smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCn1c(SCC(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)nc2sc3c(c2c1=O)CCC3 ZINC000000632068 551505482 /nfs/dbraw/zinc/50/54/82/551505482.db2.gz RCKDFDVWTCGNRS-UHFFFAOYSA-N 0 0 507.641 3.661 50 30 KHEARN COc1cc(N2CCOCC2)ccc1C=c1sc2n(c1=O)[C@H](c1c(OC)ccc3ccccc31)C(C(C)=O)=C(C)N=2 ZINC000000634786 551505902 /nfs/dbraw/zinc/50/59/02/551505902.db2.gz CDUQKYXSCULDQU-OGEXXFCLSA-N 0 0 569.683 3.831 50 30 KHEARN COc1cc(N2CCOCC2)ccc1C=c1sc2n(c1=O)[C@@H](c1c(OC)ccc3ccccc31)C(C(C)=O)=C(C)N=2 ZINC000000634791 551505822 /nfs/dbraw/zinc/50/58/22/551505822.db2.gz CDUQKYXSCULDQU-KOBOZNMDSA-N 0 0 569.683 3.831 50 30 KHEARN C=CCN1C(=O)N/C(=C/c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000000664899 551516693 /nfs/dbraw/zinc/51/66/93/551516693.db2.gz RQSNFPDDKAGFBJ-VCHYOVAHSA-N 0 0 515.307 3.829 50 30 KHEARN CNS(=O)(=O)c1cccc2c(NC(=O)[C@H](NOC(=O)Cc3ccccc3)c3ccccc3)cccc21 ZINC000000667986 551517980 /nfs/dbraw/zinc/51/79/80/551517980.db2.gz GKIHZCXDVIQUHI-AREMUKBSSA-N 0 0 503.580 3.718 50 30 KHEARN CNS(=O)(=O)c1cccc2c(NC(=O)[C@@H](NOC(=O)Cc3ccccc3)c3ccccc3)cccc21 ZINC000000667987 551518220 /nfs/dbraw/zinc/51/82/20/551518220.db2.gz GKIHZCXDVIQUHI-SANMLTNESA-N 0 0 503.580 3.718 50 30 KHEARN CCOc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)c(Br)c1OCC(N)=O ZINC000000679883 551523815 /nfs/dbraw/zinc/52/38/15/551523815.db2.gz JFPLXATYQLHHAA-FQEVSTJZSA-N 0 0 567.234 3.829 50 30 KHEARN CCOc1cc([C@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)c(Br)c1OCC(N)=O ZINC000000679884 551523810 /nfs/dbraw/zinc/52/38/10/551523810.db2.gz JFPLXATYQLHHAA-HXUWFJFHSA-N 0 0 567.234 3.829 50 30 KHEARN COc1cc([C@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(N)=O ZINC000000680000 551523806 /nfs/dbraw/zinc/52/38/06/551523806.db2.gz OVWGQWLUGNHBHX-VWLOTQADSA-N 0 0 504.587 3.505 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000000685286 1066879722 /nfs/dbraw/zinc/87/97/22/1066879722.db2.gz AZQCLFQFDPJGQV-RISWYLRJSA-N 0 0 525.586 3.939 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000000685288 1066879734 /nfs/dbraw/zinc/87/97/34/1066879734.db2.gz AZQCLFQFDPJGQV-LMSRTUJASA-N 0 0 525.586 3.939 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000000685290 551525601 /nfs/dbraw/zinc/52/56/01/551525601.db2.gz AWLZFTZJEXACDA-MFCBUNOESA-N 0 0 555.612 3.947 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000000685292 551525582 /nfs/dbraw/zinc/52/55/82/551525582.db2.gz AWLZFTZJEXACDA-SUAMDDGLSA-N 0 0 555.612 3.947 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1cc(OC)ccc1OC ZINC000000685302 551525617 /nfs/dbraw/zinc/52/56/17/551525617.db2.gz XXMCIKYOKGFHNH-MFCBUNOESA-N 0 0 555.612 3.947 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1cc(OC)ccc1OC ZINC000000685304 551525540 /nfs/dbraw/zinc/52/55/40/551525540.db2.gz XXMCIKYOKGFHNH-SUAMDDGLSA-N 0 0 555.612 3.947 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000000707537 551531790 /nfs/dbraw/zinc/53/17/90/551531790.db2.gz AZXLPILQWSAYSK-QARYAGPDSA-N 0 0 527.602 3.668 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000000707539 551531910 /nfs/dbraw/zinc/53/19/10/551531910.db2.gz AZXLPILQWSAYSK-ZSJKCPIUSA-N 0 0 527.602 3.668 50 30 KHEARN N#Cc1c(NC(=O)c2ccc(Br)c(S(=O)(=O)N3CCOCC3)c2)sc2c1CCCC2 ZINC000000713064 551533657 /nfs/dbraw/zinc/53/36/57/551533657.db2.gz SYYNFUBSRUAKGO-UHFFFAOYSA-N 0 0 510.435 3.534 50 30 KHEARN Cc1c(NC2=C(C(=O)c3ccccc3)N(C)S(=O)(=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000000716103 551534305 /nfs/dbraw/zinc/53/43/05/551534305.db2.gz QADTYDKLMHGHFH-UHFFFAOYSA-N 0 0 500.580 3.782 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000000730315 551539404 /nfs/dbraw/zinc/53/94/04/551539404.db2.gz KOPLJUDZTQEUAR-VWLOTQADSA-N 0 0 533.606 3.653 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000000730317 551539413 /nfs/dbraw/zinc/53/94/13/551539413.db2.gz KOPLJUDZTQEUAR-RUZDIDTESA-N 0 0 533.606 3.653 50 30 KHEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000730318 551539381 /nfs/dbraw/zinc/53/93/81/551539381.db2.gz WVTBBLXWBHEHAT-QFIPXVFZSA-N 0 0 509.609 3.706 50 30 KHEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1cccs1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000000730319 551539356 /nfs/dbraw/zinc/53/93/56/551539356.db2.gz WVTBBLXWBHEHAT-JOCHJYFZSA-N 0 0 509.609 3.706 50 30 KHEARN Ic1ccc(Nc2nc3no[nH]c-3nc2=NN=Cc2ccc(N3CCOCC3)cc2)cc1 ZINC000000826933 551545208 /nfs/dbraw/zinc/54/52/08/551545208.db2.gz DKCPVEYVTNDALU-YDZHTSKRSA-N 0 0 542.341 3.644 50 30 KHEARN C#CCN1C(=O)S/C(=C/c2cc(Br)c(OCC(=O)OCC)c(Br)c2)C1=O ZINC000000980219 551591789 /nfs/dbraw/zinc/59/17/89/551591789.db2.gz MFHXSRUKJFWUAJ-MDWZMJQESA-N 0 0 503.168 3.823 50 30 KHEARN CN1C(C(=O)c2ccccc2)=C(NC(=O)c2ccccc2I)c2ccccc2S1(=O)=O ZINC000000986220 551592835 /nfs/dbraw/zinc/59/28/35/551592835.db2.gz SQGRVHVJBCGZCG-UHFFFAOYSA-N 0 0 544.370 3.907 50 30 KHEARN C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1ccc(I)cc1 ZINC000000997944 551595133 /nfs/dbraw/zinc/59/51/33/551595133.db2.gz UHNJOEHRJYMNAR-UHFFFAOYSA-N 0 0 531.383 3.593 50 30 KHEARN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000001012706 551596752 /nfs/dbraw/zinc/59/67/52/551596752.db2.gz JUHWXZAXOFWDLT-CIAFOILYSA-N 0 0 542.411 3.795 50 30 KHEARN CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)c(OC)c1 ZINC000001024826 551597587 /nfs/dbraw/zinc/59/75/87/551597587.db2.gz ULTGCQWKOSKWFU-LXYLXTGBSA-N 0 0 535.666 3.696 50 30 KHEARN CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)c(OC)c1 ZINC000001024831 551597571 /nfs/dbraw/zinc/59/75/71/551597571.db2.gz ULTGCQWKOSKWFU-XGLZOBASSA-N 0 0 535.666 3.696 50 30 KHEARN CN1C(=O)N(C)[C@@]2(c3ccccc3)N=C3SC4=C(C(=O)c5ccccc5C4=O)N3N[C@@]12c1ccccc1 ZINC000001060131 551600540 /nfs/dbraw/zinc/60/05/40/551600540.db2.gz IQQMFWLPALEOJT-IZLXSDGUSA-N 0 0 507.575 3.903 50 30 KHEARN CN1C(=O)N(C)[C@@]2(c3ccccc3)NN3C(=N[C@@]12c1ccccc1)SC1=C3C(=O)c2ccccc2C1=O ZINC000001060133 551600562 /nfs/dbraw/zinc/60/05/62/551600562.db2.gz IQQMFWLPALEOJT-WUFINQPMSA-N 0 0 507.575 3.903 50 30 KHEARN CN1C(=O)N(C)[C@]2(c3ccccc3)NN3C(=N[C@@]12c1ccccc1)SC1=C3C(=O)c2ccccc2C1=O ZINC000001060135 551600867 /nfs/dbraw/zinc/60/08/67/551600867.db2.gz IQQMFWLPALEOJT-NSOVKSMOSA-N 0 0 507.575 3.903 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=O)c2ccc(OC)c(I)c2)cc1 ZINC000001060987 551600824 /nfs/dbraw/zinc/60/08/24/551600824.db2.gz KGIHRFRZTXOUGD-UHFFFAOYSA-N 0 0 512.369 3.915 50 30 KHEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@@H](CO)NC(=O)c1ccccc1 ZINC000001063542 551601501 /nfs/dbraw/zinc/60/15/01/551601501.db2.gz KRMCBDFIGJZIQL-GOSISDBHSA-N 0 0 501.406 3.665 50 30 KHEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1[C@H](CO)NC(=O)c1ccccc1 ZINC000001063544 551601524 /nfs/dbraw/zinc/60/15/24/551601524.db2.gz KRMCBDFIGJZIQL-SFHVURJKSA-N 0 0 501.406 3.665 50 30 KHEARN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000001074815 551603863 /nfs/dbraw/zinc/60/38/63/551603863.db2.gz UFVPTDCKULVJQQ-UHFFFAOYSA-N 0 0 516.421 3.896 50 30 KHEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@@H](CO)NC(=O)c1ccccc1 ZINC000001076079 551604000 /nfs/dbraw/zinc/60/40/00/551604000.db2.gz AWNSIYKACJEODM-QGZVFWFLSA-N 0 0 552.401 3.699 50 30 KHEARN C=CCn1c(SCC(=O)Nc2c(F)cc(F)cc2Br)nnc1[C@H](CO)NC(=O)c1ccccc1 ZINC000001076081 551604108 /nfs/dbraw/zinc/60/41/08/551604108.db2.gz AWNSIYKACJEODM-KRWDZBQOSA-N 0 0 552.401 3.699 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000001099075 551608185 /nfs/dbraw/zinc/60/81/85/551608185.db2.gz FNTYDAKGAMZTMZ-VWLOTQADSA-N 0 0 552.605 3.860 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2Cc2ccco2)cc1OC ZINC000001099076 551608236 /nfs/dbraw/zinc/60/82/36/551608236.db2.gz FNTYDAKGAMZTMZ-RUZDIDTESA-N 0 0 552.605 3.860 50 30 KHEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105743 551609937 /nfs/dbraw/zinc/60/99/37/551609937.db2.gz WZIQIADHFBBLAQ-DEOSSOPVSA-N 0 0 521.570 3.784 50 30 KHEARN O=C(C1=C(O)C(=O)N(Cc2cccnc2)[C@@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105744 551609793 /nfs/dbraw/zinc/60/97/93/551609793.db2.gz WZIQIADHFBBLAQ-XMMPIXPASA-N 0 0 521.570 3.784 50 30 KHEARN O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105749 551610187 /nfs/dbraw/zinc/61/01/87/551610187.db2.gz GLROGWQGWYOGQD-DEOSSOPVSA-N 0 0 521.570 3.784 50 30 KHEARN O=C(C1=C(O)C(=O)N(Cc2ccncc2)[C@@H]1c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000001105750 551610180 /nfs/dbraw/zinc/61/01/80/551610180.db2.gz GLROGWQGWYOGQD-XMMPIXPASA-N 0 0 521.570 3.784 50 30 KHEARN COC(=O)c1ccc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000001110010 551611094 /nfs/dbraw/zinc/61/10/94/551611094.db2.gz XWQCNVYKBPSWEA-QHCPKHFHSA-N 0 0 547.633 3.816 50 30 KHEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000001110011 551611083 /nfs/dbraw/zinc/61/10/83/551611083.db2.gz XWQCNVYKBPSWEA-HSZRJFAPSA-N 0 0 547.633 3.816 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)c1C ZINC000001110835 551611061 /nfs/dbraw/zinc/61/10/61/551611061.db2.gz DPJUXXJCUGIQJP-NRFANRHFSA-N 0 0 536.412 3.635 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)c1C ZINC000001110836 551611054 /nfs/dbraw/zinc/61/10/54/551611054.db2.gz DPJUXXJCUGIQJP-OAQYLSRUSA-N 0 0 536.412 3.635 50 30 KHEARN COc1cc([C@@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000001127824 551614430 /nfs/dbraw/zinc/61/44/30/551614430.db2.gz NJLMUBFQHFSUDB-OAQYLSRUSA-N 0 0 519.436 3.929 50 30 KHEARN COc1cc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1OC ZINC000001127828 551614843 /nfs/dbraw/zinc/61/48/43/551614843.db2.gz NJLMUBFQHFSUDB-NRFANRHFSA-N 0 0 519.436 3.929 50 30 KHEARN O=C(CN1C(=O)c2ccccc2C1=O)NC1=C(C(=O)c2ccccc2)N(Cc2ccccc2)S(=O)(=O)c2ccccc21 ZINC000001131921 551615970 /nfs/dbraw/zinc/61/59/70/551615970.db2.gz APXPDVDDRJGCBI-UHFFFAOYSA-N 0 0 577.618 3.855 50 30 KHEARN COc1cc([C@@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000001134554 551616568 /nfs/dbraw/zinc/61/65/68/551616568.db2.gz YBPWGMYPMJIFNA-HXUWFJFHSA-N 0 0 505.409 3.626 50 30 KHEARN COc1cc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CC(C)(C)C3)cc(Br)c1O ZINC000001134555 551616604 /nfs/dbraw/zinc/61/66/04/551616604.db2.gz YBPWGMYPMJIFNA-FQEVSTJZSA-N 0 0 505.409 3.626 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001144845 551617996 /nfs/dbraw/zinc/61/79/96/551617996.db2.gz ILJHYKOZGPLNRN-NRFANRHFSA-N 0 0 530.375 3.658 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000001144848 551617989 /nfs/dbraw/zinc/61/79/89/551617989.db2.gz ILJHYKOZGPLNRN-OAQYLSRUSA-N 0 0 530.375 3.658 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000001187483 551621478 /nfs/dbraw/zinc/62/14/78/551621478.db2.gz XDBGBOICPVYZDM-MFCBUNOESA-N 0 0 543.645 3.956 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000001187487 551621461 /nfs/dbraw/zinc/62/14/61/551621461.db2.gz XDBGBOICPVYZDM-SUAMDDGLSA-N 0 0 543.645 3.956 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000001212489 551625365 /nfs/dbraw/zinc/62/53/65/551625365.db2.gz QQIKVWAUTKAOIA-BIWBSIMWSA-N 0 0 543.645 3.956 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000001212494 551625377 /nfs/dbraw/zinc/62/53/77/551625377.db2.gz QQIKVWAUTKAOIA-ZGOFBEGVSA-N 0 0 543.645 3.956 50 30 KHEARN Cc1ccc(C(=O)Oc2cccc([C@@H]3C4=C(Nc5c3c(=O)n(C)c(=O)n5C)c3ccccc3C4=O)c2)cc1 ZINC000001218546 551627004 /nfs/dbraw/zinc/62/70/04/551627004.db2.gz TXJBEAFMZKLGJI-JOCHJYFZSA-N 0 0 505.530 3.777 50 30 KHEARN Cc1ccc(C(=O)Oc2cccc([C@H]3C4=C(Nc5c3c(=O)n(C)c(=O)n5C)c3ccccc3C4=O)c2)cc1 ZINC000001218547 551627038 /nfs/dbraw/zinc/62/70/38/551627038.db2.gz TXJBEAFMZKLGJI-QFIPXVFZSA-N 0 0 505.530 3.777 50 30 KHEARN N#C[C@@](c1ccc(Cl)cc1)(c1ccc([C@@](C#N)(c2ccc(Cl)cc2)N2CCOCC2)nn1)N1CCOCC1 ZINC000001400465 551661255 /nfs/dbraw/zinc/66/12/55/551661255.db2.gz YEQGDUDJOKCXFP-VSGBNLITSA-N 0 0 549.462 3.982 50 30 KHEARN N#C[C@](c1ccc(Cl)cc1)(c1ccc([C@](C#N)(c2ccc(Cl)cc2)N2CCOCC2)nn1)N1CCOCC1 ZINC000001400466 551661285 /nfs/dbraw/zinc/66/12/85/551661285.db2.gz YEQGDUDJOKCXFP-NSOVKSMOSA-N 0 0 549.462 3.982 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000001421893 551668599 /nfs/dbraw/zinc/66/85/99/551668599.db2.gz PNRZUYMQKYVLTE-YFNKSVMNSA-N 0 0 527.552 3.968 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccnc1 ZINC000001422407 551668510 /nfs/dbraw/zinc/66/85/10/551668510.db2.gz IOBVHZGLYFJMRI-ICDZXHCJSA-N 0 0 539.588 3.837 50 30 KHEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000001423607 551669047 /nfs/dbraw/zinc/66/90/47/551669047.db2.gz PBJHFGIUVIGZED-YFNKSVMNSA-N 0 0 527.552 3.968 50 30 KHEARN COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(Br)cc1 ZINC000001436675 551671165 /nfs/dbraw/zinc/67/11/65/551671165.db2.gz GQFMSLFZGATROV-HXUWFJFHSA-N 0 0 560.470 3.687 50 30 KHEARN COC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CC(C)(C)C2)[C@@H]1c1ccc(Br)cc1 ZINC000001436676 551671134 /nfs/dbraw/zinc/67/11/34/551671134.db2.gz GQFMSLFZGATROV-FQEVSTJZSA-N 0 0 560.470 3.687 50 30 KHEARN CCOc1cc(C#N)c(NC(=O)c2cc(S(=O)(=O)N3CCOCC3)c(Cl)cc2Cl)cc1OCC ZINC000001440693 551672939 /nfs/dbraw/zinc/67/29/39/551672939.db2.gz PGHGRJRFLRIDKV-UHFFFAOYSA-N 0 0 528.414 3.936 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000001449956 551674820 /nfs/dbraw/zinc/67/48/20/551674820.db2.gz YJSGXFFMDQWPOE-PGMHBOJBSA-N 0 0 521.643 3.856 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccccc3)CC2)SC1=S ZINC000001450031 551674845 /nfs/dbraw/zinc/67/48/45/551674845.db2.gz ASNLRDRCEPHQMY-FXBPSFAMSA-N 0 0 503.653 3.717 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3)CC2)SC1=S ZINC000001450275 551675209 /nfs/dbraw/zinc/67/52/09/551675209.db2.gz VVNVSSVMKYKTQV-PGMHBOJBSA-N 0 0 503.653 3.717 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000001451383 551675656 /nfs/dbraw/zinc/67/56/56/551675656.db2.gz YJAUAOCKYPQHGZ-SILNSSARSA-N 0 0 507.616 3.547 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3F)CC2)SC1=S ZINC000001451399 551676050 /nfs/dbraw/zinc/67/60/50/551676050.db2.gz OZDSNNMXAXPVBH-QNGOZBTKSA-N 0 0 521.643 3.856 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000001451560 552077991 /nfs/dbraw/zinc/07/79/91/552077991.db2.gz STNLCOOUTXPFIH-DEOSSOPVSA-N 0 0 551.441 3.854 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000001451561 552078009 /nfs/dbraw/zinc/07/80/09/552078009.db2.gz STNLCOOUTXPFIH-XMMPIXPASA-N 0 0 551.441 3.854 50 30 KHEARN O=C(CCN(/N=C/c1cc2c(cc1Cl)OCO2)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 ZINC000001461815 551679517 /nfs/dbraw/zinc/67/95/17/551679517.db2.gz XMYQIRLQMAGYAY-VULFUBBASA-N 0 0 517.007 3.693 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Cl)cc2)cc1 ZINC000001469798 551680151 /nfs/dbraw/zinc/68/01/51/551680151.db2.gz PTPUIOSNPCLOLL-QFIPXVFZSA-N 0 0 511.987 3.764 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Cl)cc2)cc1 ZINC000001469799 551680093 /nfs/dbraw/zinc/68/00/93/551680093.db2.gz PTPUIOSNPCLOLL-JOCHJYFZSA-N 0 0 511.987 3.764 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001742370 551691770 /nfs/dbraw/zinc/69/17/70/551691770.db2.gz NQSJAHMELFEAGQ-QKSFETHESA-N 0 0 571.567 3.685 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001742383 551691760 /nfs/dbraw/zinc/69/17/60/551691760.db2.gz NQSJAHMELFEAGQ-ZDQFFALBSA-N 0 0 571.567 3.685 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001779835 551698129 /nfs/dbraw/zinc/69/81/29/551698129.db2.gz RNTNJGCJZFGHOR-LJJBLSSYSA-N 0 0 508.983 3.543 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001779839 551698119 /nfs/dbraw/zinc/69/81/19/551698119.db2.gz RNTNJGCJZFGHOR-CVGPFBNFSA-N 0 0 508.983 3.543 50 30 KHEARN COc1ccc(S(=O)(=O)N2c3ccccc3C(=C3SC(=NS(=O)(=O)c4ccc(C)cc4)NC3=O)C2=O)cc1 ZINC000001784777 551698936 /nfs/dbraw/zinc/69/89/36/551698936.db2.gz XIIQGLQLEUYTKR-DQRAZIAOSA-N 0 0 569.642 3.898 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000001789367 551701270 /nfs/dbraw/zinc/70/12/70/551701270.db2.gz QCCJLLYKFVYIJS-PIJNJCDPSA-N 0 0 595.633 3.513 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000001789371 551701334 /nfs/dbraw/zinc/70/13/34/551701334.db2.gz QCCJLLYKFVYIJS-ORDRXGECSA-N 0 0 595.633 3.513 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001804942 551704359 /nfs/dbraw/zinc/70/43/59/551704359.db2.gz HRAPEKUBVSFGCT-LJJBLSSYSA-N 0 0 508.983 3.543 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001804946 551704364 /nfs/dbraw/zinc/70/43/64/551704364.db2.gz HRAPEKUBVSFGCT-CVGPFBNFSA-N 0 0 508.983 3.543 50 30 KHEARN C=CCn1c(SCCCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nc2sc3c(c2c1=O)CCCC3 ZINC000001805039 551704525 /nfs/dbraw/zinc/70/45/25/551704525.db2.gz LIYILWMRHKDYMQ-UHFFFAOYSA-N 0 0 518.686 3.681 50 30 KHEARN N#Cc1nc2c(nc1C#N)n(CCc1ccccc1)c(N)c2-c1nc2ccc(Br)cc2c(=O)[nH]1 ZINC000001806038 551704552 /nfs/dbraw/zinc/70/45/52/551704552.db2.gz AVVHZFMOXRQJBZ-UHFFFAOYSA-N 0 0 511.343 3.666 50 30 KHEARN COc1cccc(CCn2c(N)c(-c3nc4ccc(Br)cc4c(=O)[nH]3)c3nc(C#N)c(C#N)nc32)c1 ZINC000001806040 551704521 /nfs/dbraw/zinc/70/45/21/551704521.db2.gz OPHWEPBYFIYDRV-UHFFFAOYSA-N 0 0 541.369 3.674 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000001811059 551705497 /nfs/dbraw/zinc/70/54/97/551705497.db2.gz VHDKMFJJICBIAU-NQCZSQBNSA-N 0 0 517.651 3.819 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000001811061 551705442 /nfs/dbraw/zinc/70/54/42/551705442.db2.gz VHDKMFJJICBIAU-INZJWMLVSA-N 0 0 517.651 3.819 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001811441 551706557 /nfs/dbraw/zinc/70/65/57/551706557.db2.gz QXRHLMSOVRPNPI-LJJBLSSYSA-N 0 0 508.983 3.543 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001811444 551706527 /nfs/dbraw/zinc/70/65/27/551706527.db2.gz QXRHLMSOVRPNPI-CVGPFBNFSA-N 0 0 508.983 3.543 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000001813848 551706946 /nfs/dbraw/zinc/70/69/46/551706946.db2.gz VPGWSSOHFCNRFU-QQYUXEJHSA-N 0 0 527.646 3.609 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OC)=C(C)N=3)C1=O ZINC000001813850 551706964 /nfs/dbraw/zinc/70/69/64/551706964.db2.gz VPGWSSOHFCNRFU-MYXKAAJQSA-N 0 0 527.646 3.609 50 30 KHEARN C=CCN1C(=O)/C(=C2\c3ccccc3N(CC(=O)Nc3ccc(C(=O)OCC)cc3)C2=O)SC1=S ZINC000001813863 551706965 /nfs/dbraw/zinc/70/69/65/551706965.db2.gz FCIMQWYFKKPVGS-MRCUWXFGSA-N 0 0 507.593 3.606 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001836794 551712652 /nfs/dbraw/zinc/71/26/52/551712652.db2.gz NVQBNQORWVIWNW-HPFVHPJRSA-N 0 0 569.639 3.843 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000001836796 551712645 /nfs/dbraw/zinc/71/26/45/551712645.db2.gz NVQBNQORWVIWNW-WHNPURCTSA-N 0 0 569.639 3.843 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000001836910 551712640 /nfs/dbraw/zinc/71/26/40/551712640.db2.gz CIVMPZHCYVYWTJ-LJJBLSSYSA-N 0 0 553.434 3.652 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000001836912 551712669 /nfs/dbraw/zinc/71/26/69/551712669.db2.gz CIVMPZHCYVYWTJ-CVGPFBNFSA-N 0 0 553.434 3.652 50 30 KHEARN CCCCCN1C(C(=O)c2ccccc2)=C(NC(=O)CN2C(=O)c3ccccc3C2=O)c2ccccc2S1(=O)=O ZINC000001845407 551714657 /nfs/dbraw/zinc/71/46/57/551714657.db2.gz BBHGXTPTFMBIBF-UHFFFAOYSA-N 0 0 557.628 3.845 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000001845488 551714592 /nfs/dbraw/zinc/71/45/92/551714592.db2.gz YCMCCYUTSAKJKQ-IGSWSUAKSA-N 0 0 583.460 3.661 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000001845497 551714595 /nfs/dbraw/zinc/71/45/95/551714595.db2.gz YCMCCYUTSAKJKQ-YMSBRDKKSA-N 0 0 583.460 3.661 50 30 KHEARN O=C(N=C(Nc1ccccc1)Nc1nc(CSc2nnnn2-c2ccccc2)cc(=O)[nH]1)c1ccccc1 ZINC000001852059 551715648 /nfs/dbraw/zinc/71/56/48/551715648.db2.gz OROMXWMZKFYROH-UHFFFAOYSA-N 0 0 523.582 3.758 50 30 KHEARN O=C(Nc1nnc(/N=C/c2ccc([N+](=O)[O-])s2)s1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000001883242 551724599 /nfs/dbraw/zinc/72/45/99/551724599.db2.gz RTFZMUTVRCEKFB-UDWIEESQSA-N 0 0 506.591 3.685 50 30 KHEARN C=CCn1c(SCC(=O)Nc2sc3c(c2C(N)=O)CCC3)nc2sc3c(c2c1=O)CCCC3 ZINC000001895057 551727313 /nfs/dbraw/zinc/72/73/13/551727313.db2.gz MPOSOXRVNLIMJT-UHFFFAOYSA-N 0 0 500.671 3.903 50 30 KHEARN C=CCn1c(SCC(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)nc2sc(C)c(C)c2c1=O ZINC000001896093 551728007 /nfs/dbraw/zinc/72/80/07/551728007.db2.gz BGCPTODAXGLKGS-UHFFFAOYSA-N 0 0 501.586 3.565 50 30 KHEARN C=CCn1c(SCC(=O)Nc2sc(C(=O)OC)c(C)c2C(=O)OC)nc2sc(C)c(C)c2c1=O ZINC000001896122 551727984 /nfs/dbraw/zinc/72/79/84/551727984.db2.gz XJXIGLAMSQHIJZ-UHFFFAOYSA-N 0 0 521.642 3.935 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OCC)c4)c(=O)n32)cc1 ZINC000002049334 551737113 /nfs/dbraw/zinc/73/71/13/551737113.db2.gz WWJUWHPRXXAFSL-DBXPASCUSA-N 0 0 562.644 3.687 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC(C)=O)c(OCC)c4)c(=O)n32)cc1 ZINC000002049336 551737112 /nfs/dbraw/zinc/73/71/12/551737112.db2.gz WWJUWHPRXXAFSL-CMISJSSVSA-N 0 0 562.644 3.687 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(C)c(OC)c4)c(=O)n32)cc1 ZINC000002049349 551737094 /nfs/dbraw/zinc/73/70/94/551737094.db2.gz YBKJHTHALWBFRK-ZDQFFALBSA-N 0 0 504.608 3.680 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(C)c(OC)c4)c(=O)n32)cc1 ZINC000002049351 551737108 /nfs/dbraw/zinc/73/71/08/551737108.db2.gz YBKJHTHALWBFRK-QKSFETHESA-N 0 0 504.608 3.680 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)cc4C)c(=O)n32)cc1 ZINC000002049365 551737238 /nfs/dbraw/zinc/73/72/38/551737238.db2.gz IYOBEDXNNKXRJM-ZDQFFALBSA-N 0 0 504.608 3.680 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)cc4C)c(=O)n32)cc1 ZINC000002049367 551737275 /nfs/dbraw/zinc/73/72/75/551737275.db2.gz IYOBEDXNNKXRJM-QKSFETHESA-N 0 0 504.608 3.680 50 30 KHEARN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000002049624 551737884 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30 KHEARN CCCCCOc1ccc(/C=c2/s/c(=C(/C#N)C(=O)NCc3ccco3)n(-c3ccccc3)c2=O)cc1 ZINC000002226189 551796770 /nfs/dbraw/zinc/79/67/70/551796770.db2.gz CQXACDBGCVURCV-IMIYWQHTSA-N 0 0 513.619 3.880 50 30 KHEARN N#C/C(C(=O)NCc1ccco1)=c1/s/c(=C\c2ccc(-c3ccc(F)cc3)o2)c(=O)n1-c1ccccc1 ZINC000002231413 551797760 /nfs/dbraw/zinc/79/77/60/551797760.db2.gz SKDWZGBZWJZSPB-SYVFJETJSA-N 0 0 511.534 3.711 50 30 KHEARN CCCOc1ccccc1/C=c1\s/c(=C(/C#N)C(=O)Nc2ccccc2OC)n(-c2ccccc2)c1=O ZINC000002234788 551798142 /nfs/dbraw/zinc/79/81/42/551798142.db2.gz QISLMOIGTLASFS-VOBFKNOGSA-N 0 0 511.603 3.838 50 30 KHEARN Cc1c(C#N)c(=O)n(C)c(N2C[C@@H](C)O[C@H](C)C2)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000002245987 551799687 /nfs/dbraw/zinc/79/96/87/551799687.db2.gz PENSHCSGJVNHFA-URPPBFRUSA-N 0 0 512.632 3.720 50 30 KHEARN C=CCN1C(=O)/C(=C\c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000002248082 551800447 /nfs/dbraw/zinc/80/04/47/551800447.db2.gz WUEPKDSVFWCMLZ-RCCKNPSSSA-N 0 0 521.643 3.856 50 30 KHEARN COC(=O)c1ccc(/C=N/n2c(N)c(C(=O)NCCc3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000002251082 551801553 /nfs/dbraw/zinc/80/15/53/551801553.db2.gz PATOPHYNGKBANH-VTNSRFBWSA-N 0 0 522.565 3.817 50 30 KHEARN COc1ccc(CCNC(=O)c2c(N)n(/N=C/c3cccc([N+](=O)[O-])c3)c3nc4ccccc4nc32)cc1 ZINC000002251262 552083281 /nfs/dbraw/zinc/08/32/81/552083281.db2.gz PHYDNWOBFRJNDG-OKCVXOCRSA-N 0 0 509.526 3.938 50 30 KHEARN C=CCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000002253237 551801954 /nfs/dbraw/zinc/80/19/54/551801954.db2.gz LYDMXYZUNLBWTA-LTGZKZEYSA-N 0 0 521.643 3.856 50 30 KHEARN COC(=O)c1ccc(/C=N/n2c(N)c(C(=O)NCc3ccc(OC)cc3)c3nc4ccccc4nc32)cc1 ZINC000002255813 552083547 /nfs/dbraw/zinc/08/35/47/552083547.db2.gz IZCVBECNBCCXBH-WCMJOSRZSA-N 0 0 508.538 3.774 50 30 KHEARN Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000002286741 551807071 /nfs/dbraw/zinc/80/70/71/551807071.db2.gz FTRBXVJQSLIVGG-IZHUBRMMSA-N 0 0 527.810 3.969 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002288509 551807280 /nfs/dbraw/zinc/80/72/80/551807280.db2.gz AZIVFFXPTNKYDH-QCHPHUCNSA-N 0 0 510.999 3.635 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Cl)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002288511 551807236 /nfs/dbraw/zinc/80/72/36/551807236.db2.gz AZIVFFXPTNKYDH-VZIOXZNFSA-N 0 0 510.999 3.635 50 30 KHEARN O=C(N(Cc1ccc(F)cc1)[C@H]1CC(=O)N(c2nccs2)C1=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000002296366 552089529 /nfs/dbraw/zinc/08/95/29/552089529.db2.gz BDTYLVCMLOWOHZ-NSHDSACASA-N 0 0 501.355 3.776 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000002301085 551808053 /nfs/dbraw/zinc/80/80/53/551808053.db2.gz GEMMAWJAXWIANJ-QCHPHUCNSA-N 0 0 526.973 3.682 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000002301087 551808101 /nfs/dbraw/zinc/80/81/01/551808101.db2.gz GEMMAWJAXWIANJ-VZIOXZNFSA-N 0 0 526.973 3.682 50 30 KHEARN Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(CCCc3ccccc3)c2c(=O)[nH]c1=O ZINC000002306306 552090325 /nfs/dbraw/zinc/09/03/25/552090325.db2.gz KJIXBTOLMSTWMR-UIKGHELNSA-N 0 0 507.392 3.890 50 30 KHEARN Cc1c(C#N)c(=O)n(C)c(N2CCSCC2)c1/C=C1\SC(=S)N(CCCc2ccccc2)C1=O ZINC000002336888 552097079 /nfs/dbraw/zinc/09/70/79/552097079.db2.gz KILOLJRTMDPYAR-QNGOZBTKSA-N 0 0 510.710 3.953 50 30 KHEARN COc1ccc(CCN2C(=O)[C@](NC(=O)c3ccncc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000002374769 552106146 /nfs/dbraw/zinc/10/61/46/552106146.db2.gz BICDHZHYYPOWHL-SANMLTNESA-N 0 0 531.531 3.858 50 30 KHEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3ccncc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000002374770 552106082 /nfs/dbraw/zinc/10/60/82/552106082.db2.gz BICDHZHYYPOWHL-AREMUKBSSA-N 0 0 531.531 3.858 50 30 KHEARN CCOc1ccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3ccc(OCC)cc3)n(-c3ccccc3)c2=O)cc1 ZINC000002390064 552108899 /nfs/dbraw/zinc/10/88/99/552108899.db2.gz PNILGGGYPCGMCT-VGFZMYFXSA-N 0 0 511.603 3.838 50 30 KHEARN 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0 0 505.530 3.777 50 30 KHEARN Cc1ccc(C(=O)Oc2ccc([C@H]3C4=C(Nc5c3c(=O)n(C)c(=O)n5C)c3ccccc3C4=O)cc2)cc1 ZINC000002407867 552112818 /nfs/dbraw/zinc/11/28/18/552112818.db2.gz YFHIJJMAMGDNKX-QFIPXVFZSA-N 0 0 505.530 3.777 50 30 KHEARN COc1ccc(C=Nn2c(=O)[nH]c3c4cc(Br)ccc4[nH]c3c2=O)cc1COc1ccccn1 ZINC000002414762 552114479 /nfs/dbraw/zinc/11/44/79/552114479.db2.gz ADNRDBDBPHHNNT-KKMKTNMSSA-N 0 0 520.343 3.798 50 30 KHEARN CCCN1c2nc3c(C)cccn3c(=O)c2C=C(C(=O)OCC)/C1=C/C(=O)c1cc(OC)cc(OC)c1 ZINC000002429828 552117503 /nfs/dbraw/zinc/11/75/03/552117503.db2.gz WEWBOICTDALTPN-KQWNVCNZSA-N 0 0 503.555 3.963 50 30 KHEARN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(OC)c(CN3C(=O)c4ccccc4C3=O)c2)c1=O ZINC000002438667 552119209 /nfs/dbraw/zinc/11/92/09/552119209.db2.gz GWTMGPJWIDCJCT-VVEOGCPPSA-N 0 0 507.506 3.573 50 30 KHEARN COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/NS(=O)(=O)c2ccccc2)cc1OC ZINC000002585039 552131170 /nfs/dbraw/zinc/13/11/70/552131170.db2.gz IPRRLBPBLQUKML-ZVHZXABRSA-N 0 0 519.373 3.998 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000002613127 552136490 /nfs/dbraw/zinc/13/64/90/552136490.db2.gz XVDNLPRKKSQEHD-QCHPHUCNSA-N 0 0 555.450 3.744 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000002613129 552136579 /nfs/dbraw/zinc/13/65/79/552136579.db2.gz XVDNLPRKKSQEHD-VZIOXZNFSA-N 0 0 555.450 3.744 50 30 KHEARN CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)Nc3sccc3C#N)c2)cc1 ZINC000002630226 552139750 /nfs/dbraw/zinc/13/97/50/552139750.db2.gz KBIAXHPTAZQGNU-UHFFFAOYSA-N 0 0 513.597 3.948 50 30 KHEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)OCC(=O)N(C)CCC#N)ccc1Cl ZINC000002635054 552140738 /nfs/dbraw/zinc/14/07/38/552140738.db2.gz MWCMBWMJCOGSEI-UHFFFAOYSA-N 0 0 510.399 3.904 50 30 KHEARN COc1ccccc1NC(=S)NN=Cc1ccc(-c2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)o1 ZINC000002636776 1066536765 /nfs/dbraw/zinc/53/67/65/1066536765.db2.gz WPUUEEXPRGEKEX-UHFFFAOYSA-N 0 0 508.585 3.867 50 30 KHEARN N#Cc1c(NC(=O)COC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)sc2c1CCCCC2 ZINC000002638871 552141823 /nfs/dbraw/zinc/14/18/23/552141823.db2.gz LHVZLMPXSSSKEC-UHFFFAOYSA-N 0 0 513.597 3.756 50 30 KHEARN C[C@H]1CCc2c(C#N)c(NC(=O)COC(=O)CCNS(=O)(=O)c3cccc(C(F)(F)F)c3)sc2C1 ZINC000002643245 552143844 /nfs/dbraw/zinc/14/38/44/552143844.db2.gz VOMKEYGOTVHASI-ZDUSSCGKSA-N 0 0 529.562 3.614 50 30 KHEARN C[C@@H]1CCc2c(C#N)c(NC(=O)COC(=O)CCNS(=O)(=O)c3cccc(C(F)(F)F)c3)sc2C1 ZINC000002643246 552143852 /nfs/dbraw/zinc/14/38/52/552143852.db2.gz VOMKEYGOTVHASI-CYBMUJFWSA-N 0 0 529.562 3.614 50 30 KHEARN N#Cc1c(NC(=O)COC(=O)c2cccc(S(=O)(=O)NCc3ccccc3)c2)sc2c1CCCC2 ZINC000002653367 552147629 /nfs/dbraw/zinc/14/76/29/552147629.db2.gz IJUQICGGANZATI-UHFFFAOYSA-N 0 0 509.609 3.773 50 30 KHEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000002654900 552148419 /nfs/dbraw/zinc/14/84/19/552148419.db2.gz UZTIRZAOWFDEFG-QHCPKHFHSA-N 0 0 520.611 3.736 50 30 KHEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 ZINC000002654902 552148401 /nfs/dbraw/zinc/14/84/01/552148401.db2.gz UZTIRZAOWFDEFG-HSZRJFAPSA-N 0 0 520.611 3.736 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000002665656 552151495 /nfs/dbraw/zinc/15/14/95/552151495.db2.gz BDYNJWDPLZPUHP-PGFYKJRFSA-N 0 0 577.662 3.890 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(Cc4ccccc4)C3=O)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000002665658 552151483 /nfs/dbraw/zinc/15/14/83/552151483.db2.gz BDYNJWDPLZPUHP-SUUDBTLLSA-N 0 0 577.662 3.890 50 30 KHEARN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1 ZINC000002671893 552153364 /nfs/dbraw/zinc/15/33/64/552153364.db2.gz XRRGPQKCABAHQE-UPWSPCOFSA-N 0 0 576.671 3.933 50 30 KHEARN C=CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1 ZINC000002671895 552153393 /nfs/dbraw/zinc/15/33/93/552153393.db2.gz 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CC1(C)Oc2ccc3ccc(=O)oc3c2C(=CNCCNC=C2C(=O)C(C)(C)Oc3ccc4ccc(=O)oc4c32)C1=O ZINC000002905921 552212949 /nfs/dbraw/zinc/21/29/49/552212949.db2.gz AOGWQERLAXTZQI-IKBKFCNISA-N 0 0 568.582 3.941 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000002918544 552218706 /nfs/dbraw/zinc/21/87/06/552218706.db2.gz MLVCMEMTTLSKFF-ZDQFFALBSA-N 0 0 504.608 3.680 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000002918547 552218690 /nfs/dbraw/zinc/21/86/90/552218690.db2.gz MLVCMEMTTLSKFF-QKSFETHESA-N 0 0 504.608 3.680 50 30 KHEARN COc1ccccc1NC(=S)N/N=C1/c2ccccc2N(CN2CCN(c3ccccc3)CC2)C1=O ZINC000002923665 552222118 /nfs/dbraw/zinc/22/21/18/552222118.db2.gz YMPHTXNOSYFRPD-GNVQSUKOSA-N 0 0 500.628 3.512 50 30 KHEARN COc1cccc(NC(=S)N/N=C2/c3ccccc3N(CN3CCN(c4ccccc4F)CC3)C2=O)c1 ZINC000002923704 552222081 /nfs/dbraw/zinc/22/20/81/552222081.db2.gz QSSSQUWISBLTFN-JVCXMKTPSA-N 0 0 518.618 3.651 50 30 KHEARN C=CCc1ccccc1OCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OC ZINC000002947891 552228252 /nfs/dbraw/zinc/22/82/52/552228252.db2.gz MDJYHCOMCYXFAZ-UHFFFAOYSA-N 0 0 517.401 3.558 50 30 KHEARN Cc1ccc(S(=O)(=O)N/N=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000002949292 552228705 /nfs/dbraw/zinc/22/87/05/552228705.db2.gz OULRLCASCCMWBX-LPYMAVHISA-N 0 0 554.400 3.746 50 30 KHEARN CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(OC)cc1OC)c(=O)n2Cc1ccccc1C#N ZINC000002957009 552232190 /nfs/dbraw/zinc/23/21/90/552232190.db2.gz VYEZOSWPXXVEHW-UHFFFAOYSA-N 0 0 532.622 3.942 50 30 KHEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=N/n2cnnc2)cc1OC ZINC000002965797 552235899 /nfs/dbraw/zinc/23/58/99/552235899.db2.gz RQXAJLQVVPWGOW-DHRITJCHSA-N 0 0 504.328 3.960 50 30 KHEARN COc1ccc(CCNC(=O)c2ccc(Cn3c(SCC#N)nc4cc5c(cc4c3=O)OCO5)cc2)cc1OC ZINC000002975664 552247452 /nfs/dbraw/zinc/24/74/52/552247452.db2.gz GDICIUAFLNRWIP-UHFFFAOYSA-N 0 0 558.616 3.779 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000002997252 552251812 /nfs/dbraw/zinc/25/18/12/552251812.db2.gz AOJNFZVMYPROCE-SJJVXOANSA-N 0 0 513.619 3.948 50 30 KHEARN C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000002997254 552251824 /nfs/dbraw/zinc/25/18/24/552251824.db2.gz AOJNFZVMYPROCE-GTWFGUSFSA-N 0 0 513.619 3.948 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(C)C3)cc1 ZINC000003006912 552254331 /nfs/dbraw/zinc/25/43/31/552254331.db2.gz HTLDAVRBPLVVLB-UHFFFAOYSA-N 0 0 503.646 3.528 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(CC)C3)cc1 ZINC000003007009 552254609 /nfs/dbraw/zinc/25/46/09/552254609.db2.gz WKSMLDLDMDQETA-UHFFFAOYSA-N 0 0 503.646 3.528 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(C)C)C3)cc1 ZINC000003007126 552254892 /nfs/dbraw/zinc/25/48/92/552254892.db2.gz ZDGPNAJVOLQMHC-UHFFFAOYSA-N 0 0 517.673 3.916 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2ccc(C)cc2)C1=O ZINC000003037180 552271814 /nfs/dbraw/zinc/27/18/14/552271814.db2.gz LXFXZWWYKZUXRR-VYIQYICTSA-N 0 0 511.673 3.639 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2ccccc2C)C1=O ZINC000003037188 552271751 /nfs/dbraw/zinc/27/17/51/552271751.db2.gz WQDVUYWKYBHZHX-VYIQYICTSA-N 0 0 511.673 3.639 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2ccccc2CC)C1=O ZINC000003037193 552271801 /nfs/dbraw/zinc/27/18/01/552271801.db2.gz YZRPUNIXNCTCGI-COOPMVRXSA-N 0 0 525.700 3.893 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2ccc(C)c(C)c2)C1=O ZINC000003037198 552271772 /nfs/dbraw/zinc/27/17/72/552271772.db2.gz UBPAGGUIVWPVPV-COOPMVRXSA-N 0 0 525.700 3.947 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2c(C)cccc2C)C1=O ZINC000003037206 552271755 /nfs/dbraw/zinc/27/17/55/552271755.db2.gz HFPKKISRKFXWCP-COOPMVRXSA-N 0 0 525.700 3.947 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2cc(C)ccc2C)C1=O ZINC000003037208 552271808 /nfs/dbraw/zinc/27/18/08/552271808.db2.gz WPJSUNMUROVYGC-COOPMVRXSA-N 0 0 525.700 3.947 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2cc(C)cc(C)c2)C1=O ZINC000003037210 552271786 /nfs/dbraw/zinc/27/17/86/552271786.db2.gz SDFDPJFKDMDKJR-COOPMVRXSA-N 0 0 525.700 3.947 50 30 KHEARN C=CCN1c2ccc(S(=O)(=O)N3CCC(C)CC3)cc2/C(=N/NC(=S)Nc2ccc(CC)cc2)C1=O ZINC000003037215 552271818 /nfs/dbraw/zinc/27/18/18/552271818.db2.gz ULEGLZXGQWBGKV-COOPMVRXSA-N 0 0 525.700 3.893 50 30 KHEARN Cc1cccc(NC(=S)N/N=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000003037683 552272027 /nfs/dbraw/zinc/27/20/27/552272027.db2.gz RHBHAXVKDFMOSQ-JVCXMKTPSA-N 0 0 584.123 3.907 50 30 KHEARN O=C1/C(=N\NC(=S)Nc2ccccc2F)c2cc(S(=O)(=O)N3CCOCC3)ccc2N1Cc1ccc(Cl)cc1 ZINC000003037687 552272001 /nfs/dbraw/zinc/27/20/01/552272001.db2.gz VLOGCZFDURZXIM-KRUMMXJUSA-N 0 0 588.086 3.738 50 30 KHEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3ccccc3C)C2=O)cc1 ZINC000003037706 552271955 /nfs/dbraw/zinc/27/19/55/552271955.db2.gz PFEVYXZJLOENIC-BXVZCJGGSA-N 0 0 563.705 3.562 50 30 KHEARN CSc1cccc(NC(=S)N/N=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(Cc3ccc(C)cc3)C2=O)c1 ZINC000003037718 552271977 /nfs/dbraw/zinc/27/19/77/552271977.db2.gz JCNPCVGAROEYOG-BXVZCJGGSA-N 0 0 595.772 3.975 50 30 KHEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3cc(C)ccc3C)C2=O)cc1 ZINC000003037722 552271992 /nfs/dbraw/zinc/27/19/92/552271992.db2.gz GJPYTNHMXALXKS-QVTSOHHYSA-N 0 0 577.732 3.870 50 30 KHEARN C=CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O ZINC000003052322 552278656 /nfs/dbraw/zinc/27/86/56/552278656.db2.gz LJCRNNXILRURFT-UHFFFAOYSA-N 0 0 525.030 3.548 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)N3CCOCC3)cc2nc1SCC(=O)c1ccc(Br)cc1 ZINC000003052329 552278691 /nfs/dbraw/zinc/27/86/91/552278691.db2.gz HHAZZIZZKLCPBD-UHFFFAOYSA-N 0 0 528.428 3.792 50 30 KHEARN C=CCn1c(SCC(=O)c2ccc(Br)cc2)nc2cc(C(=O)N3CCC(C(N)=O)CC3)ccc2c1=O ZINC000003052394 552278815 /nfs/dbraw/zinc/27/88/15/552278815.db2.gz VUPIZWACMXMNSI-UHFFFAOYSA-N 0 0 569.481 3.658 50 30 KHEARN CN(c1ncc(C(F)(F)F)cc1Cl)n1cc(C#N)c(=O)n(CCOc2cccc(C(F)(F)F)c2)c1=O ZINC000003116911 552290682 /nfs/dbraw/zinc/29/06/82/552290682.db2.gz LDHAGAQHRWONSA-UHFFFAOYSA-N 0 0 533.816 3.946 50 30 KHEARN CN(c1ncc(C(F)(F)F)cc1Cl)n1cc(C#N)c(=O)n(Cc2ncc(C(F)(F)F)cc2Cl)c1=O ZINC000003116914 552290674 /nfs/dbraw/zinc/29/06/74/552290674.db2.gz BCIHZRCRHHSLAS-UHFFFAOYSA-N 0 0 539.223 3.964 50 30 KHEARN Cc1ccc(S(=O)(=O)OCCOc2ccccc2OCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000003123308 552291261 /nfs/dbraw/zinc/29/12/61/552291261.db2.gz YGDKRYNTGOUJKA-UHFFFAOYSA-N 0 0 506.598 3.872 50 30 KHEARN C=CCn1c(CNS(=O)(=O)c2ccc(Br)cc2)nnc1SCCOc1ccccc1 ZINC000003125400 552291618 /nfs/dbraw/zinc/29/16/18/552291618.db2.gz GALYYDBKMSTDGH-UHFFFAOYSA-N 0 0 509.451 3.876 50 30 KHEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1cccc(S(=O)(=O)NCc2ccccc2)c1 ZINC000003176278 552299827 /nfs/dbraw/zinc/29/98/27/552299827.db2.gz FUUGXAHBFTYSJD-UHFFFAOYSA-N 0 0 540.667 3.668 50 30 KHEARN CN(CC#N)c1ccc(C2OCC3(CCC4(COC(c5ccc(N(C)CC#N)cc5)OC4)C3=O)CO2)cc1 ZINC000003194243 552302918 /nfs/dbraw/zinc/30/29/18/552302918.db2.gz BLUXEVSYGJXRKP-UHFFFAOYSA-N 0 0 516.598 3.733 50 30 KHEARN N#CCCN(C(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)o1)c1ccccc1 ZINC000003222816 552311238 /nfs/dbraw/zinc/31/12/38/552311238.db2.gz QYTDLMXBSNFHBX-UHFFFAOYSA-N 0 0 511.629 3.950 50 30 KHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000003223354 552311451 /nfs/dbraw/zinc/31/14/51/552311451.db2.gz BEQMEOSJTQIPPO-XQNSMLJCSA-N 0 0 540.667 3.730 50 30 KHEARN COc1cccc(NC(=O)COC(=O)c2ccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)cc2)c1 ZINC000003266640 552329449 /nfs/dbraw/zinc/32/94/49/552329449.db2.gz FJFLSLLEVGWMBE-UHFFFAOYSA-N 0 0 514.563 3.817 50 30 KHEARN CCCCCCCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1ccc(Cl)cc1 ZINC000003266902 552329444 /nfs/dbraw/zinc/32/94/44/552329444.db2.gz RJCAECKREWKBRW-UHFFFAOYSA-N 0 0 519.071 3.914 50 30 KHEARN CC[C@@H](C)n1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003288233 552338924 /nfs/dbraw/zinc/33/89/24/552338924.db2.gz NCVFFHDPSNSSRR-GOSISDBHSA-N 0 0 540.671 3.539 50 30 KHEARN CC[C@H](C)n1c(SCC(=O)Nc2ccc(C#N)cc2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000003288235 552338900 /nfs/dbraw/zinc/33/89/00/552338900.db2.gz NCVFFHDPSNSSRR-SFHVURJKSA-N 0 0 540.671 3.539 50 30 KHEARN COC[C@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)C(C(=O)OC)=C1Nc2ccccc2N1 ZINC000003295023 552342253 /nfs/dbraw/zinc/34/22/53/552342253.db2.gz NWQICQIGUJEUHV-HNNXBMFYSA-N 0 0 527.578 3.787 50 30 KHEARN COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCC(=O)C(C(=O)OC)=C1Nc2ccccc2N1 ZINC000003295025 552342196 /nfs/dbraw/zinc/34/21/96/552342196.db2.gz NWQICQIGUJEUHV-OAHLLOKOSA-N 0 0 527.578 3.787 50 30 KHEARN CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC(=O)Nc3sccc3C#N)c2)CC1 ZINC000003295921 552342977 /nfs/dbraw/zinc/34/29/77/552342977.db2.gz UDSYTIIKOVTGQG-UHFFFAOYSA-N 0 0 526.434 3.598 50 30 KHEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1 ZINC000003302108 552346430 /nfs/dbraw/zinc/34/64/30/552346430.db2.gz BFUOJXPQLHMTNF-UHFFFAOYSA-N 0 0 506.580 3.823 50 30 KHEARN COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1 ZINC000003302319 552346730 /nfs/dbraw/zinc/34/67/30/552346730.db2.gz JGUVNHWVMULOMG-UHFFFAOYSA-N 0 0 507.568 3.624 50 30 KHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 ZINC000003306235 552349040 /nfs/dbraw/zinc/34/90/40/552349040.db2.gz MSIURKLQBUQING-UHFFFAOYSA-N 0 0 529.534 3.717 50 30 KHEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O ZINC000003309479 552350517 /nfs/dbraw/zinc/35/05/17/552350517.db2.gz AVBWIRHAYYXWNG-VWLOTQADSA-N 0 0 544.633 3.783 50 30 KHEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000003309676 552350891 /nfs/dbraw/zinc/35/08/91/552350891.db2.gz MZSFUYCZPGGDGM-UHFFFAOYSA-N 0 0 537.619 3.567 50 30 KHEARN Cc1c(-n2c(SCC(=O)Nc3sccc3C#N)nc3ccccc3c2=O)c(=O)n(-c2ccccc2)n1C ZINC000003317731 552354476 /nfs/dbraw/zinc/35/44/76/552354476.db2.gz UVCNVCNNGDIWKZ-UHFFFAOYSA-N 0 0 528.619 3.848 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)[C@@H](C#N)c2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)cc1 ZINC000003321342 552355532 /nfs/dbraw/zinc/35/55/32/552355532.db2.gz WTXFMPGWQWEHGH-DEOSSOPVSA-N 0 0 515.551 3.968 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)[C@H](C#N)c2nc3ccccc3nc2NCc2ccc3c(c2)OCO3)cc1 ZINC000003321344 552355520 /nfs/dbraw/zinc/35/55/20/552355520.db2.gz WTXFMPGWQWEHGH-XMMPIXPASA-N 0 0 515.551 3.968 50 30 KHEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 ZINC000003331698 552359572 /nfs/dbraw/zinc/35/95/72/552359572.db2.gz PMVMNGQKASQZGJ-UHFFFAOYSA-N 0 0 553.662 3.903 50 30 KHEARN CCOC(=O)c1sc(N)c(C#N)c1COC(=O)c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O ZINC000003335973 552361013 /nfs/dbraw/zinc/36/10/13/552361013.db2.gz ZVDNEJIBCIPJMC-UHFFFAOYSA-N 0 0 503.536 3.574 50 30 KHEARN N#Cc1ccc(COC(=O)C2(c3ccccc3)CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)cc1 ZINC000003339984 552362403 /nfs/dbraw/zinc/36/24/03/552362403.db2.gz IIKMDRDNKVGNMK-UHFFFAOYSA-N 0 0 518.591 3.795 50 30 KHEARN N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c32)CC1 ZINC000003356686 552369253 /nfs/dbraw/zinc/36/92/53/552369253.db2.gz ZMNYOLVAGJYOGJ-UHFFFAOYSA-N 0 0 560.705 3.573 50 30 KHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 ZINC000003358217 552369816 /nfs/dbraw/zinc/36/98/16/552369816.db2.gz FNINIBFBFYBFIU-UHFFFAOYSA-N 0 0 504.593 3.548 50 30 KHEARN C=CCn1c(SCc2nc(CC(=O)Nc3ccccc3OC)no2)nc2sc3c(c2c1=O)CCC3 ZINC000003390867 552379229 /nfs/dbraw/zinc/37/92/29/552379229.db2.gz VJZIWSCKPOHGTR-UHFFFAOYSA-N 0 0 509.613 3.998 50 30 KHEARN O=C(Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003396261 552379872 /nfs/dbraw/zinc/37/98/72/552379872.db2.gz OALDYJYXOIUNNU-UHFFFAOYSA-N 0 0 552.678 3.941 50 30 KHEARN CSCC[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1nc2ccccc2c(=O)n1CC#N ZINC000003431313 552385233 /nfs/dbraw/zinc/38/52/33/552385233.db2.gz QEBSAQXTZVVGJF-QFIPXVFZSA-N 0 0 506.628 3.812 50 30 KHEARN CSCC[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCc1nc2ccccc2c(=O)n1CC#N ZINC000003431315 552385195 /nfs/dbraw/zinc/38/51/95/552385195.db2.gz QEBSAQXTZVVGJF-JOCHJYFZSA-N 0 0 506.628 3.812 50 30 KHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000003431578 552385634 /nfs/dbraw/zinc/38/56/34/552385634.db2.gz DYVZRRBGHYHXIB-UHFFFAOYSA-N 0 0 528.546 3.537 50 30 KHEARN COc1ccc(-c2cc(C(=O)N3CCN(S(=O)(=O)c4ccccc4C#N)CC3)c3ccccc3n2)cc1 ZINC000003433448 552385799 /nfs/dbraw/zinc/38/57/99/552385799.db2.gz ALWWSSODQBDLNJ-UHFFFAOYSA-N 0 0 512.591 3.929 50 30 KHEARN CCOC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@H]1c1cc(Br)cs1 ZINC000003619661 552392861 /nfs/dbraw/zinc/39/28/61/552392861.db2.gz CIKRGOROFDLZGK-LJQANCHMSA-N 0 0 552.472 3.502 50 30 KHEARN CCOC(=O)C1=C(N)N(c2ccc(S(N)(=O)=O)cc2)C2=C(C(=O)CCC2)[C@@H]1c1cc(Br)cs1 ZINC000003619664 552392932 /nfs/dbraw/zinc/39/29/32/552392932.db2.gz CIKRGOROFDLZGK-IBGZPJMESA-N 0 0 552.472 3.502 50 30 KHEARN Cc1ccc(C)c(-n2c(=O)/c(=C/c3ccc(N(C)C)cc3)s/c2=C(/C#N)S(=O)(=O)c2ccccc2)c1 ZINC000003637897 552399256 /nfs/dbraw/zinc/39/92/56/552399256.db2.gz LIBXFQCWTWNEHU-XXQMBOJJSA-N 0 0 515.660 3.516 50 30 KHEARN CC1(C)CC2=C(C(=O)C1)[C@@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(=O)N2CCc1ccccc1 ZINC000003641258 552399885 /nfs/dbraw/zinc/39/98/85/552399885.db2.gz JYIIMWWAESHYOG-DEOSSOPVSA-N 0 0 506.546 3.994 50 30 KHEARN CC1(C)CC2=C(C(=O)C1)[C@](NS(=O)(=O)c1ccccc1)(C(F)(F)F)C(=O)N2CCc1ccccc1 ZINC000003641262 552399869 /nfs/dbraw/zinc/39/98/69/552399869.db2.gz JYIIMWWAESHYOG-XMMPIXPASA-N 0 0 506.546 3.994 50 30 KHEARN O=c1[nH]c(=O)n(-c2ccc(F)cc2)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1cccc([N+](=O)[O-])c1)N2 ZINC000003641297 552399846 /nfs/dbraw/zinc/39/98/46/552399846.db2.gz QQHRWXVNZJQVNR-UHFFFAOYSA-N 0 0 517.317 3.575 50 30 KHEARN CC(=C1C(=O)c2ccccc2C1=O)N1CCN(CCNC=C2C(=O)CC(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000003771168 552416283 /nfs/dbraw/zinc/41/62/83/552416283.db2.gz KFMKUIYLQRVAEZ-UHFFFAOYSA-N 0 0 532.040 3.800 50 30 KHEARN COC(=O)c1ccc(NC(=S)N=C(NCS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2)cc1 ZINC000003892783 552421873 /nfs/dbraw/zinc/42/18/73/552421873.db2.gz IEXFDZDJUGPATO-UHFFFAOYSA-N 0 0 511.625 3.955 50 30 KHEARN CC(=O)OCC(=O)[C@@]12OC3(CCCC3)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C ZINC000003977777 552424201 /nfs/dbraw/zinc/42/42/01/552424201.db2.gz ILKJAFIWWBXGDU-MOGDOJJUSA-N 0 0 502.579 3.524 50 30 fda KHEARN CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)=NNc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000004013052 552425890 /nfs/dbraw/zinc/42/58/90/552425890.db2.gz XYQCQOSBCHYXJZ-MHTZHOPKSA-N 0 0 568.586 3.769 50 30 KHEARN COc1c(I)cc(I)cc1CN=Nc1nc(NCc2ccccc2)nc(N2CCOCC2)n1 ZINC000004017852 552428802 /nfs/dbraw/zinc/42/88/02/552428802.db2.gz FMBIMXHNKRGPQT-VULFUBBASA-N 0 0 671.281 3.984 50 30 KHEARN Cc1ccc(Nc2nc(=NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(N3CCOCC3)[nH]2)c(Br)c1 ZINC000004043491 552430369 /nfs/dbraw/zinc/43/03/69/552430369.db2.gz REIYOIGNBGTCLI-BHGWPJFGSA-N 0 0 557.365 3.606 50 30 KHEARN Clc1ccc(Sc2ccccc2CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000004178791 552446164 /nfs/dbraw/zinc/44/61/64/552446164.db2.gz NEPRUSJTWYFKOO-YZSQISJMSA-N 0 0 512.039 3.795 50 30 KHEARN CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000004212137 552449588 /nfs/dbraw/zinc/44/95/88/552449588.db2.gz CIWBQSYVNNPZIQ-XYWKZLDCSA-N 0 0 504.595 3.818 50 30 in-man KHEARN CCCC(=O)O[C@]1(C(=O)COC(C)=O)CC[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C ZINC000004212945 552449505 /nfs/dbraw/zinc/44/95/05/552449505.db2.gz WYQPLTPSGFELIB-JTQPXKBDSA-N 0 0 508.558 3.520 50 30 fda KHEARN O=C(Oc1ccc(/C=N/NS(=O)(=O)c2ccccc2)cc1)c1ccccc1I ZINC000004372598 552458475 /nfs/dbraw/zinc/45/84/75/552458475.db2.gz ATJQTXMRNNGHPY-HYARGMPZSA-N 0 0 506.321 3.823 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000004396034 552458761 /nfs/dbraw/zinc/45/87/61/552458761.db2.gz MWIBUYOFBJINGY-QHCPKHFHSA-N 0 0 521.526 3.650 50 30 KHEARN CCOc1ccc(NC(=O)/C(C#N)=c2/s/c(=C/c3ccccc3OCC)c(=O)n2-c2ccccc2)cc1 ZINC000004473644 552461661 /nfs/dbraw/zinc/46/16/61/552461661.db2.gz GTZSUZLNZYPJGI-BYHPHFLXSA-N 0 0 511.603 3.838 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(Br)c1 ZINC000004642209 552470342 /nfs/dbraw/zinc/47/03/42/552470342.db2.gz SFLBDFYSSMXWOP-QFIPXVFZSA-N 0 0 563.470 3.848 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(Br)c1 ZINC000004642210 552470394 /nfs/dbraw/zinc/47/03/94/552470394.db2.gz SFLBDFYSSMXWOP-JOCHJYFZSA-N 0 0 563.470 3.848 50 30 KHEARN Cc1ccc(S(=O)(=O)NN=C2CC3(C)CC(=NNS(=O)(=O)c4ccc(C)cc4)CC3(C)C2)cc1 ZINC000004643827 552470418 /nfs/dbraw/zinc/47/04/18/552470418.db2.gz JXLXGFXQGCHFPC-UHFFFAOYSA-N 0 0 502.662 3.872 50 30 KHEARN C=C(C)C(=O)OC[C@@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)COC(=O)C(=C)C)cc2)cc1 ZINC000004655155 552471378 /nfs/dbraw/zinc/47/13/78/552471378.db2.gz AMFGWXWBFGVCKG-ZEQRLZLVSA-N 0 0 512.599 3.731 50 30 in-vitro KHEARN C=C(C)C(=O)OC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@@H](O)COC(=O)C(=C)C)cc2)cc1 ZINC000004655156 552471469 /nfs/dbraw/zinc/47/14/69/552471469.db2.gz AMFGWXWBFGVCKG-DNQXCXABSA-N 0 0 512.599 3.731 50 30 in-vitro KHEARN Cn1c2nc(N=NCc3cc(Br)ccc3O)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000005221659 552495066 /nfs/dbraw/zinc/49/50/66/552495066.db2.gz LNQWAXJBHVDCHB-WKULSOCRSA-N 0 0 559.424 3.907 50 30 biogenic KHEARN CC(N=Nc1nc2c(c(=O)[nH]c(=O)n2C)n1Cc1cccc(Br)c1)c1ccc(Cl)cc1 ZINC000005295058 552496527 /nfs/dbraw/zinc/49/65/27/552496527.db2.gz WMTJWAUSUMBFLN-ZRGSRPPYSA-N 0 0 501.772 3.724 50 30 KHEARN Cc1ccc(Cn2c(N=NCc3ccc(OCc4ccccc4)cc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000005356424 552499224 /nfs/dbraw/zinc/49/92/24/552499224.db2.gz ZNCLMOMYPQNVEJ-OCSSWDANSA-N 0 0 508.582 3.815 50 30 KHEARN Cc1ccc(Cn2c(N=NC=C(Br)Cc3ccccc3)nc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000005360195 552499616 /nfs/dbraw/zinc/49/96/16/552499616.db2.gz GCTDVOASQOEEPN-YDZYREFVSA-N 0 0 507.392 3.624 50 30 KHEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000005918698 552511813 /nfs/dbraw/zinc/51/18/13/552511813.db2.gz KEYXNOACNAIKIN-HHHXNRCGSA-N 0 0 536.625 3.937 50 30 KHEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000005918729 552511694 /nfs/dbraw/zinc/51/16/94/552511694.db2.gz KEYXNOACNAIKIN-MHZLTWQESA-N 0 0 536.625 3.937 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000005927692 552513114 /nfs/dbraw/zinc/51/31/14/552513114.db2.gz ZQNUUDBZBKFBLG-AREMUKBSSA-N 0 0 506.599 3.869 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000005927790 552513042 /nfs/dbraw/zinc/51/30/42/552513042.db2.gz ZQNUUDBZBKFBLG-SANMLTNESA-N 0 0 506.599 3.869 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000005929080 552513332 /nfs/dbraw/zinc/51/33/32/552513332.db2.gz NZDCTYHPNOXCPP-QFIPXVFZSA-N 0 0 556.438 3.873 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006057204 552520938 /nfs/dbraw/zinc/52/09/38/552520938.db2.gz GFPKGKRODFLBQO-RUZDIDTESA-N 0 0 535.622 3.899 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2C(=O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000006057245 552520829 /nfs/dbraw/zinc/52/08/29/552520829.db2.gz NZDCTYHPNOXCPP-JOCHJYFZSA-N 0 0 556.438 3.873 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000006079845 552529987 /nfs/dbraw/zinc/52/99/87/552529987.db2.gz ORTFQCKGQOUGRB-FQEVSTJZSA-N 0 0 527.426 3.859 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000006079846 552530055 /nfs/dbraw/zinc/53/00/55/552530055.db2.gz ORTFQCKGQOUGRB-HXUWFJFHSA-N 0 0 527.426 3.859 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000006079939 552530099 /nfs/dbraw/zinc/53/00/99/552530099.db2.gz UDWFHMFUOLMPGY-VWLOTQADSA-N 0 0 536.606 3.954 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000006079943 552530094 /nfs/dbraw/zinc/53/00/94/552530094.db2.gz UDWFHMFUOLMPGY-RUZDIDTESA-N 0 0 536.606 3.954 50 30 KHEARN CCOc1cc(Br)cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)c1O ZINC000006089702 552532746 /nfs/dbraw/zinc/53/27/46/552532746.db2.gz HUODSRLGZFVIOJ-ZVHZXABRSA-N 0 0 514.384 3.765 50 30 KHEARN COc1cc(S(=O)(=O)N2CCOCC2)ccc1NC(=NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 ZINC000006131707 552535257 /nfs/dbraw/zinc/53/52/57/552535257.db2.gz BOZMOMJRWURHJK-UHFFFAOYSA-N 0 0 550.058 3.617 50 30 KHEARN Cc1c(N2C(=O)/C(=C3/c4ccccc4NC3=O)S/C2=N\N=C2\c3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000006142535 552543971 /nfs/dbraw/zinc/54/39/71/552543971.db2.gz QIBQJLVSWYUUKN-BBTYYQCJSA-N 0 0 575.610 3.640 50 30 KHEARN O=C1c2ccccc2C(=O)C(N2CCN(/C=C/c3ccccc3)CC2)=C1NS(=O)(=O)c1cccs1 ZINC000006142889 552544195 /nfs/dbraw/zinc/54/41/95/552544195.db2.gz HZHAXIFSACAPSZ-OUKQBFOZSA-N 0 0 505.621 3.606 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000006143972 552545459 /nfs/dbraw/zinc/54/54/59/552545459.db2.gz ZRAQBAFDBKTICO-JOCHJYFZSA-N 0 0 515.404 3.758 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000006143973 552545484 /nfs/dbraw/zinc/54/54/84/552545484.db2.gz ZRAQBAFDBKTICO-QFIPXVFZSA-N 0 0 515.404 3.758 50 30 KHEARN CCOC(=O)N1CCc2c(C#N)c3nc4ccccc4n3c(-c3ccc(S(=O)(=O)N(C)C)cc3)c2C1 ZINC000006144075 552545474 /nfs/dbraw/zinc/54/54/74/552545474.db2.gz ZEZIJOWGAMOZEE-UHFFFAOYSA-N 0 0 503.584 3.791 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C(O)C(=O)N2Cc2cccnc2)cc1 ZINC000006150604 552551432 /nfs/dbraw/zinc/55/14/32/552551432.db2.gz GFPKGKRODFLBQO-VWLOTQADSA-N 0 0 535.622 3.899 50 30 KHEARN N#C[C@@H](C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000006150906 552551414 /nfs/dbraw/zinc/55/14/14/552551414.db2.gz KGBVWIBSJREALX-JOCHJYFZSA-N 0 0 524.556 3.748 50 30 KHEARN N#C[C@H](C(=O)NCc1ccc2c(c1)OCO2)c1nc2ccccc2nc1N1CCN(c2ccc(F)cc2)CC1 ZINC000006150909 552551408 /nfs/dbraw/zinc/55/14/08/552551408.db2.gz KGBVWIBSJREALX-QFIPXVFZSA-N 0 0 524.556 3.748 50 30 KHEARN C=CCn1c(CCCN2C(=O)c3cccc4cccc(c43)C2=O)nnc1SCC(=O)NCc1cccnc1 ZINC000006151131 552551800 /nfs/dbraw/zinc/55/18/00/552551800.db2.gz IZQHPDWJANCAFT-UHFFFAOYSA-N 0 0 526.622 3.650 50 30 KHEARN O=C1c2ccccc2C(=O)C(N2CCN(c3ccccc3F)CC2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006161718 552554303 /nfs/dbraw/zinc/55/43/03/552554303.db2.gz HVSWTGMQJOOBHH-UHFFFAOYSA-N 0 0 570.440 3.980 50 30 KHEARN COc1ccc(CN=Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCOCC3)n2)cc1OC ZINC000006162700 552555432 /nfs/dbraw/zinc/55/54/32/552555432.db2.gz KFYOJRZNNNAWBW-MZJWZYIUSA-N 0 0 503.485 3.934 50 30 KHEARN COc1ccc(CCN=C(Nc2nc(C)cc(C)n2)NS(=O)(=O)c2ccc(Br)cc2)cc1OC ZINC000006166525 552556650 /nfs/dbraw/zinc/55/66/50/552556650.db2.gz CPNDIRGVKXKSRQ-UHFFFAOYSA-N 0 0 548.463 3.671 50 30 KHEARN C=CCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000006168058 552558269 /nfs/dbraw/zinc/55/82/69/552558269.db2.gz AZXLPILQWSAYSK-JAYSWQADSA-N 0 0 527.602 3.668 50 30 KHEARN C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000006168068 552558340 /nfs/dbraw/zinc/55/83/40/552558340.db2.gz AZXLPILQWSAYSK-KEQCBNTKSA-N 0 0 527.602 3.668 50 30 KHEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)ccc1O ZINC000006195188 552567034 /nfs/dbraw/zinc/56/70/34/552567034.db2.gz ALGXVULAXFRGAS-ZMOGYAJESA-N 0 0 514.384 3.683 50 30 KHEARN COc1ccc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)cc1OC ZINC000006195189 552567083 /nfs/dbraw/zinc/56/70/83/552567083.db2.gz RELPWZPBBGCJPW-AFUMVMLFSA-N 0 0 528.411 3.986 50 30 KHEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)ccc1OC(C)=O ZINC000006195190 552567121 /nfs/dbraw/zinc/56/71/21/552567121.db2.gz SHCGPQSNABGSNN-VULFUBBASA-N 0 0 556.421 3.903 50 30 KHEARN Cc1ccc(Nc2nc(N=NCc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)c(Br)c1 ZINC000006195205 552567126 /nfs/dbraw/zinc/56/71/26/552567126.db2.gz AYSNYSIKBAMSMA-WYMPLXKRSA-N 0 0 512.368 3.697 50 30 KHEARN CN(C)c1ccc(/N=C2\C=C(NC(=O)c3ccco3)C(=O)C=C2NC(=O)c2cccc([S@@](=O)OF)c2)cc1 ZINC000006287055 552578393 /nfs/dbraw/zinc/57/83/93/552578393.db2.gz VREMNSJWNYQFHW-IUKQTKBXSA-N 0 0 536.541 3.552 50 30 KHEARN CN(C)c1ccc(/N=C2\C=C(NC(=O)c3ccco3)C(=O)C=C2NC(=O)c2cccc([S@](=O)OF)c2)cc1 ZINC000006287056 552578372 /nfs/dbraw/zinc/57/83/72/552578372.db2.gz VREMNSJWNYQFHW-XTANSONZSA-N 0 0 536.541 3.552 50 30 KHEARN C/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000006303726 552580725 /nfs/dbraw/zinc/58/07/25/552580725.db2.gz OSADPTRBWCANDT-BLPIEKRXSA-N 0 0 526.684 3.873 50 30 KHEARN Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(Cc3ccccc3Cl)c2c(=O)[nH]c1=O ZINC000006444776 552587141 /nfs/dbraw/zinc/58/71/41/552587141.db2.gz YCSGEPMDAOWKBH-KTRUABRBSA-N 0 0 513.783 3.959 50 30 KHEARN O=[N+]([O-])c1cc(C=NN=c2nc3[nH]onc-3nc2Nc2ccc(I)cc2)ccc1N1CCOCC1 ZINC000006444949 552587442 /nfs/dbraw/zinc/58/74/42/552587442.db2.gz BWGNHDWBVDIABW-FSJBWODESA-N 0 0 587.338 3.552 50 30 KHEARN Cn1c2nc(NN=C3c4cc(Br)ccc4NC3=O)n(Cc3ccccc3)c2c(=O)n(Cc2ccccc2)c1=O ZINC000006444964 552587482 /nfs/dbraw/zinc/58/74/82/552587482.db2.gz CUXVPXANLLJXNM-UHFFFAOYSA-N 0 0 584.434 3.524 50 30 KHEARN Ic1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000006473866 552591965 /nfs/dbraw/zinc/59/19/65/552591965.db2.gz OCMHEKUMDIMWLC-HYARGMPZSA-N 0 0 501.332 3.502 50 30 KHEARN COc1cc(C=CNC(N)=N[N+](=O)[O-])cc(I)c1OCc1ccc(Cl)cc1 ZINC000006603459 552606307 /nfs/dbraw/zinc/60/63/07/552606307.db2.gz ZDNRTGAAJUDVHR-VOTSOKGWSA-N 0 0 502.696 3.599 50 30 KHEARN COc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000006906943 552978658 /nfs/dbraw/zinc/97/86/58/552978658.db2.gz LBGCWHPDNMRSAZ-MUFRIFMGSA-N 0 0 574.469 3.885 50 30 KHEARN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@H]([C@@H]1OC(=O)CCCCCCC)[C@@](C)(OC(C)=O)C[C@H](OC(=O)CCC)[C@@]1(O)[C@H]2OC(=O)[C@@]1(C)O ZINC000008195655 508282039 /nfs/dbraw/zinc/28/20/39/508282039.db2.gz IXFPJGBNCFXKPI-FSIHEZPISA-N 0 0 650.762 3.928 50 30 in-vivo KHEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000008383699 552987132 /nfs/dbraw/zinc/98/71/32/552987132.db2.gz XUYOVKLJFQCIFA-HHHXNRCGSA-N 0 0 552.624 3.556 50 30 KHEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000008383701 552987539 /nfs/dbraw/zinc/98/75/39/552987539.db2.gz XUYOVKLJFQCIFA-MHZLTWQESA-N 0 0 552.624 3.556 50 30 KHEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000008383794 552987642 /nfs/dbraw/zinc/98/76/42/552987642.db2.gz FVVSDAYSCGHZQU-MUUNZHRXSA-N 0 0 566.651 3.946 50 30 KHEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000008383797 552987714 /nfs/dbraw/zinc/98/77/14/552987714.db2.gz FVVSDAYSCGHZQU-NDEPHWFRSA-N 0 0 566.651 3.946 50 30 KHEARN N#Cc1ccccc1COc1c(I)cc(/C=C2/NC(=O)NC2=O)cc1I ZINC000008383863 552987723 /nfs/dbraw/zinc/98/77/23/552987723.db2.gz BXQOQNPUCAIFFQ-VIZOYTHASA-N 0 0 571.112 3.527 50 30 KHEARN C#CCN1C(=O)S/C(=C/c2cc(I)c(OC)c(I)c2)C1=O ZINC000008384043 552988741 /nfs/dbraw/zinc/98/87/41/552988741.db2.gz UYAFTBNODKLFRE-YRNVUSSQSA-N 0 0 525.105 3.574 50 30 KHEARN O=C1C(Br)=C[C@@H](N2CCN(c3ccccc3)CC2)[C@H]1C1C(=O)OC2(CCCCC2)OC1=O ZINC000008385679 552991070 /nfs/dbraw/zinc/99/10/70/552991070.db2.gz RLFVQRWTJKOELN-MOPGFXCFSA-N 0 0 503.393 3.658 50 30 KHEARN O=C1C(Br)=C[C@H](N2CCN(c3ccccc3)CC2)[C@H]1C1C(=O)OC2(CCCCC2)OC1=O ZINC000008385681 552991057 /nfs/dbraw/zinc/99/10/57/552991057.db2.gz RLFVQRWTJKOELN-OALUTQOASA-N 0 0 503.393 3.658 50 30 KHEARN O=C1C(Br)=C[C@@H](N2CCN(c3ccccc3)CC2)[C@@H]1C1C(=O)OC2(CCCCC2)OC1=O ZINC000008385683 552991075 /nfs/dbraw/zinc/99/10/75/552991075.db2.gz RLFVQRWTJKOELN-RTBURBONSA-N 0 0 503.393 3.658 50 30 KHEARN O=C1C(Br)=C[C@H](N2CCN(c3ccccc3)CC2)[C@@H]1C1C(=O)OC2(CCCCC2)OC1=O ZINC000008385685 552991052 /nfs/dbraw/zinc/99/10/52/552991052.db2.gz RLFVQRWTJKOELN-RBUKOAKNSA-N 0 0 503.393 3.658 50 30 KHEARN COc1cc(/C=N/N=C2\NC(=O)[C@@H](C)S2)ccc1OS(=O)(=O)c1cc(Br)ccc1Br ZINC000008387079 552993334 /nfs/dbraw/zinc/99/33/34/552993334.db2.gz RRXKOIOOJRZKDI-PRMNVEQPSA-N 0 0 577.276 3.929 50 30 KHEARN COc1cc(/C=N/N=C2\NC(=O)[C@H](C)S2)ccc1OS(=O)(=O)c1cc(Br)ccc1Br ZINC000008387080 552993328 /nfs/dbraw/zinc/99/33/28/552993328.db2.gz RRXKOIOOJRZKDI-LUKZVCJISA-N 0 0 577.276 3.929 50 30 KHEARN 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ZINC000008432922 553027472 /nfs/dbraw/zinc/02/74/72/553027472.db2.gz AYEPZHONXQNGPO-DNQXCXABSA-N 0 0 518.609 3.897 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000008433203 553028215 /nfs/dbraw/zinc/02/82/15/553028215.db2.gz CDMDEDSAZSSXGZ-HHHXNRCGSA-N 0 0 519.642 3.926 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000008433204 553028293 /nfs/dbraw/zinc/02/82/93/553028293.db2.gz CDMDEDSAZSSXGZ-MHZLTWQESA-N 0 0 519.642 3.926 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000008433206 553028197 /nfs/dbraw/zinc/02/81/97/553028197.db2.gz UWUMMSQABAMXJU-QPJBPQEWSA-N 0 0 586.622 3.794 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000008433229 553028227 /nfs/dbraw/zinc/02/82/27/553028227.db2.gz SJLAODHSZCVKNK-HHHXNRCGSA-N 0 0 519.642 3.926 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000008433230 553028207 /nfs/dbraw/zinc/02/82/07/553028207.db2.gz SJLAODHSZCVKNK-MHZLTWQESA-N 0 0 519.642 3.926 50 30 KHEARN C=CCn1c(=O)c(=C2Sc3ccccc3N2CC)sc1=C1C(=O)N(CC)C(=S)N1c1ccccc1 ZINC000008435457 553030575 /nfs/dbraw/zinc/03/05/75/553030575.db2.gz ASJOPWNKROIDMT-UHFFFAOYSA-N 0 0 520.705 3.556 50 30 KHEARN NS(=O)(=O)c1ccc(/N=C2\NC(=O)/C(=C\c3cc(Br)ccc3OCC(=O)NCCc3ccccc3)S2)cc1 ZINC000008437739 553032000 /nfs/dbraw/zinc/03/20/00/553032000.db2.gz BGWUPRFPGZTZAJ-HZHRSRAPSA-N 0 0 615.531 3.726 50 30 KHEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000008438488 553034292 /nfs/dbraw/zinc/03/42/92/553034292.db2.gz VCPKHOKRVIGHIF-MUFRIFMGSA-N 0 0 574.520 3.710 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000008438642 553034761 /nfs/dbraw/zinc/03/47/61/553034761.db2.gz PGTHUSBBNJWIFP-GTWFGUSFSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000008438643 553034942 /nfs/dbraw/zinc/03/49/42/553034942.db2.gz PGTHUSBBNJWIFP-SJJVXOANSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000008438645 553034904 /nfs/dbraw/zinc/03/49/04/553034904.db2.gz AODLDDLKZSWKFC-OGRZUZBBSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000008438647 553034884 /nfs/dbraw/zinc/03/48/84/553034884.db2.gz AODLDDLKZSWKFC-ASSGYOTOSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008438665 553034954 /nfs/dbraw/zinc/03/49/54/553034954.db2.gz DJFKYMBXHFTOPW-ZGOFBEGVSA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008438667 553034971 /nfs/dbraw/zinc/03/49/71/553034971.db2.gz DJFKYMBXHFTOPW-BIWBSIMWSA-N 0 0 564.660 3.779 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000008440912 553038954 /nfs/dbraw/zinc/03/89/54/553038954.db2.gz GIIIIVKIWKBPQU-RUZDIDTESA-N 0 0 512.603 3.932 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCN2CCOCC2)ccc1OCCC(C)C ZINC000008440915 553038960 /nfs/dbraw/zinc/03/89/60/553038960.db2.gz GIIIIVKIWKBPQU-VWLOTQADSA-N 0 0 512.603 3.932 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000008441347 553040688 /nfs/dbraw/zinc/04/06/88/553040688.db2.gz SVEADNYQHLBLRO-RUZDIDTESA-N 0 0 506.555 3.751 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000008441350 553040674 /nfs/dbraw/zinc/04/06/74/553040674.db2.gz SVEADNYQHLBLRO-VWLOTQADSA-N 0 0 506.555 3.751 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000008441405 553040660 /nfs/dbraw/zinc/04/06/60/553040660.db2.gz PHYBJCDXCMOAAP-YOQPTCTGSA-N 0 0 509.555 3.793 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000008441413 553040634 /nfs/dbraw/zinc/04/06/34/553040634.db2.gz PHYBJCDXCMOAAP-YIEPVFBUSA-N 0 0 509.555 3.793 50 30 KHEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008442983 553045122 /nfs/dbraw/zinc/04/51/22/553045122.db2.gz UEDRDMZMLFKUMK-QFIPXVFZSA-N 0 0 523.542 3.965 50 30 KHEARN CCOC(=O)C1=C(N)N(c2ccc([N+](=O)[O-])cc2)C2=C(C(=O)CCC2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000008442985 553045078 /nfs/dbraw/zinc/04/50/78/553045078.db2.gz UEDRDMZMLFKUMK-JOCHJYFZSA-N 0 0 523.542 3.965 50 30 KHEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008443338 553046077 /nfs/dbraw/zinc/04/60/77/553046077.db2.gz UYNXXXRGUKEKBB-SEXPAEGTSA-N 0 0 613.486 3.863 50 30 KHEARN C=CCOc1c(Br)cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008443339 553046017 /nfs/dbraw/zinc/04/60/17/553046017.db2.gz UYNXXXRGUKEKBB-XOBACGFXSA-N 0 0 613.486 3.863 50 30 KHEARN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008444881 553052143 /nfs/dbraw/zinc/05/21/43/553052143.db2.gz LKJOPRLLMTZJBQ-ABBNRAPFSA-N 0 0 530.646 3.942 50 30 KHEARN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008444883 553052221 /nfs/dbraw/zinc/05/22/21/553052221.db2.gz LKJOPRLLMTZJBQ-CSJROMOCSA-N 0 0 530.646 3.942 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000008445283 553053641 /nfs/dbraw/zinc/05/36/41/553053641.db2.gz HHOYTLAXLFMHCY-LJJBLSSYSA-N 0 0 632.476 3.682 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(I)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000008445284 553053688 /nfs/dbraw/zinc/05/36/88/553053688.db2.gz HHOYTLAXLFMHCY-CVGPFBNFSA-N 0 0 632.476 3.682 50 30 KHEARN COc1cc([C@@H]2C(C(=O)Nc3cc(C)ccn3)=C(C)NC3=C2C(=O)CC(C)(C)C3)ccc1OCC(N)=O ZINC000008450376 553058364 /nfs/dbraw/zinc/05/83/64/553058364.db2.gz OVWGQWLUGNHBHX-RUZDIDTESA-N 0 0 504.587 3.505 50 30 KHEARN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000008451535 553061533 /nfs/dbraw/zinc/06/15/33/553061533.db2.gz LEYDGIZTYRPUAD-AHQATDLNSA-N 0 0 550.636 3.956 50 30 KHEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000008452203 553063154 /nfs/dbraw/zinc/06/31/54/553063154.db2.gz LZVDKQFKHRWIAU-OWXSRONMSA-N 0 0 564.660 3.648 50 30 KHEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000008452204 553063144 /nfs/dbraw/zinc/06/31/44/553063144.db2.gz LZVDKQFKHRWIAU-ZMIGGIFCSA-N 0 0 564.660 3.648 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000008452215 553063095 /nfs/dbraw/zinc/06/30/95/553063095.db2.gz DKGGGZASZXJBTA-LBKCIFGTSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000008452217 553063106 /nfs/dbraw/zinc/06/31/06/553063106.db2.gz DKGGGZASZXJBTA-QXHVWWCLSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008452290 553063586 /nfs/dbraw/zinc/06/35/86/553063586.db2.gz XXWLPTLHQRDHNE-KMBIYUNPSA-N 0 0 534.634 3.689 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(C)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000008452291 553063544 /nfs/dbraw/zinc/06/35/44/553063544.db2.gz XXWLPTLHQRDHNE-GVMLUORFSA-N 0 0 534.634 3.689 50 30 KHEARN COc1cc(OC(=O)c2cccc(Br)c2)ccc1CN=Nc1nc(N2CCCC2)nc(N2CCOCC2)n1 ZINC000008453803 553066909 /nfs/dbraw/zinc/06/69/09/553066909.db2.gz WOZRDMGNDNISPJ-OGLMXYFKSA-N 0 0 582.459 3.745 50 30 KHEARN CO/N=C1\C(=O)N(C)c2c1nc1n2cc(-c2ccc(Br)cc2)n1-c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000008466674 553075703 /nfs/dbraw/zinc/07/57/03/553075703.db2.gz IBMVOHZCXCMLNX-ANYBSYGZSA-N 0 0 560.412 3.679 50 30 KHEARN N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)c1 ZINC000008601059 553096137 /nfs/dbraw/zinc/09/61/37/553096137.db2.gz WLAHKNZHZZYEAF-UHFFFAOYSA-N 0 0 506.628 3.677 50 30 KHEARN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccccc1 ZINC000008648679 553106995 /nfs/dbraw/zinc/10/69/95/553106995.db2.gz WAZCOJBCBIKJNU-HQYJEEOUSA-N 0 0 540.590 3.780 50 30 KHEARN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OC(=O)c1ccccc1 ZINC000008648680 553107003 /nfs/dbraw/zinc/10/70/03/553107003.db2.gz WAZCOJBCBIKJNU-NTTIBTAJSA-N 0 0 540.590 3.780 50 30 KHEARN Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccccc4Br)n(Cc4ccco4)c3nc12 ZINC000008664894 553109294 /nfs/dbraw/zinc/10/92/94/553109294.db2.gz AOZSYBGAQUVJPQ-QUPMIFSKSA-N 0 0 514.339 3.974 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(c4ccc(F)cc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000008671240 553110275 /nfs/dbraw/zinc/11/02/75/553110275.db2.gz FTGYNSZAHPFKRK-GDWJVWIDSA-N 0 0 548.596 3.859 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CSc2nc3c(cc2C#N)C(=O)CC(C)(C)C3)c1 ZINC000008692374 553118257 /nfs/dbraw/zinc/11/82/57/553118257.db2.gz XPAKFPHZGDUJLG-UHFFFAOYSA-N 0 0 507.037 3.743 50 30 KHEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccco1 ZINC000008694740 553120451 /nfs/dbraw/zinc/12/04/51/553120451.db2.gz XWFYCMLBBAODQW-WPWMEQJKSA-N 0 0 515.530 3.719 50 30 KHEARN CCOc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccccc1Cl ZINC000008694754 553120606 /nfs/dbraw/zinc/12/06/06/553120606.db2.gz SIUDYFSSCFPOFS-RDRPBHBLSA-N 0 0 554.051 3.622 50 30 KHEARN C=CCOc1c(Br)cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1Br ZINC000008694772 553120665 /nfs/dbraw/zinc/12/06/65/553120665.db2.gz QGLQIWBONVGPAG-ZVHZXABRSA-N 0 0 567.286 3.844 50 30 KHEARN Fc1ccccc1COc1ccc(Cl)cc1C=NN=c1cc(N2CCOCC2)[nH]c(N2CCOCC2)n1 ZINC000008722612 553130159 /nfs/dbraw/zinc/13/01/59/553130159.db2.gz ZQMPVQDUEDSRHN-STBIYBPSSA-N 0 0 527.000 3.967 50 30 KHEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008743219 553133510 /nfs/dbraw/zinc/13/35/10/553133510.db2.gz QFCAESWJMYPWEK-CJJGVWJISA-N 0 0 520.626 3.899 50 30 KHEARN Cn1c2nc(N=NCc3ccc(OCc4ccccc4)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000008744240 553133921 /nfs/dbraw/zinc/13/39/21/553133921.db2.gz UHRIZVYOBAQEJL-OKCVXOCRSA-N 0 0 512.545 3.646 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(Cc2c(C)cc(C)cc2C)c1=O ZINC000008756797 553136271 /nfs/dbraw/zinc/13/62/71/553136271.db2.gz ZWELSPGMKBKGRZ-UHFFFAOYSA-N 0 0 511.578 3.981 50 30 KHEARN COc1ccc(OCC(=O)N=C(NCCc2c[nH]c3cc(OC)ccc23)Nc2nc(C)cc(C)n2)cc1 ZINC000008758471 553137028 /nfs/dbraw/zinc/13/70/28/553137028.db2.gz YFVIJUMXLFKQLZ-UHFFFAOYSA-N 0 0 502.575 3.798 50 30 KHEARN Cc1cc(C)nc(N=C(NCCc2c[nH]c3ccc(Cl)cc23)NC(=O)CN2C(=O)c3ccccc3C2=O)n1 ZINC000008758743 553137245 /nfs/dbraw/zinc/13/72/45/553137245.db2.gz FBGPADMKSBBBFQ-UHFFFAOYSA-N 0 0 529.988 3.651 50 30 KHEARN COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000008768018 553139994 /nfs/dbraw/zinc/13/99/94/553139994.db2.gz ZJRJNWQPEBSRPU-FIVJBCKJSA-N 0 0 500.520 3.638 50 30 KHEARN COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(c3sc5c(c3C#N)CCCC5)C(=O)[C@@H]42)cc1OC ZINC000008773110 553141526 /nfs/dbraw/zinc/14/15/26/553141526.db2.gz ISHGIAAYFOOEAK-FOKFIGJLSA-N 0 0 503.580 3.690 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008779431 553143945 /nfs/dbraw/zinc/14/39/45/553143945.db2.gz QPMUTWFJNVKUAO-JOCHJYFZSA-N 0 0 515.404 3.758 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008779432 553144172 /nfs/dbraw/zinc/14/41/72/553144172.db2.gz QPMUTWFJNVKUAO-QFIPXVFZSA-N 0 0 515.404 3.758 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000008779451 553144168 /nfs/dbraw/zinc/14/41/68/553144168.db2.gz QQLRPLJSPDLAOD-HSZRJFAPSA-N 0 0 531.005 3.666 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000008779452 553144241 /nfs/dbraw/zinc/14/42/41/553144241.db2.gz QQLRPLJSPDLAOD-QHCPKHFHSA-N 0 0 531.005 3.666 50 30 KHEARN CCC(=O)OCC(=O)[C@@]1(O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(=O)CC)C[C@@]21C ZINC000008788991 553145169 /nfs/dbraw/zinc/14/51/69/553145169.db2.gz XOTZOZXTPNJWFB-OKCRLJKSSA-N 0 0 504.595 3.818 50 30 biogenic KHEARN Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(Cc3ccc(Cl)cc3)c2c(=O)[nH]c1=O ZINC000008809364 553148024 /nfs/dbraw/zinc/14/80/24/553148024.db2.gz QXPKFLDUICQGLP-KTRUABRBSA-N 0 0 513.783 3.959 50 30 KHEARN CCN(CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1cc([N+](=O)[O-])ccc1N1CCCCC1 ZINC000008809803 553148231 /nfs/dbraw/zinc/14/82/31/553148231.db2.gz BEWSNFOISGZJPY-XQNSMLJCSA-N 0 0 504.569 3.970 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008816711 553152129 /nfs/dbraw/zinc/15/21/29/553152129.db2.gz HDZMTFLTCJVBDR-AREMUKBSSA-N 0 0 522.598 3.569 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008817117 553152335 /nfs/dbraw/zinc/15/23/35/553152335.db2.gz PXCWEJZSQXFQAW-SANMLTNESA-N 0 0 524.614 3.792 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008817118 553152324 /nfs/dbraw/zinc/15/23/24/553152324.db2.gz PXCWEJZSQXFQAW-AREMUKBSSA-N 0 0 524.614 3.792 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008817922 553153148 /nfs/dbraw/zinc/15/31/48/553153148.db2.gz HDZMTFLTCJVBDR-SANMLTNESA-N 0 0 522.598 3.569 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000008827000 553156365 /nfs/dbraw/zinc/15/63/65/553156365.db2.gz HXUMJEULVCNLHU-RUZDIDTESA-N 0 0 502.615 3.985 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)C)cc1 ZINC000008827001 553156360 /nfs/dbraw/zinc/15/63/60/553156360.db2.gz HXUMJEULVCNLHU-VWLOTQADSA-N 0 0 502.615 3.985 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000008827675 553156585 /nfs/dbraw/zinc/15/65/85/553156585.db2.gz TWKBFLUANUQAHA-RUZDIDTESA-N 0 0 504.562 3.620 50 30 KHEARN CCOc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N[C@@H](C)c3ccccc3)n(-c3ccccc3)c2=O)cc1OC ZINC000008828086 553157245 /nfs/dbraw/zinc/15/72/45/553157245.db2.gz FRBAXRPYISQFQY-AZFPYSMUSA-N 0 0 525.630 3.687 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cnn1-c1ccccc1 ZINC000008833906 553160304 /nfs/dbraw/zinc/16/03/04/553160304.db2.gz JCEDGEYDWYTNIU-HHHXNRCGSA-N 0 0 530.625 3.878 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cnn1-c1ccccc1 ZINC000008833907 553160328 /nfs/dbraw/zinc/16/03/28/553160328.db2.gz JCEDGEYDWYTNIU-MHZLTWQESA-N 0 0 530.625 3.878 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008833943 553160491 /nfs/dbraw/zinc/16/04/91/553160491.db2.gz DPKRJAUKVLEUPH-RUZDIDTESA-N 0 0 508.571 3.505 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008833944 553160593 /nfs/dbraw/zinc/16/05/93/553160593.db2.gz DPKRJAUKVLEUPH-VWLOTQADSA-N 0 0 508.571 3.505 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000008833950 553160524 /nfs/dbraw/zinc/16/05/24/553160524.db2.gz DHARASOEVYMOFQ-OAQYLSRUSA-N 0 0 505.354 3.633 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCO2 ZINC000008833951 553160501 /nfs/dbraw/zinc/16/05/01/553160501.db2.gz DHARASOEVYMOFQ-NRFANRHFSA-N 0 0 505.354 3.633 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000008834942 553161398 /nfs/dbraw/zinc/16/13/98/553161398.db2.gz HKLKQHDEAZDTGZ-RUZDIDTESA-N 0 0 504.562 3.620 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2F)cnn1-c1ccccc1 ZINC000008834943 553161461 /nfs/dbraw/zinc/16/14/61/553161461.db2.gz HKLKQHDEAZDTGZ-VWLOTQADSA-N 0 0 504.562 3.620 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000008834996 553161411 /nfs/dbraw/zinc/16/14/11/553161411.db2.gz GVHHUEQPTRMHFM-XMMPIXPASA-N 0 0 506.990 3.745 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000008834997 553161388 /nfs/dbraw/zinc/16/13/88/553161388.db2.gz GVHHUEQPTRMHFM-DEOSSOPVSA-N 0 0 506.990 3.745 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008835480 553162167 /nfs/dbraw/zinc/16/21/67/553162167.db2.gz XOWQAIUVKHXXKD-RUZDIDTESA-N 0 0 519.554 3.730 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000008835486 553162184 /nfs/dbraw/zinc/16/21/84/553162184.db2.gz XOWQAIUVKHXXKD-VWLOTQADSA-N 0 0 519.554 3.730 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008835537 553162379 /nfs/dbraw/zinc/16/23/79/553162379.db2.gz NNYYETNHDXNPSR-AREMUKBSSA-N 0 0 522.598 3.547 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008835539 553162343 /nfs/dbraw/zinc/16/23/43/553162343.db2.gz NNYYETNHDXNPSR-SANMLTNESA-N 0 0 522.598 3.547 50 30 KHEARN COc1ccc(C(=O)/N=C2\S[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000008835933 553162636 /nfs/dbraw/zinc/16/26/36/553162636.db2.gz ZJRJNWQPEBSRPU-AYEJMORYSA-N 0 0 500.520 3.638 50 30 KHEARN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008836892 553163483 /nfs/dbraw/zinc/16/34/83/553163483.db2.gz OGOXHJSHQGIUON-VWLOTQADSA-N 0 0 523.586 3.991 50 30 KHEARN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008836893 553163533 /nfs/dbraw/zinc/16/35/33/553163533.db2.gz OGOXHJSHQGIUON-RUZDIDTESA-N 0 0 523.586 3.991 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000008837033 553163688 /nfs/dbraw/zinc/16/36/88/553163688.db2.gz SDETUBJZRLCOHJ-QHCPKHFHSA-N 0 0 530.021 3.762 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000008837034 553163701 /nfs/dbraw/zinc/16/37/01/553163701.db2.gz SDETUBJZRLCOHJ-HSZRJFAPSA-N 0 0 530.021 3.762 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008837398 553164006 /nfs/dbraw/zinc/16/40/06/553164006.db2.gz MSDBEYZEPNNMKD-NPJIAGGLSA-N 0 0 520.582 3.984 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008837399 553164071 /nfs/dbraw/zinc/16/40/71/553164071.db2.gz MSDBEYZEPNNMKD-IUKMQXEJSA-N 0 0 520.582 3.984 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008837625 553164447 /nfs/dbraw/zinc/16/44/47/553164447.db2.gz GMHKGEWOUHEALA-SANMLTNESA-N 0 0 506.599 3.951 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000008837928 553164782 /nfs/dbraw/zinc/16/47/82/553164782.db2.gz YYHTWONKXOOXOO-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000008837929 553164771 /nfs/dbraw/zinc/16/47/71/553164771.db2.gz YYHTWONKXOOXOO-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN COC(=O)[C@@]1(Nc2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccccc2)=C(OC)C(=O)N1c1ccc(OC)cc1 ZINC000008838057 553164835 /nfs/dbraw/zinc/16/48/35/553164835.db2.gz FHBMGWAZPJZQQZ-HHHXNRCGSA-N 0 0 517.494 3.715 50 30 KHEARN COC(=O)[C@]1(Nc2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccccc2)=C(OC)C(=O)N1c1ccc(OC)cc1 ZINC000008838058 553164690 /nfs/dbraw/zinc/16/46/90/553164690.db2.gz FHBMGWAZPJZQQZ-MHZLTWQESA-N 0 0 517.494 3.715 50 30 KHEARN CCOc1ccc(CCNC(=O)[C@H]2CC(=O)N(CC)/C(=N/c3ccc(C(=O)OC)cc3)S2)cc1OCC ZINC000008856088 553167304 /nfs/dbraw/zinc/16/73/04/553167304.db2.gz VKKGMRCKQVRCDT-JIDDHEAESA-N 0 0 527.643 3.971 50 30 KHEARN COc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccc(Cl)cc1Cl ZINC000008856896 553167827 /nfs/dbraw/zinc/16/78/27/553167827.db2.gz AYPDXHJXIOOIMT-MUFRIFMGSA-N 0 0 588.452 3.525 50 30 KHEARN O=C(Oc1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1)c1ccc(Cl)cc1Cl ZINC000008856898 553167758 /nfs/dbraw/zinc/16/77/58/553167758.db2.gz LAOGXWBFNHQKTR-LQKURTRISA-N 0 0 558.426 3.517 50 30 KHEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1)c1ccc(Cl)cc1 ZINC000008856922 553167845 /nfs/dbraw/zinc/16/78/45/553167845.db2.gz BFWBSISRGCBTDS-WPWMEQJKSA-N 0 0 507.982 3.627 50 30 KHEARN C=CCNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCc2ccc(OC)c(OC)c2)C1=O ZINC000008858007 553168513 /nfs/dbraw/zinc/16/85/13/553168513.db2.gz BHWSOPPBNAJZFB-HKWRFOASSA-N 0 0 508.625 3.754 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000008858341 553169088 /nfs/dbraw/zinc/16/90/88/553169088.db2.gz ZHDAFVAQLODRAI-RUZDIDTESA-N 0 0 524.614 3.793 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000008858342 553168955 /nfs/dbraw/zinc/16/89/55/553168955.db2.gz ZHDAFVAQLODRAI-VWLOTQADSA-N 0 0 524.614 3.793 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008858431 553169064 /nfs/dbraw/zinc/16/90/64/553169064.db2.gz IAICYINSRJNLOR-AREMUKBSSA-N 0 0 524.614 3.793 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000008858432 553169105 /nfs/dbraw/zinc/16/91/05/553169105.db2.gz IAICYINSRJNLOR-SANMLTNESA-N 0 0 524.614 3.793 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000008858443 553169001 /nfs/dbraw/zinc/16/90/01/553169001.db2.gz KTDZGXHLJUJJGY-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000008858444 553169050 /nfs/dbraw/zinc/16/90/50/553169050.db2.gz KTDZGXHLJUJJGY-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000008858585 553169356 /nfs/dbraw/zinc/16/93/56/553169356.db2.gz VUSZBGIIXNDLAC-JOCHJYFZSA-N 0 0 515.404 3.758 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1 ZINC000008858586 553169303 /nfs/dbraw/zinc/16/93/03/553169303.db2.gz VUSZBGIIXNDLAC-QFIPXVFZSA-N 0 0 515.404 3.758 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000008859245 553169281 /nfs/dbraw/zinc/16/92/81/553169281.db2.gz BQMPXCMHFOZYSQ-JOCHJYFZSA-N 0 0 521.397 3.921 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000008859246 553169350 /nfs/dbraw/zinc/16/93/50/553169350.db2.gz BQMPXCMHFOZYSQ-QFIPXVFZSA-N 0 0 521.397 3.921 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000008859475 553169629 /nfs/dbraw/zinc/16/96/29/553169629.db2.gz IUERGISIHBQHDN-LJQANCHMSA-N 0 0 520.449 3.823 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)s1 ZINC000008859476 553169567 /nfs/dbraw/zinc/16/95/67/553169567.db2.gz IUERGISIHBQHDN-IBGZPJMESA-N 0 0 520.449 3.823 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008859530 553169678 /nfs/dbraw/zinc/16/96/78/553169678.db2.gz CLIHMWRHRLIBIY-JOCHJYFZSA-N 0 0 515.950 3.557 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1Cl ZINC000008859531 553169585 /nfs/dbraw/zinc/16/95/85/553169585.db2.gz CLIHMWRHRLIBIY-QFIPXVFZSA-N 0 0 515.950 3.557 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2OC)cc1Cl ZINC000008859536 553169595 /nfs/dbraw/zinc/16/95/95/553169595.db2.gz WZLCKCKODOSIPZ-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2OC)cc1Cl ZINC000008859537 553169640 /nfs/dbraw/zinc/16/96/40/553169640.db2.gz WZLCKCKODOSIPZ-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008859540 553169675 /nfs/dbraw/zinc/16/96/75/553169675.db2.gz CGXXMDJORGKGIJ-JOCHJYFZSA-N 0 0 515.950 3.557 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1Cl ZINC000008859541 553169626 /nfs/dbraw/zinc/16/96/26/553169626.db2.gz CGXXMDJORGKGIJ-QFIPXVFZSA-N 0 0 515.950 3.557 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008859552 553169680 /nfs/dbraw/zinc/16/96/80/553169680.db2.gz SPNLXSWUFRENIU-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008859553 553169558 /nfs/dbraw/zinc/16/95/58/553169558.db2.gz SPNLXSWUFRENIU-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000008859564 553169685 /nfs/dbraw/zinc/16/96/85/553169685.db2.gz KHSVSIPPFLBBAG-AREMUKBSSA-N 0 0 524.614 3.793 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000008859565 553169653 /nfs/dbraw/zinc/16/96/53/553169653.db2.gz KHSVSIPPFLBBAG-SANMLTNESA-N 0 0 524.614 3.793 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008859671 553169841 /nfs/dbraw/zinc/16/98/41/553169841.db2.gz QOSSXHVFUKRASI-AREMUKBSSA-N 0 0 506.599 3.951 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008859672 553169772 /nfs/dbraw/zinc/16/97/72/553169772.db2.gz QOSSXHVFUKRASI-SANMLTNESA-N 0 0 506.599 3.951 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008859766 553169833 /nfs/dbraw/zinc/16/98/33/553169833.db2.gz GMHKGEWOUHEALA-AREMUKBSSA-N 0 0 506.599 3.951 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1 ZINC000008859791 553169906 /nfs/dbraw/zinc/16/99/06/553169906.db2.gz YURGLBDQCXFWBY-JOCHJYFZSA-N 0 0 515.404 3.758 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1 ZINC000008859792 553169826 /nfs/dbraw/zinc/16/98/26/553169826.db2.gz YURGLBDQCXFWBY-QFIPXVFZSA-N 0 0 515.404 3.758 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008860124 553169962 /nfs/dbraw/zinc/16/99/62/553169962.db2.gz GNBZDIFKZBDPJY-XMMPIXPASA-N 0 0 518.522 3.657 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000008860126 553169866 /nfs/dbraw/zinc/16/98/66/553169866.db2.gz GNBZDIFKZBDPJY-DEOSSOPVSA-N 0 0 518.522 3.657 50 30 KHEARN O=[N+]([O-])c1cccc(S(=O)(=O)Oc2ccc(/C=N/NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 ZINC000008861137 553170369 /nfs/dbraw/zinc/17/03/69/553170369.db2.gz KKDZQPQDAASWSZ-LFVJCYFKSA-N 0 0 511.537 3.828 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(F)cc2)cnn1-c1ccccc1 ZINC000008861896 553170541 /nfs/dbraw/zinc/17/05/41/553170541.db2.gz TWKBFLUANUQAHA-VWLOTQADSA-N 0 0 504.562 3.620 50 30 KHEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)ccc1OC(=O)c1ccccc1Cl ZINC000008872012 553171994 /nfs/dbraw/zinc/17/19/94/553171994.db2.gz MXLZSSPPNVZSTA-OGLMXYFKSA-N 0 0 538.008 3.636 50 30 KHEARN O=C(Oc1ccc(CN=Nc2nc(N3CCCC3)nc(N3CCOCC3)n2)cc1)c1ccccc1I ZINC000008872030 553171997 /nfs/dbraw/zinc/17/19/97/553171997.db2.gz AJXJRFRIZGSWLO-WPWMEQJKSA-N 0 0 599.433 3.578 50 30 KHEARN Clc1cccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)c1Cl ZINC000008872037 553171878 /nfs/dbraw/zinc/17/18/78/553171878.db2.gz QROYFYULNWZPFL-AFUMVMLFSA-N 0 0 504.378 3.558 50 30 KHEARN COc1cc(CN=Nc2nc(Nc3ccccc3)nc(N3CCCCC3)n2)ccc1Oc1nc(N2CCOCC2)nc(N2CCOCC2)n1 ZINC000008872319 553173129 /nfs/dbraw/zinc/17/31/29/553173129.db2.gz RNXUUVXEAVOITR-PPFNPFNJSA-N 0 0 668.763 3.711 50 30 KHEARN Clc1ccc(COc2ccccc2CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c(Cl)c1 ZINC000008872341 553173055 /nfs/dbraw/zinc/17/30/55/553173055.db2.gz YUAIMKMYVRTTJS-LQKURTRISA-N 0 0 544.443 3.877 50 30 KHEARN Clc1ccc(COc2cccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)c2)c(Cl)c1 ZINC000008872349 553173040 /nfs/dbraw/zinc/17/30/40/553173040.db2.gz DJTIGZIVZFODHJ-LQKURTRISA-N 0 0 544.443 3.877 50 30 KHEARN Oc1ccc(I)cc1CN=Nc1nc(N2CCCCC2)nc(N2CCCCC2)n1 ZINC000008872666 553173769 /nfs/dbraw/zinc/17/37/69/553173769.db2.gz AYQVZZJPAHFWJG-HYARGMPZSA-N 0 0 507.380 3.608 50 30 KHEARN CC(N=Nc1nc(Nc2cccc(Br)c2)nc(N2CCOCC2)n1)c1ccc([N+](=O)[O-])cc1 ZINC000008872734 553174179 /nfs/dbraw/zinc/17/41/79/553174179.db2.gz FDHWHKFNLXLFQU-MZJWZYIUSA-N 0 0 513.356 3.959 50 30 KHEARN CCN(CC)c1ccc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCN(C)CC3)n2)cc1 ZINC000008872817 553174291 /nfs/dbraw/zinc/17/42/91/553174291.db2.gz YGCSDCPSEQIJIA-NLRVBDNBSA-N 0 0 504.599 3.567 50 30 KHEARN Cc1ccc(Nc2nc(N=NCc3cccc(I)c3)nc(N3CCOCC3)n2)cc1 ZINC000008872823 553174304 /nfs/dbraw/zinc/17/43/04/553174304.db2.gz PKJFHHBPHMACLH-OEAKJJBVSA-N 0 0 515.359 3.811 50 30 KHEARN Cc1ccc(Nc2nc(N=NCc3ccc(I)cc3)nc(N3CCOCC3)n2)cc1 ZINC000008872827 553174283 /nfs/dbraw/zinc/17/42/83/553174283.db2.gz RJYSDQLBFJYLGN-OEAKJJBVSA-N 0 0 515.359 3.811 50 30 KHEARN O=[N+]([O-])c1ccc(Nc2nc(=NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(N3CCCCCC3)[nH]2)cc1 ZINC000008872904 553174332 /nfs/dbraw/zinc/17/43/32/553174332.db2.gz ZSRVQCVDWWNBOJ-CFRMEGHHSA-N 0 0 521.494 3.987 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000008892204 553176525 /nfs/dbraw/zinc/17/65/25/553176525.db2.gz UFXHSRDYGJWIQE-OEMFJLHTSA-N 0 0 509.562 3.829 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000008892450 553176856 /nfs/dbraw/zinc/17/68/56/553176856.db2.gz UFXHSRDYGJWIQE-YFNKSVMNSA-N 0 0 509.562 3.829 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008892920 553176959 /nfs/dbraw/zinc/17/69/59/553176959.db2.gz GWBVYEODPGVLJS-AREMUKBSSA-N 0 0 524.614 3.793 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000008892921 553177006 /nfs/dbraw/zinc/17/70/06/553177006.db2.gz GWBVYEODPGVLJS-SANMLTNESA-N 0 0 524.614 3.793 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000008893041 553176973 /nfs/dbraw/zinc/17/69/73/553176973.db2.gz ZUMUREBQAXKFOO-SANMLTNESA-N 0 0 506.599 3.951 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008893057 553176967 /nfs/dbraw/zinc/17/69/67/553176967.db2.gz VHVMLNJBIRRBIH-AREMUKBSSA-N 0 0 506.599 3.951 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008893435 553177199 /nfs/dbraw/zinc/17/71/99/553177199.db2.gz MGRAFHLVQAYVOJ-AREMUKBSSA-N 0 0 524.614 3.793 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008893439 553177146 /nfs/dbraw/zinc/17/71/46/553177146.db2.gz MGRAFHLVQAYVOJ-SANMLTNESA-N 0 0 524.614 3.793 50 30 KHEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008895435 553178228 /nfs/dbraw/zinc/17/82/28/553178228.db2.gz DHWVSDRIJPGIEF-AREMUKBSSA-N 0 0 506.599 3.882 50 30 KHEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008895439 553178129 /nfs/dbraw/zinc/17/81/29/553178129.db2.gz DHWVSDRIJPGIEF-SANMLTNESA-N 0 0 506.599 3.882 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000008895897 553178577 /nfs/dbraw/zinc/17/85/77/553178577.db2.gz ZDVVWTFWTMTQPP-RUZDIDTESA-N 0 0 523.630 3.842 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000008895904 553178619 /nfs/dbraw/zinc/17/86/19/553178619.db2.gz ZDVVWTFWTMTQPP-VWLOTQADSA-N 0 0 523.630 3.842 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000008896439 553178613 /nfs/dbraw/zinc/17/86/13/553178613.db2.gz HHMGSZLCMVSJRF-AREMUKBSSA-N 0 0 506.599 3.949 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000008896442 553178610 /nfs/dbraw/zinc/17/86/10/553178610.db2.gz HHMGSZLCMVSJRF-SANMLTNESA-N 0 0 506.599 3.949 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000008897233 553179377 /nfs/dbraw/zinc/17/93/77/553179377.db2.gz ZNADPPKCCZKIAM-XMMPIXPASA-N 0 0 506.990 3.745 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000008897238 553179407 /nfs/dbraw/zinc/17/94/07/553179407.db2.gz ZNADPPKCCZKIAM-DEOSSOPVSA-N 0 0 506.990 3.745 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008897408 553179693 /nfs/dbraw/zinc/17/96/93/553179693.db2.gz JQJGHMLFKALAKK-XMMPIXPASA-N 0 0 523.630 3.626 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008897415 553179634 /nfs/dbraw/zinc/17/96/34/553179634.db2.gz JQJGHMLFKALAKK-DEOSSOPVSA-N 0 0 523.630 3.626 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008898136 553180202 /nfs/dbraw/zinc/18/02/02/553180202.db2.gz GYYFKOUNOYEMAR-XMMPIXPASA-N 0 0 509.559 3.684 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008900085 553181125 /nfs/dbraw/zinc/18/11/25/553181125.db2.gz KEMOXFCRKIMBFX-SBXHHDGASA-N 0 0 506.555 3.594 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008900094 553181081 /nfs/dbraw/zinc/18/10/81/553181081.db2.gz KEMOXFCRKIMBFX-NXLSWJSLSA-N 0 0 506.555 3.594 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008914329 553185705 /nfs/dbraw/zinc/18/57/05/553185705.db2.gz DEBWBMWJVUHJCO-RUZDIDTESA-N 0 0 501.539 3.888 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000008914330 553185700 /nfs/dbraw/zinc/18/57/00/553185700.db2.gz DEBWBMWJVUHJCO-VWLOTQADSA-N 0 0 501.539 3.888 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000008915570 553186227 /nfs/dbraw/zinc/18/62/27/553186227.db2.gz QXRHLMSOVRPNPI-YJADQXIJSA-N 0 0 508.983 3.543 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000008915571 553186213 /nfs/dbraw/zinc/18/62/13/553186213.db2.gz QXRHLMSOVRPNPI-XOYGFPHKSA-N 0 0 508.983 3.543 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008919910 553188996 /nfs/dbraw/zinc/18/89/96/553188996.db2.gz UIVOIPWMYLPMEB-SBXHHDGASA-N 0 0 506.555 3.594 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008919915 553189005 /nfs/dbraw/zinc/18/90/05/553189005.db2.gz UIVOIPWMYLPMEB-NXLSWJSLSA-N 0 0 506.555 3.594 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008921720 553190047 /nfs/dbraw/zinc/19/00/47/553190047.db2.gz YCNXKJUMBYILDB-DEOSSOPVSA-N 0 0 509.559 3.684 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000008921722 553190057 /nfs/dbraw/zinc/19/00/57/553190057.db2.gz YCNXKJUMBYILDB-XMMPIXPASA-N 0 0 509.559 3.684 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1 ZINC000008922719 553190279 /nfs/dbraw/zinc/19/02/79/553190279.db2.gz ZHQAJFOGTACXLW-QFIPXVFZSA-N 0 0 515.404 3.758 50 30 KHEARN CC(N=Nc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000008926262 553191042 /nfs/dbraw/zinc/19/10/42/553191042.db2.gz SEFKKEBCHRLWBZ-NDZAJKAJSA-N 0 0 523.553 3.738 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000008934671 553192899 /nfs/dbraw/zinc/19/28/99/553192899.db2.gz ZUMUREBQAXKFOO-AREMUKBSSA-N 0 0 506.599 3.951 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000008934672 553192961 /nfs/dbraw/zinc/19/29/61/553192961.db2.gz VHVMLNJBIRRBIH-SANMLTNESA-N 0 0 506.599 3.951 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000008934800 553193197 /nfs/dbraw/zinc/19/31/97/553193197.db2.gz GYYFKOUNOYEMAR-DEOSSOPVSA-N 0 0 509.559 3.684 50 30 KHEARN COc1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(Cl)cc3)n(-c3ccccc3)c2=O)cc1OC ZINC000008951682 553193817 /nfs/dbraw/zinc/19/38/17/553193817.db2.gz RPCZBVNWKNZYAM-IBWUJUOBSA-N 0 0 517.994 3.711 50 30 KHEARN COc1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)c(C)c3)n(-c3ccccc3)c2=O)cc1OC ZINC000008951685 553193806 /nfs/dbraw/zinc/19/38/06/553193806.db2.gz WTDZABWPNZHEPC-JSTWGCDDSA-N 0 0 511.603 3.675 50 30 KHEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000008957110 553194419 /nfs/dbraw/zinc/19/44/19/553194419.db2.gz ZKBMXJNLYICXJG-GUBHCJHISA-N 0 0 515.657 3.827 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008970481 553195172 /nfs/dbraw/zinc/19/51/72/553195172.db2.gz NLNRETZPVJSCTN-VWLOTQADSA-N 0 0 512.578 3.922 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000008970484 553195154 /nfs/dbraw/zinc/19/51/54/553195154.db2.gz NLNRETZPVJSCTN-RUZDIDTESA-N 0 0 512.578 3.922 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008988015 553196848 /nfs/dbraw/zinc/19/68/48/553196848.db2.gz FKGWEMMATWJMDN-SBXHHDGASA-N 0 0 515.006 3.891 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000008988020 553196832 /nfs/dbraw/zinc/19/68/32/553196832.db2.gz FKGWEMMATWJMDN-NXLSWJSLSA-N 0 0 515.006 3.891 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008988078 553196856 /nfs/dbraw/zinc/19/68/56/553196856.db2.gz QCNLJFAHDCYICM-CJJGVWJISA-N 0 0 508.615 3.936 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000008988081 553196804 /nfs/dbraw/zinc/19/68/04/553196804.db2.gz QCNLJFAHDCYICM-CZNAVJSXSA-N 0 0 508.615 3.936 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)cc2)c1 ZINC000008996359 553197223 /nfs/dbraw/zinc/19/72/23/553197223.db2.gz ZETFODAFQUXXLN-MHZLTWQESA-N 0 0 513.594 3.880 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)cc2)c1 ZINC000008996360 553197173 /nfs/dbraw/zinc/19/71/73/553197173.db2.gz ZETFODAFQUXXLN-HHHXNRCGSA-N 0 0 513.594 3.880 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000008996863 553197429 /nfs/dbraw/zinc/19/74/29/553197429.db2.gz VWQMTLRLDSSRTC-DEOSSOPVSA-N 0 0 509.559 3.601 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000008996864 553197466 /nfs/dbraw/zinc/19/74/66/553197466.db2.gz VWQMTLRLDSSRTC-XMMPIXPASA-N 0 0 509.559 3.601 50 30 KHEARN C=CCn1c(SCC(=O)N(CC)[C@@H]2CCS(=O)(=O)C2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000009003924 553197848 /nfs/dbraw/zinc/19/78/48/553197848.db2.gz VHQGCFHCLSBZCL-GOSISDBHSA-N 0 0 517.698 3.747 50 30 KHEARN C=CCn1c(SCC(=O)N(CC)[C@H]2CCS(=O)(=O)C2)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000009003925 553197869 /nfs/dbraw/zinc/19/78/69/553197869.db2.gz VHQGCFHCLSBZCL-SFHVURJKSA-N 0 0 517.698 3.747 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007809 553198278 /nfs/dbraw/zinc/19/82/78/553198278.db2.gz BZSBPZPSWIHHPU-VWLOTQADSA-N 0 0 502.615 3.851 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009007810 553198342 /nfs/dbraw/zinc/19/83/42/553198342.db2.gz BZSBPZPSWIHHPU-RUZDIDTESA-N 0 0 502.615 3.851 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009008289 553198837 /nfs/dbraw/zinc/19/88/37/553198837.db2.gz JYJULROTOMEKSB-ZHHPLPSFSA-N 0 0 500.617 3.690 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009008290 553198779 /nfs/dbraw/zinc/19/87/79/553198779.db2.gz JYJULROTOMEKSB-AYWGPLOBSA-N 0 0 500.617 3.690 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009008373 553198828 /nfs/dbraw/zinc/19/88/28/553198828.db2.gz KHPPNUAIHZPVDT-HSZRJFAPSA-N 0 0 506.559 3.682 50 30 KHEARN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009009186 553199263 /nfs/dbraw/zinc/19/92/63/553199263.db2.gz KEBVQONGZAONGR-DEOSSOPVSA-N 0 0 509.559 3.540 50 30 KHEARN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009009187 553199232 /nfs/dbraw/zinc/19/92/32/553199232.db2.gz KEBVQONGZAONGR-XMMPIXPASA-N 0 0 509.559 3.540 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009041504 553202305 /nfs/dbraw/zinc/20/23/05/553202305.db2.gz XPCHHXWAWSLSLG-CJJGVWJISA-N 0 0 506.599 3.793 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000009041509 553202307 /nfs/dbraw/zinc/20/23/07/553202307.db2.gz XPCHHXWAWSLSLG-CZNAVJSXSA-N 0 0 506.599 3.793 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000009041710 553202492 /nfs/dbraw/zinc/20/24/92/553202492.db2.gz ORLLATKIKYWREX-SBXHHDGASA-N 0 0 506.555 3.594 50 30 KHEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000009042289 553202679 /nfs/dbraw/zinc/20/26/79/553202679.db2.gz JRQDNJWCSAPIJL-QFIPXVFZSA-N 0 0 515.404 3.677 50 30 KHEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000009042292 553202634 /nfs/dbraw/zinc/20/26/34/553202634.db2.gz JRQDNJWCSAPIJL-JOCHJYFZSA-N 0 0 515.404 3.677 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009043520 553202940 /nfs/dbraw/zinc/20/29/40/553202940.db2.gz MDWCNPDMQAMNAL-UUALVTFQSA-N 0 0 530.625 3.723 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009043728 553203084 /nfs/dbraw/zinc/20/30/84/553203084.db2.gz LUUSHGHBUDWMLK-NPJIAGGLSA-N 0 0 506.555 3.594 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009043732 553203174 /nfs/dbraw/zinc/20/31/74/553203174.db2.gz LUUSHGHBUDWMLK-IUKMQXEJSA-N 0 0 506.555 3.594 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000009043983 553203104 /nfs/dbraw/zinc/20/31/04/553203104.db2.gz NKUALRRNJAQPLL-AZYSICLSSA-N 0 0 500.576 3.555 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000009044599 553203349 /nfs/dbraw/zinc/20/33/49/553203349.db2.gz NMFSXJINGGVEQR-HOGKFDNTSA-N 0 0 500.979 3.501 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000009044604 553203376 /nfs/dbraw/zinc/20/33/76/553203376.db2.gz NMFSXJINGGVEQR-MOBKVPTQSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009046468 553203969 /nfs/dbraw/zinc/20/39/69/553203969.db2.gz VLWREYZMYFMHPF-QHCPKHFHSA-N 0 0 507.543 3.586 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1 ZINC000009046469 553204030 /nfs/dbraw/zinc/20/40/30/553204030.db2.gz VLWREYZMYFMHPF-HSZRJFAPSA-N 0 0 507.543 3.586 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009046795 553204264 /nfs/dbraw/zinc/20/42/64/553204264.db2.gz XFETUGPMYCQLPK-SBXHHDGASA-N 0 0 515.006 3.891 50 30 KHEARN CCOC(=O)C1CCN(C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000009057768 553204648 /nfs/dbraw/zinc/20/46/48/553204648.db2.gz IRYFISYCLQGKIJ-QOMWVZHYSA-N 0 0 502.976 3.868 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009066771 553206188 /nfs/dbraw/zinc/20/61/88/553206188.db2.gz BSOXXMSGCFGBOH-CJJGVWJISA-N 0 0 524.614 3.637 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009066778 553206112 /nfs/dbraw/zinc/20/61/12/553206112.db2.gz BSOXXMSGCFGBOH-CZNAVJSXSA-N 0 0 524.614 3.637 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000009067985 553206355 /nfs/dbraw/zinc/20/63/55/553206355.db2.gz XSJRPIYKZRJQBC-JBCNATCCSA-N 0 0 503.368 3.732 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000009070229 553206907 /nfs/dbraw/zinc/20/69/07/553206907.db2.gz KHPPNUAIHZPVDT-QHCPKHFHSA-N 0 0 506.559 3.682 50 30 KHEARN CN(C)c1ccc(C=[NH+][N-]c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2Cc2ccccc2)cc1 ZINC000009088229 553208945 /nfs/dbraw/zinc/20/89/45/553208945.db2.gz IYBCSTPJLQZPMX-UXHLAJHPSA-N 0 0 507.598 3.505 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009089017 553209118 /nfs/dbraw/zinc/20/91/18/553209118.db2.gz QQTOBFRJTIVADK-VWLOTQADSA-N 0 0 528.577 3.541 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009089018 553209165 /nfs/dbraw/zinc/20/91/65/553209165.db2.gz QQTOBFRJTIVADK-RUZDIDTESA-N 0 0 528.577 3.541 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009089215 553209157 /nfs/dbraw/zinc/20/91/57/553209157.db2.gz IPCZYEYHLGEJEN-HSZRJFAPSA-N 0 0 514.644 3.849 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009089216 553209122 /nfs/dbraw/zinc/20/91/22/553209122.db2.gz IPCZYEYHLGEJEN-QHCPKHFHSA-N 0 0 514.644 3.849 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000009108570 553209647 /nfs/dbraw/zinc/20/96/47/553209647.db2.gz OFJSVHMJJSEQDB-JBCNATCCSA-N 0 0 503.368 3.732 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009108678 553209654 /nfs/dbraw/zinc/20/96/54/553209654.db2.gz AEVXZFHRCXQCMA-RUZDIDTESA-N 0 0 512.578 3.922 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000009109978 553210068 /nfs/dbraw/zinc/21/00/68/553210068.db2.gz OFJSVHMJJSEQDB-MRJHHRETSA-N 0 0 503.368 3.732 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009109991 553210171 /nfs/dbraw/zinc/21/01/71/553210171.db2.gz AEVXZFHRCXQCMA-VWLOTQADSA-N 0 0 512.578 3.922 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009110485 553210124 /nfs/dbraw/zinc/21/01/24/553210124.db2.gz PWZOIHFWGZVPGF-VWLOTQADSA-N 0 0 528.577 3.541 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009110486 553210096 /nfs/dbraw/zinc/21/00/96/553210096.db2.gz PWZOIHFWGZVPGF-RUZDIDTESA-N 0 0 528.577 3.541 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)c1OC ZINC000009110730 553210044 /nfs/dbraw/zinc/21/00/44/553210044.db2.gz CYHSMHBGCXHTQJ-DEOSSOPVSA-N 0 0 528.577 3.541 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)c1OC ZINC000009110731 553210055 /nfs/dbraw/zinc/21/00/55/553210055.db2.gz CYHSMHBGCXHTQJ-XMMPIXPASA-N 0 0 528.577 3.541 50 30 KHEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(O)C(=O)N1CCCN1CCOCC1 ZINC000009111036 553210254 /nfs/dbraw/zinc/21/02/54/553210254.db2.gz MDHHQGQHOCDHMO-VWLOTQADSA-N 0 0 512.578 3.922 50 30 KHEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(O)C(=O)N1CCCN1CCOCC1 ZINC000009111037 553210371 /nfs/dbraw/zinc/21/03/71/553210371.db2.gz MDHHQGQHOCDHMO-RUZDIDTESA-N 0 0 512.578 3.922 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccccc3OC)oc21 ZINC000009122878 553212142 /nfs/dbraw/zinc/21/21/42/553212142.db2.gz ZNWVIAIYRHXJCF-SBXHHDGASA-N 0 0 506.555 3.594 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccccc3OC)oc21 ZINC000009122883 553212288 /nfs/dbraw/zinc/21/22/88/553212288.db2.gz ZNWVIAIYRHXJCF-NXLSWJSLSA-N 0 0 506.555 3.594 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(F)c2)cnn1-c1ccccc1 ZINC000009122979 553212253 /nfs/dbraw/zinc/21/22/53/553212253.db2.gz SAARZPNIHZHFNF-VWLOTQADSA-N 0 0 504.562 3.620 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(F)c2)cnn1-c1ccccc1 ZINC000009122982 553212319 /nfs/dbraw/zinc/21/23/19/553212319.db2.gz SAARZPNIHZHFNF-RUZDIDTESA-N 0 0 504.562 3.620 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009123563 553212324 /nfs/dbraw/zinc/21/23/24/553212324.db2.gz MDWCNPDMQAMNAL-ONQGDUAMSA-N 0 0 530.625 3.723 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009123706 553212550 /nfs/dbraw/zinc/21/25/50/553212550.db2.gz GSUOUHZUTULJEX-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009123707 553212530 /nfs/dbraw/zinc/21/25/30/553212530.db2.gz GSUOUHZUTULJEX-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000009135572 553213442 /nfs/dbraw/zinc/21/34/42/553213442.db2.gz ORLLATKIKYWREX-NXLSWJSLSA-N 0 0 506.555 3.594 50 30 KHEARN CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1c(Br)cc(C)cc1Br ZINC000009157974 553214914 /nfs/dbraw/zinc/21/49/14/553214914.db2.gz JJGBYEMFTQKQDO-MVWSYIQLSA-N 0 0 510.273 3.922 50 30 KHEARN CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1c(Br)cc(C)cc1Br ZINC000009157975 553214942 /nfs/dbraw/zinc/21/49/42/553214942.db2.gz JJGBYEMFTQKQDO-NDALVIQVSA-N 0 0 510.273 3.922 50 30 KHEARN CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1c(Br)cc(C)cc1Br ZINC000009157976 553214918 /nfs/dbraw/zinc/21/49/18/553214918.db2.gz JJGBYEMFTQKQDO-FNLIHQSHSA-N 0 0 510.273 3.922 50 30 KHEARN Cc1cccn2c1nc1c(cc(C#N)/c(=N\C(=O)c3cccc([N+](=O)[O-])c3C)n1CCCOC(C)C)c2=O ZINC000009157999 553214937 /nfs/dbraw/zinc/21/49/37/553214937.db2.gz QLZUPWDUECTEBB-BGABXYSRSA-N 0 0 514.542 3.602 50 30 KHEARN Cc1ccc(C(=O)/N=c2\c(C#N)cc3c(nc4c(C)cccn4c3=O)n2CCCOC(C)C)cc1[N+](=O)[O-] ZINC000009158815 553215114 /nfs/dbraw/zinc/21/51/14/553215114.db2.gz HHSVUQSJHMKNIY-BGABXYSRSA-N 0 0 514.542 3.602 50 30 KHEARN CC(C)OCCCn1c2nc3ccccn3c(=O)c2cc(C#N)/c1=N\C(=O)c1ccccc1Br ZINC000009158843 553214999 /nfs/dbraw/zinc/21/49/99/553214999.db2.gz QOOSXBKCUMMGRV-QUPMIFSKSA-N 0 0 520.387 3.840 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2C[C@@H]1CCCO1 ZINC000009160789 553215575 /nfs/dbraw/zinc/21/55/75/553215575.db2.gz KXFYBUCZMJRMMH-SLQAJWMNSA-N 0 0 518.566 3.516 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2C[C@@H]1CCCO1 ZINC000009160791 553215478 /nfs/dbraw/zinc/21/54/78/553215478.db2.gz KXFYBUCZMJRMMH-ADXZGYQBSA-N 0 0 518.566 3.516 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2C[C@H]1CCCO1 ZINC000009160792 553215576 /nfs/dbraw/zinc/21/55/76/553215576.db2.gz KXFYBUCZMJRMMH-XBBWARJSSA-N 0 0 518.566 3.516 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)OCCO3)=C(O)C(=O)N2C[C@H]1CCCO1 ZINC000009160793 553215509 /nfs/dbraw/zinc/21/55/09/553215509.db2.gz KXFYBUCZMJRMMH-SONOPUAISA-N 0 0 518.566 3.516 50 30 KHEARN CCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1c(Br)cc(C)cc1Br ZINC000009160967 553215457 /nfs/dbraw/zinc/21/54/57/553215457.db2.gz JJGBYEMFTQKQDO-CSYCWZJQSA-N 0 0 510.273 3.922 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(=O)OC)cc2)c1C ZINC000009175345 553216198 /nfs/dbraw/zinc/21/61/98/553216198.db2.gz LVXHTEWBLICHAL-QHCPKHFHSA-N 0 0 517.538 3.768 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(=O)OC)cc2)c1C ZINC000009175358 553216212 /nfs/dbraw/zinc/21/62/12/553216212.db2.gz LVXHTEWBLICHAL-HSZRJFAPSA-N 0 0 517.538 3.768 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009175940 553216130 /nfs/dbraw/zinc/21/61/30/553216130.db2.gz OXMPTMGSFFNKQJ-CJJGVWJISA-N 0 0 504.583 3.570 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009175947 553216075 /nfs/dbraw/zinc/21/60/75/553216075.db2.gz OXMPTMGSFFNKQJ-CZNAVJSXSA-N 0 0 504.583 3.570 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009177332 553216381 /nfs/dbraw/zinc/21/63/81/553216381.db2.gz XFETUGPMYCQLPK-NXLSWJSLSA-N 0 0 515.006 3.891 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)s1 ZINC000009178036 553216635 /nfs/dbraw/zinc/21/66/35/553216635.db2.gz CDXAFKXEJNHOOW-IBGZPJMESA-N 0 0 520.449 3.823 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)s1 ZINC000009178043 553216602 /nfs/dbraw/zinc/21/66/02/553216602.db2.gz CDXAFKXEJNHOOW-LJQANCHMSA-N 0 0 520.449 3.823 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009179119 553216599 /nfs/dbraw/zinc/21/65/99/553216599.db2.gz OQHZRTVMPACQOA-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000009179120 553216627 /nfs/dbraw/zinc/21/66/27/553216627.db2.gz OQHZRTVMPACQOA-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000009185042 553217061 /nfs/dbraw/zinc/21/70/61/553217061.db2.gz OTTFCWBFYDFYFJ-CJJGVWJISA-N 0 0 506.599 3.794 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000009185048 553217028 /nfs/dbraw/zinc/21/70/28/553217028.db2.gz OTTFCWBFYDFYFJ-CZNAVJSXSA-N 0 0 506.599 3.794 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009186644 553217603 /nfs/dbraw/zinc/21/76/03/553217603.db2.gz CFZAUJQJWZJFFZ-CZNAVJSXSA-N 0 0 508.615 3.936 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000009192134 553218836 /nfs/dbraw/zinc/21/88/36/553218836.db2.gz LDASJSCIBQRMTQ-JOCHJYFZSA-N 0 0 504.499 3.890 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000009192758 553218973 /nfs/dbraw/zinc/21/89/73/553218973.db2.gz LDASJSCIBQRMTQ-QFIPXVFZSA-N 0 0 504.499 3.890 50 30 KHEARN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009192882 553218978 /nfs/dbraw/zinc/21/89/78/553218978.db2.gz WGHODWMFKICNGP-XMMPIXPASA-N 0 0 509.559 3.540 50 30 KHEARN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009192883 553218929 /nfs/dbraw/zinc/21/89/29/553218929.db2.gz WGHODWMFKICNGP-DEOSSOPVSA-N 0 0 509.559 3.540 50 30 KHEARN C(=NN=c1cc(N2CCOCC2)[nH]c(N2CCOCC2)n1)c1cn(CCOc2ccccc2)c2ccccc12 ZINC000009196512 553219639 /nfs/dbraw/zinc/21/96/39/553219639.db2.gz PXMCWBMQERFEPA-MWAVMZGNSA-N 0 0 527.629 3.630 50 30 KHEARN CCOCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)/c1=N\C(=O)c1ccccc1Br ZINC000009209771 553220465 /nfs/dbraw/zinc/22/04/65/553220465.db2.gz ITMNWUFTSBVVBO-QUPMIFSKSA-N 0 0 520.387 3.760 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009209974 553220622 /nfs/dbraw/zinc/22/06/22/553220622.db2.gz QVRDZMNQKDTJRV-XMMPIXPASA-N 0 0 509.559 3.683 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000009209975 553220653 /nfs/dbraw/zinc/22/06/53/553220653.db2.gz QVRDZMNQKDTJRV-DEOSSOPVSA-N 0 0 509.559 3.683 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009232829 553224082 /nfs/dbraw/zinc/22/40/82/553224082.db2.gz VKSOXBNUDFFGMT-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000009232830 553224048 /nfs/dbraw/zinc/22/40/48/553224048.db2.gz VKSOXBNUDFFGMT-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000009233526 553224310 /nfs/dbraw/zinc/22/43/10/553224310.db2.gz KEYXNZLXDWUUTJ-QHCPKHFHSA-N 0 0 507.543 3.586 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1 ZINC000009233531 553224319 /nfs/dbraw/zinc/22/43/19/553224319.db2.gz KEYXNZLXDWUUTJ-HSZRJFAPSA-N 0 0 507.543 3.586 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009234285 553224708 /nfs/dbraw/zinc/22/47/08/553224708.db2.gz MEYPWOGUFUWDMR-UUALVTFQSA-N 0 0 518.610 3.960 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000009235560 553225373 /nfs/dbraw/zinc/22/53/73/553225373.db2.gz LAARELDXKXELEU-NPJIAGGLSA-N 0 0 512.578 3.767 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000009235566 553225324 /nfs/dbraw/zinc/22/53/24/553225324.db2.gz LAARELDXKXELEU-IUKMQXEJSA-N 0 0 512.578 3.767 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000009236118 553225538 /nfs/dbraw/zinc/22/55/38/553225538.db2.gz YTXVVBGUWAIOAE-CJJGVWJISA-N 0 0 508.615 3.971 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)cc1OC ZINC000009236121 553225559 /nfs/dbraw/zinc/22/55/59/553225559.db2.gz YTXVVBGUWAIOAE-CZNAVJSXSA-N 0 0 508.615 3.971 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c(OC)c1 ZINC000009236526 553225687 /nfs/dbraw/zinc/22/56/87/553225687.db2.gz RZFZWDGTOUXDAF-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c(OC)c1 ZINC000009236530 553225576 /nfs/dbraw/zinc/22/55/76/553225576.db2.gz RZFZWDGTOUXDAF-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000009240367 553226036 /nfs/dbraw/zinc/22/60/36/553226036.db2.gz HETUJOGAFDFEDT-CJJGVWJISA-N 0 0 500.599 3.633 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000009240368 553226132 /nfs/dbraw/zinc/22/61/32/553226132.db2.gz HETUJOGAFDFEDT-CZNAVJSXSA-N 0 0 500.599 3.633 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000009240540 553226144 /nfs/dbraw/zinc/22/61/44/553226144.db2.gz XSJRPIYKZRJQBC-MRJHHRETSA-N 0 0 503.368 3.732 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009244206 553227086 /nfs/dbraw/zinc/22/70/86/553227086.db2.gz WFIDZEUDEDHDON-DEOSSOPVSA-N 0 0 509.559 3.683 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000009244207 553227054 /nfs/dbraw/zinc/22/70/54/553227054.db2.gz WFIDZEUDEDHDON-XMMPIXPASA-N 0 0 509.559 3.683 50 30 KHEARN C=CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000009260414 553227985 /nfs/dbraw/zinc/22/79/85/553227985.db2.gz WCJIIUOKYLYKOF-UHFFFAOYSA-N 0 0 501.996 3.796 50 30 KHEARN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1Cl ZINC000009260531 553228138 /nfs/dbraw/zinc/22/81/38/553228138.db2.gz GCXWRNWASOJNHA-UHFFFAOYSA-N 0 0 501.996 3.796 50 30 KHEARN C=CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C ZINC000009260537 553228159 /nfs/dbraw/zinc/22/81/59/553228159.db2.gz UFUZYYHWNQDQRQ-UHFFFAOYSA-N 0 0 500.968 3.995 50 30 KHEARN C=CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCC(=O)Nc1cccc(C(=O)OC(C)C)c1 ZINC000009260965 553228351 /nfs/dbraw/zinc/22/83/51/553228351.db2.gz KSJDGAPQAOXUSZ-UHFFFAOYSA-N 0 0 507.616 3.999 50 30 KHEARN CCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000009261252 553228314 /nfs/dbraw/zinc/22/83/14/553228314.db2.gz LSTZEBFNAVCVDJ-UHFFFAOYSA-N 0 0 510.645 3.779 50 30 KHEARN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1SCC(=O)Nc1cc(Cl)ccc1OC ZINC000009261929 553228307 /nfs/dbraw/zinc/22/83/07/553228307.db2.gz OPPDMCMESVJGHT-UHFFFAOYSA-N 0 0 503.987 3.969 50 30 KHEARN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000009262554 553228444 /nfs/dbraw/zinc/22/84/44/553228444.db2.gz COEPRZZDENUBSK-QGZVFWFLSA-N 0 0 523.615 3.871 50 30 KHEARN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OCC)c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000009262556 553228650 /nfs/dbraw/zinc/22/86/50/553228650.db2.gz COEPRZZDENUBSK-KRWDZBQOSA-N 0 0 523.615 3.871 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009270712 553230530 /nfs/dbraw/zinc/23/05/30/553230530.db2.gz PGFVUDQQMDPESS-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009270713 553230575 /nfs/dbraw/zinc/23/05/75/553230575.db2.gz PGFVUDQQMDPESS-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009271322 553230728 /nfs/dbraw/zinc/23/07/28/553230728.db2.gz ZRNFCTIUSMTWLF-HOGKFDNTSA-N 0 0 515.404 3.602 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009271323 553230623 /nfs/dbraw/zinc/23/06/23/553230623.db2.gz ZRNFCTIUSMTWLF-MOBKVPTQSA-N 0 0 515.404 3.602 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009273344 553232170 /nfs/dbraw/zinc/23/21/70/553232170.db2.gz CFZAUJQJWZJFFZ-CJJGVWJISA-N 0 0 508.615 3.936 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000009274700 553232646 /nfs/dbraw/zinc/23/26/46/553232646.db2.gz MEYPWOGUFUWDMR-ONQGDUAMSA-N 0 0 518.610 3.960 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009280222 553233113 /nfs/dbraw/zinc/23/31/13/553233113.db2.gz PFPFCIGJVLWHNM-NPJIAGGLSA-N 0 0 512.578 3.767 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000009280224 553233073 /nfs/dbraw/zinc/23/30/73/553233073.db2.gz PFPFCIGJVLWHNM-IUKMQXEJSA-N 0 0 512.578 3.767 50 30 KHEARN CCCCCn1c2nc3c(C)cccn3c(=O)c2cc(C#N)/c1=N\C(=O)c1cc(OC)c(OC)c(OC)c1 ZINC000009280833 553233132 /nfs/dbraw/zinc/23/31/32/553233132.db2.gz GEOIFDQPEZFFDP-QCKNELIISA-N 0 0 515.570 3.786 50 30 KHEARN N#C/C(C(=O)Nc1ccccc1Cl)=c1\s/c(=C/c2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccccc1 ZINC000009281165 553233232 /nfs/dbraw/zinc/23/32/32/553233232.db2.gz BWMKLSOIMUFSOU-WAFZPUJNSA-N 0 0 502.939 3.602 50 30 KHEARN N#C/C(C(=O)NCc1ccccc1)=c1\s/c(=C/c2ccc(-c3ccccc3)o2)c(=O)n1-c1ccccc1 ZINC000009281576 553233420 /nfs/dbraw/zinc/23/34/20/553233420.db2.gz NQXQJMHMTFHXSK-QFFZIDTCSA-N 0 0 503.583 3.978 50 30 KHEARN Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccccc4Br)n(C[C@@H]4CCCO4)c3nc12 ZINC000009281732 553233557 /nfs/dbraw/zinc/23/35/57/553233557.db2.gz QIINOARAOLZTAA-VKHFSYIUSA-N 0 0 518.371 3.512 50 30 KHEARN Cc1cccn2c(=O)c3cc(C#N)/c(=N\C(=O)c4ccccc4Br)n(C[C@H]4CCCO4)c3nc12 ZINC000009281733 553233567 /nfs/dbraw/zinc/23/35/67/553233567.db2.gz QIINOARAOLZTAA-LEYZRSIQSA-N 0 0 518.371 3.512 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000009282464 553233873 /nfs/dbraw/zinc/23/38/73/553233873.db2.gz ZKZYSJJTWAWJKE-JOCHJYFZSA-N 0 0 504.499 3.890 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000009282465 553233860 /nfs/dbraw/zinc/23/38/60/553233860.db2.gz ZKZYSJJTWAWJKE-QFIPXVFZSA-N 0 0 504.499 3.890 50 30 KHEARN N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1\s/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 ZINC000009287617 553234056 /nfs/dbraw/zinc/23/40/56/553234056.db2.gz LGJPKAXSOLFKFQ-BSKLEVBYSA-N 0 0 502.939 3.602 50 30 KHEARN COc1ccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3cc(C)cc(C)c3)n(-c3ccccc3)c2=O)cc1OC ZINC000009290559 553234483 /nfs/dbraw/zinc/23/44/83/553234483.db2.gz LJAGTXFIVFZLTN-YIYCWRHBSA-N 0 0 511.603 3.675 50 30 KHEARN COc1ccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3ccccc3Cl)n(-c3ccccc3)c2=O)cc1OC ZINC000009292405 553235106 /nfs/dbraw/zinc/23/51/06/553235106.db2.gz CQBDHILXTHFYQG-SQYYFCANSA-N 0 0 517.994 3.711 50 30 KHEARN Clc1ccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)cc1Cl ZINC000009296500 553235784 /nfs/dbraw/zinc/23/57/84/553235784.db2.gz OLZHLCRPFPRWMH-AFUMVMLFSA-N 0 0 504.378 3.558 50 30 KHEARN Clc1ccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)c(Cl)c1 ZINC000009296513 553235840 /nfs/dbraw/zinc/23/58/40/553235840.db2.gz QBBYLEJZHDSBBI-AFUMVMLFSA-N 0 0 504.378 3.558 50 30 KHEARN COc1cc(CN=Nc2cc(N(C)C)nc(C(C)C)n2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000009299676 553235990 /nfs/dbraw/zinc/23/59/90/553235990.db2.gz KMVGKZXBVDVGNQ-ZVHZXABRSA-N 0 0 514.564 3.797 50 30 KHEARN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@H](c1ccccc1OCC)C(C(=O)OCC)=C(C)N=2 ZINC000009305770 553236841 /nfs/dbraw/zinc/23/68/41/553236841.db2.gz MTUAJYDAXNGNOW-IVNHJSRESA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOc1ccccc1/C=c1\sc2n(c1=O)[C@@H](c1ccccc1OCC)C(C(=O)OCC)=C(C)N=2 ZINC000009305773 553236814 /nfs/dbraw/zinc/23/68/14/553236814.db2.gz MTUAJYDAXNGNOW-PBMMVTTKSA-N 0 0 504.608 3.762 50 30 KHEARN CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N/C(=N\N=C(/C)c3ccc(Br)cc3)S2)cc1 ZINC000009307533 553237139 /nfs/dbraw/zinc/23/71/39/553237139.db2.gz JGWLWVJDHIZQML-NPSPNJCMSA-N 0 0 517.405 3.966 50 30 KHEARN CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N/C(=N\N=C(/C)c3ccc(Br)cc3)S2)cc1 ZINC000009307534 553237144 /nfs/dbraw/zinc/23/71/44/553237144.db2.gz JGWLWVJDHIZQML-WUERFNLMSA-N 0 0 517.405 3.966 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000009308634 553237494 /nfs/dbraw/zinc/23/74/94/553237494.db2.gz XCMLJBHJCXKUSC-HSZRJFAPSA-N 0 0 506.559 3.682 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)c1C ZINC000009308635 553237504 /nfs/dbraw/zinc/23/75/04/553237504.db2.gz XCMLJBHJCXKUSC-QHCPKHFHSA-N 0 0 506.559 3.682 50 30 KHEARN COC(=O)[C@@]1(Nc2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(OC)cc1 ZINC000009310182 553238736 /nfs/dbraw/zinc/23/87/36/553238736.db2.gz FONRETHVFFWNIR-AREMUKBSSA-N 0 0 503.467 3.626 50 30 KHEARN COC(=O)[C@]1(Nc2ccc([N+](=O)[O-])cc2)C(C(=O)c2ccccc2)=C(O)C(=O)N1c1ccc(OC)cc1 ZINC000009310183 553238681 /nfs/dbraw/zinc/23/86/81/553238681.db2.gz FONRETHVFFWNIR-SANMLTNESA-N 0 0 503.467 3.626 50 30 KHEARN CCOC(=O)[C@@H]1CCCN(C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000009310199 553238715 /nfs/dbraw/zinc/23/87/15/553238715.db2.gz NIXXGFQZTJLSMY-XXQDRHBBSA-N 0 0 502.976 3.868 50 30 KHEARN CCOC(=O)[C@H]1CCCN(C2=C(NS(=O)(=O)c3ccc(Cl)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000009310200 553238727 /nfs/dbraw/zinc/23/87/27/553238727.db2.gz NIXXGFQZTJLSMY-FCQRAFMMSA-N 0 0 502.976 3.868 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009328464 553241966 /nfs/dbraw/zinc/24/19/66/553241966.db2.gz LBCIYQITZSDIHD-DEOSSOPVSA-N 0 0 528.627 3.507 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000009328467 553242054 /nfs/dbraw/zinc/24/20/54/553242054.db2.gz LBCIYQITZSDIHD-XMMPIXPASA-N 0 0 528.627 3.507 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000009328795 553242059 /nfs/dbraw/zinc/24/20/59/553242059.db2.gz YKRCQPWSKLCCQS-JOCHJYFZSA-N 0 0 519.019 3.739 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000009328796 553242038 /nfs/dbraw/zinc/24/20/38/553242038.db2.gz YKRCQPWSKLCCQS-QFIPXVFZSA-N 0 0 519.019 3.739 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009329231 553242298 /nfs/dbraw/zinc/24/22/98/553242298.db2.gz XHLOGQGIOJIHPY-YUNKPMOVSA-N 0 0 518.360 3.711 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009329232 553242272 /nfs/dbraw/zinc/24/22/72/553242272.db2.gz XHLOGQGIOJIHPY-MPBGBICISA-N 0 0 518.360 3.711 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009329233 553242206 /nfs/dbraw/zinc/24/22/06/553242206.db2.gz XHLOGQGIOJIHPY-FKIZINRSSA-N 0 0 518.360 3.711 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000009333948 553242900 /nfs/dbraw/zinc/24/29/00/553242900.db2.gz XLUMZGAMLXGNEF-ZHHPLPSFSA-N 0 0 500.617 3.690 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000009333949 553243048 /nfs/dbraw/zinc/24/30/48/553243048.db2.gz XLUMZGAMLXGNEF-AYWGPLOBSA-N 0 0 500.617 3.690 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009334987 553243302 /nfs/dbraw/zinc/24/33/02/553243302.db2.gz HJSMVOBJZDHKSG-FJWZAKCXSA-N 0 0 510.999 3.635 50 30 KHEARN COc1ccc(N2C(=O)[C@@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009344658 553243843 /nfs/dbraw/zinc/24/38/43/553243843.db2.gz KNSIRWXSYIFINP-HSZRJFAPSA-N 0 0 523.533 3.547 50 30 KHEARN COc1ccc(N2C(=O)[C@](NS(=O)(=O)c3ccc(N)cc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1 ZINC000009344659 553243824 /nfs/dbraw/zinc/24/38/24/553243824.db2.gz KNSIRWXSYIFINP-QHCPKHFHSA-N 0 0 523.533 3.547 50 30 KHEARN CCOc1ccc(/C=c2/s/c(=C(\C#N)C(=O)N[C@H](C)c3ccccc3)n(-c3ccccc3)c2=O)cc1OC ZINC000009345013 553244054 /nfs/dbraw/zinc/24/40/54/553244054.db2.gz FRBAXRPYISQFQY-XKJZDQOPSA-N 0 0 525.630 3.687 50 30 KHEARN COc1ccccc1N1CCN(c2nc3ccccc3nc2[C@@H](C#N)C(=O)NCCc2ccccc2)CC1 ZINC000009347956 553244628 /nfs/dbraw/zinc/24/46/28/553244628.db2.gz NFIQNUPFRFYQBY-HSZRJFAPSA-N 0 0 506.610 3.931 50 30 KHEARN COCc1cc(C)nc(N=NCc2cc(Br)cc(I)c2O)c1C#N ZINC000009348342 553244639 /nfs/dbraw/zinc/24/46/39/553244639.db2.gz DVCNOVARLIMJDT-IFRROFPPSA-N 0 0 501.122 3.927 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000009348935 553245047 /nfs/dbraw/zinc/24/50/47/553245047.db2.gz KENRAGVHNDITRG-CVGPFBNFSA-N 0 0 510.999 3.635 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009348936 553245071 /nfs/dbraw/zinc/24/50/71/553245071.db2.gz KENRAGVHNDITRG-LJJBLSSYSA-N 0 0 510.999 3.635 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000009349836 553244938 /nfs/dbraw/zinc/24/49/38/553244938.db2.gz LUXIFVBENDAGNH-JOCHJYFZSA-N 0 0 519.019 3.739 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000009349838 553245074 /nfs/dbraw/zinc/24/50/74/553245074.db2.gz LUXIFVBENDAGNH-QFIPXVFZSA-N 0 0 519.019 3.739 50 30 KHEARN COc1ccccc1N1CCN(c2nc3ccccc3nc2[C@H](C#N)C(=O)NCCc2ccccc2)CC1 ZINC000009353194 553245308 /nfs/dbraw/zinc/24/53/08/553245308.db2.gz NFIQNUPFRFYQBY-QHCPKHFHSA-N 0 0 506.610 3.931 50 30 KHEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353479 553245611 /nfs/dbraw/zinc/24/56/11/553245611.db2.gz QAEYUALPGVZKLO-VDLDRNGKSA-N 0 0 520.626 3.943 50 30 KHEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353488 553245606 /nfs/dbraw/zinc/24/56/06/553245606.db2.gz QAEYUALPGVZKLO-PMABHTPKSA-N 0 0 520.626 3.943 50 30 KHEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353490 553245510 /nfs/dbraw/zinc/24/55/10/553245510.db2.gz QAEYUALPGVZKLO-MNEKTFPPSA-N 0 0 520.626 3.943 50 30 KHEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009353493 553245558 /nfs/dbraw/zinc/24/55/58/553245558.db2.gz QAEYUALPGVZKLO-HGZLRSGXSA-N 0 0 520.626 3.943 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000009354253 553245737 /nfs/dbraw/zinc/24/57/37/553245737.db2.gz GJXARONJRYTKOF-SANMLTNESA-N 0 0 524.614 3.655 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000009354255 553245733 /nfs/dbraw/zinc/24/57/33/553245733.db2.gz GJXARONJRYTKOF-AREMUKBSSA-N 0 0 524.614 3.655 50 30 KHEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000009357383 553246904 /nfs/dbraw/zinc/24/69/04/553246904.db2.gz FTGNXDVCXQUWLM-JOCHJYFZSA-N 0 0 515.404 3.677 50 30 KHEARN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000009357387 553246927 /nfs/dbraw/zinc/24/69/27/553246927.db2.gz FTGNXDVCXQUWLM-QFIPXVFZSA-N 0 0 515.404 3.677 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000009358941 553247615 /nfs/dbraw/zinc/24/76/15/553247615.db2.gz XUNYTYSQRXQBEO-HSZRJFAPSA-N 0 0 500.617 3.675 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009358944 553247635 /nfs/dbraw/zinc/24/76/35/553247635.db2.gz XUNYTYSQRXQBEO-QHCPKHFHSA-N 0 0 500.617 3.675 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000009359031 553247917 /nfs/dbraw/zinc/24/79/17/553247917.db2.gz XHLOGQGIOJIHPY-ODXCJYRJSA-N 0 0 518.360 3.711 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccc(F)cc1 ZINC000009360365 553248441 /nfs/dbraw/zinc/24/84/41/553248441.db2.gz VKCPKDYEOBBYKC-HSZRJFAPSA-N 0 0 516.591 3.615 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000009361334 553248889 /nfs/dbraw/zinc/24/88/89/553248889.db2.gz NUJNLHKDCSXRBZ-SSOJOUAXSA-N 0 0 503.555 3.979 50 30 KHEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000009361335 553248850 /nfs/dbraw/zinc/24/88/50/553248850.db2.gz NUJNLHKDCSXRBZ-GKVSMKOHSA-N 0 0 503.555 3.979 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000009361336 553248920 /nfs/dbraw/zinc/24/89/20/553248920.db2.gz NUJNLHKDCSXRBZ-CRICUBBOSA-N 0 0 503.555 3.979 50 30 KHEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000009361338 553248872 /nfs/dbraw/zinc/24/88/72/553248872.db2.gz NUJNLHKDCSXRBZ-NSYGIPOTSA-N 0 0 503.555 3.979 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccc(F)cc1 ZINC000009374679 553250908 /nfs/dbraw/zinc/25/09/08/553250908.db2.gz VKCPKDYEOBBYKC-QHCPKHFHSA-N 0 0 516.591 3.615 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1ccccc1F ZINC000009374943 553251102 /nfs/dbraw/zinc/25/11/02/553251102.db2.gz UCEOTTKDPTWQBB-HSZRJFAPSA-N 0 0 516.591 3.615 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1ccccc1F ZINC000009374948 553251084 /nfs/dbraw/zinc/25/10/84/553251084.db2.gz UCEOTTKDPTWQBB-QHCPKHFHSA-N 0 0 516.591 3.615 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374977 553251117 /nfs/dbraw/zinc/25/11/17/553251117.db2.gz SHLIXZRJMUJMDN-NKHPTUSLSA-N 0 0 506.599 3.553 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374979 553251074 /nfs/dbraw/zinc/25/10/74/553251074.db2.gz SHLIXZRJMUJMDN-ONLXDWTESA-N 0 0 506.599 3.553 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374981 553251087 /nfs/dbraw/zinc/25/10/87/553251087.db2.gz SHLIXZRJMUJMDN-HUPAGYGUSA-N 0 0 506.599 3.553 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000009374983 553251155 /nfs/dbraw/zinc/25/11/55/553251155.db2.gz SHLIXZRJMUJMDN-KXCNXCNDSA-N 0 0 506.599 3.553 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CCN(CC)C3)cc1 ZINC000009391457 553254123 /nfs/dbraw/zinc/25/41/23/553254123.db2.gz WEFAVYUHNZBMAG-UHFFFAOYSA-N 0 0 517.673 3.918 50 30 KHEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1 ZINC000009391477 553254132 /nfs/dbraw/zinc/25/41/32/553254132.db2.gz DSYVOKVMYKXEEQ-UHFFFAOYSA-N 0 0 520.636 3.918 50 30 KHEARN CC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCc5ccccc5C4)cc3)sc2C1 ZINC000009391478 553254076 /nfs/dbraw/zinc/25/40/76/553254076.db2.gz VUFZUOWOUUFKLN-UHFFFAOYSA-N 0 0 520.636 3.524 50 30 KHEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2C1 ZINC000009391487 553254107 /nfs/dbraw/zinc/25/41/07/553254107.db2.gz XFLJBXHQFPJXNN-UHFFFAOYSA-N 0 0 502.618 3.561 50 30 KHEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2C1 ZINC000009391489 553254115 /nfs/dbraw/zinc/25/41/15/553254115.db2.gz UQDPWXVUWZRZRM-INIZCTEOSA-N 0 0 516.645 3.950 50 30 KHEARN CCOC(=O)N1CCc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)sc2C1 ZINC000009391490 553254073 /nfs/dbraw/zinc/25/40/73/553254073.db2.gz UQDPWXVUWZRZRM-MRXNPFEDSA-N 0 0 516.645 3.950 50 30 KHEARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc4c(c3C#N)CCCCC4)cc2)CC1 ZINC000009404826 553255983 /nfs/dbraw/zinc/25/59/83/553255983.db2.gz NWFURGPXOAXZHC-UHFFFAOYSA-N 0 0 516.645 3.604 50 30 KHEARN COc1cccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(C)c3)n(-c3ccccc3C)c2=O)c1OC ZINC000009424286 553258492 /nfs/dbraw/zinc/25/84/92/553258492.db2.gz XAPZWYZXPXCVAA-VSSWJOQFSA-N 0 0 511.603 3.675 50 30 KHEARN COc1cccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccccc3C)n(-c3ccccc3C)c2=O)c1OC ZINC000009424914 553259116 /nfs/dbraw/zinc/25/91/16/553259116.db2.gz WGMCGFQHDKEDNH-NYWDPAMTSA-N 0 0 511.603 3.675 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NC[C@@H]3CCCO3)cc2nc1SCC(=O)NCc1ccccc1Cl ZINC000009434190 553263803 /nfs/dbraw/zinc/26/38/03/553263803.db2.gz COJYPGSMHQZWHO-IBGZPJMESA-N 0 0 527.046 3.553 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NC[C@H]3CCCO3)cc2nc1SCC(=O)NCc1ccccc1Cl ZINC000009434191 553263679 /nfs/dbraw/zinc/26/36/79/553263679.db2.gz COJYPGSMHQZWHO-LJQANCHMSA-N 0 0 527.046 3.553 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000009439346 553264818 /nfs/dbraw/zinc/26/48/18/553264818.db2.gz NKUALRRNJAQPLL-YHIOSTQLSA-N 0 0 500.576 3.555 50 30 KHEARN COc1cccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccc(C)c(C)c3)c2=O)c1OC ZINC000009454032 553266328 /nfs/dbraw/zinc/26/63/28/553266328.db2.gz HXZYJNZDRQTBLQ-DSFHFWDRSA-N 0 0 525.630 3.983 50 30 KHEARN COc1cccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccccc3C)c2=O)c1OC ZINC000009457091 553266515 /nfs/dbraw/zinc/26/65/15/553266515.db2.gz QSFPWRZLEXSXHM-VSSWJOQFSA-N 0 0 511.603 3.675 50 30 KHEARN COc1ccc(OC)c(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccc(C)c(C)c3)c2=O)c1 ZINC000009459658 553266696 /nfs/dbraw/zinc/26/66/96/553266696.db2.gz QQEMGRGNRYURSB-NJWMNYFXSA-N 0 0 525.630 3.983 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009460758 553266870 /nfs/dbraw/zinc/26/68/70/553266870.db2.gz QHULCELAQVLBNM-CJJGVWJISA-N 0 0 508.615 3.874 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009460759 553266955 /nfs/dbraw/zinc/26/69/55/553266955.db2.gz QHULCELAQVLBNM-CZNAVJSXSA-N 0 0 508.615 3.874 50 30 KHEARN Cc1c(C#N)c(=O)n(C)c(N2C[C@H](C)O[C@@H](C)C2)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000009460921 553267144 /nfs/dbraw/zinc/26/71/44/553267144.db2.gz PENSHCSGJVNHFA-VBAZMHJVSA-N 0 0 512.632 3.720 50 30 KHEARN C=CCN1C(=O)/C(=C\c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000009462518 553268366 /nfs/dbraw/zinc/26/83/66/553268366.db2.gz HZGWUGGVRRHYCK-CAPFRKAQSA-N 0 0 507.616 3.547 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccco3)cc2nc1SCC(=O)NCCc1ccccc1 ZINC000009474251 553271572 /nfs/dbraw/zinc/27/15/72/553271572.db2.gz DOPOAFWGZZOHIW-UHFFFAOYSA-N 0 0 502.596 3.557 50 30 KHEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc2c1=O ZINC000009474263 553271593 /nfs/dbraw/zinc/27/15/93/553271593.db2.gz SLNKTLOLMHJOOG-NRFANRHFSA-N 0 0 522.627 3.621 50 30 KHEARN C=CCn1c(SCC(=O)Nc2ccc(OCC)cc2)nc2cc(C(=O)NC[C@H]3CCCO3)ccc2c1=O ZINC000009474265 553271600 /nfs/dbraw/zinc/27/16/00/553271600.db2.gz SLNKTLOLMHJOOG-OAQYLSRUSA-N 0 0 522.627 3.621 50 30 KHEARN CCOc1c(Br)cc([C@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000009497387 553274820 /nfs/dbraw/zinc/27/48/20/553274820.db2.gz KTIJPUFOIAPUGE-NRFANRHFSA-N 0 0 505.409 3.683 50 30 KHEARN CCOc1c(Br)cc([C@@H]2C(C(=O)N3CCOCC3)=C(C)NC3=C2C(=O)CCC3)cc1OC ZINC000009504213 553275613 /nfs/dbraw/zinc/27/56/13/553275613.db2.gz KTIJPUFOIAPUGE-OAQYLSRUSA-N 0 0 505.409 3.683 50 30 KHEARN O=C(CCN(/N=C/c1ccc(Br)o1)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 ZINC000009554039 553278881 /nfs/dbraw/zinc/27/88/81/553278881.db2.gz QFYKIWBHZDUZRK-OEAKJJBVSA-N 0 0 507.410 3.666 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@]23c2ccccc2N(CCC)C3=O)cc1 ZINC000009557111 553279103 /nfs/dbraw/zinc/27/91/03/553279103.db2.gz RLGIGHSAXNGRQV-LGGPFLRQSA-N 0 0 502.567 3.920 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@]23c2ccccc2N(CCC)C3=O)cc1 ZINC000009557112 553279045 /nfs/dbraw/zinc/27/90/45/553279045.db2.gz RLGIGHSAXNGRQV-KCWXNJEJSA-N 0 0 502.567 3.920 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@]23c2ccccc2N(CCC)C3=O)cc1 ZINC000009557113 553279090 /nfs/dbraw/zinc/27/90/90/553279090.db2.gz RLGIGHSAXNGRQV-PBBNMVCDSA-N 0 0 502.567 3.920 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@]23c2ccccc2N(CCC)C3=O)cc1 ZINC000009557115 553279097 /nfs/dbraw/zinc/27/90/97/553279097.db2.gz RLGIGHSAXNGRQV-ONOMSOESSA-N 0 0 502.567 3.920 50 30 KHEARN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2C[C@@H]1CCCO1 ZINC000009557554 553279129 /nfs/dbraw/zinc/27/91/29/553279129.db2.gz UFWOLUGMQPOSNH-QXEZREHESA-N 0 0 502.567 3.678 50 30 KHEARN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2C[C@H]1CCCO1 ZINC000009557557 553279190 /nfs/dbraw/zinc/27/91/90/553279190.db2.gz UFWOLUGMQPOSNH-NYNMPNIZSA-N 0 0 502.567 3.678 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCCOC ZINC000009557559 553279153 /nfs/dbraw/zinc/27/91/53/553279153.db2.gz OKZPORNVQOUXFH-YRVHBCJASA-N 0 0 504.583 3.926 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@H](C)O3)=C(O)C(=O)N2CCCOC ZINC000009557560 553279114 /nfs/dbraw/zinc/27/91/14/553279114.db2.gz OKZPORNVQOUXFH-RBSBEOHCSA-N 0 0 504.583 3.926 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCCOC ZINC000009557562 553279175 /nfs/dbraw/zinc/27/91/75/553279175.db2.gz OKZPORNVQOUXFH-LBEKAKSKSA-N 0 0 504.583 3.926 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc3c(c1)C[C@@H](C)O3)=C(O)C(=O)N2CCCOC ZINC000009557563 553279198 /nfs/dbraw/zinc/27/91/98/553279198.db2.gz OKZPORNVQOUXFH-LDLUVENISA-N 0 0 504.583 3.926 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@@]23c2ccccc2N(CC)C3=O)cc1C ZINC000009557622 553279156 /nfs/dbraw/zinc/27/91/56/553279156.db2.gz OBJBMWYBEJNMSG-WRONEBCDSA-N 0 0 502.567 3.838 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@@H]3CCCO3)[C@]23c2ccccc2N(CC)C3=O)cc1C ZINC000009557623 553279137 /nfs/dbraw/zinc/27/91/37/553279137.db2.gz OBJBMWYBEJNMSG-AFJIDDCJSA-N 0 0 502.567 3.838 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@@]23c2ccccc2N(CC)C3=O)cc1C ZINC000009557625 553279189 /nfs/dbraw/zinc/27/91/89/553279189.db2.gz OBJBMWYBEJNMSG-OLILMLBXSA-N 0 0 502.567 3.838 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(C[C@H]3CCCO3)[C@]23c2ccccc2N(CC)C3=O)cc1C ZINC000009557627 553279158 /nfs/dbraw/zinc/27/91/58/553279158.db2.gz OBJBMWYBEJNMSG-ACSYHNTCSA-N 0 0 502.567 3.838 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@@]23c2ccccc2N(CC=C)C3=O)cc1C ZINC000009557656 553279201 /nfs/dbraw/zinc/27/92/01/553279201.db2.gz XBWDVIKHXVXOBE-LJAQVGFWSA-N 0 0 502.567 3.861 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCCOC)[C@]23c2ccccc2N(CC=C)C3=O)cc1C ZINC000009557657 553279163 /nfs/dbraw/zinc/27/91/63/553279163.db2.gz XBWDVIKHXVXOBE-GDLZYMKVSA-N 0 0 502.567 3.861 50 30 KHEARN C=C(C)Oc1c(OC(C)=O)ccc2c(C)c(CC(=O)NCc3nc(-c4ccc(OC)cc4)no3)c(=O)oc21 ZINC000009575945 553281485 /nfs/dbraw/zinc/28/14/85/553281485.db2.gz WODAYCKEPSBDOW-UHFFFAOYSA-N 0 0 519.510 3.857 50 30 KHEARN N#Cc1ccccc1Cn1c2ccsc2c(=O)n(-c2ccc(CC(=O)NCc3ccccc3)cc2)c1=O ZINC000009598899 553285167 /nfs/dbraw/zinc/28/51/67/553285167.db2.gz IXHLVRIQUQIOMI-UHFFFAOYSA-N 0 0 506.587 3.993 50 30 KHEARN N#Cc1ccccc1Cn1c2ccccc2c(=O)n(CCCC(=O)NCCc2ccc(Cl)cc2)c1=O ZINC000009616632 553291010 /nfs/dbraw/zinc/29/10/10/553291010.db2.gz QEDXNSMXXUQDBH-UHFFFAOYSA-N 0 0 500.986 3.876 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)ccc1O ZINC000009672890 553293979 /nfs/dbraw/zinc/29/39/79/553293979.db2.gz JKEPKARZWJKMED-PRPYNDMISA-N 0 0 503.617 3.700 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)ccc1O ZINC000009672892 553293878 /nfs/dbraw/zinc/29/38/78/553293878.db2.gz JKEPKARZWJKMED-VQUVXCFPSA-N 0 0 503.617 3.700 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(Cc2ccc(Cl)cc2)c1=O ZINC000009692712 553298196 /nfs/dbraw/zinc/29/81/96/553298196.db2.gz BEOLJFYXCJFDRX-UHFFFAOYSA-N 0 0 503.942 3.710 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(Cc2cccc(Cl)c2)c1=O ZINC000009692713 553298255 /nfs/dbraw/zinc/29/82/55/553298255.db2.gz APUSEILJYHQMQW-UHFFFAOYSA-N 0 0 503.942 3.710 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2n(CC(=O)Nc2cccc(Cl)c2)c1=O ZINC000009692728 553298265 /nfs/dbraw/zinc/29/82/65/553298265.db2.gz YSVVQYSCRGJFEI-UHFFFAOYSA-N 0 0 502.958 3.571 50 30 KHEARN C=CCn1cc(C(=O)NCc2ccccc2OC)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000009731287 553302624 /nfs/dbraw/zinc/30/26/24/553302624.db2.gz RQWGZDSWSOCZEY-UHFFFAOYSA-N 0 0 509.628 3.691 50 30 KHEARN CCNC(=O)[C@@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)/C(=N/c2ccc(C(=O)OCC)cc2)S1 ZINC000009763624 553303422 /nfs/dbraw/zinc/30/34/22/553303422.db2.gz GUNCQDUSWRVDLC-UGSMRDLSSA-N 0 0 513.616 3.581 50 30 KHEARN CCNC(=O)[C@H]1CC(=O)N(CCc2ccc(OC)c(OC)c2)/C(=N/c2ccc(C(=O)OCC)cc2)S1 ZINC000009763625 553303508 /nfs/dbraw/zinc/30/35/08/553303508.db2.gz GUNCQDUSWRVDLC-HMHYKHAESA-N 0 0 513.616 3.581 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)ccc3n2CC(=O)OCC)cc1 ZINC000009809363 553308697 /nfs/dbraw/zinc/30/86/97/553308697.db2.gz OZIOOESVSOFNRS-QPLCGJKRSA-N 0 0 513.641 3.678 50 30 KHEARN CCOC(=O)c1ccc(/N=C2\S/C(=C/C(=O)OC)C(=O)N2Cc2ccc(N3CCCC3=O)cc2)cc1 ZINC000009846283 553311543 /nfs/dbraw/zinc/31/15/43/553311543.db2.gz DEVCKZPCXWYDFB-YEUZMSPQSA-N 0 0 507.568 3.810 50 30 KHEARN CCOC(=O)c1ccc(NC(=O)/C=C2\S/C(=N\Cc3cccnc3)N(Cc3cccnc3)C2=O)cc1 ZINC000009892270 553314772 /nfs/dbraw/zinc/31/47/72/553314772.db2.gz ROPTZCBMSDKABX-AVFFQYQTSA-N 0 0 501.568 3.808 50 30 KHEARN COC(=O)c1cc(OC)c(OC)cc1NC(=S)N=C(NCc1ccccc1)Nc1nc(C)cc(C)n1 ZINC000009972220 553323101 /nfs/dbraw/zinc/32/31/01/553323101.db2.gz KXZJFDUSTBOTBI-UHFFFAOYSA-N 0 0 508.604 3.852 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993605 553324052 /nfs/dbraw/zinc/32/40/52/553324052.db2.gz RAPRXSIJJRCRTP-AREMUKBSSA-N 0 0 507.631 3.760 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993609 553324134 /nfs/dbraw/zinc/32/41/34/553324134.db2.gz RAPRXSIJJRCRTP-SANMLTNESA-N 0 0 507.631 3.760 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009993612 553324060 /nfs/dbraw/zinc/32/40/60/553324060.db2.gz WSWLANZWLSJGGY-AREMUKBSSA-N 0 0 524.614 3.712 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000009993615 553324189 /nfs/dbraw/zinc/32/41/89/553324189.db2.gz WSWLANZWLSJGGY-SANMLTNESA-N 0 0 524.614 3.712 50 30 KHEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993801 553324114 /nfs/dbraw/zinc/32/41/14/553324114.db2.gz IJVKJKBWXASQSJ-AREMUKBSSA-N 0 0 507.631 3.760 50 30 KHEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009993803 553324150 /nfs/dbraw/zinc/32/41/50/553324150.db2.gz IJVKJKBWXASQSJ-SANMLTNESA-N 0 0 507.631 3.760 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009994029 553324423 /nfs/dbraw/zinc/32/44/23/553324423.db2.gz RYEXWEGSYCDQQB-AREMUKBSSA-N 0 0 505.615 3.536 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)cc1C ZINC000009994031 553324410 /nfs/dbraw/zinc/32/44/10/553324410.db2.gz RYEXWEGSYCDQQB-SANMLTNESA-N 0 0 505.615 3.536 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)cc1C ZINC000009994041 553324420 /nfs/dbraw/zinc/32/44/20/553324420.db2.gz PGSQZULRENZHBF-AREMUKBSSA-N 0 0 506.599 3.869 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)cc1C ZINC000009994043 553324450 /nfs/dbraw/zinc/32/44/50/553324450.db2.gz PGSQZULRENZHBF-SANMLTNESA-N 0 0 506.599 3.869 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009994125 553324740 /nfs/dbraw/zinc/32/47/40/553324740.db2.gz VRVHCXDEOIYXKQ-AREMUKBSSA-N 0 0 506.599 3.869 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000009994126 553324742 /nfs/dbraw/zinc/32/47/42/553324742.db2.gz VRVHCXDEOIYXKQ-SANMLTNESA-N 0 0 506.599 3.869 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994143 553324624 /nfs/dbraw/zinc/32/46/24/553324624.db2.gz GOYAFHMPIYQYSO-AREMUKBSSA-N 0 0 507.631 3.760 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994144 553324611 /nfs/dbraw/zinc/32/46/11/553324611.db2.gz GOYAFHMPIYQYSO-SANMLTNESA-N 0 0 507.631 3.760 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994145 553324707 /nfs/dbraw/zinc/32/47/07/553324707.db2.gz FVFPNVKSHXWYJI-AREMUKBSSA-N 0 0 524.614 3.712 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994146 553324748 /nfs/dbraw/zinc/32/47/48/553324748.db2.gz FVFPNVKSHXWYJI-SANMLTNESA-N 0 0 524.614 3.712 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994283 553324728 /nfs/dbraw/zinc/32/47/28/553324728.db2.gz OJJNHZGUJGVGMZ-AREMUKBSSA-N 0 0 524.614 3.712 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000009994285 553324744 /nfs/dbraw/zinc/32/47/44/553324744.db2.gz OJJNHZGUJGVGMZ-SANMLTNESA-N 0 0 524.614 3.712 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994444 553324876 /nfs/dbraw/zinc/32/48/76/553324876.db2.gz OIUUSFJIZRSOMF-AREMUKBSSA-N 0 0 505.615 3.536 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000009994446 553324855 /nfs/dbraw/zinc/32/48/55/553324855.db2.gz OIUUSFJIZRSOMF-SANMLTNESA-N 0 0 505.615 3.536 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994452 553324831 /nfs/dbraw/zinc/32/48/31/553324831.db2.gz DOJQYXFXTCKXIF-AREMUKBSSA-N 0 0 506.599 3.869 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)cc2)c(C)c1 ZINC000009994455 553324870 /nfs/dbraw/zinc/32/48/70/553324870.db2.gz DOJQYXFXTCKXIF-SANMLTNESA-N 0 0 506.599 3.869 50 30 KHEARN COc1ccc([C@@H]2N(/C(C)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000010078473 553327844 /nfs/dbraw/zinc/32/78/44/553327844.db2.gz BMILNYSJTHEQHK-PJFJNZCFSA-N 0 0 513.641 3.816 50 30 KHEARN C/C(=N/S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000010078494 553327852 /nfs/dbraw/zinc/32/78/52/553327852.db2.gz OSADPTRBWCANDT-AOKLHHCESA-N 0 0 526.684 3.873 50 30 KHEARN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1S[C@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000010934545 553338374 /nfs/dbraw/zinc/33/83/74/553338374.db2.gz XSMBLJWGJNJIGO-QGZVFWFLSA-N 0 0 525.606 3.872 50 30 KHEARN C=CCn1c(CCNC(=O)c2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000010934549 553338376 /nfs/dbraw/zinc/33/83/76/553338376.db2.gz XSMBLJWGJNJIGO-KRWDZBQOSA-N 0 0 525.606 3.872 50 30 KHEARN CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CCN(C(=O)OCC)CC2)SC1=S ZINC000011614284 553339224 /nfs/dbraw/zinc/33/92/24/553339224.db2.gz IXUSDHUZWBEAOG-HKWRFOASSA-N 0 0 531.704 3.625 50 30 KHEARN C#CCn1c2c(cc(F)cc2F)s/c1=N/C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000011665715 553339884 /nfs/dbraw/zinc/33/98/84/553339884.db2.gz RVHVOHDLUBHTCP-CKZKCJOCSA-N 0 0 501.989 3.610 50 30 KHEARN C#CCn1c2c(cc(F)cc2F)s/c1=N/C(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000011665717 553339873 /nfs/dbraw/zinc/33/98/73/553339873.db2.gz RVHVOHDLUBHTCP-AIKVESQPSA-N 0 0 501.989 3.610 50 30 KHEARN CCCC(=O)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1cc(OCC)c(OCC)cc1Br ZINC000011907296 553348562 /nfs/dbraw/zinc/34/85/62/553348562.db2.gz YIAWTSDBNFAALZ-LDWQBRBQSA-N 0 0 505.456 3.648 50 30 KHEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000011913853 553349123 /nfs/dbraw/zinc/34/91/23/553349123.db2.gz QNTHHBIMLXXOAN-YLJYHZDGSA-N 0 0 520.401 3.613 50 30 KHEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000011913854 553349325 /nfs/dbraw/zinc/34/93/25/553349325.db2.gz QNTHHBIMLXXOAN-FXAWDEMLSA-N 0 0 520.401 3.613 50 30 KHEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@H]2c2ccc(Br)cc2)c1 ZINC000011913855 553349302 /nfs/dbraw/zinc/34/93/02/553349302.db2.gz QNTHHBIMLXXOAN-XLIONFOSSA-N 0 0 520.401 3.613 50 30 KHEARN CCOc1cccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2ccc(Br)cc2)c1 ZINC000011913856 553349334 /nfs/dbraw/zinc/34/93/34/553349334.db2.gz QNTHHBIMLXXOAN-PXNSSMCTSA-N 0 0 520.401 3.613 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000011914360 553349289 /nfs/dbraw/zinc/34/92/89/553349289.db2.gz VHZFLRYAUNXHDM-YLJYHZDGSA-N 0 0 520.401 3.613 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@@H]2c2cccc(Br)c2)cc1 ZINC000011914361 553349271 /nfs/dbraw/zinc/34/92/71/553349271.db2.gz VHZFLRYAUNXHDM-FXAWDEMLSA-N 0 0 520.401 3.613 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@@H]3CCS(=O)(=O)C3)[C@H]2c2cccc(Br)c2)cc1 ZINC000011914362 553349284 /nfs/dbraw/zinc/34/92/84/553349284.db2.gz VHZFLRYAUNXHDM-XLIONFOSSA-N 0 0 520.401 3.613 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N([C@H]3CCS(=O)(=O)C3)[C@H]2c2cccc(Br)c2)cc1 ZINC000011914363 553349305 /nfs/dbraw/zinc/34/93/05/553349305.db2.gz VHZFLRYAUNXHDM-PXNSSMCTSA-N 0 0 520.401 3.613 50 30 KHEARN C=C(Cl)CSc1nnc(CNS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)n1-c1ccc(OC)cc1 ZINC000012243371 1066504762 /nfs/dbraw/zinc/50/47/62/1066504762.db2.gz VFHIVRUDGBXQSE-HJPURHCSSA-N 0 0 525.096 3.935 50 30 KHEARN Cc1ccc(S(=O)(=O)N(C)C[C@@H](O)Cn2cc(C=C3C(=O)CC(C)(C)CC3=O)c3ccccc32)cc1 ZINC000012249883 553355482 /nfs/dbraw/zinc/35/54/82/553355482.db2.gz UDGCHBFCYWKZJG-OAQYLSRUSA-N 0 0 508.640 3.973 50 30 KHEARN Cc1ccc(S(=O)(=O)N(C)C[C@H](O)Cn2cc(C=C3C(=O)CC(C)(C)CC3=O)c3ccccc32)cc1 ZINC000012249884 553355503 /nfs/dbraw/zinc/35/55/03/553355503.db2.gz UDGCHBFCYWKZJG-NRFANRHFSA-N 0 0 508.640 3.973 50 30 KHEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1\s/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 ZINC000012273796 553355907 /nfs/dbraw/zinc/35/59/07/553355907.db2.gz DUXVBMDIXJMESV-RCHMQECCSA-N 0 0 502.939 3.602 50 30 KHEARN COc1ccc(OC)c(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccc(C)cc3)c2=O)c1 ZINC000012273825 553355939 /nfs/dbraw/zinc/35/59/39/553355939.db2.gz VQSQFPFHMIYLBF-MJHDJXAISA-N 0 0 511.603 3.675 50 30 KHEARN COc1cccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccc(C)cc3)c2=O)c1OC ZINC000012273826 553355942 /nfs/dbraw/zinc/35/59/42/553355942.db2.gz QMVSOTVBRWVWPY-PWDHXOTMSA-N 0 0 511.603 3.675 50 30 KHEARN CCOc1ccc(/C=c2/s/c(=C(/C#N)C(=O)N[C@H](C)c3ccccc3)n(-c3ccccc3)c2=O)cc1OC ZINC000012273872 553355926 /nfs/dbraw/zinc/35/59/26/553355926.db2.gz FRBAXRPYISQFQY-QQGUPMPKSA-N 0 0 525.630 3.687 50 30 KHEARN C=CCOc1ccccc1CN1C[C@@H](n2cc(C(=O)OC)nn2)C[C@H]1C(=O)Nc1cccc(SC)c1 ZINC000012282901 553356343 /nfs/dbraw/zinc/35/63/43/553356343.db2.gz XJPNFYVJBPBFEV-REWPJTCUSA-N 0 0 507.616 3.806 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(NC(=S)NC(=O)C=Cc2ccc(OC)c(OC)c2)cc1 ZINC000012291941 553356833 /nfs/dbraw/zinc/35/68/33/553356833.db2.gz CTWYILZJLWXOKQ-RIYZIHGNSA-N 0 0 501.630 3.593 50 30 KHEARN N#Cc1c([C@](C#N)(c2ccccc2)N2CCOCC2)cccc1[C@](C#N)(c1ccccc1)N1CCOCC1 ZINC000012338654 553358518 /nfs/dbraw/zinc/35/85/18/553358518.db2.gz CJMNYHNNOKUKSG-CONSDPRKSA-N 0 0 503.606 3.757 50 30 KHEARN N#Cc1c([C@@](C#N)(c2ccccc2)N2CCOCC2)cccc1[C@](C#N)(c1ccccc1)N1CCOCC1 ZINC000012338655 553358522 /nfs/dbraw/zinc/35/85/22/553358522.db2.gz CJMNYHNNOKUKSG-QRRGNZNSSA-N 0 0 503.606 3.757 50 30 KHEARN C=CCOc1ccc(-c2nc3s/c(=C4/c5ccccc5N(Cc5ccccc5F)C4=O)c(=O)n3n2)cc1 ZINC000012343898 553358862 /nfs/dbraw/zinc/35/88/62/553358862.db2.gz IUDQYOFXXRGSLC-VHXPQNKSSA-N 0 0 510.550 3.987 50 30 KHEARN COc1ccc(-n2c(=O)[nH]c(=O)c3c2NC(c2ccc(F)cc2)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000012371059 553360278 /nfs/dbraw/zinc/36/02/78/553360278.db2.gz CRSALBOCMFCTER-UHFFFAOYSA-N 0 0 502.346 3.866 50 30 KHEARN COc1ccc(-n2c(=O)[nH]c(=O)c3c2NC(c2ccccc2F)=NC3(C(F)(F)F)C(F)(F)F)cc1 ZINC000012371060 553360263 /nfs/dbraw/zinc/36/02/63/553360263.db2.gz DJDORZMJHVFRQZ-UHFFFAOYSA-N 0 0 502.346 3.866 50 30 KHEARN C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000012374340 553360880 /nfs/dbraw/zinc/36/08/80/553360880.db2.gz BRCODVTYEHAMJZ-UHFFFAOYSA-N 0 0 500.602 3.596 50 30 KHEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@@H](CO)NC(=O)c1ccccc1 ZINC000012379143 553361853 /nfs/dbraw/zinc/36/18/53/553361853.db2.gz PZMLPVUNFICNFG-LJQANCHMSA-N 0 0 520.640 3.782 50 30 KHEARN C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1[C@H](CO)NC(=O)c1ccccc1 ZINC000012379144 553361827 /nfs/dbraw/zinc/36/18/27/553361827.db2.gz PZMLPVUNFICNFG-IBGZPJMESA-N 0 0 520.640 3.782 50 30 KHEARN COc1cc(C(=O)NC(=NCCc2c[nH]c3ccccc23)Nc2nc(C)cc(C)n2)cc(OC)c1OC ZINC000012407257 553363174 /nfs/dbraw/zinc/36/31/74/553363174.db2.gz ZSIRMWIMSLKOPD-UHFFFAOYSA-N 0 0 502.575 3.850 50 30 biogenic KHEARN CCOc1ccc(CCNC(=O)[C@@H]2CC(=O)N(CC)/C(=N/c3ccc(C(=O)OC)cc3)S2)cc1OCC ZINC000012412077 553363794 /nfs/dbraw/zinc/36/37/94/553363794.db2.gz VKKGMRCKQVRCDT-GDHFJQHYSA-N 0 0 527.643 3.971 50 30 KHEARN CCOc1ccc(CC(N)=NOC(NC(=O)c2cccnc2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412135 553363719 /nfs/dbraw/zinc/36/37/19/553363719.db2.gz FYMBLGNBTSOLEI-UHFFFAOYSA-N 0 0 508.419 3.961 50 30 KHEARN CCOc1ccc(CC(N)=NOC(NC(=O)c2ccncc2)(C(F)(F)F)C(F)(F)F)cc1OCC ZINC000012412140 553363785 /nfs/dbraw/zinc/36/37/85/553363785.db2.gz PHTZTBKPCRULBV-UHFFFAOYSA-N 0 0 508.419 3.961 50 30 KHEARN CN1C(=O)N(C)[C@@]2(c3ccccc3)NN3C(=N[C@]12c1ccccc1)SC1=C3C(=O)c2ccccc2C1=O ZINC000012416606 553365020 /nfs/dbraw/zinc/36/50/20/553365020.db2.gz IQQMFWLPALEOJT-VSGBNLITSA-N 0 0 507.575 3.903 50 30 KHEARN C=CCn1c2ccccc2c2nnc(SCC(=O)N[C@H](CSCc3ccccc3)C(=O)OC)nc21 ZINC000012417361 553365302 /nfs/dbraw/zinc/36/53/02/553365302.db2.gz UBAZGQVDWHZDQN-LJQANCHMSA-N 0 0 507.641 3.849 50 30 KHEARN C=CCn1c2ccccc2c2nnc(SCC(=O)N[C@@H](CSCc3ccccc3)C(=O)OC)nc21 ZINC000012417364 553365229 /nfs/dbraw/zinc/36/52/29/553365229.db2.gz UBAZGQVDWHZDQN-IBGZPJMESA-N 0 0 507.641 3.849 50 30 KHEARN Cc1ccc(Nc2nc(N=NCc3cccc([N+](=O)[O-])c3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000012446997 553366637 /nfs/dbraw/zinc/36/66/37/553366637.db2.gz BUGWQXSLFPJMSL-YDZHTSKRSA-N 0 0 513.356 3.877 50 30 KHEARN C=CCc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc(OC)c1OCC(=O)OC ZINC000012447824 553366874 /nfs/dbraw/zinc/36/68/74/553366874.db2.gz KKXRTSHPYKIKGK-FYJGNVAPSA-N 0 0 510.568 3.959 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(C)=O)cc1 ZINC000012462204 553367066 /nfs/dbraw/zinc/36/70/66/553367066.db2.gz ZVYSCQBGMGQRIM-HSZRJFAPSA-N 0 0 523.533 3.751 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C(C)=C2C(C)=O)cc1 ZINC000012462205 553366981 /nfs/dbraw/zinc/36/69/81/553366981.db2.gz ZVYSCQBGMGQRIM-QHCPKHFHSA-N 0 0 523.533 3.751 50 30 KHEARN C=CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC2CCCC2)c1 ZINC000012532800 553387003 /nfs/dbraw/zinc/38/70/03/553387003.db2.gz BQDWGKZWGRYUMS-UHFFFAOYSA-N 0 0 520.007 3.647 50 30 KHEARN COc1ccc(CC/N=C2/SCCN2C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 ZINC000012532811 1066839401 /nfs/dbraw/zinc/83/94/01/1066839401.db2.gz IPNBGWXPSSUEJC-CYYJNZCTSA-N 0 0 506.605 3.860 50 30 KHEARN COc1ccccc1NC(=O)COc1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1OC ZINC000012539091 553388313 /nfs/dbraw/zinc/38/83/13/553388313.db2.gz DTFDKMFCMFFBSL-UHFFFAOYSA-N 0 0 517.538 3.825 50 30 KHEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)N2CCCC2=O)c1 ZINC000012539908 553388788 /nfs/dbraw/zinc/38/87/88/553388788.db2.gz YORAEWRNFKKCQG-UHFFFAOYSA-N 0 0 511.383 3.681 50 30 KHEARN COc1ccc(NC(=O)COc2ccc(/C=C/C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2OC)cc1 ZINC000012540208 553388779 /nfs/dbraw/zinc/38/87/79/553388779.db2.gz PWFYALHADIAGMD-PJQLUOCWSA-N 0 0 524.595 3.868 50 30 KHEARN COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000012542172 553390242 /nfs/dbraw/zinc/39/02/42/553390242.db2.gz CIBJNQWERBPXQI-UHFFFAOYSA-N 0 0 509.584 3.895 50 30 KHEARN N#CCSc1ccccc1NC(=O)Cn1c(=O)c2c(ncn2C2CCCC2)n(Cc2ccccc2)c1=O ZINC000012546380 553391400 /nfs/dbraw/zinc/39/14/00/553391400.db2.gz QEZACYFOKGSYOO-UHFFFAOYSA-N 0 0 514.611 3.777 50 30 KHEARN CC(C)CCn1cnc2c1c(=O)n(CC(=O)Nc1ccc(C#N)c(Cl)c1)c(=O)n2Cc1ccccc1 ZINC000012546609 553391650 /nfs/dbraw/zinc/39/16/50/553391650.db2.gz DBPBYLJFRLIQQM-UHFFFAOYSA-N 0 0 504.978 3.618 50 30 KHEARN N#CC(=C(NS(=O)(=O)c1cccs1)c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000012559698 1066839376 /nfs/dbraw/zinc/83/93/76/1066839376.db2.gz HMXMSJCUXDFTFY-PDQUCZHJSA-N 0 0 518.624 3.651 50 30 KHEARN N#CC(=C(NS(=O)(=O)c1cccs1)c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000012559700 1066839163 /nfs/dbraw/zinc/83/91/63/1066839163.db2.gz HMXMSJCUXDFTFY-MSTCZHFQSA-N 0 0 518.624 3.651 50 30 KHEARN C=CCn1c(=O)c2cc(-c3ccccc3)sc2nc1SCC(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000012566971 553397401 /nfs/dbraw/zinc/39/74/01/553397401.db2.gz DYPUVXCUCQLAAK-UHFFFAOYSA-N 0 0 520.636 3.981 50 30 KHEARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3cc(Cl)ccc3C#N)C2=O)cc1 ZINC000012569578 553398013 /nfs/dbraw/zinc/39/80/13/553398013.db2.gz RCFSBIKFADTLGE-UHFFFAOYSA-N 0 0 504.930 3.663 50 30 KHEARN C=CCn1c(Cn2nnc3ccccc32)nnc1SCC(=O)Nc1sc2c(c1C(=O)OC)CCCC2 ZINC000012590585 553400275 /nfs/dbraw/zinc/40/02/75/553400275.db2.gz FDRUKTFHTQKWPU-UHFFFAOYSA-N 0 0 523.644 3.715 50 30 KHEARN C=CCn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OC)nc2sc(C)c(C)c2c1=O ZINC000012599949 553401025 /nfs/dbraw/zinc/40/10/25/553401025.db2.gz NHKAADDJLXUDSU-LJQANCHMSA-N 0 0 510.641 3.735 50 30 KHEARN C=CCn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OC)nc2sc(C)c(C)c2c1=O ZINC000012599951 553401249 /nfs/dbraw/zinc/40/12/49/553401249.db2.gz NHKAADDJLXUDSU-IBGZPJMESA-N 0 0 510.641 3.735 50 30 KHEARN CCn1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nnc1-c1ccco1 ZINC000012632150 553405710 /nfs/dbraw/zinc/40/57/10/553405710.db2.gz YDRRQHXYRWUXHK-UHFFFAOYSA-N 0 0 502.622 3.540 50 30 KHEARN O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000012657621 553410772 /nfs/dbraw/zinc/41/07/72/553410772.db2.gz XOCXCVGRCBQHQP-UHFFFAOYSA-N 0 0 511.522 3.681 50 30 KHEARN CCOC(=O)c1cc(C(=O)OCC)c(NN=C2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[nH]c1=O ZINC000012860295 553422727 /nfs/dbraw/zinc/42/27/27/553422727.db2.gz FZCOSFAHLDSKAE-UHFFFAOYSA-N 0 0 529.903 3.864 50 30 KHEARN Cc1cc(C)cc(N(CCC#N)C(=O)COC(=O)C2CCN(S(=O)(=O)c3ccc(C)c(C)c3)CC2)c1 ZINC000012875085 553424575 /nfs/dbraw/zinc/42/45/75/553424575.db2.gz VTCXPHYDAKXZOS-UHFFFAOYSA-N 0 0 511.644 3.811 50 30 KHEARN CCOc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(NC(=O)CC#N)cc3)cc2)cc1 ZINC000012878089 553425100 /nfs/dbraw/zinc/42/51/00/553425100.db2.gz XEUHZOUOUOKIRY-UHFFFAOYSA-N 0 0 500.511 3.985 50 30 KHEARN COc1cc(C#N)c(NC(=S)N2CCN(c3cnn(-c4cccc(Cl)c4)c(=O)c3Cl)CC2)cc1OC ZINC000012951346 553428595 /nfs/dbraw/zinc/42/85/95/553428595.db2.gz GYBXVBARKQCXFC-UHFFFAOYSA-N 0 0 545.452 3.947 50 30 KHEARN N#C[C@@](c1ccc(Cl)cc1)(c1ccc([C@](C#N)(c2ccc(Cl)cc2)N2CCOCC2)nn1)N1CCOCC1 ZINC000012957551 553429893 /nfs/dbraw/zinc/42/98/93/553429893.db2.gz YEQGDUDJOKCXFP-HNRBIFIRSA-N 0 0 549.462 3.982 50 30 KHEARN Cc1ccc(-c2nnc(-c3ccc(C(=O)N4CCN(S(=O)(=O)c5ccc(C#N)cc5)CC4)cc3)o2)cc1 ZINC000012971369 553431049 /nfs/dbraw/zinc/43/10/49/553431049.db2.gz ZUHYHEHBOUJAME-UHFFFAOYSA-N 0 0 513.579 3.730 50 30 KHEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2cccs2)N2CCOCC2)c1 ZINC000013013542 553432629 /nfs/dbraw/zinc/43/26/29/553432629.db2.gz VTBFQBPKPLGSNS-XMMPIXPASA-N 0 0 511.669 3.933 50 30 KHEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2cccs2)N2CCOCC2)c1 ZINC000013013544 553432573 /nfs/dbraw/zinc/43/25/73/553432573.db2.gz VTBFQBPKPLGSNS-DEOSSOPVSA-N 0 0 511.669 3.933 50 30 KHEARN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)cc1 ZINC000013027417 553436800 /nfs/dbraw/zinc/43/68/00/553436800.db2.gz QLSFPEHKAWEKPO-HSZRJFAPSA-N 0 0 521.620 3.916 50 30 KHEARN N#CCCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)cc1 ZINC000013027422 553436841 /nfs/dbraw/zinc/43/68/41/553436841.db2.gz QLSFPEHKAWEKPO-QHCPKHFHSA-N 0 0 521.620 3.916 50 30 KHEARN C[C@@H](OC(=O)c1cccnc1S[C@@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000013095554 553445983 /nfs/dbraw/zinc/44/59/83/553445983.db2.gz CLKZHIWZCFCXJR-MOPGFXCFSA-N 0 0 511.648 3.793 50 30 KHEARN C[C@H](OC(=O)c1cccnc1S[C@@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000013095555 553445964 /nfs/dbraw/zinc/44/59/64/553445964.db2.gz CLKZHIWZCFCXJR-OALUTQOASA-N 0 0 511.648 3.793 50 30 KHEARN C[C@@H](OC(=O)c1cccnc1S[C@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000013095556 553445960 /nfs/dbraw/zinc/44/59/60/553445960.db2.gz CLKZHIWZCFCXJR-RTBURBONSA-N 0 0 511.648 3.793 50 30 KHEARN C[C@@H](Sc1ncccc1C(=O)O[C@@H](C)C(=O)NC1(C#N)CCCCC1)C(=O)NC1(C#N)CCCCC1 ZINC000013095557 553445917 /nfs/dbraw/zinc/44/59/17/553445917.db2.gz CLKZHIWZCFCXJR-RBUKOAKNSA-N 0 0 511.648 3.793 50 30 KHEARN O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000013095789 553445928 /nfs/dbraw/zinc/44/59/28/553445928.db2.gz JNZRBXULYHDYSZ-UHFFFAOYSA-N 0 0 503.581 3.857 50 30 KHEARN N#CCCN(C(=O)COC(=O)C1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1)c1ccccc1 ZINC000013098402 553446951 /nfs/dbraw/zinc/44/69/51/553446951.db2.gz BSJNOFFRADSTTK-UHFFFAOYSA-N 0 0 523.533 3.596 50 30 KHEARN N#CC1(NC(=O)COC(=O)c2ccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)cc2)CCCCC1 ZINC000013098603 553447300 /nfs/dbraw/zinc/44/73/00/553447300.db2.gz NIPBODFIECRFIO-UHFFFAOYSA-N 0 0 515.595 3.512 50 30 KHEARN N#Cc1c2c(sc1NC(=O)COC(=O)c1ccc3c(c1)S(=O)(=O)N=C1CCCCCN31)CCCC2 ZINC000013128507 553450001 /nfs/dbraw/zinc/45/00/01/553450001.db2.gz CZMGXNOYAHOTKZ-UHFFFAOYSA-N 0 0 512.613 3.775 50 30 KHEARN Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCN4)c3)s2)cc1 ZINC000013128724 553450026 /nfs/dbraw/zinc/45/00/26/553450026.db2.gz GJKNAUUSKLYRRY-UHFFFAOYSA-N 0 0 502.647 3.792 50 30 KHEARN CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2sccc2C#N)c1 ZINC000013128738 553450051 /nfs/dbraw/zinc/45/00/51/553450051.db2.gz FIXAHAIHIVVLMV-UHFFFAOYSA-N 0 0 503.989 3.889 50 30 KHEARN CN(C(=O)c1ccccc1C(=O)OCC(=O)N(CCC#N)c1ccc2c(c1)OCCO2)C1CCCCC1 ZINC000013134528 553452222 /nfs/dbraw/zinc/45/22/22/553452222.db2.gz CUCVAINFDHIRGP-UHFFFAOYSA-N 0 0 505.571 3.966 50 30 KHEARN O=S(=O)(c1ccc(NC(=S)NN=C(Cc2ccccc2)Cc2ccccc2)cc1)N1CCOCC1 ZINC000013136849 553453041 /nfs/dbraw/zinc/45/30/41/553453041.db2.gz FJRQIIMNYSOJAL-UHFFFAOYSA-N 0 0 508.669 3.835 50 30 KHEARN N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc(CN3CCCCC3)nc3sc4c(c32)CCC4)CC1 ZINC000013138173 553453643 /nfs/dbraw/zinc/45/36/43/553453643.db2.gz GLSJWJNJNGPAOL-UHFFFAOYSA-N 0 0 522.700 3.548 50 30 KHEARN CCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000013140287 553454134 /nfs/dbraw/zinc/45/41/34/553454134.db2.gz MBLSCJQCNQHMHX-UHFFFAOYSA-N 0 0 527.672 3.788 50 30 KHEARN O=[N+]([O-])c1ccc(-c2ccc(C=NN=c3nc(NCc4ccccc4)[nH]c(N4CCOCC4)n3)o2)cc1 ZINC000013152426 553456912 /nfs/dbraw/zinc/45/69/12/553456912.db2.gz BLVWNWPRWFIJHT-WPWMEQJKSA-N 0 0 500.519 3.935 50 30 KHEARN COc1ccc(C2(c3ccc(OC)cc3)NC(=O)N(CC(=O)Nc3ccccc3SCC#N)C2=O)cc1 ZINC000013163548 553457062 /nfs/dbraw/zinc/45/70/62/553457062.db2.gz GJOFICBIECVMFJ-UHFFFAOYSA-N 0 0 516.579 3.754 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)/C=C2\N(C)c3ccccc3C2(C)C)c1 ZINC000013425598 1066290735 /nfs/dbraw/zinc/29/07/35/1066290735.db2.gz OAWAJIKMQIXTAS-XYGWBWBKSA-N 0 0 511.644 3.575 50 30 KHEARN CC1CCN(C(N=N)NS(=O)(=O)c2ccc(-n3nc(C(F)(F)F)cc3-c3cccs3)cc2)CC1 ZINC000013464020 553459486 /nfs/dbraw/zinc/45/94/86/553459486.db2.gz SGIKMOKUFSWWHH-UHFFFAOYSA-N 0 0 512.583 3.860 50 30 KHEARN COc1ccc(C(C)N=Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2Cc2ccccc2)cc1 ZINC000013510880 553467573 /nfs/dbraw/zinc/46/75/73/553467573.db2.gz IQNDAJWFPRSTRG-AJBULDERSA-N 0 0 508.582 3.838 50 30 KHEARN NC(=NC(=O)Nc1ccc(Cl)cc1)N[C@@H]1CCCC[C@@H]1NC(N)=NC(=O)Nc1ccc(Cl)cc1 ZINC000013513397 553467930 /nfs/dbraw/zinc/46/79/30/553467930.db2.gz XUMJSQLZJAFCRW-HDICACEKSA-N 0 0 505.410 3.877 50 30 KHEARN COc1ccc(Nc2nc(=NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(NCc3ccco3)[nH]2)cc1 ZINC000013549023 553470037 /nfs/dbraw/zinc/47/00/37/553470037.db2.gz OBZXUZMGPNLXGO-OPEKNORGSA-N 0 0 504.463 3.912 50 30 KHEARN CC(N=Nc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000013562414 553472010 /nfs/dbraw/zinc/47/20/10/553472010.db2.gz UGTJPPHVPFPWKQ-NDZAJKAJSA-N 0 0 523.553 3.738 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000013596923 553477208 /nfs/dbraw/zinc/47/72/08/553477208.db2.gz ZHQAJFOGTACXLW-JOCHJYFZSA-N 0 0 515.404 3.758 50 30 KHEARN Cc1c(NC(=S)NC(=NS(=O)(=O)c2ccccc2)c2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000013638626 553479074 /nfs/dbraw/zinc/47/90/74/553479074.db2.gz TVZKMJSWTIHPKZ-UHFFFAOYSA-N 0 0 505.625 3.607 50 30 KHEARN CCCCCOc1ccc(/C=c2\s/c(=C(/C#N)C(=O)NCc3ccco3)n(-c3ccccc3)c2=O)cc1 ZINC000013687404 553485489 /nfs/dbraw/zinc/48/54/89/553485489.db2.gz CQXACDBGCVURCV-HGXVAJSKSA-N 0 0 513.619 3.880 50 30 KHEARN Cc1c(C#N)c(=O)n(C)c(N2C[C@@H](C)O[C@@H](C)C2)c1/C=C1\SC(=S)N(Cc2ccc(F)cc2)C1=O ZINC000013689800 553485685 /nfs/dbraw/zinc/48/56/85/553485685.db2.gz PENSHCSGJVNHFA-BBANTFMTSA-N 0 0 512.632 3.720 50 30 KHEARN CCOC(=O)C(CCCN1C(=O)c2ccccc2C1=O)N=Nc1cc2c(cc1Br)OCCO2 ZINC000013739050 553487333 /nfs/dbraw/zinc/48/73/33/553487333.db2.gz JKVCFVKRHIQEEK-UQQQWYQISA-N 0 0 516.348 3.628 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000013751353 553487949 /nfs/dbraw/zinc/48/79/49/553487949.db2.gz FOJGBRBIZZOAES-HSZRJFAPSA-N 0 0 530.021 3.762 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000013751356 553487961 /nfs/dbraw/zinc/48/79/61/553487961.db2.gz FOJGBRBIZZOAES-QHCPKHFHSA-N 0 0 530.021 3.762 50 30 KHEARN COc1ccc(OC)c(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(C)c3)n(-c3ccccc3C)c2=O)c1 ZINC000013757622 553488577 /nfs/dbraw/zinc/48/85/77/553488577.db2.gz ZECPTQXXJGLLFK-JSTWGCDDSA-N 0 0 511.603 3.675 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Cl)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000013774607 553489614 /nfs/dbraw/zinc/48/96/14/553489614.db2.gz HJSMVOBJZDHKSG-RQLGBQGVSA-N 0 0 510.999 3.635 50 30 KHEARN CCCCCCNC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000013800051 553491214 /nfs/dbraw/zinc/49/12/14/553491214.db2.gz VOVAPRHGZUJWEP-JOCHJYFZSA-N 0 0 514.630 3.984 50 30 KHEARN COc1ccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3ccc(C)c(C)c3)n(-c3ccccc3)c2=O)cc1OC ZINC000013806113 553491783 /nfs/dbraw/zinc/49/17/83/553491783.db2.gz WTDZABWPNZHEPC-YIYCWRHBSA-N 0 0 511.603 3.675 50 30 KHEARN C[C@@H]1C[C@H](C)CN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000013810449 553492363 /nfs/dbraw/zinc/49/23/63/553492363.db2.gz IWXPROKHEBARAN-GASCZTMLSA-N 0 0 503.418 3.996 50 30 KHEARN N#C/C(C(=O)Nc1ccccc1)=c1\s/c(=C/c2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000013810904 553492441 /nfs/dbraw/zinc/49/24/41/553492441.db2.gz KSSLJESOEYXVOF-WQVDJDJCSA-N 0 0 502.393 3.803 50 30 KHEARN CCOc1ccc(/C=c2/s/c(=C(\C#N)C(=O)N[C@@H](C)c3ccccc3)n(-c3ccccc3)c2=O)cc1OC ZINC000013811131 553492430 /nfs/dbraw/zinc/49/24/30/553492430.db2.gz FRBAXRPYISQFQY-JPDJKPDSSA-N 0 0 525.630 3.687 50 30 KHEARN COc1ccc(/C=c2/s/c(=C(\C#N)C(=O)Nc3ccc(Cl)cc3)n(-c3ccccc3)c2=O)cc1OC ZINC000013811519 553492678 /nfs/dbraw/zinc/49/26/78/553492678.db2.gz RPCZBVNWKNZYAM-LWHAXBPHSA-N 0 0 517.994 3.711 50 30 KHEARN C#CCN1C(=O)S/C(=C\c2cc(Br)c(OCC(=O)OCC)c(Br)c2)C1=O ZINC000013881598 553493975 /nfs/dbraw/zinc/49/39/75/553493975.db2.gz MFHXSRUKJFWUAJ-JYRVWZFOSA-N 0 0 503.168 3.823 50 30 KHEARN C#CCOc1cc(Br)c([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OCC ZINC000013913954 553495456 /nfs/dbraw/zinc/49/54/56/553495456.db2.gz LEALVUGYWGHWAY-QFIPXVFZSA-N 0 0 514.445 3.969 50 30 KHEARN C#CCOc1cc(Br)c([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OCC ZINC000013913956 553495461 /nfs/dbraw/zinc/49/54/61/553495461.db2.gz LEALVUGYWGHWAY-JOCHJYFZSA-N 0 0 514.445 3.969 50 30 KHEARN C#CCOc1c(Br)cc([C@@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OCC ZINC000013915425 553495616 /nfs/dbraw/zinc/49/56/16/553495616.db2.gz NLRORTMDOACOSY-NRFANRHFSA-N 0 0 514.445 3.969 50 30 KHEARN C#CCOc1c(Br)cc([C@H]2NC(=S)NC(C)=C2C(=O)NCc2ccccc2)cc1OCC ZINC000013915427 553495560 /nfs/dbraw/zinc/49/55/60/553495560.db2.gz NLRORTMDOACOSY-OAQYLSRUSA-N 0 0 514.445 3.969 50 30 KHEARN C=CCOc1cc(Br)c(/C=C2/NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)cc1OC ZINC000014009368 553499263 /nfs/dbraw/zinc/49/92/63/553499263.db2.gz BCFCHNKHVCPDCD-VCHYOVAHSA-N 0 0 500.349 3.862 50 30 KHEARN C=CCN1C(=O)N/C(=C\c2cc(I)c(OCc3ccccc3C#N)c(OC)c2)C1=O ZINC000014009415 553499267 /nfs/dbraw/zinc/49/92/67/553499267.db2.gz RQSNFPDDKAGFBJ-ZDLGFXPLSA-N 0 0 515.307 3.829 50 30 KHEARN CCOC(=O)c1c(C)n(NC(=O)OC(C)(C)C)c2nc(N)c3c(N)nc(N4CCCCC4)c(C#N)c3c21 ZINC000014082944 553499975 /nfs/dbraw/zinc/49/99/75/553499975.db2.gz HHEUPGFJLLHRAS-UHFFFAOYSA-N 0 0 508.583 3.575 50 30 KHEARN CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000014356822 553512171 /nfs/dbraw/zinc/51/21/71/553512171.db2.gz BUYSWTUQRWBMRD-HXUWFJFHSA-N 0 0 518.979 3.590 50 30 KHEARN CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)N(CCC#N)c1ccccc1 ZINC000014356824 553512180 /nfs/dbraw/zinc/51/21/80/553512180.db2.gz BUYSWTUQRWBMRD-FQEVSTJZSA-N 0 0 518.979 3.590 50 30 KHEARN O=C(COC(=O)Cc1coc2cc3c(cc12)CCC3)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000014357777 553512648 /nfs/dbraw/zinc/51/26/48/553512648.db2.gz BXHIKHITLRTQKM-UHFFFAOYSA-N 0 0 523.611 3.897 50 30 KHEARN Cc1nnc(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)n1Cc1ccccc1 ZINC000014357910 553512646 /nfs/dbraw/zinc/51/26/46/553512646.db2.gz SRIZQRAVEGEMEN-UHFFFAOYSA-N 0 0 512.661 3.616 50 30 KHEARN C=CCn1c(=O)c2ccc(Cl)cc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000014359940 553513622 /nfs/dbraw/zinc/51/36/22/553513622.db2.gz VLTDKYIMRURMHK-UHFFFAOYSA-N 0 0 519.048 3.751 50 30 KHEARN C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)Nc1ccc(C)c(S(=O)(=O)N(C)C)c1 ZINC000014360819 553514112 /nfs/dbraw/zinc/51/41/12/553514112.db2.gz XCFGMGFJCNREEC-UHFFFAOYSA-N 0 0 529.688 3.895 50 30 KHEARN N#CCCN(C(=O)COC(=O)c1cccnc1SCC(=O)Nc1ccc2c(c1)OCO2)c1ccccc1 ZINC000014361181 553514323 /nfs/dbraw/zinc/51/43/23/553514323.db2.gz HLQGFFSEPOGGTC-UHFFFAOYSA-N 0 0 518.551 3.645 50 30 KHEARN C=C(Cl)COc1cc(CN(C(=O)c2cc3nc(C)cc(C)n3n2)[C@H]2CCCCNC2=O)ccc1OC ZINC000014886365 1066856588 /nfs/dbraw/zinc/85/65/88/1066856588.db2.gz DBQXYJLELRPXSJ-NRFANRHFSA-N 0 0 512.010 3.797 50 30 KHEARN COc1cc(/C=N/N2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc(OC)c1OC ZINC000015015808 553526013 /nfs/dbraw/zinc/52/60/13/553526013.db2.gz RESIPQZWDTUNMV-BBKMRNEJSA-N 0 0 504.586 3.974 50 30 KHEARN C[C@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C)N1C(=O)COc2ccccc21 ZINC000015019108 553526699 /nfs/dbraw/zinc/52/66/99/553526699.db2.gz ISYSWJPOQSTLFQ-CQSZACIVSA-N 0 0 508.629 3.844 50 30 KHEARN C[C@@H](c1nnc(SCC(=O)Nc2sc3c(c2C#N)CCCC3)n1C)N1C(=O)COc2ccccc21 ZINC000015019109 553526693 /nfs/dbraw/zinc/52/66/93/553526693.db2.gz ISYSWJPOQSTLFQ-AWEZNQCLSA-N 0 0 508.629 3.844 50 30 KHEARN Cc1c(/N=C2/c3ccccc3N(CN3CCN(c4ccccc4)CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000015218507 553528704 /nfs/dbraw/zinc/52/87/04/553528704.db2.gz RFPHANYWQONEJB-PNOGMODKSA-N 0 0 506.610 3.732 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228486 553529517 /nfs/dbraw/zinc/52/95/17/553529517.db2.gz GCCUINXGAATWRJ-SIBVEZHUSA-N 0 0 506.599 3.709 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228488 553529494 /nfs/dbraw/zinc/52/94/94/553529494.db2.gz GCCUINXGAATWRJ-AFMDSPMNSA-N 0 0 506.599 3.709 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228490 553529470 /nfs/dbraw/zinc/52/94/70/553529470.db2.gz GCCUINXGAATWRJ-BCHFMIIMSA-N 0 0 506.599 3.709 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015228492 553529528 /nfs/dbraw/zinc/52/95/28/553529528.db2.gz GCCUINXGAATWRJ-NIYFSFCBSA-N 0 0 506.599 3.709 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000015306453 553531316 /nfs/dbraw/zinc/53/13/16/553531316.db2.gz UFXHSRDYGJWIQE-GMKZXUHWSA-N 0 0 509.562 3.829 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000015306461 553531367 /nfs/dbraw/zinc/53/13/67/553531367.db2.gz UFXHSRDYGJWIQE-QPTUXGOLSA-N 0 0 509.562 3.829 50 30 KHEARN O=C1C(=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2cc(Br)ccc2N1CN1CCCCC1 ZINC000015636276 1066857380 /nfs/dbraw/zinc/85/73/80/1066857380.db2.gz BBRZPDWAKAUGDM-NMWGTECJSA-N 0 0 503.313 3.872 50 30 KHEARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@@H](NOC(=O)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000015776988 553536188 /nfs/dbraw/zinc/53/61/88/553536188.db2.gz UYHBUZLFDTYYAZ-INIZCTEOSA-N 0 0 507.783 3.877 50 30 KHEARN COc1ccc([N+](=O)[O-])cc1NC(=S)N[C@H](NOC(=O)Cc1ccccc1)C(Cl)(Cl)Cl ZINC000015776990 553536284 /nfs/dbraw/zinc/53/62/84/553536284.db2.gz UYHBUZLFDTYYAZ-MRXNPFEDSA-N 0 0 507.783 3.877 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837023 553537192 /nfs/dbraw/zinc/53/71/92/553537192.db2.gz GYRQDBKQKRTUBV-NFQMXDRXSA-N 0 0 518.610 3.875 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837026 553537212 /nfs/dbraw/zinc/53/72/12/553537212.db2.gz GYRQDBKQKRTUBV-CCLHPLFOSA-N 0 0 518.610 3.875 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837028 553537423 /nfs/dbraw/zinc/53/74/23/553537423.db2.gz GYRQDBKQKRTUBV-HRFSGMKKSA-N 0 0 518.610 3.875 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837030 553537461 /nfs/dbraw/zinc/53/74/61/553537461.db2.gz GYRQDBKQKRTUBV-DCFHFQCYSA-N 0 0 518.610 3.875 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837175 553537473 /nfs/dbraw/zinc/53/74/73/553537473.db2.gz AWGIJEALOLZRMZ-SIBVEZHUSA-N 0 0 506.599 3.709 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837179 553537506 /nfs/dbraw/zinc/53/75/06/553537506.db2.gz AWGIJEALOLZRMZ-AFMDSPMNSA-N 0 0 506.599 3.709 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837181 553537470 /nfs/dbraw/zinc/53/74/70/553537470.db2.gz AWGIJEALOLZRMZ-BCHFMIIMSA-N 0 0 506.599 3.709 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000015837185 553537370 /nfs/dbraw/zinc/53/73/70/553537370.db2.gz AWGIJEALOLZRMZ-NIYFSFCBSA-N 0 0 506.599 3.709 50 30 KHEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837223 553537428 /nfs/dbraw/zinc/53/74/28/553537428.db2.gz PMWDRZFNRWHGOO-SIBVEZHUSA-N 0 0 506.599 3.709 50 30 KHEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837226 553537442 /nfs/dbraw/zinc/53/74/42/553537442.db2.gz PMWDRZFNRWHGOO-AFMDSPMNSA-N 0 0 506.599 3.709 50 30 KHEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837229 553537498 /nfs/dbraw/zinc/53/74/98/553537498.db2.gz PMWDRZFNRWHGOO-BCHFMIIMSA-N 0 0 506.599 3.709 50 30 KHEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000015837231 553537416 /nfs/dbraw/zinc/53/74/16/553537416.db2.gz PMWDRZFNRWHGOO-NIYFSFCBSA-N 0 0 506.599 3.709 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000015880022 553539970 /nfs/dbraw/zinc/53/99/70/553539970.db2.gz PHYBJCDXCMOAAP-KFSOKAEPSA-N 0 0 509.555 3.793 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@@H]2CCCO2)cc(OC)c1OC ZINC000015880023 553539907 /nfs/dbraw/zinc/53/99/07/553539907.db2.gz PHYBJCDXCMOAAP-QJQUAVMFSA-N 0 0 509.555 3.793 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000015885016 553540161 /nfs/dbraw/zinc/54/01/61/553540161.db2.gz NAERMEWXIVECDT-QHCPKHFHSA-N 0 0 507.495 3.855 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccco2)cc(OC)c1OC ZINC000015885018 553540157 /nfs/dbraw/zinc/54/01/57/553540157.db2.gz NAERMEWXIVECDT-HSZRJFAPSA-N 0 0 507.495 3.855 50 30 KHEARN COc1ccc(NS(=O)(=O)c2ccc(NN=C3C(=O)Nc4ccc([N+](=O)[O-])cc43)c([N+](=O)[O-])c2)cc1 ZINC000015910700 553540908 /nfs/dbraw/zinc/54/09/08/553540908.db2.gz HUNLYYVYSHSVKC-UHFFFAOYSA-N 0 0 512.460 3.730 50 30 KHEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000015911333 553541124 /nfs/dbraw/zinc/54/11/24/553541124.db2.gz JVPZAHUFABPZLJ-QZTJIDSGSA-N 0 0 507.008 3.514 50 30 KHEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000015911335 553541104 /nfs/dbraw/zinc/54/11/04/553541104.db2.gz JVPZAHUFABPZLJ-HDICACEKSA-N 0 0 507.008 3.514 50 30 KHEARN CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc1 ZINC000015912232 553541609 /nfs/dbraw/zinc/54/16/09/553541609.db2.gz URZHKAYEKKTRFN-UHFFFAOYSA-N 0 0 500.621 3.579 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000015924823 553542418 /nfs/dbraw/zinc/54/24/18/553542418.db2.gz RGHSCMAKULTYNE-SSOJOUAXSA-N 0 0 503.555 3.892 50 30 KHEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000015934681 553542663 /nfs/dbraw/zinc/54/26/63/553542663.db2.gz KIRCESJJXSXZFT-XDHUDOTRSA-N 0 0 501.539 3.662 50 30 KHEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000015934682 553542607 /nfs/dbraw/zinc/54/26/07/553542607.db2.gz KIRCESJJXSXZFT-BXKMTCNYSA-N 0 0 501.539 3.662 50 30 KHEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000015934683 553542559 /nfs/dbraw/zinc/54/25/59/553542559.db2.gz KIRCESJJXSXZFT-OSPHWJPCSA-N 0 0 501.539 3.662 50 30 KHEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000015934684 553542591 /nfs/dbraw/zinc/54/25/91/553542591.db2.gz KIRCESJJXSXZFT-MZNJEOGPSA-N 0 0 501.539 3.662 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015952852 553545806 /nfs/dbraw/zinc/54/58/06/553545806.db2.gz OYYUMQNPOFFYMP-NFQMXDRXSA-N 0 0 518.610 3.875 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015952853 553545744 /nfs/dbraw/zinc/54/57/44/553545744.db2.gz OYYUMQNPOFFYMP-CCLHPLFOSA-N 0 0 518.610 3.875 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015952854 553545714 /nfs/dbraw/zinc/54/57/14/553545714.db2.gz OYYUMQNPOFFYMP-HRFSGMKKSA-N 0 0 518.610 3.875 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000015952855 553545839 /nfs/dbraw/zinc/54/58/39/553545839.db2.gz OYYUMQNPOFFYMP-DCFHFQCYSA-N 0 0 518.610 3.875 50 30 KHEARN C=CCc1ccccc1OCCOc1c(I)cc(/C=N/NC(N)=S)cc1OC ZINC000016158344 553555608 /nfs/dbraw/zinc/55/56/08/553555608.db2.gz BPILLNTVFGDELK-YDZHTSKRSA-N 0 0 511.385 3.653 50 30 KHEARN C=CCNC(=S)N/N=C/c1cc(Br)c(OS(=O)(=O)c2ccc(C)cc2)c(OCC)c1 ZINC000016158347 553555660 /nfs/dbraw/zinc/55/56/60/553555660.db2.gz HOUHDRZGAWEMDQ-YDZHTSKRSA-N 0 0 512.451 3.908 50 30 KHEARN C=CCc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3N3CCOCC3)C2=O)cc(OC)c1O ZINC000016195023 553556447 /nfs/dbraw/zinc/55/64/47/553556447.db2.gz JPOBIDPBVBCJPW-JCMHNJIXSA-N 0 0 509.584 3.641 50 30 KHEARN COCc1cc(C)nc(N=NCc2cc(Br)cc(I)c2O)c1C#N ZINC000016267714 553558072 /nfs/dbraw/zinc/55/80/72/553558072.db2.gz DVCNOVARLIMJDT-SCDVKCJHSA-N 0 0 501.122 3.927 50 30 KHEARN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000016292587 553559178 /nfs/dbraw/zinc/55/91/78/553559178.db2.gz XBGKNBBEOANGOQ-UHFFFAOYSA-N 0 0 523.611 3.762 50 30 KHEARN C=CCNC(=O)c1ccccc1NC(=O)CN(c1ccc(OC)c(OC)c1)S(=O)(=O)c1ccc(C)cc1 ZINC000016309941 553559591 /nfs/dbraw/zinc/55/95/91/553559591.db2.gz JDKZIRKUEATIMZ-UHFFFAOYSA-N 0 0 523.611 3.762 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc([N+](=O)[O-])cc3)oc21 ZINC000016319439 553559963 /nfs/dbraw/zinc/55/99/63/553559963.db2.gz MWIBUYOFBJINGY-HSZRJFAPSA-N 0 0 521.526 3.650 50 30 KHEARN C=C(C)C(=O)OC[C@H](O)COc1ccc(C(C)(C)c2ccc(OC[C@H](O)COC(=O)C(=C)C)cc2)cc1 ZINC000016347050 553560641 /nfs/dbraw/zinc/56/06/41/553560641.db2.gz AMFGWXWBFGVCKG-PSWAGMNNSA-N 0 0 512.599 3.731 50 30 in-vitro KHEARN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C(=O)OCC)cc1 ZINC000016361077 553560984 /nfs/dbraw/zinc/56/09/84/553560984.db2.gz ZKONXUMDEBSOSF-UHFFFAOYSA-N 0 0 514.007 3.955 50 30 KHEARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Br)c(OCC#N)c(OC)c1 ZINC000016361932 553561202 /nfs/dbraw/zinc/56/12/02/553561202.db2.gz JFQDAAZJNXJTGP-LJQANCHMSA-N 0 0 501.337 3.635 50 30 KHEARN COc1ccccc1NC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Br)c(OCC#N)c(OC)c1 ZINC000016361933 553561244 /nfs/dbraw/zinc/56/12/44/553561244.db2.gz JFQDAAZJNXJTGP-IBGZPJMESA-N 0 0 501.337 3.635 50 30 KHEARN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000016391965 553562034 /nfs/dbraw/zinc/56/20/34/553562034.db2.gz DEQJUPOOQIWHEL-KRWDZBQOSA-N 0 0 524.603 3.840 50 30 KHEARN C=CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)Cc1ccc(OC)cc1 ZINC000016391968 553562091 /nfs/dbraw/zinc/56/20/91/553562091.db2.gz DEQJUPOOQIWHEL-QGZVFWFLSA-N 0 0 524.603 3.840 50 30 KHEARN C=CCNC(=O)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000016425243 553563021 /nfs/dbraw/zinc/56/30/21/553563021.db2.gz AISSECBUZGDPTB-UHFFFAOYSA-N 0 0 509.584 3.697 50 30 KHEARN COC(=O)C1=C(C)N(c2ccc(F)cc2)C(=Cc2ccc(CNC(=O)C(=O)Nc3ccccc3)o2)C1=O ZINC000016606337 553569069 /nfs/dbraw/zinc/56/90/69/553569069.db2.gz PFWATWKLCVIJFA-HYARGMPZSA-N 0 0 503.486 3.551 50 30 KHEARN C=CCNC(=O)CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)C1=O ZINC000016613031 553570004 /nfs/dbraw/zinc/57/00/04/553570004.db2.gz WHFFMXVYWRJMDH-UHFFFAOYSA-N 0 0 501.414 3.577 50 30 KHEARN CCCOc1ccccc1/C=c1/s/c(=C(/C#N)C(=O)Nc2ccccc2OC)n(-c2ccccc2)c1=O ZINC000016679563 553571901 /nfs/dbraw/zinc/57/19/01/553571901.db2.gz QISLMOIGTLASFS-NKXKKADHSA-N 0 0 511.603 3.838 50 30 KHEARN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)c1 ZINC000016682360 553572253 /nfs/dbraw/zinc/57/22/53/553572253.db2.gz BNXPKBUXOYMDJE-KDSDTBODSA-N 0 0 516.619 3.598 50 30 KHEARN C#CCOc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2OC(C)C)C(C(=O)OCC)=C(C)N=3)c1 ZINC000016682361 553572245 /nfs/dbraw/zinc/57/22/45/553572245.db2.gz BNXPKBUXOYMDJE-FCYPAOMHSA-N 0 0 516.619 3.598 50 30 KHEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000016682394 553572374 /nfs/dbraw/zinc/57/23/74/553572374.db2.gz KZNGNOXXKFAORJ-XOYGFPHKSA-N 0 0 525.026 3.894 50 30 KHEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000016682395 553572353 /nfs/dbraw/zinc/57/23/53/553572353.db2.gz KZNGNOXXKFAORJ-YJADQXIJSA-N 0 0 525.026 3.894 50 30 KHEARN CCOc1ccc(NC(=O)/C(C#N)=c2\s/c(=C/c3ccccc3OCC)c(=O)n2-c2ccccc2)cc1 ZINC000016684107 553572748 /nfs/dbraw/zinc/57/27/48/553572748.db2.gz GTZSUZLNZYPJGI-TUJHGFBRSA-N 0 0 511.603 3.838 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCC)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000016699957 553574089 /nfs/dbraw/zinc/57/40/89/553574089.db2.gz YUXJBSAJTOOZEN-LBKCIFGTSA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCCC)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000016699959 553574082 /nfs/dbraw/zinc/57/40/82/553574082.db2.gz YUXJBSAJTOOZEN-QXHVWWCLSA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000016700068 553574290 /nfs/dbraw/zinc/57/42/90/553574290.db2.gz JGELRZRQQKREBV-XOYGFPHKSA-N 0 0 510.637 3.822 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccs2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000016700070 553574283 /nfs/dbraw/zinc/57/42/83/553574283.db2.gz JGELRZRQQKREBV-YJADQXIJSA-N 0 0 510.637 3.822 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016700291 553574398 /nfs/dbraw/zinc/57/43/98/553574398.db2.gz NGWYZKOLBFCFID-OWXSRONMSA-N 0 0 504.608 3.760 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1 ZINC000016700293 553574445 /nfs/dbraw/zinc/57/44/45/553574445.db2.gz NGWYZKOLBFCFID-ZMIGGIFCSA-N 0 0 504.608 3.760 50 30 KHEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016731688 553577286 /nfs/dbraw/zinc/57/72/86/553577286.db2.gz KREKYVYMAKVGPC-ICSRJNTNSA-N 0 0 500.345 3.993 50 30 KHEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000016731691 553577314 /nfs/dbraw/zinc/57/73/14/553577314.db2.gz KREKYVYMAKVGPC-AZUAARDMSA-N 0 0 500.345 3.993 50 30 KHEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000016731694 553577346 /nfs/dbraw/zinc/57/73/46/553577346.db2.gz KREKYVYMAKVGPC-QUCCMNQESA-N 0 0 500.345 3.993 50 30 KHEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2C[C@H]2CCCO2)cc1 ZINC000016731697 553577277 /nfs/dbraw/zinc/57/72/77/553577277.db2.gz KREKYVYMAKVGPC-UYAOXDASSA-N 0 0 500.345 3.993 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000016734419 553578508 /nfs/dbraw/zinc/57/85/08/553578508.db2.gz FDLGQUBVADSXCG-SANMLTNESA-N 0 0 522.598 3.656 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)c(OCC)c2)cc1 ZINC000016734422 553578567 /nfs/dbraw/zinc/57/85/67/553578567.db2.gz FDLGQUBVADSXCG-AREMUKBSSA-N 0 0 522.598 3.656 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2C[C@H]2CCCO2)cc(OC)c1OC ZINC000016734782 553578700 /nfs/dbraw/zinc/57/87/00/553578700.db2.gz PHYBJCDXCMOAAP-OFJJYEOVSA-N 0 0 509.555 3.793 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000016734998 553578628 /nfs/dbraw/zinc/57/86/28/553578628.db2.gz CLAHQOQIIIQVRO-FQEVSTJZSA-N 0 0 518.360 3.953 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCOC)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000016735001 553578707 /nfs/dbraw/zinc/57/87/07/553578707.db2.gz CLAHQOQIIIQVRO-HXUWFJFHSA-N 0 0 518.360 3.953 50 30 KHEARN C=CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Br)cc1)=C(O)C(=O)N2CCCOC ZINC000016735699 553578846 /nfs/dbraw/zinc/57/88/46/553578846.db2.gz FSZGQDCUUWEQMU-VWLOTQADSA-N 0 0 511.372 3.751 50 30 KHEARN C=CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(Br)cc1)=C(O)C(=O)N2CCCOC ZINC000016735702 553578892 /nfs/dbraw/zinc/57/88/92/553578892.db2.gz FSZGQDCUUWEQMU-RUZDIDTESA-N 0 0 511.372 3.751 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000016741952 553579989 /nfs/dbraw/zinc/57/99/89/553579989.db2.gz VHVISSLZTNFLEI-JOCHJYFZSA-N 0 0 519.381 3.675 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2 ZINC000016741953 553580041 /nfs/dbraw/zinc/58/00/41/553580041.db2.gz VHVISSLZTNFLEI-QFIPXVFZSA-N 0 0 519.381 3.675 50 30 KHEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc2ccccc21 ZINC000016750476 553580564 /nfs/dbraw/zinc/58/05/64/553580564.db2.gz BNLYEWGZILSJLK-AREMUKBSSA-N 0 0 500.551 3.522 50 30 KHEARN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc2ccccc21 ZINC000016750478 553580599 /nfs/dbraw/zinc/58/05/99/553580599.db2.gz BNLYEWGZILSJLK-SANMLTNESA-N 0 0 500.551 3.522 50 30 KHEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000016750630 553580659 /nfs/dbraw/zinc/58/06/59/553580659.db2.gz YKKJJRWLNHZKNS-VWLOTQADSA-N 0 0 506.599 3.666 50 30 KHEARN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000016750633 553580575 /nfs/dbraw/zinc/58/05/75/553580575.db2.gz YKKJJRWLNHZKNS-RUZDIDTESA-N 0 0 506.599 3.666 50 30 KHEARN Clc1ccc(Cl)c(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)c1 ZINC000016949132 553584513 /nfs/dbraw/zinc/58/45/13/553584513.db2.gz OSAIWTNDDIDVKX-AFUMVMLFSA-N 0 0 504.378 3.558 50 30 KHEARN C=CCSc1nnc(-c2ccccc2NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000017043670 553587183 /nfs/dbraw/zinc/58/71/83/553587183.db2.gz QJYSMKZGYLPFTL-UHFFFAOYSA-N 0 0 521.020 3.941 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)cc1OCC ZINC000017145840 553589100 /nfs/dbraw/zinc/58/91/00/553589100.db2.gz HSQGWCFPOVOCPR-JDCXBEBJSA-N 0 0 510.637 3.823 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccs4)c(=O)n32)cc1OCC ZINC000017145842 553589160 /nfs/dbraw/zinc/58/91/60/553589160.db2.gz HSQGWCFPOVOCPR-QFVBLGFASA-N 0 0 510.637 3.823 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(C)o4)c(=O)n32)cc1OCC ZINC000017145851 553589154 /nfs/dbraw/zinc/58/91/54/553589154.db2.gz BUCUTPUXXUHYBI-WLGHQHAYSA-N 0 0 508.596 3.663 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(C)o4)c(=O)n32)cc1OCC ZINC000017145853 553589117 /nfs/dbraw/zinc/58/91/17/553589117.db2.gz BUCUTPUXXUHYBI-NLZIUFDSSA-N 0 0 508.596 3.663 50 30 KHEARN C=CCn1c(CSc2nc(C)cc(C)n2)nnc1SCC(=O)Nc1nc(C)c(C(=O)OCC)s1 ZINC000017195094 553590198 /nfs/dbraw/zinc/59/01/98/553590198.db2.gz JVQNUGQMSOYADA-UHFFFAOYSA-N 0 0 519.678 3.836 50 30 KHEARN CCOC(=O)c1ccc(S(=O)(=O)[N-]c2nc3cc(S(=O)(=O)N=C4CCCCCN4)ccc3s2)cc1 ZINC000017546315 553597629 /nfs/dbraw/zinc/59/76/29/553597629.db2.gz WDJQTYXRRRRHRI-UHFFFAOYSA-N 0 0 536.657 3.525 50 30 KHEARN CCOCCCn1c(=O)c2ccccc2nc1SCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000017595758 553598501 /nfs/dbraw/zinc/59/85/01/553598501.db2.gz LEIIXSXKUWYFJH-UHFFFAOYSA-N 0 0 571.725 3.805 50 30 KHEARN CN1c2ccccc2C(C)(C)/C1=C\C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000018037659 1066487423 /nfs/dbraw/zinc/48/74/23/1066487423.db2.gz KCLJEQVZHAQPPG-GQBVICOWSA-N 0 0 503.020 3.917 50 30 KHEARN COc1ccc([C@H]2N(/C(C)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000018045457 553602015 /nfs/dbraw/zinc/60/20/15/553602015.db2.gz BMILNYSJTHEQHK-QXPVHIISSA-N 0 0 513.641 3.816 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)NC(=Nc2nc(C)cc(C)n2)NCCc2c[nH]c3ccccc23)cc1 ZINC000018063638 553602896 /nfs/dbraw/zinc/60/28/96/553602896.db2.gz MSHSLLVGPIGZLW-UHFFFAOYSA-N 0 0 505.604 3.522 50 30 KHEARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)N=C(NCc2ccccc2)Nc2nc(C)cc(C)n2)c1 ZINC000018083924 553603747 /nfs/dbraw/zinc/60/37/47/553603747.db2.gz RFYVBLUYIHCSOL-UHFFFAOYSA-N 0 0 506.588 3.621 50 30 KHEARN CCOc1ccc2[nH]c(SCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)nc2c1 ZINC000018125045 561758185 /nfs/dbraw/zinc/75/81/85/561758185.db2.gz BEBBTYHKCVBSHQ-UHFFFAOYSA-N 0 0 501.634 3.943 50 30 KHEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@H]2c1cccc(OC(=O)c2ccccc2F)c1 ZINC000018180281 553607516 /nfs/dbraw/zinc/60/75/16/553607516.db2.gz TVQPVGVVZXKPDA-OAQYLSRUSA-N 0 0 509.493 3.607 50 30 KHEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@@H]2c1cccc(OC(=O)c2ccccc2F)c1 ZINC000018180285 553607534 /nfs/dbraw/zinc/60/75/34/553607534.db2.gz TVQPVGVVZXKPDA-NRFANRHFSA-N 0 0 509.493 3.607 50 30 KHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH][nH]c(=O)c2[C@H]3c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OC ZINC000018197789 553608937 /nfs/dbraw/zinc/60/89/37/553608937.db2.gz METTWRGFIZYHPH-QKVFXAPYSA-N 0 0 506.471 3.728 50 30 KHEARN COc1cc(OC)c([C@@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OC ZINC000018198290 553609418 /nfs/dbraw/zinc/60/94/18/553609418.db2.gz BLQBJRQQLKITLY-DLUDVSRJSA-N 0 0 522.558 3.745 50 30 KHEARN COc1cc(OC)c([C@H]2C3C(=O)C[C@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OC ZINC000018198292 553609439 /nfs/dbraw/zinc/60/94/39/553609439.db2.gz BLQBJRQQLKITLY-PWECECGKSA-N 0 0 522.558 3.745 50 30 KHEARN COc1cc(OC)c([C@@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OC ZINC000018198293 553609525 /nfs/dbraw/zinc/60/95/25/553609525.db2.gz BLQBJRQQLKITLY-HWRSSNJWSA-N 0 0 522.558 3.745 50 30 KHEARN COc1cc(OC)c([C@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc1OC ZINC000018198295 553609466 /nfs/dbraw/zinc/60/94/66/553609466.db2.gz BLQBJRQQLKITLY-SXBQZSJRSA-N 0 0 522.558 3.745 50 30 KHEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@@H]3[C@@H](C)Cc3ccc4c(c3)OCO4)C2)cc1OC ZINC000018199143 553610020 /nfs/dbraw/zinc/61/00/20/553610020.db2.gz YWFZGWVMNHGDQW-IYCMYEMBSA-N 0 0 503.559 3.852 50 30 KHEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@H]3[C@@H](C)Cc3ccc4c(c3)OCO4)C2)cc1OC ZINC000018199146 553610049 /nfs/dbraw/zinc/61/00/49/553610049.db2.gz YWFZGWVMNHGDQW-LIHGKODYSA-N 0 0 503.559 3.852 50 30 KHEARN CCOC(=O)c1c2cc(O)c(Br)cc2n(Cc2ccccc2)c1CN1CCN(CC#N)CC1 ZINC000019830808 553622553 /nfs/dbraw/zinc/62/25/53/553622553.db2.gz SHUKUMSOUYJFIY-UHFFFAOYSA-N 0 0 511.420 3.976 50 30 KHEARN CC[C@@H](Sc1nc(N)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)c1C#N)C(=O)Nc1cc(C)on1 ZINC000019848559 553623626 /nfs/dbraw/zinc/62/36/26/553623626.db2.gz AOTWBHHBUWNTGD-GOSISDBHSA-N 0 0 508.560 3.906 50 30 KHEARN CC[C@H](Sc1nc(N)c(C#N)c(-c2cc(OC)c(OC)c(OC)c2)c1C#N)C(=O)Nc1cc(C)on1 ZINC000019848560 553623644 /nfs/dbraw/zinc/62/36/44/553623644.db2.gz AOTWBHHBUWNTGD-SFHVURJKSA-N 0 0 508.560 3.906 50 30 KHEARN COc1cccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[nH]c(=O)n(-c4ccc(F)cc4)c3N2)c1 ZINC000019848652 553623636 /nfs/dbraw/zinc/62/36/36/553623636.db2.gz CSUDUDQQAODRAZ-UHFFFAOYSA-N 0 0 502.346 3.866 50 30 KHEARN COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1nc(N)c(C#N)c(-c2ccccc2)c1C#N ZINC000019853107 553624022 /nfs/dbraw/zinc/62/40/22/553624022.db2.gz IVIQDGSMKYNMAA-UHFFFAOYSA-N 0 0 503.540 3.609 50 30 KHEARN COC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019857955 553628855 /nfs/dbraw/zinc/62/88/55/553628855.db2.gz JYEVLAIIFGOVMB-KBJGYGKASA-N 0 0 527.595 3.708 50 30 KHEARN COC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](c3cccs3)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000019857959 553628944 /nfs/dbraw/zinc/62/89/44/553628944.db2.gz JYEVLAIIFGOVMB-UZQPLGKSSA-N 0 0 527.595 3.708 50 30 KHEARN CC1=NN(c2ccccc2)C(=O)C1=C(NNS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1c(C)cccc1C ZINC000019863943 553629314 /nfs/dbraw/zinc/62/93/14/553629314.db2.gz JNNIFAQVIXCGHP-WQQDDYOMSA-N 0 0 517.611 3.924 50 30 KHEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)cc1 ZINC000019900235 553632881 /nfs/dbraw/zinc/63/28/81/553632881.db2.gz UVEANWYDOUDFKZ-ORDRXGECSA-N 0 0 532.732 3.557 50 30 KHEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)cc1 ZINC000019900237 553632921 /nfs/dbraw/zinc/63/29/21/553632921.db2.gz UVEANWYDOUDFKZ-PIJNJCDPSA-N 0 0 532.732 3.557 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000019996535 553653014 /nfs/dbraw/zinc/65/30/14/553653014.db2.gz QWOGZMXQJOUMCU-OAQYLSRUSA-N 0 0 503.368 3.889 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000019996539 553653000 /nfs/dbraw/zinc/65/30/00/553653000.db2.gz QWOGZMXQJOUMCU-NRFANRHFSA-N 0 0 503.368 3.889 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000019997580 553652980 /nfs/dbraw/zinc/65/29/80/553652980.db2.gz QAEJNUJFMJUUPS-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000019997584 553652876 /nfs/dbraw/zinc/65/28/76/553652876.db2.gz QAEJNUJFMJUUPS-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN Cc1ccc(S(=O)(=O)NC2=C(N3CCN(C/C=C/c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000020023990 553663117 /nfs/dbraw/zinc/66/31/17/553663117.db2.gz CZVAKSPRCQEXGB-JXMROGBWSA-N 0 0 527.646 3.895 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c(OC)c1 ZINC000020024786 553663482 /nfs/dbraw/zinc/66/34/82/553663482.db2.gz CDPKFOOKUWITLJ-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c(OC)c1 ZINC000020024789 553663476 /nfs/dbraw/zinc/66/34/76/553663476.db2.gz CDPKFOOKUWITLJ-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN O=C1c2ccccc2C(=O)C(N2CCN(C/C=C/c3ccccc3)CC2)=C1NS(=O)(=O)c1ccccc1 ZINC000020025384 553663503 /nfs/dbraw/zinc/66/35/03/553663503.db2.gz QCNWGPBYOYFUEV-FMIVXFBMSA-N 0 0 513.619 3.587 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000020025825 553663513 /nfs/dbraw/zinc/66/35/13/553663513.db2.gz ZHOSCSAVHIWUTD-OAQYLSRUSA-N 0 0 503.368 3.889 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc(F)cc1 ZINC000020025827 553663497 /nfs/dbraw/zinc/66/34/97/553663497.db2.gz ZHOSCSAVHIWUTD-NRFANRHFSA-N 0 0 503.368 3.889 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000020029417 553664177 /nfs/dbraw/zinc/66/41/77/553664177.db2.gz DHXNSPXJRHHARW-QFIPXVFZSA-N 0 0 500.979 3.658 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000020029418 553664173 /nfs/dbraw/zinc/66/41/73/553664173.db2.gz DHXNSPXJRHHARW-JOCHJYFZSA-N 0 0 500.979 3.658 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000020057712 553670963 /nfs/dbraw/zinc/67/09/63/553670963.db2.gz YIXFKINCODXFFH-RUZDIDTESA-N 0 0 523.586 3.991 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000020057713 553671061 /nfs/dbraw/zinc/67/10/61/553671061.db2.gz YIXFKINCODXFFH-VWLOTQADSA-N 0 0 523.586 3.991 50 30 KHEARN COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(=O)[nH]c(=O)n(-c4ccccc4F)c3N2)cc1 ZINC000020058619 553671585 /nfs/dbraw/zinc/67/15/85/553671585.db2.gz DXRAECSZUPMDPC-UHFFFAOYSA-N 0 0 502.346 3.866 50 30 KHEARN CN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(CN3CCOCC3)cc2)c2ccccc2S1(=O)=O ZINC000020058971 553671605 /nfs/dbraw/zinc/67/16/05/553671605.db2.gz DTGUMAAPHITBQD-UHFFFAOYSA-N 0 0 518.591 3.561 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020065682 553675478 /nfs/dbraw/zinc/67/54/78/553675478.db2.gz OTYVBKKGKIFPAB-QFIPXVFZSA-N 0 0 515.404 3.758 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020065684 553675709 /nfs/dbraw/zinc/67/57/09/553675709.db2.gz OTYVBKKGKIFPAB-JOCHJYFZSA-N 0 0 515.404 3.758 50 30 KHEARN CCOc1ccc(CN=Nc2nc(Nc3ccc([N+](=O)[O-])cc3)nc(N3CCOCC3)n2)cc1OCC ZINC000020072819 553676402 /nfs/dbraw/zinc/67/64/02/553676402.db2.gz WDGGBZLTCCFVIM-PCLIKHOPSA-N 0 0 508.539 3.603 50 30 KHEARN O=[N+]([O-])c1ccc(N2CCCC2)c(C=[NH+][N-]c2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCCC2)c1 ZINC000020075590 553676279 /nfs/dbraw/zinc/67/62/79/553676279.db2.gz IBTFHPRXYMLJIE-XQNSMLJCSA-N 0 0 502.553 3.724 50 30 KHEARN CCN(CC)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1F ZINC000020076043 553676292 /nfs/dbraw/zinc/67/62/92/553676292.db2.gz VFNJTCOEIIULAK-HUXSYLCKSA-N 0 0 505.572 3.592 50 30 KHEARN CCN(CC)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1N=NCc1ccccc1F ZINC000020076046 553676224 /nfs/dbraw/zinc/67/62/24/553676224.db2.gz VFNJTCOEIIULAK-NSRYLYFRSA-N 0 0 505.572 3.592 50 30 KHEARN CCN(CC)C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N(C)C)cc1 ZINC000020076435 553676297 /nfs/dbraw/zinc/67/62/97/553676297.db2.gz ZGSSMERELVSICU-HXTHCWADSA-N 0 0 530.651 3.518 50 30 KHEARN CCN(CC)C(=O)[C@H]1CCCCN1S(=O)(=O)c1cc([N+](=O)[O-])ccc1[N-][NH+]=Cc1ccc(N(C)C)cc1 ZINC000020076438 553676388 /nfs/dbraw/zinc/67/63/88/553676388.db2.gz ZGSSMERELVSICU-ZCBHOAFYSA-N 0 0 530.651 3.518 50 30 KHEARN COc1cc([C@@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000020086006 553686043 /nfs/dbraw/zinc/68/60/43/553686043.db2.gz BZYZUSHZLVZVJN-LFPIHBKWSA-N 0 0 522.558 3.745 50 30 KHEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000020086008 553686034 /nfs/dbraw/zinc/68/60/34/553686034.db2.gz BZYZUSHZLVZVJN-JBEBIEQOSA-N 0 0 522.558 3.745 50 30 KHEARN COc1cc([C@H]2C3C(=O)C[C@@H](c4cc(OC)c(OC)c(OC)c4)CC3=Nc3ncnn32)cc(OC)c1OC ZINC000020086010 553686024 /nfs/dbraw/zinc/68/60/24/553686024.db2.gz BZYZUSHZLVZVJN-BSEYFRJRSA-N 0 0 522.558 3.745 50 30 KHEARN COc1cc([C@H]2CC(=O)C3C(=Nc4ncnn4[C@H]3c3cc(OC)c(OC)c(OC)c3)C2)cc(OC)c1OC ZINC000020086012 553686012 /nfs/dbraw/zinc/68/60/12/553686012.db2.gz BZYZUSHZLVZVJN-SHACYNPGSA-N 0 0 522.558 3.745 50 30 KHEARN CCOc1cc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000020100600 553686673 /nfs/dbraw/zinc/68/66/73/553686673.db2.gz NEQPICKOHHMDPB-QHCPKHFHSA-N 0 0 500.979 3.745 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000020100603 553686793 /nfs/dbraw/zinc/68/67/93/553686793.db2.gz NEQPICKOHHMDPB-HSZRJFAPSA-N 0 0 500.979 3.745 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020102548 553687666 /nfs/dbraw/zinc/68/76/66/553687666.db2.gz CHCKMEBYCIRHQT-SANMLTNESA-N 0 0 524.614 3.712 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020102552 553687689 /nfs/dbraw/zinc/68/76/89/553687689.db2.gz CHCKMEBYCIRHQT-AREMUKBSSA-N 0 0 524.614 3.712 50 30 KHEARN NS(=O)(=O)c1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1 ZINC000020103085 553687632 /nfs/dbraw/zinc/68/76/32/553687632.db2.gz TXGJMCANVUSENY-OKPNVDCHSA-N 0 0 512.588 3.634 50 30 KHEARN NS(=O)(=O)c1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S/C2=N\c2ccccc2)cc1 ZINC000020103087 553687624 /nfs/dbraw/zinc/68/76/24/553687624.db2.gz TXGJMCANVUSENY-QTEAAIINSA-N 0 0 512.588 3.634 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020131337 553591611 /nfs/dbraw/zinc/59/16/11/553591611.db2.gz DJKHOMSLDMODAE-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020131341 553591649 /nfs/dbraw/zinc/59/16/49/553591649.db2.gz DJKHOMSLDMODAE-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020131403 553591643 /nfs/dbraw/zinc/59/16/43/553591643.db2.gz JTJOENLNTQHRKC-SANMLTNESA-N 0 0 524.614 3.712 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020131407 553591725 /nfs/dbraw/zinc/59/17/25/553591725.db2.gz JTJOENLNTQHRKC-AREMUKBSSA-N 0 0 524.614 3.712 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000020132427 553591925 /nfs/dbraw/zinc/59/19/25/553591925.db2.gz VUAXMKPYXIQMOQ-DEOSSOPVSA-N 0 0 506.555 3.751 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000020132430 553591976 /nfs/dbraw/zinc/59/19/76/553591976.db2.gz VUAXMKPYXIQMOQ-XMMPIXPASA-N 0 0 506.555 3.751 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000020133993 553592636 /nfs/dbraw/zinc/59/26/36/553592636.db2.gz MWWNERRGYCUQAZ-SANMLTNESA-N 0 0 500.599 3.790 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C)cc2)cnn1-c1ccccc1 ZINC000020133997 553592580 /nfs/dbraw/zinc/59/25/80/553592580.db2.gz MWWNERRGYCUQAZ-AREMUKBSSA-N 0 0 500.599 3.790 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020135202 553593535 /nfs/dbraw/zinc/59/35/35/553593535.db2.gz KPHFFIASATWEQM-MHZLTWQESA-N 0 0 530.625 3.880 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020135207 553593556 /nfs/dbraw/zinc/59/35/56/553593556.db2.gz KPHFFIASATWEQM-HHHXNRCGSA-N 0 0 530.625 3.880 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020149967 553594953 /nfs/dbraw/zinc/59/49/53/553594953.db2.gz IXYOQFVEUODYEY-VWLOTQADSA-N 0 0 506.555 3.751 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020149968 553594911 /nfs/dbraw/zinc/59/49/11/553594911.db2.gz IXYOQFVEUODYEY-RUZDIDTESA-N 0 0 506.555 3.751 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020150115 553594938 /nfs/dbraw/zinc/59/49/38/553594938.db2.gz UURBLHGIMIYDFH-VWLOTQADSA-N 0 0 506.555 3.751 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020150116 553594897 /nfs/dbraw/zinc/59/48/97/553594897.db2.gz UURBLHGIMIYDFH-RUZDIDTESA-N 0 0 506.555 3.751 50 30 KHEARN C=CCN(C(=O)Cn1c2ccccc2c(=O)n(CCCS(=O)(=O)C2CCCCC2)c1=O)c1ccccc1 ZINC000020153291 553598072 /nfs/dbraw/zinc/59/80/72/553598072.db2.gz DDHMMWOXYFCMSH-UHFFFAOYSA-N 0 0 523.655 3.520 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000020171432 553601943 /nfs/dbraw/zinc/60/19/43/553601943.db2.gz QNOPWPRPGSMAAX-OAQYLSRUSA-N 0 0 503.368 3.889 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1)c1ccc(F)cc1 ZINC000020171434 553602051 /nfs/dbraw/zinc/60/20/51/553602051.db2.gz QNOPWPRPGSMAAX-NRFANRHFSA-N 0 0 503.368 3.889 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000020175535 553601956 /nfs/dbraw/zinc/60/19/56/553601956.db2.gz PJNFQLOZNNQBOO-OWOPXTPDSA-N 0 0 522.392 3.730 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000020175537 553601933 /nfs/dbraw/zinc/60/19/33/553601933.db2.gz PJNFQLOZNNQBOO-JVMOKEISSA-N 0 0 522.392 3.730 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)ccc1O ZINC000020175783 553602000 /nfs/dbraw/zinc/60/20/00/553602000.db2.gz JKEPKARZWJKMED-UPNLOYSTSA-N 0 0 503.617 3.700 50 30 KHEARN COc1cccc(C(=O)Cc2nc3ccc(C(=O)N4CCN(c5ccccc5F)CC4)cc3[nH]c2=O)c1 ZINC000020177153 553602769 /nfs/dbraw/zinc/60/27/69/553602769.db2.gz NHZMZGIENJLPOM-ULJHMMPZSA-N 0 0 500.530 3.928 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020190394 553605315 /nfs/dbraw/zinc/60/53/15/553605315.db2.gz PVEXLLVMEXDXRJ-UPNLOYSTSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000020190396 553605221 /nfs/dbraw/zinc/60/52/21/553605221.db2.gz PVEXLLVMEXDXRJ-OTPBECDQSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000020190404 553605340 /nfs/dbraw/zinc/60/53/40/553605340.db2.gz VNCYSQOIBUCSSL-NNIZRDCOSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(OC)cc1OC ZINC000020190405 553605232 /nfs/dbraw/zinc/60/52/32/553605232.db2.gz VNCYSQOIBUCSSL-RUGFAHKUSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000020190416 553605268 /nfs/dbraw/zinc/60/52/68/553605268.db2.gz XQSQEUYGDKJYJS-UPNLOYSTSA-N 0 0 503.617 3.613 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000020190418 553605252 /nfs/dbraw/zinc/60/52/52/553605252.db2.gz XQSQEUYGDKJYJS-OTPBECDQSA-N 0 0 503.617 3.613 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(C)c([N+](=O)[O-])c1 ZINC000020190479 553605575 /nfs/dbraw/zinc/60/55/75/553605575.db2.gz NKWLCUSQAKKJBF-ZKYUUJBMSA-N 0 0 502.589 3.813 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000020190600 553605623 /nfs/dbraw/zinc/60/56/23/553605623.db2.gz OMFYJLGJUIYCMO-UPNLOYSTSA-N 0 0 501.601 3.521 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC(C)=O)cc1 ZINC000020190602 553605539 /nfs/dbraw/zinc/60/55/39/553605539.db2.gz OMFYJLGJUIYCMO-OTPBECDQSA-N 0 0 501.601 3.521 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(OC)cc1OC ZINC000020190667 553605597 /nfs/dbraw/zinc/60/55/97/553605597.db2.gz SNQPUVQCUCCBCB-UPNLOYSTSA-N 0 0 503.617 3.613 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OC)cc1OC ZINC000020190670 553605528 /nfs/dbraw/zinc/60/55/28/553605528.db2.gz SNQPUVQCUCCBCB-OTPBECDQSA-N 0 0 503.617 3.613 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cccc(OC)c1OC ZINC000020190856 553605812 /nfs/dbraw/zinc/60/58/12/553605812.db2.gz FALGEIBFCJKPKU-UQIDSAAFSA-N 0 0 503.617 3.613 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cccc(OC)c1OC ZINC000020190858 553605821 /nfs/dbraw/zinc/60/58/21/553605821.db2.gz FALGEIBFCJKPKU-ZKYUUJBMSA-N 0 0 503.617 3.613 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1coc2ccccc2c1=O ZINC000020190928 553605859 /nfs/dbraw/zinc/60/58/59/553605859.db2.gz ARYKETISLVXUSG-UPNLOYSTSA-N 0 0 511.596 3.702 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1coc2ccccc2c1=O ZINC000020190930 553605920 /nfs/dbraw/zinc/60/59/20/553605920.db2.gz ARYKETISLVXUSG-OTPBECDQSA-N 0 0 511.596 3.702 50 30 KHEARN C=CCc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(OC)c1OCc1ccccc1 ZINC000020206278 553607260 /nfs/dbraw/zinc/60/72/60/553607260.db2.gz UBDAAPDHKFPDAI-JLFKZYKSSA-N 0 0 510.597 3.624 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020219306 553614773 /nfs/dbraw/zinc/61/47/73/553614773.db2.gz VABIBANUFVGPTH-SANMLTNESA-N 0 0 522.598 3.547 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020219307 553614729 /nfs/dbraw/zinc/61/47/29/553614729.db2.gz VABIBANUFVGPTH-AREMUKBSSA-N 0 0 522.598 3.547 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccccc3OC)oc21 ZINC000020219374 553614827 /nfs/dbraw/zinc/61/48/27/553614827.db2.gz CIHRJUDRIIIIKQ-DEOSSOPVSA-N 0 0 506.555 3.751 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccccc3OC)oc21 ZINC000020219375 553614718 /nfs/dbraw/zinc/61/47/18/553614718.db2.gz CIHRJUDRIIIIKQ-XMMPIXPASA-N 0 0 506.555 3.751 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020219376 553614804 /nfs/dbraw/zinc/61/48/04/553614804.db2.gz LQXRXMWTSVGYMA-DEOSSOPVSA-N 0 0 506.555 3.751 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000020219377 553614713 /nfs/dbraw/zinc/61/47/13/553614713.db2.gz LQXRXMWTSVGYMA-XMMPIXPASA-N 0 0 506.555 3.751 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020219378 553615148 /nfs/dbraw/zinc/61/51/48/553615148.db2.gz XDINNLJSRYIACI-DEOSSOPVSA-N 0 0 506.555 3.751 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020219379 553615093 /nfs/dbraw/zinc/61/50/93/553615093.db2.gz XDINNLJSRYIACI-XMMPIXPASA-N 0 0 506.555 3.751 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020219837 553615758 /nfs/dbraw/zinc/61/57/58/553615758.db2.gz KRLNKIIQSJSIOD-DEOSSOPVSA-N 0 0 506.555 3.751 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020219838 553615749 /nfs/dbraw/zinc/61/57/49/553615749.db2.gz KRLNKIIQSJSIOD-XMMPIXPASA-N 0 0 506.555 3.751 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020228934 553616677 /nfs/dbraw/zinc/61/66/77/553616677.db2.gz AGPFXFHEHGBNRT-SANMLTNESA-N 0 0 522.598 3.569 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000020228937 553616742 /nfs/dbraw/zinc/61/67/42/553616742.db2.gz AGPFXFHEHGBNRT-AREMUKBSSA-N 0 0 522.598 3.569 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)cc2)cc1 ZINC000020229672 553616639 /nfs/dbraw/zinc/61/66/39/553616639.db2.gz GZJJACBSGBADGC-SANMLTNESA-N 0 0 506.599 3.951 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)cc2)cc1 ZINC000020229674 553616685 /nfs/dbraw/zinc/61/66/85/553616685.db2.gz GZJJACBSGBADGC-AREMUKBSSA-N 0 0 506.599 3.951 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccnc3)cc2)c1 ZINC000020229784 553617151 /nfs/dbraw/zinc/61/71/51/553617151.db2.gz JRUOPLJVFVIKMX-HHHXNRCGSA-N 0 0 513.594 3.880 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccnc3)cc2)c1 ZINC000020229787 553617046 /nfs/dbraw/zinc/61/70/46/553617046.db2.gz JRUOPLJVFVIKMX-MHZLTWQESA-N 0 0 513.594 3.880 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020230433 553617110 /nfs/dbraw/zinc/61/71/10/553617110.db2.gz ZXGZAVMQHKAUDX-SANMLTNESA-N 0 0 524.614 3.793 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020230436 553617057 /nfs/dbraw/zinc/61/70/57/553617057.db2.gz ZXGZAVMQHKAUDX-AREMUKBSSA-N 0 0 524.614 3.793 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020231954 553617682 /nfs/dbraw/zinc/61/76/82/553617682.db2.gz VDNGFZDCBZGQDH-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000020231960 553617747 /nfs/dbraw/zinc/61/77/47/553617747.db2.gz VDNGFZDCBZGQDH-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020234223 553620359 /nfs/dbraw/zinc/62/03/59/553620359.db2.gz UNIIGHFMICUJQN-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000020234228 553620328 /nfs/dbraw/zinc/62/03/28/553620328.db2.gz UNIIGHFMICUJQN-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020234417 553620317 /nfs/dbraw/zinc/62/03/17/553620317.db2.gz JXVCBTIUAAILQZ-AREMUKBSSA-N 0 0 504.583 3.727 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC=C)cc2)cc1 ZINC000020234422 553620589 /nfs/dbraw/zinc/62/05/89/553620589.db2.gz JXVCBTIUAAILQZ-SANMLTNESA-N 0 0 504.583 3.727 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020262890 553629412 /nfs/dbraw/zinc/62/94/12/553629412.db2.gz QINDJBGASUQLKH-SANMLTNESA-N 0 0 524.614 3.793 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020262893 553629381 /nfs/dbraw/zinc/62/93/81/553629381.db2.gz QINDJBGASUQLKH-AREMUKBSSA-N 0 0 524.614 3.793 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264053 553629472 /nfs/dbraw/zinc/62/94/72/553629472.db2.gz ULDAMJJBHLCUFS-QHCPKHFHSA-N 0 0 500.617 3.846 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264056 553629406 /nfs/dbraw/zinc/62/94/06/553629406.db2.gz ULDAMJJBHLCUFS-HSZRJFAPSA-N 0 0 500.617 3.846 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264184 553629845 /nfs/dbraw/zinc/62/98/45/553629845.db2.gz AZZPEIZAFDHYCE-VWLOTQADSA-N 0 0 512.578 3.924 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000020264187 553629907 /nfs/dbraw/zinc/62/99/07/553629907.db2.gz AZZPEIZAFDHYCE-RUZDIDTESA-N 0 0 512.578 3.924 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020264535 553629871 /nfs/dbraw/zinc/62/98/71/553629871.db2.gz HQPLXEXBQMNHFA-SANMLTNESA-N 0 0 506.599 3.949 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC(C)C)cc2)cc1 ZINC000020264538 553629785 /nfs/dbraw/zinc/62/97/85/553629785.db2.gz HQPLXEXBQMNHFA-AREMUKBSSA-N 0 0 506.599 3.949 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000020264654 553629767 /nfs/dbraw/zinc/62/97/67/553629767.db2.gz CADOKVMSCSXIDC-VWLOTQADSA-N 0 0 512.578 3.924 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000020264657 553629838 /nfs/dbraw/zinc/62/98/38/553629838.db2.gz CADOKVMSCSXIDC-RUZDIDTESA-N 0 0 512.578 3.924 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020265193 553630109 /nfs/dbraw/zinc/63/01/09/553630109.db2.gz HQWXGLYDKWYYAT-QHCPKHFHSA-N 0 0 500.979 3.658 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OC ZINC000020265197 553630012 /nfs/dbraw/zinc/63/00/12/553630012.db2.gz HQWXGLYDKWYYAT-HSZRJFAPSA-N 0 0 500.979 3.658 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000020265308 553630016 /nfs/dbraw/zinc/63/00/16/553630016.db2.gz NTHPIQJBXLSGCA-RUZDIDTESA-N 0 0 508.615 3.912 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000020265311 553630042 /nfs/dbraw/zinc/63/00/42/553630042.db2.gz NTHPIQJBXLSGCA-VWLOTQADSA-N 0 0 508.615 3.912 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000020280666 553631015 /nfs/dbraw/zinc/63/10/15/553631015.db2.gz IUJKQZMMFNLBQV-QHCPKHFHSA-N 0 0 500.617 3.846 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000020280670 553631076 /nfs/dbraw/zinc/63/10/76/553631076.db2.gz IUJKQZMMFNLBQV-HSZRJFAPSA-N 0 0 500.617 3.846 50 30 KHEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000020288897 553633959 /nfs/dbraw/zinc/63/39/59/553633959.db2.gz PUYQFVNONZLYOT-SANMLTNESA-N 0 0 522.598 3.547 50 30 KHEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000020288899 553633982 /nfs/dbraw/zinc/63/39/82/553633982.db2.gz PUYQFVNONZLYOT-AREMUKBSSA-N 0 0 522.598 3.547 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000020308938 553636310 /nfs/dbraw/zinc/63/63/10/553636310.db2.gz JUCHENIQOTYPTO-NRFANRHFSA-N 0 0 504.967 3.601 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3cc(Cl)ccc3[O-])=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000020308940 553636340 /nfs/dbraw/zinc/63/63/40/553636340.db2.gz JUCHENIQOTYPTO-OAQYLSRUSA-N 0 0 504.967 3.601 50 30 KHEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020309280 553636722 /nfs/dbraw/zinc/63/67/22/553636722.db2.gz UDTYBNIKDWIFKU-FQEVSTJZSA-N 0 0 518.364 3.983 50 30 KHEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020309282 553636770 /nfs/dbraw/zinc/63/67/70/553636770.db2.gz UDTYBNIKDWIFKU-HXUWFJFHSA-N 0 0 518.364 3.983 50 30 KHEARN N#Cc1c([C@@](C#N)(c2ccccc2)N2CCOCC2)cccc1[C@@](C#N)(c1ccccc1)N1CCOCC1 ZINC000020405639 553645734 /nfs/dbraw/zinc/64/57/34/553645734.db2.gz CJMNYHNNOKUKSG-FIRIVFDPSA-N 0 0 503.606 3.757 50 30 KHEARN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000020406940 553645929 /nfs/dbraw/zinc/64/59/29/553645929.db2.gz PGSRPWKVXUOSDC-SSEXGKCCSA-N 0 0 529.593 3.644 50 30 KHEARN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1cc3ccccc3o1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000020406941 553646080 /nfs/dbraw/zinc/64/60/80/553646080.db2.gz PGSRPWKVXUOSDC-PMERELPUSA-N 0 0 529.593 3.644 50 30 KHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000020421590 553647956 /nfs/dbraw/zinc/64/79/56/553647956.db2.gz IHZQNINFKDBSIC-RUZDIDTESA-N 0 0 500.551 3.893 50 30 KHEARN COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(OCCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000020421592 553647989 /nfs/dbraw/zinc/64/79/89/553647989.db2.gz IHZQNINFKDBSIC-VWLOTQADSA-N 0 0 500.551 3.893 50 30 KHEARN COc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCC#N ZINC000020512534 553668677 /nfs/dbraw/zinc/66/86/77/553668677.db2.gz ALSMAAFWQKSVIJ-UHFFFAOYSA-N 0 0 504.324 3.903 50 30 KHEARN COc1ccc(-c2nn(Cc3ccccc3)cc2/C=N\NS(=O)(=O)c2cc(OC)ccc2OC)cc1 ZINC000020568818 553673953 /nfs/dbraw/zinc/67/39/53/553673953.db2.gz JRVRQSJROWZDTC-YUMHPJSZSA-N 0 0 506.584 3.937 50 30 KHEARN COc1ccc(S(=O)(=O)N/N=C(/C)c2cccc(NC(=O)c3ccc(OC)c(OC)c3)c2)c(OC)c1 ZINC000020568928 553674269 /nfs/dbraw/zinc/67/42/69/553674269.db2.gz DHHNVBILVQTVTF-YUMHPJSZSA-N 0 0 513.572 3.676 50 30 KHEARN NS(=O)(=O)c1ccc(NC=C2C(=O)c3sccc3N(Cc3ccc(Cl)cc3)S2(=O)=O)cc1 ZINC000020575769 553675610 /nfs/dbraw/zinc/67/56/10/553675610.db2.gz OSOCFCPUTIQFPV-WQRHYEAKSA-N 0 0 510.018 3.535 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000020609371 553678405 /nfs/dbraw/zinc/67/84/05/553678405.db2.gz WDNBHSVPAFOFDJ-OWOPXTPDSA-N 0 0 522.392 3.642 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000020609372 553678387 /nfs/dbraw/zinc/67/83/87/553678387.db2.gz WDNBHSVPAFOFDJ-JVMOKEISSA-N 0 0 522.392 3.642 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000020609382 553678429 /nfs/dbraw/zinc/67/84/29/553678429.db2.gz MYGMDXLQIZRDEE-QXJJSNKBSA-N 0 0 522.392 3.642 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000020609383 553678432 /nfs/dbraw/zinc/67/84/32/553678432.db2.gz MYGMDXLQIZRDEE-WLJAHRKQSA-N 0 0 522.392 3.642 50 30 KHEARN COc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2ccc(C(=O)NO)cc2)cc1 ZINC000020665226 553686617 /nfs/dbraw/zinc/68/66/17/553686617.db2.gz NBLNCOCIEGBGRX-UHFFFAOYSA-N 0 0 505.390 3.968 50 30 KHEARN CCOC(=O)N1CCN(CN2c3ccccc3/C(=N/NC(=S)Nc3c(CC)cccc3CC)C2=O)CC1 ZINC000020685298 553688474 /nfs/dbraw/zinc/68/84/74/553688474.db2.gz IIIKRRDPSQMMLQ-OLFWJLLRSA-N 0 0 522.675 3.580 50 30 KHEARN CCOC(=O)[C@@H]1CCCN(CN2C(=O)/C(=N\NC(=S)Nc3cccc(Cl)c3C)c3ccccc32)C1 ZINC000020685364 553688652 /nfs/dbraw/zinc/68/86/52/553688652.db2.gz CCFMLEQVFPEANM-LBYPAGOHSA-N 0 0 514.051 3.918 50 30 KHEARN CCOC(=O)[C@H]1CCCN(CN2C(=O)/C(=N\NC(=S)Nc3cccc(Cl)c3C)c3ccccc32)C1 ZINC000020685369 553688633 /nfs/dbraw/zinc/68/86/33/553688633.db2.gz CCFMLEQVFPEANM-BXLNZEQQSA-N 0 0 514.051 3.918 50 30 KHEARN C/C(=N\n1c(CC(=O)NCCc2ccc(Cl)cc2)csc1=N)C(=O)NCCc1ccc(Cl)cc1 ZINC000020687133 553689233 /nfs/dbraw/zinc/68/92/33/553689233.db2.gz LNIYUXMTLFRZPN-CSGXCOEZSA-N 0 0 518.470 3.820 50 30 KHEARN COc1cccc(/C=C2\Oc3c(ccc([O-])c3C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)C2=O)c1OC ZINC000020760981 553695919 /nfs/dbraw/zinc/69/59/19/553695919.db2.gz QHIBYGSFKZSZTP-XBMUHUNXSA-N 0 0 500.551 3.807 50 30 biogenic KHEARN O=C(CN1CCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000020766400 553697211 /nfs/dbraw/zinc/69/72/11/553697211.db2.gz PYQNPYPMKOGDID-UHFFFAOYSA-N 0 0 506.890 3.862 50 30 KHEARN COc1cccc(C[NH+]=C(Nc2ccc(C(=O)[O-])cc2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000021046420 553705927 /nfs/dbraw/zinc/70/59/27/553705927.db2.gz NXEBHJYNALPKJA-UHFFFAOYSA-N 0 0 502.571 3.717 50 30 KHEARN COCc1cc(C)nc(OC[C@@H]2OC(c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)=NN2C(C)=O)c1C#N ZINC000021091795 553706386 /nfs/dbraw/zinc/70/63/86/553706386.db2.gz FNJZDXANCMDZCD-QHCPKHFHSA-N 0 0 505.487 3.830 50 30 KHEARN COCc1cc(C)nc(OC[C@H]2OC(c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)=NN2C(C)=O)c1C#N ZINC000021091799 553706449 /nfs/dbraw/zinc/70/64/49/553706449.db2.gz FNJZDXANCMDZCD-HSZRJFAPSA-N 0 0 505.487 3.830 50 30 KHEARN COc1cccc(C[NH+]=C(Nc2cccc(C(=O)[O-])c2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000021096628 553706458 /nfs/dbraw/zinc/70/64/58/553706458.db2.gz QGPZOMGONUMGGN-UHFFFAOYSA-N 0 0 502.571 3.717 50 30 KHEARN N#Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)CCCN4C(=O)C3CCC3)CC2)cc1 ZINC000021114066 553706667 /nfs/dbraw/zinc/70/66/67/553706667.db2.gz ZCACDNUNFMUPRR-UHFFFAOYSA-N 0 0 506.628 3.677 50 30 KHEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000021487003 553710171 /nfs/dbraw/zinc/71/01/71/553710171.db2.gz YMGGHUFYRQNLNK-AREMUKBSSA-N 0 0 507.631 3.760 50 30 KHEARN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(N(C)C)cc2)c(C)c1 ZINC000021487004 553710202 /nfs/dbraw/zinc/71/02/02/553710202.db2.gz YMGGHUFYRQNLNK-SANMLTNESA-N 0 0 507.631 3.760 50 30 KHEARN COCCn1cc(C(=O)c2ccccc2OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C#N)c1=O ZINC000021548915 553712514 /nfs/dbraw/zinc/71/25/14/553712514.db2.gz DAGLHUFLMACADQ-UHFFFAOYSA-N 0 0 500.338 3.922 50 30 KHEARN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000022172726 553727344 /nfs/dbraw/zinc/72/73/44/553727344.db2.gz YOQQLYYHPJJUJD-YPZXTKLSSA-N 0 0 520.582 3.994 50 30 KHEARN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@@H](C(=O)OCC=C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000022172734 553727347 /nfs/dbraw/zinc/72/73/47/553727347.db2.gz YOQQLYYHPJJUJD-JDBUMTGOSA-N 0 0 520.582 3.994 50 30 KHEARN COc1ccc(Br)cc1/C=N/N(CCC(=O)NC(C)(C)C)C1=NS(=O)(=O)c2ccccc21 ZINC000022845826 553760357 /nfs/dbraw/zinc/76/03/57/553760357.db2.gz HKOZHESUSKLXNS-ZVHZXABRSA-N 0 0 521.437 3.548 50 30 KHEARN C=CCn1c(Cc2csc(NC(=O)c3nn(-c4ccccc4Cl)c(C)cc3=O)n2)n[nH]c1=S ZINC000023041887 553768848 /nfs/dbraw/zinc/76/88/48/553768848.db2.gz MWPJFSBBLDZBQJ-UHFFFAOYSA-N 0 0 500.009 3.934 50 30 KHEARN C=CCn1c(Cc2csc(NC(=O)c3nn(-c4ccc(Cl)cc4)c(C)cc3=O)n2)n[nH]c1=S ZINC000023041893 553768675 /nfs/dbraw/zinc/76/86/75/553768675.db2.gz HUVMLHHSBLCPDJ-UHFFFAOYSA-N 0 0 500.009 3.934 50 30 KHEARN COC(=O)CCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(-c4ccccc4C#N)cc3)co2)CC1 ZINC000023304487 553771957 /nfs/dbraw/zinc/77/19/57/553771957.db2.gz UDKRSRSXYLQITA-UHFFFAOYSA-N 0 0 529.593 3.745 50 30 KHEARN CC(C)(C)c1ccc(COc2coc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4)CC3)cc2=O)cc1 ZINC000023314427 553772584 /nfs/dbraw/zinc/77/25/84/553772584.db2.gz YGBKXBNWAYLPNP-UHFFFAOYSA-N 0 0 521.639 3.894 50 30 KHEARN CCOC(=O)c1nc2cc(C)c(C)cc2nc1N1CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC1 ZINC000023325494 553773119 /nfs/dbraw/zinc/77/31/19/553773119.db2.gz KTXGQJHTNDSHRF-UHFFFAOYSA-N 0 0 510.410 3.905 50 30 KHEARN C#CCOc1c(I)cc(CN=Nc2nc(C)cc(COC)c2C#N)cc1OCC ZINC000023382560 553774737 /nfs/dbraw/zinc/77/47/37/553774737.db2.gz AVFCGCDPCCLPDL-WYMPLXKRSA-N 0 0 504.328 3.869 50 30 KHEARN Cc1cc(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(-c5ccccc5C#N)cc4)co3)CC2)n(C)n1 ZINC000023434248 553776507 /nfs/dbraw/zinc/77/65/07/553776507.db2.gz HAZZQWVMRNODAC-UHFFFAOYSA-N 0 0 523.593 3.757 50 30 KHEARN O=C(N1CCN(c2nccc(-c3ccc(-n4ccnc4)cc3)n2)CC1)C(F)(F)C(F)(F)C(F)(F)F ZINC000023440570 553778470 /nfs/dbraw/zinc/77/84/70/553778470.db2.gz FBTNOVNMSXBVIA-UHFFFAOYSA-N 0 0 502.394 3.811 50 30 KHEARN Cc1cc(C(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)nn1C ZINC000023442178 553779084 /nfs/dbraw/zinc/77/90/84/553779084.db2.gz GFPJHFPRTRDAKR-GDLZYMKVSA-N 0 0 512.658 3.916 50 30 KHEARN Cc1cc(C(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)nn1C ZINC000023442181 553779063 /nfs/dbraw/zinc/77/90/63/553779063.db2.gz GFPJHFPRTRDAKR-LJAQVGFWSA-N 0 0 512.658 3.916 50 30 KHEARN Cc1cc(C(=O)N2CCN(C[C@@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)n(C)n1 ZINC000023442597 553779072 /nfs/dbraw/zinc/77/90/72/553779072.db2.gz CXBPRUDQOAIDBX-GDLZYMKVSA-N 0 0 512.658 3.916 50 30 KHEARN Cc1cc(C(=O)N2CCN(C[C@H](OCc3ccc(C#N)cc3)c3cccc(N4CCCC4)c3)CC2)n(C)n1 ZINC000023442601 553779105 /nfs/dbraw/zinc/77/91/05/553779105.db2.gz CXBPRUDQOAIDBX-LJAQVGFWSA-N 0 0 512.658 3.916 50 30 KHEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023453944 553783043 /nfs/dbraw/zinc/78/30/43/553783043.db2.gz MYQUBWHTFLEKBB-MUUNZHRXSA-N 0 0 521.639 3.840 50 30 KHEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3cccc(OC)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000023453946 553782961 /nfs/dbraw/zinc/78/29/61/553782961.db2.gz MYQUBWHTFLEKBB-NDEPHWFRSA-N 0 0 521.639 3.840 50 30 KHEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccc(C#N)cc1 ZINC000023455861 553783834 /nfs/dbraw/zinc/78/38/34/553783834.db2.gz TVWHSBPYDBTCOG-UHFFFAOYSA-N 0 0 500.646 3.648 50 30 KHEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1cccc(C#N)c1 ZINC000023456694 553784066 /nfs/dbraw/zinc/78/40/66/553784066.db2.gz KZEQTQXZHDWEOQ-UHFFFAOYSA-N 0 0 500.646 3.648 50 30 KHEARN CCOCCCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1SCc1ccccc1C#N ZINC000023457692 553784673 /nfs/dbraw/zinc/78/46/73/553784673.db2.gz DWQCENRSJOIYQS-UHFFFAOYSA-N 0 0 500.646 3.648 50 30 KHEARN C=CCn1c(COc2ccc(F)cc2)nnc1SCc1nc(=O)c2c(C)c(C(=O)OC)sc2[nH]1 ZINC000023968745 553787603 /nfs/dbraw/zinc/78/76/03/553787603.db2.gz BOKHOJADKAYJAE-UHFFFAOYSA-N 0 0 501.565 3.868 50 30 KHEARN C=CCn1c(SCC2=C(C(=O)OCC)[C@@H](c3ccco3)NC(=O)N2)nc2sc(CC)cc2c1=O ZINC000024002521 553788130 /nfs/dbraw/zinc/78/81/30/553788130.db2.gz GTBDSFFFJABNND-GOSISDBHSA-N 0 0 500.602 3.763 50 30 KHEARN C=CCn1c(SCC2=C(C(=O)OCC)[C@H](c3ccco3)NC(=O)N2)nc2sc(CC)cc2c1=O ZINC000024002523 553788221 /nfs/dbraw/zinc/78/82/21/553788221.db2.gz GTBDSFFFJABNND-SFHVURJKSA-N 0 0 500.602 3.763 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000024147573 553789733 /nfs/dbraw/zinc/78/97/33/553789733.db2.gz SGNGCGWXLCHDSM-SSEXGKCCSA-N 0 0 517.626 3.597 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000024147577 553789692 /nfs/dbraw/zinc/78/96/92/553789692.db2.gz SGNGCGWXLCHDSM-PMERELPUSA-N 0 0 517.626 3.597 50 30 KHEARN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000024192921 553790022 /nfs/dbraw/zinc/79/00/22/553790022.db2.gz UJGKNJVGIYHVAL-MUUNZHRXSA-N 0 0 524.017 3.551 50 30 KHEARN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(Cl)cc1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000024192922 553789944 /nfs/dbraw/zinc/78/99/44/553789944.db2.gz UJGKNJVGIYHVAL-NDEPHWFRSA-N 0 0 524.017 3.551 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@]23c2ccccc2N(CCC)C3=O)cc1C ZINC000024193090 553790185 /nfs/dbraw/zinc/79/01/85/553790185.db2.gz XDIJJQJCPBRRQP-GDLZYMKVSA-N 0 0 503.599 3.611 50 30 KHEARN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@]23c2ccccc2N(CCC)C3=O)cc1C ZINC000024193091 553790225 /nfs/dbraw/zinc/79/02/25/553790225.db2.gz XDIJJQJCPBRRQP-LJAQVGFWSA-N 0 0 503.599 3.611 50 30 KHEARN CCCCN1CCS(=O)(=O)c2c(Cl)c(N3CCN(CC)CC3)nc(Oc3ccc(C#N)cc3)c21 ZINC000024615676 553791030 /nfs/dbraw/zinc/79/10/30/553791030.db2.gz JZMZWJWRFUTCLI-UHFFFAOYSA-N 0 0 504.056 3.935 50 30 KHEARN c1ccc(NN=C2c3cc(OCCN4CCOCC4)ccc3-c3ccc(OCCN4CCOCC4)cc32)cc1 ZINC000024980635 553792790 /nfs/dbraw/zinc/79/27/90/553792790.db2.gz GVZQKPOWBKRIBS-UHFFFAOYSA-N 0 0 528.653 3.954 50 30 KHEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4ccc(C#N)cc4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025153643 553797505 /nfs/dbraw/zinc/79/75/05/553797505.db2.gz GFBITPUJUKZBJV-UHFFFAOYSA-N 0 0 506.566 3.945 50 30 KHEARN CCOC(=O)c1cc(-c2ccc(N3CCN(C(=O)c4cccc(C#N)c4)CC3)cc2)n(-c2ccccn2)n1 ZINC000025154061 553797676 /nfs/dbraw/zinc/79/76/76/553797676.db2.gz NLGWTXLDGHDWTC-UHFFFAOYSA-N 0 0 506.566 3.945 50 30 KHEARN CC1CCN(S(=O)(=O)c2cc(Br)cc(C(=O)OCC(=O)Nc3ccccc3C#N)c2)CC1 ZINC000025390703 553807257 /nfs/dbraw/zinc/80/72/57/553807257.db2.gz DZWILWQNVZQWPH-UHFFFAOYSA-N 0 0 520.405 3.537 50 30 KHEARN Cn1c2nc(N=NCc3ccc(OCc4ccccc4)cc3)n(CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000025540168 553809868 /nfs/dbraw/zinc/80/98/68/553809868.db2.gz IMHOXXLACAIYCI-NDZAJKAJSA-N 0 0 508.582 3.701 50 30 KHEARN Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(CCc3ccccc3)c2c(=O)n(C)c1=O ZINC000025540256 553809836 /nfs/dbraw/zinc/80/98/36/553809836.db2.gz PLFYHINALMPHER-UIKGHELNSA-N 0 0 507.392 3.510 50 30 KHEARN CCOC(=O)c1[nH]c(/C=C\C(=O)/C=C\c2[nH]c(C(=O)OCC)c(C)c2C(=O)OCC)c(C(=O)OCC)c1C ZINC000025781733 553813565 /nfs/dbraw/zinc/81/35/65/553813565.db2.gz FCKVOOBPQIHRFR-XSYHWHKQSA-N 0 0 528.558 3.962 50 30 KHEARN Cn1c2nc(N=NCc3ccc(Br)cc3)n(Cc3cccc4ccccc43)c2c(=O)[nH]c1=O ZINC000025783695 553814145 /nfs/dbraw/zinc/81/41/45/553814145.db2.gz CMLFNLBXIDNRPU-LGJNPRDNSA-N 0 0 503.360 3.833 50 30 KHEARN CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C=O)Cc1ccccc1 ZINC000026737461 553820857 /nfs/dbraw/zinc/82/08/57/553820857.db2.gz LIOIGKLWXFXXEG-GSDHBNRESA-N 0 0 509.647 3.785 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3ccccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000026779613 553820905 /nfs/dbraw/zinc/82/09/05/553820905.db2.gz HZGWUGGVRRHYCK-SILNSSARSA-N 0 0 507.616 3.547 50 30 KHEARN COc1cc(CC(=O)OCC2=C[C@H]3[C@@H]4C(C)(C)[C@]4(OC(C)=O)[C@H](OC(=O)Cc4ccccc4)[C@@H](C)[C@]3(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)C2)ccc1O ZINC000026837368 553821700 /nfs/dbraw/zinc/82/17/00/553821700.db2.gz OGRGWTXWAZBJKF-JXWJAAHMSA-N 0 0 688.770 3.802 50 30 in-vitro KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000027021271 553823976 /nfs/dbraw/zinc/82/39/76/553823976.db2.gz LYDMXYZUNLBWTA-PGMHBOJBSA-N 0 0 521.643 3.856 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccc(F)cc3)CC2)SC1=S ZINC000027021497 553823980 /nfs/dbraw/zinc/82/39/80/553823980.db2.gz WUEPKDSVFWCMLZ-QNGOZBTKSA-N 0 0 521.643 3.856 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1OCC ZINC000027546636 553833032 /nfs/dbraw/zinc/83/30/32/553833032.db2.gz FNEQXYGODFLCJX-OWXSRONMSA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4)c(=O)n32)cc1OCC ZINC000027546639 553832987 /nfs/dbraw/zinc/83/29/87/553832987.db2.gz FNEQXYGODFLCJX-ZMIGGIFCSA-N 0 0 504.608 3.762 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000027552149 553834713 /nfs/dbraw/zinc/83/47/13/553834713.db2.gz GNKSZIJBBCZJNM-AREMUKBSSA-N 0 0 524.614 3.712 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000027552153 553834663 /nfs/dbraw/zinc/83/46/63/553834663.db2.gz GNKSZIJBBCZJNM-SANMLTNESA-N 0 0 524.614 3.712 50 30 KHEARN CC(C)(C)NC(=O)CCN(/N=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1=NS(=O)(=O)c2ccccc21 ZINC000027572085 553835256 /nfs/dbraw/zinc/83/52/56/553835256.db2.gz BCGJZUUHMDJTIM-WGOQTCKBSA-N 0 0 523.571 3.945 50 30 KHEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@@H]2c2ccc(C)cc2)cc1 ZINC000027988060 553837125 /nfs/dbraw/zinc/83/71/25/553837125.db2.gz NNUNGKOPBFTWJB-HSZRJFAPSA-N 0 0 500.617 3.640 50 30 KHEARN CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCOC)[C@H]2c2ccc(C)cc2)cc1 ZINC000027988066 553837121 /nfs/dbraw/zinc/83/71/21/553837121.db2.gz NNUNGKOPBFTWJB-QHCPKHFHSA-N 0 0 500.617 3.640 50 30 KHEARN O=C1C(Nc2ccccc2)=C(n2nnc3ccccc32)C(=O)C(n2nnc3ccccc32)=C1n1nnc2ccccc21 ZINC000029748554 553849699 /nfs/dbraw/zinc/84/96/99/553849699.db2.gz UCBAKOFFMHSRAW-UHFFFAOYSA-N 0 0 550.542 3.879 50 30 KHEARN COc1ccc(C(=O)Cc2nc3ccc(C(=O)N4CCN(c5ccc([N+](=O)[O-])cc5)CC4)cc3[nH]c2=O)cc1 ZINC000029749673 553852561 /nfs/dbraw/zinc/85/25/61/553852561.db2.gz FFIYIDSUBVZANS-UQQQWYQISA-N 0 0 527.537 3.697 50 30 KHEARN Clc1ccc(OCc2ccccc2)c(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)c1 ZINC000030952358 553861178 /nfs/dbraw/zinc/86/11/78/553861178.db2.gz HOYDJCPMXOOTJZ-MTDXEUNCSA-N 0 0 509.010 3.828 50 30 KHEARN Clc1ccc(COc2ccccc2C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)cc1 ZINC000030976797 553861155 /nfs/dbraw/zinc/86/11/55/553861155.db2.gz AOHVBZQTAGHZHS-MTDXEUNCSA-N 0 0 509.010 3.828 50 30 KHEARN Cc1ccc(C)c(-n2c(=O)/c(=C\c3ccc(N(C)C)cc3)s/c2=C(/C#N)S(=O)(=O)c2ccccc2)c1 ZINC000031973723 553862366 /nfs/dbraw/zinc/86/23/66/553862366.db2.gz LIBXFQCWTWNEHU-JGPVJNICSA-N 0 0 515.660 3.516 50 30 KHEARN CCOc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)ccc1OCC(=O)Nc1ccccc1C ZINC000032109580 553863142 /nfs/dbraw/zinc/86/31/42/553863142.db2.gz JOFMSQHLBJFLIT-FDVSRXAVSA-N 0 0 508.554 3.623 50 30 KHEARN C=CCc1cc(/C=C2\C(=O)N(C)C(=S)N2CC(=O)OC)cc(OCC)c1OCc1ccccc1C#N ZINC000032121411 553865598 /nfs/dbraw/zinc/86/55/98/553865598.db2.gz AEJGXEBBRDPURQ-XKZIYDEJSA-N 0 0 505.596 3.837 50 30 KHEARN COc1ccc(/C=N\NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1COc1ccccc1C(N)=O ZINC000032575548 553869304 /nfs/dbraw/zinc/86/93/04/553869304.db2.gz MINHDEOXPXIOEV-ZRGSRPPYSA-N 0 0 508.383 3.992 50 30 KHEARN CCOc1cc(/C=N\NS(=O)(=O)c2ccc(OC)cc2OC)ccc1OC(=O)c1ccc(OC)cc1 ZINC000032577084 553869225 /nfs/dbraw/zinc/86/92/25/553869225.db2.gz NZWFXHZUOJUKNY-QQXSKIMKSA-N 0 0 514.556 3.643 50 30 KHEARN COc1ccc(CN=Nc2nc(Nc3cccc(Br)c3)nc(N3CCOCC3)n2)c(OC)c1 ZINC000032923247 553876360 /nfs/dbraw/zinc/87/63/60/553876360.db2.gz XDIDLYFOUGXECL-OYKKKHCWSA-N 0 0 514.384 3.678 50 30 KHEARN N#Cc1ccc(CN2c3cc(C(=O)OC[C@@H]4CCCO4)ccc3S(=O)(=O)c3ccccc3C2=O)cc1 ZINC000032943537 553877063 /nfs/dbraw/zinc/87/70/63/553877063.db2.gz ZYLCBMYKYONZIS-NRFANRHFSA-N 0 0 502.548 3.887 50 30 KHEARN N#Cc1ccc(CN2c3cc(C(=O)OC[C@H]4CCCO4)ccc3S(=O)(=O)c3ccccc3C2=O)cc1 ZINC000032943538 553877099 /nfs/dbraw/zinc/87/70/99/553877099.db2.gz ZYLCBMYKYONZIS-OAQYLSRUSA-N 0 0 502.548 3.887 50 30 KHEARN N#Cc1ccccc1CN1c2cc(C(=O)OC[C@@H]3CCCO3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000032943539 553877079 /nfs/dbraw/zinc/87/70/79/553877079.db2.gz RFNOBSCAPMFNPS-NRFANRHFSA-N 0 0 502.548 3.887 50 30 KHEARN N#Cc1ccccc1CN1c2cc(C(=O)OC[C@H]3CCCO3)ccc2S(=O)(=O)c2ccccc2C1=O ZINC000032943540 553877113 /nfs/dbraw/zinc/87/71/13/553877113.db2.gz RFNOBSCAPMFNPS-OAQYLSRUSA-N 0 0 502.548 3.887 50 30 KHEARN N#Cc1cccc(CN2c3cc(C(=O)OC[C@@H]4CCCO4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000032943541 553877030 /nfs/dbraw/zinc/87/70/30/553877030.db2.gz RNBBMFWOTRZNEQ-NRFANRHFSA-N 0 0 502.548 3.887 50 30 KHEARN N#Cc1cccc(CN2c3cc(C(=O)OC[C@H]4CCCO4)ccc3S(=O)(=O)c3ccccc3C2=O)c1 ZINC000032943542 553877091 /nfs/dbraw/zinc/87/70/91/553877091.db2.gz RNBBMFWOTRZNEQ-OAQYLSRUSA-N 0 0 502.548 3.887 50 30 KHEARN C#CCOc1c(I)cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC ZINC000033154994 553911412 /nfs/dbraw/zinc/91/14/12/553911412.db2.gz MAKXZPILOYHURO-YBFXNURJSA-N 0 0 516.360 3.699 50 30 KHEARN Cc1cccc(C(=O)Oc2ccc([C@H]3C4=C(Nc5c3c(=O)n(C)c(=O)n5C)c3ccccc3C4=O)cc2)c1 ZINC000033165310 553911859 /nfs/dbraw/zinc/91/18/59/553911859.db2.gz JYZCPHZHEFHATD-QFIPXVFZSA-N 0 0 505.530 3.777 50 30 KHEARN Cc1cccc(C(=O)Oc2ccc([C@@H]3C4=C(Nc5c3c(=O)n(C)c(=O)n5C)c3ccccc3C4=O)cc2)c1 ZINC000033165312 553911794 /nfs/dbraw/zinc/91/17/94/553911794.db2.gz JYZCPHZHEFHATD-JOCHJYFZSA-N 0 0 505.530 3.777 50 30 KHEARN CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)c(OC)c1 ZINC000033353477 553925405 /nfs/dbraw/zinc/92/54/05/553925405.db2.gz ULTGCQWKOSKWFU-ORVZPOCUSA-N 0 0 535.666 3.696 50 30 KHEARN CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)c(OC)c1 ZINC000033353478 553925372 /nfs/dbraw/zinc/92/53/72/553925372.db2.gz ULTGCQWKOSKWFU-IYVASWNSSA-N 0 0 535.666 3.696 50 30 KHEARN O=[N+]([O-])c1ccc(Nc2nc(N=NCc3cc(I)ccc3O)nc(N3CCCC3)n2)cc1 ZINC000033353972 553927967 /nfs/dbraw/zinc/92/79/67/553927967.db2.gz DYBHWKXZSRQRKC-WSDLNYQXSA-N 0 0 546.329 3.880 50 30 KHEARN COc1ccc([C@@H]2N(/C(CN3CCCC3)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000033354037 553928089 /nfs/dbraw/zinc/92/80/89/553928089.db2.gz HMIYJQPENJYRMN-WGGXKBPPSA-N 0 0 582.748 3.892 50 30 KHEARN COc1ccc([C@H]2N(/C(CN3CCCC3)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000033354042 553928135 /nfs/dbraw/zinc/92/81/35/553928135.db2.gz HMIYJQPENJYRMN-MIOXIQPJSA-N 0 0 582.748 3.892 50 30 KHEARN Cc1ccc(Nc2nc(N=NCc3cc(I)ccc3O)nc(N3CCOCC3)n2)cc1 ZINC000033354585 553930225 /nfs/dbraw/zinc/93/02/25/553930225.db2.gz GAKHCQJXYAOOSY-YDZHTSKRSA-N 0 0 531.358 3.516 50 30 KHEARN O=S(=O)(N=C(NCCNC(=NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1 ZINC000033354772 553931209 /nfs/dbraw/zinc/93/12/09/553931209.db2.gz QEOIRLLYOSSCJN-UHFFFAOYSA-N 0 0 546.674 3.837 50 30 KHEARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cc(Br)ccc3F)sc2=C(C#N)[C@@H]1c1cc(Br)ccc1F ZINC000033355078 553932895 /nfs/dbraw/zinc/93/28/95/553932895.db2.gz XIUJCAPJYYATRR-YSLLPBIDSA-N 0 0 623.273 3.704 50 30 KHEARN CCOC(=O)C1=C(N)n2c(=O)/c(=C/c3cc(Br)ccc3F)sc2=C(C#N)[C@H]1c1cc(Br)ccc1F ZINC000033355079 553932914 /nfs/dbraw/zinc/93/29/14/553932914.db2.gz XIUJCAPJYYATRR-JSAJWXMXSA-N 0 0 623.273 3.704 50 30 KHEARN Cc1ccc(Nc2nc(N=NCc3ccc(N4CCOCC4)cc3)nc(N3CCOCC3)n2)c(Br)c1 ZINC000033355426 553934707 /nfs/dbraw/zinc/93/47/07/553934707.db2.gz UGFWHLBMVMTIMS-PKAZHMFMSA-N 0 0 553.465 3.805 50 30 KHEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@H]2C(C)C)cc1 ZINC000033355633 553935782 /nfs/dbraw/zinc/93/57/82/553935782.db2.gz VWOUBTLIPGOIOQ-UYUFHXMSSA-N 0 0 546.759 3.865 50 30 KHEARN COCc1cc(C)nc(OC[C@@H]2OC(c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)=NN2C(C)=O)c1C#N ZINC000033355845 553937564 /nfs/dbraw/zinc/93/75/64/553937564.db2.gz LHXVIWMGUUKDRA-VWLOTQADSA-N 0 0 531.525 3.841 50 30 KHEARN COCc1cc(C)nc(OC[C@H]2OC(c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)=NN2C(C)=O)c1C#N ZINC000033355846 553937604 /nfs/dbraw/zinc/93/76/04/553937604.db2.gz LHXVIWMGUUKDRA-RUZDIDTESA-N 0 0 531.525 3.841 50 30 KHEARN O=C(NO)C1CCC(CN(Cc2cccc(Br)c2)S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000033357040 553946059 /nfs/dbraw/zinc/94/60/59/553946059.db2.gz VGCONEOMAMRLSJ-UHFFFAOYSA-N 0 0 539.448 3.723 50 30 KHEARN COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OS(C)(=O)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000033357350 553947867 /nfs/dbraw/zinc/94/78/67/553947867.db2.gz CSSBLGFIJWFQNH-YTCPBCGMSA-N 0 0 622.696 3.503 50 30 biogenic KHEARN COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2OS(C)(=O)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000033357356 553947799 /nfs/dbraw/zinc/94/77/99/553947799.db2.gz CSSBLGFIJWFQNH-AWCRTANDSA-N 0 0 622.696 3.503 50 30 biogenic KHEARN COc1cc(CN=Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000033358615 553957020 /nfs/dbraw/zinc/95/70/20/553957020.db2.gz XTLASCOOXRKUFG-WPWMEQJKSA-N 0 0 532.561 3.654 50 30 KHEARN C=CCc1cc(/C=C2\C(=O)N(C)C(=S)N2CC(=O)OC)cc(OCC)c1OCc1ccccc1C#N ZINC000033598832 553963742 /nfs/dbraw/zinc/96/37/42/553963742.db2.gz AEJGXEBBRDPURQ-LPYMAVHISA-N 0 0 505.596 3.837 50 30 KHEARN Cn1c2nc(N=NCc3ccc(OCc4ccccc4)cc3)n(Cc3ccc(F)cc3)c2c(=O)n(C)c1=O ZINC000033618431 553964303 /nfs/dbraw/zinc/96/43/03/553964303.db2.gz UHRIZVYOBAQEJL-UHBFCERESA-N 0 0 512.545 3.646 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC=C)cc3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000033633146 553965252 /nfs/dbraw/zinc/96/52/52/553965252.db2.gz MOMPRYTYPDCYRK-QXHVWWCLSA-N 0 0 502.592 3.538 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC=C)cc3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000033633147 553965246 /nfs/dbraw/zinc/96/52/46/553965246.db2.gz MOMPRYTYPDCYRK-LBKCIFGTSA-N 0 0 502.592 3.538 50 30 KHEARN O=C(CSc1nnc2sc3ccccc3n12)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000033660012 553966459 /nfs/dbraw/zinc/96/64/59/553966459.db2.gz RUANTBMNQMJQOE-UHFFFAOYSA-N 0 0 514.658 3.926 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(OC)cc1Br ZINC000033673596 553967294 /nfs/dbraw/zinc/96/72/94/553967294.db2.gz MYGMDXLQIZRDEE-ZUNHGIIWSA-N 0 0 522.392 3.642 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(OC)cc1Br ZINC000033673597 553967315 /nfs/dbraw/zinc/96/73/15/553967315.db2.gz MYGMDXLQIZRDEE-RTXGADQUSA-N 0 0 522.392 3.642 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000033678477 553967674 /nfs/dbraw/zinc/96/76/74/553967674.db2.gz WDNBHSVPAFOFDJ-BAXPTACRSA-N 0 0 522.392 3.642 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Br)c(OC)c(OC)c1 ZINC000033678478 553967630 /nfs/dbraw/zinc/96/76/30/553967630.db2.gz WDNBHSVPAFOFDJ-JPJOULJCSA-N 0 0 522.392 3.642 50 30 KHEARN COc1ccc(NC(=O)COc2ccc(/C=C\C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)cc2OC)cc1 ZINC000033742448 1066501146 /nfs/dbraw/zinc/50/11/46/1066501146.db2.gz PWFYALHADIAGMD-WCSRMQSCSA-N 0 0 524.595 3.868 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(OC)cc1OC ZINC000033797491 553974313 /nfs/dbraw/zinc/97/43/13/553974313.db2.gz VNCYSQOIBUCSSL-LMIFWLCCSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(OC)cc1OC ZINC000033797492 553974372 /nfs/dbraw/zinc/97/43/72/553974372.db2.gz VNCYSQOIBUCSSL-NZCIYTFRSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000033834432 553974647 /nfs/dbraw/zinc/97/46/47/553974647.db2.gz PVEXLLVMEXDXRJ-JEWAVWJGSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000033834433 553974715 /nfs/dbraw/zinc/97/47/15/553974715.db2.gz PVEXLLVMEXDXRJ-ZFGLAFRWSA-N 0 0 533.643 3.622 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(OC)ccc1OC ZINC000033834456 553974914 /nfs/dbraw/zinc/97/49/14/553974914.db2.gz XQSQEUYGDKJYJS-JEWAVWJGSA-N 0 0 503.617 3.613 50 30 KHEARN CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(OC)ccc1OC ZINC000033834457 553974989 /nfs/dbraw/zinc/97/49/89/553974989.db2.gz XQSQEUYGDKJYJS-ZFGLAFRWSA-N 0 0 503.617 3.613 50 30 KHEARN C=CCNC(=O)N1CCCN(c2nc3cc(Cl)ccc3c3nnc(-c4ccccc4[N+](=O)[O-])n32)CC1 ZINC000034707536 553993702 /nfs/dbraw/zinc/99/37/02/553993702.db2.gz YNMGSIZRZFNCPI-UHFFFAOYSA-N 0 0 506.954 3.914 50 30 KHEARN N#Cc1ccccc1S(=O)(=O)N1CCCN(c2nc3ccccc3c3nnc(Cc4ccccc4)n32)CC1 ZINC000034707797 553993891 /nfs/dbraw/zinc/99/38/91/553993891.db2.gz LXYVDZLVNRTQBC-UHFFFAOYSA-N 0 0 523.622 3.641 50 30 KHEARN C[C@@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1S(=O)(=O)c1ccccc1C#N ZINC000034707830 553993988 /nfs/dbraw/zinc/99/39/88/553993988.db2.gz HUNISPHMQBNIHP-QGZVFWFLSA-N 0 0 515.624 3.777 50 30 KHEARN C[C@H]1CN(c2nc3ccccc3c3nnc(-c4cccs4)n32)CCN1S(=O)(=O)c1ccccc1C#N ZINC000034707831 553993968 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3.581 50 30 KHEARN C=CCN1C2=C(C(=O)N(CC(=O)NCCc3ccccn3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035969620 554113396 /nfs/dbraw/zinc/11/33/96/554113396.db2.gz KLNIURDIRYHOJZ-MUUNZHRXSA-N 0 0 523.593 3.581 50 30 KHEARN C=CCN1C2=C(C(=O)N(CC(=O)NCc3cccnc3)C2)[C@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035969661 554113590 /nfs/dbraw/zinc/11/35/90/554113590.db2.gz RXXBDAQKPSCTBA-MHZLTWQESA-N 0 0 509.566 3.539 50 30 KHEARN C=CCN1C2=C(C(=O)N(CC(=O)NCc3cccnc3)C2)[C@@H](c2cccc(Oc3ccccc3)c2)NC1=O ZINC000035969664 554113630 /nfs/dbraw/zinc/11/36/30/554113630.db2.gz RXXBDAQKPSCTBA-HHHXNRCGSA-N 0 0 509.566 3.539 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035971399 554114172 /nfs/dbraw/zinc/11/41/72/554114172.db2.gz PDHYJRIKWDPPTK-FDJWOJMMSA-N 0 0 514.626 3.689 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NC[C@@H]3CCCO3)c3ccccc3)C2)[C@@H](c2ccc(C)cc2C)NC1=O ZINC000035971406 554114162 /nfs/dbraw/zinc/11/41/62/554114162.db2.gz PDHYJRIKWDPPTK-ZDJNHPEVSA-N 0 0 514.626 3.689 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NCc3ccco3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971559 554114057 /nfs/dbraw/zinc/11/40/57/554114057.db2.gz ZNVHEUJEVFKYTA-VXKWHMMOSA-N 0 0 516.520 3.988 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccco3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971562 554114148 /nfs/dbraw/zinc/11/41/48/554114148.db2.gz ZNVHEUJEVFKYTA-FCHUYYIVSA-N 0 0 516.520 3.988 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NCc3ccco3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971565 554114041 /nfs/dbraw/zinc/11/40/41/554114041.db2.gz ZNVHEUJEVFKYTA-YADHBBJMSA-N 0 0 516.520 3.988 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3ccco3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971568 554114129 /nfs/dbraw/zinc/11/41/29/554114129.db2.gz ZNVHEUJEVFKYTA-FGZHOGPDSA-N 0 0 516.520 3.988 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NCc3cccnc3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971592 554114175 /nfs/dbraw/zinc/11/41/75/554114175.db2.gz QEDAGFOVGOKUEE-GOTSBHOMSA-N 0 0 527.547 3.790 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3cccnc3)C(C)C)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971595 554114088 /nfs/dbraw/zinc/11/40/88/554114088.db2.gz QEDAGFOVGOKUEE-XZOQPEGZSA-N 0 0 527.547 3.790 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NCc3cccnc3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971598 554114097 /nfs/dbraw/zinc/11/40/97/554114097.db2.gz QEDAGFOVGOKUEE-PKTZIBPZSA-N 0 0 527.547 3.790 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NCc3cccnc3)C(C)C)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000035971601 554114167 /nfs/dbraw/zinc/11/41/67/554114167.db2.gz QEDAGFOVGOKUEE-DHIUTWEWSA-N 0 0 527.547 3.790 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)C(C)C)CC1 ZINC000035991804 554124191 /nfs/dbraw/zinc/12/41/91/554124191.db2.gz FBDAZGFYMYRHQH-JOCHJYFZSA-N 0 0 523.461 3.863 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)C(C)C)CC1 ZINC000035991805 554124012 /nfs/dbraw/zinc/12/40/12/554124012.db2.gz FBDAZGFYMYRHQH-QFIPXVFZSA-N 0 0 523.461 3.863 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)CC)CC1 ZINC000035991806 554124019 /nfs/dbraw/zinc/12/40/19/554124019.db2.gz RBAJESXZTRQTOE-QFIPXVFZSA-N 0 0 509.434 3.617 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)CC)CC1 ZINC000035991807 554124010 /nfs/dbraw/zinc/12/40/10/554124010.db2.gz RBAJESXZTRQTOE-JOCHJYFZSA-N 0 0 509.434 3.617 50 30 KHEARN COc1ccc2c(CCNC(=NC(=O)CN3CCN(c4ccc(F)cc4)CC3)Nc3nc(C)cc(C)n3)c[nH]c2c1 ZINC000035999826 554127399 /nfs/dbraw/zinc/12/73/99/554127399.db2.gz HMSDANBBMAGKNP-UHFFFAOYSA-N 0 0 558.662 3.671 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036003272 554129276 /nfs/dbraw/zinc/12/92/76/554129276.db2.gz JMDSPPMMZWGCHA-AREMUKBSSA-N 0 0 520.605 3.662 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000036003273 554129332 /nfs/dbraw/zinc/12/93/32/554129332.db2.gz JMDSPPMMZWGCHA-SANMLTNESA-N 0 0 520.605 3.662 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036003324 554129674 /nfs/dbraw/zinc/12/96/74/554129674.db2.gz KFNANOLSCVSTIQ-JOCHJYFZSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)CC1 ZINC000036003325 554129665 /nfs/dbraw/zinc/12/96/65/554129665.db2.gz KFNANOLSCVSTIQ-QFIPXVFZSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1cccs1 ZINC000036013103 554133249 /nfs/dbraw/zinc/13/32/49/554133249.db2.gz AZAMJMYPBYFPBJ-UHFFFAOYSA-N 0 0 518.639 3.986 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccccc1 ZINC000036013107 554133231 /nfs/dbraw/zinc/13/32/31/554133231.db2.gz BPNBIQLOKOSZGR-UHFFFAOYSA-N 0 0 512.610 3.925 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)C1CCCC1 ZINC000036013113 554133448 /nfs/dbraw/zinc/13/34/48/554133448.db2.gz WRNKIDOPRBGVDZ-UHFFFAOYSA-N 0 0 504.631 3.801 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000036019094 554137165 /nfs/dbraw/zinc/13/71/65/554137165.db2.gz GSWHCZLAKNYMMN-HSZRJFAPSA-N 0 0 532.085 3.925 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)(C)C)CC1 ZINC000036019095 554137454 /nfs/dbraw/zinc/13/74/54/554137454.db2.gz GSWHCZLAKNYMMN-QHCPKHFHSA-N 0 0 532.085 3.925 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)C)CC1 ZINC000036019096 554137434 /nfs/dbraw/zinc/13/74/34/554137434.db2.gz RMFIQBQWUXYCBI-HSZRJFAPSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)C)CC1 ZINC000036019097 554137397 /nfs/dbraw/zinc/13/73/97/554137397.db2.gz RMFIQBQWUXYCBI-QHCPKHFHSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)[C@@H](C)C1 ZINC000036019791 554139429 /nfs/dbraw/zinc/13/94/29/554139429.db2.gz LYWHLCPYGJZTHH-MBSDFSHPSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NCCC)CC1 ZINC000036019795 554139419 /nfs/dbraw/zinc/13/94/19/554139419.db2.gz HDFDBSMNYJYAPB-QHCPKHFHSA-N 0 0 518.058 3.537 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NCCC)CC1 ZINC000036019796 554139301 /nfs/dbraw/zinc/13/93/01/554139301.db2.gz HDFDBSMNYJYAPB-HSZRJFAPSA-N 0 0 518.058 3.537 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)[C@@H](C)C1 ZINC000036024704 554140199 /nfs/dbraw/zinc/14/01/99/554140199.db2.gz GDYMDLXSNVTWFJ-MBSDFSHPSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)C)CC1 ZINC000036024706 554140092 /nfs/dbraw/zinc/14/00/92/554140092.db2.gz APCMAFXKFGXPFB-HSZRJFAPSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)C)CC1 ZINC000036024708 554140224 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GROXXNRNTWBNHL-UHFFFAOYSA-N 0 0 514.673 3.897 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000036071568 554169313 /nfs/dbraw/zinc/16/93/13/554169313.db2.gz GWPIIZNNVZMBFP-UHFFFAOYSA-N 0 0 503.578 3.658 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036071571 554169302 /nfs/dbraw/zinc/16/93/02/554169302.db2.gz CVQFHGNLHINOOA-UHFFFAOYSA-N 0 0 515.614 3.528 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1F ZINC000036071577 554169310 /nfs/dbraw/zinc/16/93/10/554169310.db2.gz OQFJEUPXFARKTF-UHFFFAOYSA-N 0 0 503.578 3.658 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036071578 554169351 /nfs/dbraw/zinc/16/93/51/554169351.db2.gz FWDRJCJAEFHMTQ-UHFFFAOYSA-N 0 0 503.578 3.658 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036071580 554169271 /nfs/dbraw/zinc/16/92/71/554169271.db2.gz YYIBPKOXEFGWJI-UHFFFAOYSA-N 0 0 515.614 3.528 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccs1 ZINC000036072938 554170853 /nfs/dbraw/zinc/17/08/53/554170853.db2.gz YFJWZNMWRSFKSD-UHFFFAOYSA-N 0 0 521.643 3.589 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccccc1 ZINC000036072970 554171127 /nfs/dbraw/zinc/17/11/27/554171127.db2.gz KVPIFBNVAGTUCC-UHFFFAOYSA-N 0 0 515.614 3.528 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1ccccc1F ZINC000036073836 554171949 /nfs/dbraw/zinc/17/19/49/554171949.db2.gz WHGBFUBMLROXBU-UHFFFAOYSA-N 0 0 503.578 3.658 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000036073838 554171965 /nfs/dbraw/zinc/17/19/65/554171965.db2.gz AURGYMWFIMDQHU-UHFFFAOYSA-N 0 0 503.578 3.658 50 30 KHEARN C=CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)c1ccccc1Cl ZINC000036074107 554172983 /nfs/dbraw/zinc/17/29/83/554172983.db2.gz JOHOXIGQPBHSPC-UHFFFAOYSA-N 0 0 506.006 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)C(=O)Nc1ccc(C)cc1 ZINC000036074196 554173330 /nfs/dbraw/zinc/17/33/30/554173330.db2.gz VHWJIEUGGNKRBQ-UHFFFAOYSA-N 0 0 500.603 3.829 50 30 KHEARN C=CCN(CC(=O)N1CCN(c2ccc(-c3ccccc3Cl)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000036074368 554173814 /nfs/dbraw/zinc/17/38/14/554173814.db2.gz HVFLFOIZHJYMIA-UHFFFAOYSA-N 0 0 506.006 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000036083278 554175149 /nfs/dbraw/zinc/17/51/49/554175149.db2.gz HSJGUIIXIUSOOZ-UHFFFAOYSA-N 0 0 503.578 3.658 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(F)cc3)nn2)CC1)S(=O)(=O)c1ccc(C)cc1 ZINC000036083348 554175417 /nfs/dbraw/zinc/17/54/17/554175417.db2.gz QUUYXYKOFDLUOW-UHFFFAOYSA-N 0 0 523.634 3.507 50 30 KHEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@@H]3[C@H](C)Cc3ccc4c(c3)OCO4)C2)cc1OC ZINC000036083526 554175712 /nfs/dbraw/zinc/17/57/12/554175712.db2.gz YWFZGWVMNHGDQW-VOAUIHGOSA-N 0 0 503.559 3.852 50 30 KHEARN COc1ccc([C@@H]2CC(=O)C3C(=Nc4nc(N)nn4[C@H]3[C@H](C)Cc3ccc4c(c3)OCO4)C2)cc1OC ZINC000036083528 554175631 /nfs/dbraw/zinc/17/56/31/554175631.db2.gz YWFZGWVMNHGDQW-OOGSEDQNSA-N 0 0 503.559 3.852 50 30 KHEARN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000036302255 554212354 /nfs/dbraw/zinc/21/23/54/554212354.db2.gz OTEINCCUAPCDKT-DQEYMECFSA-N 0 0 505.615 3.973 50 30 KHEARN C#CCOC[C@@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@H]1CCCO1 ZINC000036302258 554212466 /nfs/dbraw/zinc/21/24/66/554212466.db2.gz OTEINCCUAPCDKT-LOSJGSFVSA-N 0 0 505.615 3.973 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000036308955 554216562 /nfs/dbraw/zinc/21/65/62/554216562.db2.gz TYXHXHPTLGMEFI-BWKNWUBXSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000036308956 554216884 /nfs/dbraw/zinc/21/68/84/554216884.db2.gz TYXHXHPTLGMEFI-OFVILXPXSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@@H](O)COC(C)(C)C ZINC000036308967 554216546 /nfs/dbraw/zinc/21/65/46/554216546.db2.gz YYFLYDGDRMDEEM-YKSBVNFPSA-N 0 0 502.677 3.926 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000036308968 554216755 /nfs/dbraw/zinc/21/67/55/554216755.db2.gz YYFLYDGDRMDEEM-RDPSFJRHSA-N 0 0 502.677 3.926 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036309355 554217262 /nfs/dbraw/zinc/21/72/62/554217262.db2.gz IHPJWPBWBVMLTD-GGAORHGYSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000036309356 554217205 /nfs/dbraw/zinc/21/72/05/554217205.db2.gz IHPJWPBWBVMLTD-GMAHTHKFSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@@H](O)COC(C)(C)C ZINC000036309363 554217296 /nfs/dbraw/zinc/21/72/96/554217296.db2.gz HRXXQQXRUDIKNK-IRLDBZIGSA-N 0 0 502.677 3.926 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036309364 554217220 /nfs/dbraw/zinc/21/72/20/554217220.db2.gz HRXXQQXRUDIKNK-UNMCSNQZSA-N 0 0 502.677 3.926 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@@H](O)COCC(C)C ZINC000036310077 554218109 /nfs/dbraw/zinc/21/81/09/554218109.db2.gz QBKSDTOZHQELCA-BWKNWUBXSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000036310079 554218042 /nfs/dbraw/zinc/21/80/42/554218042.db2.gz QBKSDTOZHQELCA-OFVILXPXSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@@H](O)COC(C)(C)C ZINC000036310090 554218186 /nfs/dbraw/zinc/21/81/86/554218186.db2.gz QXGIKCRBOSWMFU-YKSBVNFPSA-N 0 0 502.677 3.926 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000036310092 554218202 /nfs/dbraw/zinc/21/82/02/554218202.db2.gz QXGIKCRBOSWMFU-RDPSFJRHSA-N 0 0 502.677 3.926 50 30 KHEARN COCCNC(=O)[C@]1(OCc2ccc(F)cc2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2C#N)C1 ZINC000037420358 554242662 /nfs/dbraw/zinc/24/26/62/554242662.db2.gz XNYUHEQERBTSEQ-HLPJKERBSA-N 0 0 512.578 3.615 50 30 KHEARN COCCNC(=O)[C@]1(OCc2ccc(F)cc2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2C#N)C1 ZINC000037420362 554242615 /nfs/dbraw/zinc/24/26/15/554242615.db2.gz XNYUHEQERBTSEQ-YKKMPQLRSA-N 0 0 512.578 3.615 50 30 KHEARN COCCNC(=O)[C@]1(OCc2ccccc2C)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2C#N)C1 ZINC000037420734 554242884 /nfs/dbraw/zinc/24/28/84/554242884.db2.gz GDCDTBTVTVFOFA-NANFOGFDSA-N 0 0 508.615 3.784 50 30 KHEARN COCCNC(=O)[C@]1(OCc2ccccc2C)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2C#N)C1 ZINC000037420737 554242926 /nfs/dbraw/zinc/24/29/26/554242926.db2.gz GDCDTBTVTVFOFA-XWDJFTLGSA-N 0 0 508.615 3.784 50 30 KHEARN COCCNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@@H](OCc2ccccc2C#N)C1 ZINC000037424202 554244265 /nfs/dbraw/zinc/24/42/65/554244265.db2.gz XJOZFNAEBXVSOJ-HLPJKERBSA-N 0 0 512.578 3.615 50 30 KHEARN COCCNC(=O)[C@]1(OCc2cccc(F)c2)C[C@H]2OC(C)(C)O[C@H]2[C@H](OCc2ccccc2C#N)C1 ZINC000037424204 554244201 /nfs/dbraw/zinc/24/42/01/554244201.db2.gz XJOZFNAEBXVSOJ-YKKMPQLRSA-N 0 0 512.578 3.615 50 30 KHEARN Cc1ccc(-c2nnc3c4ccccc4nc(N4CCN(S(=O)(=O)c5ccccc5C#N)CC4)n23)cc1 ZINC000037555019 554251336 /nfs/dbraw/zinc/25/13/36/554251336.db2.gz IQAOAEPFMAFZCE-UHFFFAOYSA-N 0 0 509.595 3.636 50 30 KHEARN COc1ccc(Oc2nc(N3CCCCC3)nc3c2CN(S(=O)(=O)c2ccccc2C#N)CC3)cc1 ZINC000037580271 554252915 /nfs/dbraw/zinc/25/29/15/554252915.db2.gz GKYPPQQSZPGJJE-UHFFFAOYSA-N 0 0 505.600 3.886 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140340 554263284 /nfs/dbraw/zinc/26/32/84/554263284.db2.gz JODKTVVABYJRKC-WTYVLRPYSA-N 0 0 548.636 3.884 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140341 554263371 /nfs/dbraw/zinc/26/33/71/554263371.db2.gz JODKTVVABYJRKC-MMTVBGGISA-N 0 0 548.636 3.884 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140342 554263315 /nfs/dbraw/zinc/26/33/15/554263315.db2.gz JODKTVVABYJRKC-PIIWDFAUSA-N 0 0 548.636 3.884 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000038140343 554263411 /nfs/dbraw/zinc/26/34/11/554263411.db2.gz JODKTVVABYJRKC-NGOKVRLYSA-N 0 0 548.636 3.884 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000038140395 554263272 /nfs/dbraw/zinc/26/32/72/554263272.db2.gz KLWQZLKTEVEMAE-HSZRJFAPSA-N 0 0 543.414 3.521 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000038140396 554263378 /nfs/dbraw/zinc/26/33/78/554263378.db2.gz KLWQZLKTEVEMAE-QHCPKHFHSA-N 0 0 543.414 3.521 50 30 KHEARN COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1 ZINC000038140420 554263301 /nfs/dbraw/zinc/26/33/01/554263301.db2.gz PKFOIBZTPZXERR-UHFFFAOYSA-N 0 0 527.606 3.566 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCCOC)cc1OC ZINC000038150077 554271480 /nfs/dbraw/zinc/27/14/80/554271480.db2.gz ZKHRGQBFSOKCNK-AREMUKBSSA-N 0 0 572.680 3.883 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCCOC)cc1OC ZINC000038150078 554271486 /nfs/dbraw/zinc/27/14/86/554271486.db2.gz ZKHRGQBFSOKCNK-SANMLTNESA-N 0 0 572.680 3.883 50 30 KHEARN O=S(=O)(N/C(=N/c1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)c1ccc(F)cc1)c1ccccc1 ZINC000038151021 554271403 /nfs/dbraw/zinc/27/14/03/554271403.db2.gz JICSCHGTUPEQFP-UHFFFAOYSA-N 0 0 538.022 3.557 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(Cc4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000038152516 554272766 /nfs/dbraw/zinc/27/27/66/554272766.db2.gz BHWRNORZODNMMI-ZXPTYKNPSA-N 0 0 544.633 3.716 50 30 KHEARN C=CCn1c(CNC(=O)c2ccccc2Cl)nnc1SCC(=O)Nc1cccc(C(=O)OCC)c1 ZINC000038536865 554275184 /nfs/dbraw/zinc/27/51/84/554275184.db2.gz XKDVMUSREPJJIK-UHFFFAOYSA-N 0 0 514.007 3.955 50 30 KHEARN CCCSc1ncc(Cl)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)ONC(=N)c2cccs2)n1 ZINC000046086106 554320099 /nfs/dbraw/zinc/32/00/99/554320099.db2.gz KFQCRVWRNMTXQE-INIZCTEOSA-N 0 0 504.037 3.898 50 30 KHEARN CCCSc1ncc(Cl)c(C(=O)N[C@H](Cc2ccccc2)C(=O)ONC(=N)c2cccs2)n1 ZINC000046086108 554320136 /nfs/dbraw/zinc/32/01/36/554320136.db2.gz KFQCRVWRNMTXQE-MRXNPFEDSA-N 0 0 504.037 3.898 50 30 KHEARN COc1cc(-c2c(C#N)c(N)nc(S[C@H]3CC(=O)N(c4ccc(F)cc4)C3=O)c2C#N)cc(OC)c1OC ZINC000053287824 554330972 /nfs/dbraw/zinc/33/09/72/554330972.db2.gz KGGSTVNFSLKICH-FQEVSTJZSA-N 0 0 533.541 3.663 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000053290687 554331558 /nfs/dbraw/zinc/33/15/58/554331558.db2.gz MKUSULOCYFORIB-XMMPIXPASA-N 0 0 551.441 3.854 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000053290690 554331600 /nfs/dbraw/zinc/33/16/00/554331600.db2.gz MKUSULOCYFORIB-DEOSSOPVSA-N 0 0 551.441 3.854 50 30 KHEARN C[C@H](Oc1ccc(S(C)(=O)=O)cc1C(=O)N1CCN(c2ncc(C(F)(F)F)cc2F)CC1)C(F)(F)F ZINC000053294258 554332325 /nfs/dbraw/zinc/33/23/25/554332325.db2.gz YUUGYIUSCYNSQR-LBPRGKRZSA-N 0 0 543.461 3.935 50 30 investigational KHEARN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000053307711 554335576 /nfs/dbraw/zinc/33/55/76/554335576.db2.gz NQRYEEMPMZPJQD-HSZRJFAPSA-N 0 0 539.430 3.706 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000053307714 554335384 /nfs/dbraw/zinc/33/53/84/554335384.db2.gz NQRYEEMPMZPJQD-QHCPKHFHSA-N 0 0 539.430 3.706 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000053319328 554337321 /nfs/dbraw/zinc/33/73/21/554337321.db2.gz GMJBJVITMABMKA-JOCHJYFZSA-N 0 0 539.430 3.624 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000053319329 554337255 /nfs/dbraw/zinc/33/72/55/554337255.db2.gz GMJBJVITMABMKA-QFIPXVFZSA-N 0 0 539.430 3.624 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc(Br)c1O ZINC000053319412 554337823 /nfs/dbraw/zinc/33/78/23/554337823.db2.gz AVHTVLQWLRJOBY-QFIPXVFZSA-N 0 0 570.396 3.800 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc(Br)c1O ZINC000053319413 554337806 /nfs/dbraw/zinc/33/78/06/554337806.db2.gz AVHTVLQWLRJOBY-JOCHJYFZSA-N 0 0 570.396 3.800 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000053340663 554344195 /nfs/dbraw/zinc/34/41/95/554344195.db2.gz TWJRZJKAYWMRGO-JOCHJYFZSA-N 0 0 539.430 3.624 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000053340667 554344119 /nfs/dbraw/zinc/34/41/19/554344119.db2.gz TWJRZJKAYWMRGO-QFIPXVFZSA-N 0 0 539.430 3.624 50 30 KHEARN N#C[C@@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000055412852 554350700 /nfs/dbraw/zinc/35/07/00/554350700.db2.gz IICJJSOVCFGRNA-JOCHJYFZSA-N 0 0 512.614 3.737 50 30 KHEARN N#C[C@H](C(=O)NC1CCCCC1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000055412854 554350591 /nfs/dbraw/zinc/35/05/91/554350591.db2.gz IICJJSOVCFGRNA-QFIPXVFZSA-N 0 0 512.614 3.737 50 30 KHEARN CCCCCCNC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000057054022 554351948 /nfs/dbraw/zinc/35/19/48/554351948.db2.gz VOVAPRHGZUJWEP-QFIPXVFZSA-N 0 0 514.630 3.984 50 30 KHEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1-c1ccccc1 ZINC000058987205 554371631 /nfs/dbraw/zinc/37/16/31/554371631.db2.gz WFPXCQAXACNNHF-OFEFYLOTSA-N 0 0 543.601 3.725 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@@H]2OC(c3ccccc3)O[C@H]2COS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000059222171 554385864 /nfs/dbraw/zinc/38/58/64/554385864.db2.gz AYEPZHONXQNGPO-ZEQRLZLVSA-N 0 0 518.609 3.897 50 30 KHEARN C=CCn1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000059525600 554406497 /nfs/dbraw/zinc/40/64/97/554406497.db2.gz GTQBSPVYCUIPNT-UHFFFAOYSA-N 0 0 541.073 3.588 50 30 KHEARN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@@H](CO)NC(=O)c1ccccc1Cl ZINC000059612655 554412748 /nfs/dbraw/zinc/41/27/48/554412748.db2.gz AVGINIRZTMTNGV-OAQYLSRUSA-N 0 0 558.060 3.877 50 30 KHEARN C=CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1[C@H](CO)NC(=O)c1ccccc1Cl ZINC000059612660 554412727 /nfs/dbraw/zinc/41/27/27/554412727.db2.gz AVGINIRZTMTNGV-NRFANRHFSA-N 0 0 558.060 3.877 50 30 KHEARN C=CCC(O)(CC=C)[C@H](CCSC)NC(=S)NC(=O)c1ccc(OC)c(I)c1 ZINC000059620390 554413700 /nfs/dbraw/zinc/41/37/00/554413700.db2.gz WOYNXICHQPIECF-KRWDZBQOSA-N 0 0 534.485 3.909 50 30 KHEARN C=CCC(O)(CC=C)[C@@H](CCSC)NC(=S)NC(=O)c1ccc(OC)c(I)c1 ZINC000059620392 554413649 /nfs/dbraw/zinc/41/36/49/554413649.db2.gz WOYNXICHQPIECF-QGZVFWFLSA-N 0 0 534.485 3.909 50 30 KHEARN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(Br)c1 ZINC000059627264 554415867 /nfs/dbraw/zinc/41/58/67/554415867.db2.gz AIYNNDHZDDELPZ-UHFFFAOYSA-N 0 0 546.447 3.905 50 30 KHEARN C=CCOc1c(I)cc(I)cc1/C=C1\SC(=N)NC1=O ZINC000059640802 554416586 /nfs/dbraw/zinc/41/65/86/554416586.db2.gz VZNHMHDJTKJKNK-YHYXMXQVSA-N 0 0 512.110 3.599 50 30 KHEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000059706181 554425650 /nfs/dbraw/zinc/42/56/50/554425650.db2.gz UYNXXXRGUKEKBB-DKOMQPSQSA-N 0 0 613.486 3.863 50 30 KHEARN C=CCOc1c(Br)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000059706182 554425662 /nfs/dbraw/zinc/42/56/62/554425662.db2.gz UYNXXXRGUKEKBB-IZBTWGKQSA-N 0 0 613.486 3.863 50 30 KHEARN C=CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1sc2c(c1C#N)CCCC2 ZINC000059758362 554428128 /nfs/dbraw/zinc/42/81/28/554428128.db2.gz UHYUFZOLZATWAD-UHFFFAOYSA-N 0 0 552.682 3.954 50 30 KHEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000059821624 554431439 /nfs/dbraw/zinc/43/14/39/554431439.db2.gz PDESTUDWFLPLCN-BFFNPARHSA-N 0 0 562.538 3.776 50 30 KHEARN Cn1c(=O)c2c(n(C)c1=O)NC1=C(C(=O)c3ccccc31)[C@@H]2c1ccc(OC(=O)C=Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000059821628 554431481 /nfs/dbraw/zinc/43/14/81/554431481.db2.gz PDESTUDWFLPLCN-OMHSXHNCSA-N 0 0 562.538 3.776 50 30 KHEARN N#C[C@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000061859378 554505830 /nfs/dbraw/zinc/50/58/30/554505830.db2.gz OIKIQVPBIVSVPI-QHCPKHFHSA-N 0 0 520.593 3.604 50 30 KHEARN N#C[C@@H](C(=O)NCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000061859380 554505917 /nfs/dbraw/zinc/50/59/17/554505917.db2.gz OIKIQVPBIVSVPI-HSZRJFAPSA-N 0 0 520.593 3.604 50 30 KHEARN Cc1ccc(S(=O)(=O)NC2=C(N3CCN(c4ccccc4F)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000061868495 554505732 /nfs/dbraw/zinc/50/57/32/554505732.db2.gz PHIQZLDUGKZMDE-UHFFFAOYSA-N 0 0 505.571 3.525 50 30 KHEARN C[C@H]1C[C@H](C)CN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000061868510 554506006 /nfs/dbraw/zinc/50/60/06/554506006.db2.gz IWXPROKHEBARAN-GJZGRUSLSA-N 0 0 503.418 3.996 50 30 KHEARN C[C@@H]1C[C@@H](C)CN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000061868511 554505970 /nfs/dbraw/zinc/50/59/70/554505970.db2.gz IWXPROKHEBARAN-HUUCEWRRSA-N 0 0 503.418 3.996 50 30 KHEARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1ccc(C#N)cc1)C2 ZINC000064566835 554512617 /nfs/dbraw/zinc/51/26/17/554512617.db2.gz JHTGJROHSNZOOR-UHFFFAOYSA-N 0 0 511.607 3.886 50 30 KHEARN Cn1nc(CN(C(=O)c2ccccc2)c2ccccc2)c2c1CCN(S(=O)(=O)c1cccc(C#N)c1)C2 ZINC000064566869 554512884 /nfs/dbraw/zinc/51/28/84/554512884.db2.gz YKDXEIBWYWDMPI-UHFFFAOYSA-N 0 0 511.607 3.886 50 30 KHEARN CCOc1cc(C(=O)OCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)cc(OCC)c1OCC ZINC000066136512 554529029 /nfs/dbraw/zinc/52/90/29/554529029.db2.gz PXPVCCOREPIHGV-UHFFFAOYSA-N 0 0 561.657 3.929 50 30 KHEARN CC1(C)CC(=O)C(=CC[NH2+]CC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])C(=O)C1 ZINC000066327965 554529866 /nfs/dbraw/zinc/52/98/66/554529866.db2.gz NFCIJFBWDXNMRV-DEOSSOPVSA-N 0 0 504.583 3.843 50 30 KHEARN Fc1ccc(Nc2nc(N=NCc3cccc(I)c3)nc(N3CCOCC3)n2)cc1 ZINC000068572924 554540082 /nfs/dbraw/zinc/54/00/82/554540082.db2.gz BOCSOYFMCHWNSY-YDZHTSKRSA-N 0 0 519.322 3.642 50 30 KHEARN COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OS(C)(=O)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000068704932 553593247 /nfs/dbraw/zinc/59/32/47/553593247.db2.gz CSSBLGFIJWFQNH-ULNSLHSMSA-N 0 0 622.696 3.503 50 30 biogenic KHEARN COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2OS(C)(=O)=O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000068704933 553593270 /nfs/dbraw/zinc/59/32/70/553593270.db2.gz CSSBLGFIJWFQNH-SSBOKUKZSA-N 0 0 622.696 3.503 50 30 biogenic KHEARN CCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1NC(C)=O ZINC000070669828 553598995 /nfs/dbraw/zinc/59/89/95/553598995.db2.gz PIEYYMFAQMSYFF-ZFXZZAOISA-N 0 0 515.644 3.580 50 30 biogenic KHEARN COc1cccc(C/N=C/[C@]23CC[C@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)c1OC ZINC000070670154 553600685 /nfs/dbraw/zinc/60/06/85/553600685.db2.gz CXVOPJQBVVUOTC-PJNMWOLVSA-N 0 0 553.696 3.988 50 30 biogenic KHEARN C/C(=C1/C(=O)C[C@@H]2[C@H]1C2(C)C)N1CCOCCOCCN(/C(C)=C2\C(=O)C[C@@H]3[C@H]2C3(C)C)CCOCC1 ZINC000070670182 553600694 /nfs/dbraw/zinc/60/06/94/553600694.db2.gz DJFXXLPKTNJYMC-RCIGJKPLSA-N 0 0 514.707 3.692 50 30 biogenic KHEARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](Cc5ccc(O)c(O)c5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070672069 553601432 /nfs/dbraw/zinc/60/14/32/553601432.db2.gz BNCPOOPUSRHSRB-KIIFSIRFSA-N 0 0 578.706 3.998 50 30 biogenic KHEARN C#C[C@@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@H](Cc5ccc(O)c(O)c5)C(=O)OC)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070672073 553601424 /nfs/dbraw/zinc/60/14/24/553601424.db2.gz BNCPOOPUSRHSRB-YPAKRUIGSA-N 0 0 578.706 3.998 50 30 biogenic KHEARN CC[C@]1(C)O[C@@H]2C[C@H](O[C@H]3CC[C@]4(C=O)[C@H]5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@]4(O)C3)O[C@H](C)[C@@H]2O1 ZINC000070680290 553603985 /nfs/dbraw/zinc/60/39/85/553603985.db2.gz AREVVFYJJNACSQ-QNCNJQLRSA-N 0 0 588.738 3.968 50 30 biogenic KHEARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)[C@H](C)C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](OC(C)=O)C[C@@]21C ZINC000070692069 553609282 /nfs/dbraw/zinc/60/92/82/553609282.db2.gz VLPVMWBPYOMWEP-FVYJRJPESA-N 0 0 518.578 3.608 50 30 biogenic KHEARN COC(=O)[C@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692084 553609290 /nfs/dbraw/zinc/60/92/90/553609290.db2.gz PUFHOZFBIZFLDO-YMLFHJQBSA-N 0 0 599.721 3.877 50 30 biogenic KHEARN COC(=O)[C@@H]1CCCN1C(=O)CCC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C ZINC000070692085 553609347 /nfs/dbraw/zinc/60/93/47/553609347.db2.gz PUFHOZFBIZFLDO-DMJCCYTMSA-N 0 0 599.721 3.877 50 30 biogenic KHEARN COc1cc(C/N=C/[C@]23CC[C@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc(OC)c1OC ZINC000070692155 553609871 /nfs/dbraw/zinc/60/98/71/553609871.db2.gz XSVLJDXXHYPGBB-XHDUVMLNSA-N 0 0 583.722 3.996 50 30 biogenic KHEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1ccccn1 ZINC000070692162 553609790 /nfs/dbraw/zinc/60/97/90/553609790.db2.gz FIAPYSZTDXLPJR-ZNRCXUDMSA-N 0 0 536.669 3.853 50 30 biogenic KHEARN COc1ccc(C/N=C/[C@]23CC[C@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc1OC ZINC000070692183 553610174 /nfs/dbraw/zinc/61/01/74/553610174.db2.gz XSSDYVBLIAUMQJ-PJNMWOLVSA-N 0 0 553.696 3.988 50 30 biogenic KHEARN C[C@]12CC(=O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccs1 ZINC000070692201 553610171 /nfs/dbraw/zinc/61/01/71/553610171.db2.gz IEGANGRNVGDASB-BEPFFVSASA-N 0 0 555.693 3.699 50 30 biogenic KHEARN CCCCCCCCC(=O)N1CCN(CCNc2cc3n(c(=O)n2)CCc2cc(OC)c(OC)cc2-3)CC1 ZINC000070692256 553610700 /nfs/dbraw/zinc/61/07/00/553610700.db2.gz VAURWTCRVWPRET-UHFFFAOYSA-N 0 0 525.694 3.790 50 30 biogenic KHEARN CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(Br)[C@@H](OC(C)=O)C[C@@]21C ZINC000070692294 553610821 /nfs/dbraw/zinc/61/08/21/553610821.db2.gz LSAUHPWMVLZJFA-SJOJMEJSSA-N 0 0 565.457 3.788 50 30 biogenic KHEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(F)cc1 ZINC000070692333 553611202 /nfs/dbraw/zinc/61/12/02/553611202.db2.gz DSGJHGLCXMRKCC-AAXFWFPKSA-N 0 0 583.697 3.611 50 30 biogenic KHEARN C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCc1ccc(O)c(O)c1 ZINC000070692420 553611711 /nfs/dbraw/zinc/61/17/11/553611711.db2.gz AQVJGPWPTUOMQP-FEZMQHRXSA-N 0 0 581.706 3.912 50 30 biogenic KHEARN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1 ZINC000070697021 553612253 /nfs/dbraw/zinc/61/22/53/553612253.db2.gz CNOMDEXAFZBSGL-ZQIDOJFDSA-N 0 0 557.728 3.809 50 30 biogenic KHEARN COC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697284 553612520 /nfs/dbraw/zinc/61/25/20/553612520.db2.gz UCEHSTVERPUINM-XOTAGTGESA-N 0 0 539.673 3.834 50 30 biogenic KHEARN COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C ZINC000070697292 553612420 /nfs/dbraw/zinc/61/24/20/553612420.db2.gz UCEHSTVERPUINM-MQCKLZEISA-N 0 0 539.673 3.834 50 30 biogenic KHEARN C[C@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)c1ccccc1 ZINC000070697727 553613381 /nfs/dbraw/zinc/61/33/81/553613381.db2.gz RYCRVRSGYQZCDH-HNXFZOIHSA-N 0 0 565.707 3.990 50 30 biogenic KHEARN C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@@H](O)C[C@@]21C)c1ccccc1 ZINC000070697736 553613389 /nfs/dbraw/zinc/61/33/89/553613389.db2.gz RYCRVRSGYQZCDH-STRVMMOMSA-N 0 0 565.707 3.990 50 30 biogenic KHEARN 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C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCc1cccnc1 ZINC000070698598 553614761 /nfs/dbraw/zinc/61/47/61/553614761.db2.gz BALOCZADKVMOGB-ZNRCXUDMSA-N 0 0 536.669 3.853 50 30 biogenic KHEARN COc1cc(C/N=C/[C@]23CC[C@H](O)C[C@@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@]23O)cc(OC)c1 ZINC000070698777 553615029 /nfs/dbraw/zinc/61/50/29/553615029.db2.gz LNGKSZJQAFXXSV-MWDUGJQASA-N 0 0 553.696 3.988 50 30 biogenic KHEARN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCCC1=CCCCC1 ZINC000070699598 553616502 /nfs/dbraw/zinc/61/65/02/553616502.db2.gz LPBLSQCGWKWXOP-VOUNWXDJSA-N 0 0 567.723 3.895 50 30 biogenic KHEARN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1 ZINC000070699963 553617380 /nfs/dbraw/zinc/61/73/80/553617380.db2.gz CPWQPDILTSXIIH-IQDQWBDQSA-N 0 0 555.712 3.585 50 30 biogenic KHEARN 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CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/Cc4ccccn4)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@H]1O ZINC000070707998 553631808 /nfs/dbraw/zinc/63/18/08/553631808.db2.gz FFCDTGWYWBXBEK-KRMCYKDGSA-N 0 0 638.802 3.900 50 30 biogenic KHEARN CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/Cc4ccncc4)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@@H]1O ZINC000070708200 553632282 /nfs/dbraw/zinc/63/22/82/553632282.db2.gz FPRYINMZQWLSPW-ASUYJLRBSA-N 0 0 638.802 3.900 50 30 biogenic KHEARN CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/Cc4ccncc4)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@@H](C)[C@@H]1O ZINC000070708201 553632297 /nfs/dbraw/zinc/63/22/97/553632297.db2.gz FPRYINMZQWLSPW-DBQFIXCCSA-N 0 0 638.802 3.900 50 30 biogenic KHEARN CO[C@@H]1C[C@H](O[C@@H]2CC[C@]3(/C=N/Cc4ccncc4)[C@H]4CC[C@]5(C)[C@H](C6=CC(=O)OC6)CC[C@]5(O)[C@@H]4CC[C@]3(O)C2)O[C@H](C)[C@H]1O ZINC000070708204 553632274 /nfs/dbraw/zinc/63/22/74/553632274.db2.gz 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553680933 /nfs/dbraw/zinc/68/09/33/553680933.db2.gz TYJYMROWLCHTNO-DEOSSOPVSA-N 0 0 501.447 3.651 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000085413565 553681023 /nfs/dbraw/zinc/68/10/23/553681023.db2.gz NIBLBALIWZDOAD-RUZDIDTESA-N 0 0 517.490 3.940 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2ccc3c(c2)OCO3)cc1OC ZINC000085413568 553681015 /nfs/dbraw/zinc/68/10/15/553681015.db2.gz NIBLBALIWZDOAD-VWLOTQADSA-N 0 0 517.490 3.940 50 30 KHEARN N#Cc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc(C(=O)N4CCCCCC4)cs3)CC2)c1 ZINC000085641778 553685880 /nfs/dbraw/zinc/68/58/80/553685880.db2.gz VZLFIEXHMJLIAP-UHFFFAOYSA-N 0 0 500.646 3.675 50 30 KHEARN CO[C@H]1C=CO[C@@]2(C)Oc3c(c4c(c(OC(C)=O)c3C)C(=O)C(=CC4=O)NC(=O)/C(C)=C\C=C/[C@H](C)[C@H](O)[C@@H](C)[C@H](O)[C@H](C)[C@H](OC(C)=O)[C@@H]1C)C2=O ZINC000085898579 553690918 /nfs/dbraw/zinc/69/09/18/553690918.db2.gz JCBLMOFMLCIDKU-GVLLLINDSA-N 0 0 737.799 3.850 50 30 KHEARN CC1=NN(c2ccccc2)C(=O)C1=C(NNS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1c(C)cccc1C ZINC000095099957 553698072 /nfs/dbraw/zinc/69/80/72/553698072.db2.gz JNNIFAQVIXCGHP-HTDLHJJCSA-N 0 0 517.611 3.924 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2cc(C)ccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095474499 553701755 /nfs/dbraw/zinc/70/17/55/553701755.db2.gz DIXRUHWHWRHCIA-MUUNZHRXSA-N 0 0 515.537 3.852 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2cc(C)ccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095474500 553701743 /nfs/dbraw/zinc/70/17/43/553701743.db2.gz DIXRUHWHWRHCIA-NDEPHWFRSA-N 0 0 515.537 3.852 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095476082 553701775 /nfs/dbraw/zinc/70/17/75/553701775.db2.gz YKYFPBWVVNYITL-HHHXNRCGSA-N 0 0 501.510 3.543 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(Cc2cccc(C#N)c2)C1=O ZINC000095476083 553701732 /nfs/dbraw/zinc/70/17/32/553701732.db2.gz YKYFPBWVVNYITL-MHZLTWQESA-N 0 0 501.510 3.543 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2ccccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000095478483 553701719 /nfs/dbraw/zinc/70/17/19/553701719.db2.gz WUYRRFWDKPOFQJ-HHHXNRCGSA-N 0 0 501.510 3.543 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2ccccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000095478484 553701838 /nfs/dbraw/zinc/70/18/38/553701838.db2.gz WUYRRFWDKPOFQJ-MHZLTWQESA-N 0 0 501.510 3.543 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000095483304 553702133 /nfs/dbraw/zinc/70/21/33/553702133.db2.gz XRGOKSGVETWBRI-RUZDIDTESA-N 0 0 501.539 3.888 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000095483305 553702111 /nfs/dbraw/zinc/70/21/11/553702111.db2.gz XRGOKSGVETWBRI-VWLOTQADSA-N 0 0 501.539 3.888 50 30 KHEARN COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)O[C@@H]1[C@H](C)[C@@H](O)[C@H](C)C=CC=C(C)C(=O)NC1=C(C)C(OC(C)=O)=c2c(c(O)c(C)c3c2=C(C(C)=CC(C)=O)OCO3)C1=O ZINC000095551458 553704342 /nfs/dbraw/zinc/70/43/42/553704342.db2.gz MIUJOEGCYRFQIS-CIOWKSOTSA-N 0 0 767.825 3.924 50 30 KHEARN COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)O[C@@H]1[C@H](C)[C@@H](O)[C@@H](C)C=CC=C(C)C(=O)NC1=C(C)C(OC(C)=O)=c2c(c(O)c(C)c3c2=C(C(C)=CC(C)=O)OCO3)C1=O ZINC000095551459 553704347 /nfs/dbraw/zinc/70/43/47/553704347.db2.gz MIUJOEGCYRFQIS-QNGMWQRTSA-N 0 0 767.825 3.924 50 30 KHEARN COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)O[C@@H]1[C@H](C)[C@H](O)[C@H](C)C=CC=C(C)C(=O)NC1=C(C)C(OC(C)=O)=c2c(c(O)c(C)c3c2=C(C(C)=CC(C)=O)OCO3)C1=O ZINC000095551460 553704291 /nfs/dbraw/zinc/70/42/91/553704291.db2.gz MIUJOEGCYRFQIS-NBQHYCHDSA-N 0 0 767.825 3.924 50 30 KHEARN COC(=O)[C@@H]1[C@H](O)[C@H](C)[C@H](O)O[C@@H]1[C@H](C)[C@H](O)[C@@H](C)C=CC=C(C)C(=O)NC1=C(C)C(OC(C)=O)=c2c(c(O)c(C)c3c2=C(C(C)=CC(C)=O)OCO3)C1=O ZINC000095551461 553704315 /nfs/dbraw/zinc/70/43/15/553704315.db2.gz MIUJOEGCYRFQIS-ZXWCFEQDSA-N 0 0 767.825 3.924 50 30 KHEARN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000095660844 553706535 /nfs/dbraw/zinc/70/65/35/553706535.db2.gz MPNMHFPNHIKNOA-AEEDLNABSA-N 0 0 590.672 3.637 50 30 KHEARN COc1ccc(N2C(=O)C(=O)/C(=C(/c3ccccc3)N3CCN(/C(=C4\C(=O)C(=O)N(c5ccc(OC)cc5)C4=O)c4ccccc4)CC3)C2=O)cc1 ZINC000095725659 553710286 /nfs/dbraw/zinc/71/02/86/553710286.db2.gz KQCOYNVDCJZYSO-FMWAKIAMSA-N 0 0 696.716 3.729 50 30 KHEARN C=CCOC(=O)c1sc(NC(=O)CN2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c(C(=O)OCC)c1C ZINC000096021829 553717883 /nfs/dbraw/zinc/71/78/83/553717883.db2.gz BURGFJDKMSNNMH-UHFFFAOYSA-N 0 0 585.704 3.674 50 30 KHEARN O=[N+]([O-])c1cc(S(=O)(=O)/N=C(\c2ccccc2)N2CCN(Cc3ccc4c(c3)OCO4)CC2)ccc1Cl ZINC000096022118 553719583 /nfs/dbraw/zinc/71/95/83/553719583.db2.gz AGIURORQRIWZPJ-IMVLJIQESA-N 0 0 543.001 3.930 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)C2CCC2)CC1 ZINC000096210290 553729317 /nfs/dbraw/zinc/72/93/17/553729317.db2.gz FFCFTLWNGKHCIU-AREMUKBSSA-N 0 0 522.690 3.998 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)C2CCC2)CC1 ZINC000096210292 553729376 /nfs/dbraw/zinc/72/93/76/553729376.db2.gz FFCFTLWNGKHCIU-SANMLTNESA-N 0 0 522.690 3.998 50 30 KHEARN C=CCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)C(C)C ZINC000096221416 553730588 /nfs/dbraw/zinc/73/05/88/553730588.db2.gz LTUZQAMUEVLRNQ-LVXARBLLSA-N 0 0 523.630 3.602 50 30 biogenic KHEARN COc1cc(/C=C2/S/C(=N\C(C)=O)NC2=O)cc(I)c1OCc1ccccc1 ZINC000096234519 553731676 /nfs/dbraw/zinc/73/16/76/553731676.db2.gz GKFSCVBFPKWJSS-LICLKQGHSA-N 0 0 508.337 3.985 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1C ZINC000096280128 553736886 /nfs/dbraw/zinc/73/68/86/553736886.db2.gz HGQUUHYGEUQCRN-UHFFFAOYSA-N 0 0 529.641 3.836 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2ccnc2)cc(OC)c1OC ZINC000096319212 553751846 /nfs/dbraw/zinc/75/18/46/553751846.db2.gz KZAGOXDHFSNYID-HXUWFJFHSA-N 0 0 512.588 3.651 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCn2ccnc2)cc(OC)c1OC ZINC000096319213 553751795 /nfs/dbraw/zinc/75/17/95/553751795.db2.gz KZAGOXDHFSNYID-FQEVSTJZSA-N 0 0 512.588 3.651 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096321732 553751779 /nfs/dbraw/zinc/75/17/79/553751779.db2.gz RGHSCMAKULTYNE-NSYGIPOTSA-N 0 0 503.555 3.892 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096321733 553751822 /nfs/dbraw/zinc/75/18/22/553751822.db2.gz RGHSCMAKULTYNE-GKVSMKOHSA-N 0 0 503.555 3.892 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000096321734 553751768 /nfs/dbraw/zinc/75/17/68/553751768.db2.gz RGHSCMAKULTYNE-CRICUBBOSA-N 0 0 503.555 3.892 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000096335829 553752125 /nfs/dbraw/zinc/75/21/25/553752125.db2.gz DBVKSTCEQHHFQX-OAQYLSRUSA-N 0 0 504.495 3.615 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2cc(OC)c3c(c2OC)OCO3)c1 ZINC000096335830 553752149 /nfs/dbraw/zinc/75/21/49/553752149.db2.gz DBVKSTCEQHHFQX-NRFANRHFSA-N 0 0 504.495 3.615 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000096335837 553752320 /nfs/dbraw/zinc/75/23/20/553752320.db2.gz CTBOIWJXKHMFHM-XMMPIXPASA-N 0 0 517.490 3.940 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(Cc3ccc4c(c3)OCO4)[C@H]2c2cc3c(c(OC)c2)OCO3)c1 ZINC000096335838 553752373 /nfs/dbraw/zinc/75/23/73/553752373.db2.gz CTBOIWJXKHMFHM-DEOSSOPVSA-N 0 0 517.490 3.940 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccncc2)cc(OC)c1OC ZINC000096335857 553752329 /nfs/dbraw/zinc/75/23/29/553752329.db2.gz WRHDZCCOZWNVBX-HSZRJFAPSA-N 0 0 504.495 3.615 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccncc2)cc(OC)c1OC ZINC000096335858 553752385 /nfs/dbraw/zinc/75/23/85/553752385.db2.gz WRHDZCCOZWNVBX-QHCPKHFHSA-N 0 0 504.495 3.615 50 30 KHEARN Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)N2CCN(S(=O)(=O)c3ccccc3)[C@@H]2C(C)C)cc1 ZINC000096486893 553754889 /nfs/dbraw/zinc/75/48/89/553754889.db2.gz UVEANWYDOUDFKZ-CJJGVWJISA-N 0 0 532.732 3.557 50 30 KHEARN Cc1ccc(S(=O)(=O)/N=C(\CN2CCCCC2)N2CCN(S(=O)(=O)c3ccccc3)[C@H]2C(C)C)cc1 ZINC000096486894 553754864 /nfs/dbraw/zinc/75/48/64/553754864.db2.gz UVEANWYDOUDFKZ-CZNAVJSXSA-N 0 0 532.732 3.557 50 30 KHEARN CN1C(=O)C[C@H](C(=O)Nc2ccc(I)cc2)S/C1=N/c1ccc2c(c1)OCO2 ZINC000096737093 553757356 /nfs/dbraw/zinc/75/73/56/553757356.db2.gz UOOVVVDHSRFELZ-UFIXSJTLSA-N 0 0 509.325 3.610 50 30 KHEARN CN1C(=O)C[C@@H](C(=O)Nc2ccc(I)cc2)S/C1=N/c1ccc2c(c1)OCO2 ZINC000096737095 553757298 /nfs/dbraw/zinc/75/72/98/553757298.db2.gz UOOVVVDHSRFELZ-QKDOTCOFSA-N 0 0 509.325 3.610 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)ccc1OC(C)=O ZINC000097939658 553760253 /nfs/dbraw/zinc/76/02/53/553760253.db2.gz GETZHHMQCZEPCL-BQNIGPCOSA-N 0 0 545.654 3.920 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)ccc1OC(C)=O ZINC000097939660 553760155 /nfs/dbraw/zinc/76/01/55/553760155.db2.gz GETZHHMQCZEPCL-NFKSOIJDSA-N 0 0 545.654 3.920 50 30 KHEARN COc1cc(-c2ccnc(N3CCN(C(=O)C(F)(F)C(F)(F)C(F)(F)F)CC3)n2)cc(OC)c1OC ZINC000097940641 553766745 /nfs/dbraw/zinc/76/67/45/553766745.db2.gz KCQAMMAUAWTJNP-UHFFFAOYSA-N 0 0 526.409 3.651 50 30 KHEARN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COC[C@H](O)COC[C@H](O)CO ZINC000097944287 553769061 /nfs/dbraw/zinc/76/90/61/553769061.db2.gz SJLAFUFWXUJDDR-ABMKNVGCSA-N 0 0 504.705 3.675 50 30 KHEARN CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](O)COC[C@@H](O)COC[C@H](O)CO ZINC000097944289 553769028 /nfs/dbraw/zinc/76/90/28/553769028.db2.gz SJLAFUFWXUJDDR-SZBGTGROSA-N 0 0 504.705 3.675 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC#N)cc4)c(=O)n32)cc1OCC ZINC000097944513 553770075 /nfs/dbraw/zinc/77/00/75/553770075.db2.gz YYSARYLWKCMLJX-ABBNRAPFSA-N 0 0 559.644 3.664 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC#N)cc4)c(=O)n32)cc1OCC ZINC000097944514 553770206 /nfs/dbraw/zinc/77/02/06/553770206.db2.gz YYSARYLWKCMLJX-CSJROMOCSA-N 0 0 559.644 3.664 50 30 KHEARN N#Cc1ccccc1COc1ccc(Br)cc1/C=C1\SC(=O)N(CC(=O)N2CCOCC2)C1=O ZINC000097944914 553770374 /nfs/dbraw/zinc/77/03/74/553770374.db2.gz JUHWXZAXOFWDLT-MTJSOVHGSA-N 0 0 542.411 3.795 50 30 KHEARN C=CCn1c(SCC(=O)Nc2sc(C(=O)N(C)C)c(C)c2C(=O)OC)nnc1-c1ccccc1OC ZINC000097945508 553772730 /nfs/dbraw/zinc/77/27/30/553772730.db2.gz SODDDTVVYWMENI-UHFFFAOYSA-N 0 0 529.644 3.729 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccc(OC)cc3)CC2)SC1=S ZINC000097946193 553777462 /nfs/dbraw/zinc/77/74/62/553777462.db2.gz FAOUJYZUIMAFLS-XLNRJJMWSA-N 0 0 533.679 3.725 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC=C)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946368 553778771 /nfs/dbraw/zinc/77/87/71/553778771.db2.gz TZKGTGOYNRMOQM-UYUFHXMSSA-N 0 0 607.644 3.679 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC=C)C3=O)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946369 553778706 /nfs/dbraw/zinc/77/87/06/553778706.db2.gz TZKGTGOYNRMOQM-IECPXTFPSA-N 0 0 607.644 3.679 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCC)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946370 553778684 /nfs/dbraw/zinc/77/86/84/553778684.db2.gz UQAHTGWUMKWOJA-UYUFHXMSSA-N 0 0 609.660 3.903 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CCC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097946371 553778704 /nfs/dbraw/zinc/77/87/04/553778704.db2.gz UQAHTGWUMKWOJA-IECPXTFPSA-N 0 0 609.660 3.903 50 30 KHEARN CCCCCCCCN1C(=O)/C(=C/c2c(=O)n3cccc(C)c3nc2N2CCN(CCO)CC2)SC1=S ZINC000097946532 553780061 /nfs/dbraw/zinc/78/00/61/553780061.db2.gz VZJDTSLEIZEPLJ-QOCHGBHMSA-N 0 0 543.759 3.679 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000097946835 553781812 /nfs/dbraw/zinc/78/18/12/553781812.db2.gz CNZHCQYVEDAIQK-YRIXTDLASA-N 0 0 605.672 3.625 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(C(=O)OC)cc2)C(C(=O)OCC)=C(c2ccccc2)N=3)C1=O ZINC000097946836 553781843 /nfs/dbraw/zinc/78/18/43/553781843.db2.gz CNZHCQYVEDAIQK-WPRNYWBVSA-N 0 0 605.672 3.625 50 30 KHEARN C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S ZINC000097947111 553783669 /nfs/dbraw/zinc/78/36/69/553783669.db2.gz XKRUTFIMRCEHBJ-QJOMJCCJSA-N 0 0 552.703 3.947 50 30 KHEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc([C@@H]4COc5ccccc5O4)nn3c2=O)C1=O ZINC000097947182 553784451 /nfs/dbraw/zinc/78/44/51/553784451.db2.gz BMGSXTPKPYAETK-MUBPVYAGSA-N 0 0 502.596 3.898 50 30 KHEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc([C@H]4COc5ccccc5O4)nn3c2=O)C1=O ZINC000097947183 553784526 /nfs/dbraw/zinc/78/45/26/553784526.db2.gz BMGSXTPKPYAETK-XSSWQJIQSA-N 0 0 502.596 3.898 50 30 KHEARN CCOC(=O)N1CCN(c2c(/C=C3\SC(=S)N(Cc4ccc(C)cc4)C3=O)c(C)c(C#N)c(=O)n2C)CC1 ZINC000097947518 553786812 /nfs/dbraw/zinc/78/68/12/553786812.db2.gz AGPMDNFTFHCRGQ-HMAPJEAMSA-N 0 0 551.694 3.554 50 30 KHEARN CCCSc1ncc(Br)c(C(=O)N[C@@H](CCSC)C(=O)ONC(=N)c2cccs2)n1 ZINC000097947522 553786828 /nfs/dbraw/zinc/78/68/28/553786828.db2.gz IQQSMVBDLCJPLL-LBPRGKRZSA-N 0 0 532.511 3.518 50 30 KHEARN CCCSc1ncc(Br)c(C(=O)N[C@H](CCSC)C(=O)ONC(=N)c2cccs2)n1 ZINC000097947523 553786816 /nfs/dbraw/zinc/78/68/16/553786816.db2.gz IQQSMVBDLCJPLL-GFCCVEGCSA-N 0 0 532.511 3.518 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000097947677 553788057 /nfs/dbraw/zinc/78/80/57/553788057.db2.gz CIVMPZHCYVYWTJ-YJADQXIJSA-N 0 0 553.434 3.652 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000097947678 553788081 /nfs/dbraw/zinc/78/80/81/553788081.db2.gz CIVMPZHCYVYWTJ-XOYGFPHKSA-N 0 0 553.434 3.652 50 30 KHEARN N#C[C@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000097951113 553807292 /nfs/dbraw/zinc/80/72/92/553807292.db2.gz OUHJRWAOFBKJRQ-DEOSSOPVSA-N 0 0 534.620 3.647 50 30 KHEARN N#C[C@@H](C(=O)NCCc1ccccc1)c1nc2ccccc2nc1N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000097951114 553807283 /nfs/dbraw/zinc/80/72/83/553807283.db2.gz OUHJRWAOFBKJRQ-XMMPIXPASA-N 0 0 534.620 3.647 50 30 KHEARN Cc1ccc(S(=O)(=O)NC2=C(N3CCN(Cc4ccc5c(c4)OCO5)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000097951196 553807579 /nfs/dbraw/zinc/80/75/79/553807579.db2.gz DNNARVUERWVWPT-BXVZCJGGSA-N 0 0 545.617 3.794 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000097951372 553808525 /nfs/dbraw/zinc/80/85/25/553808525.db2.gz MFTHDMXQDVTTCP-JVCXMKTPSA-N 0 0 530.606 3.720 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097951769 553811100 /nfs/dbraw/zinc/81/11/00/553811100.db2.gz MTVWOTLAPOQSOQ-RUZDIDTESA-N 0 0 536.581 3.759 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097951770 553811182 /nfs/dbraw/zinc/81/11/82/553811182.db2.gz MTVWOTLAPOQSOQ-VWLOTQADSA-N 0 0 536.581 3.759 50 30 KHEARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000097952095 553813280 /nfs/dbraw/zinc/81/32/80/553813280.db2.gz QLEPRILWPMGRJO-OAHLLOKOSA-N 0 0 500.339 3.604 50 30 KHEARN O=C(Nc1cccc(S(=O)(=O)N2CCCC2)c1)C(F)(F)[C@]1(F)OC(F)(F)C(F)(F)C1(F)F ZINC000097952096 553813294 /nfs/dbraw/zinc/81/32/94/553813294.db2.gz QLEPRILWPMGRJO-HNNXBMFYSA-N 0 0 500.339 3.604 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000097952189 553813817 /nfs/dbraw/zinc/81/38/17/553813817.db2.gz PWWIKBGTKINBPW-HSZRJFAPSA-N 0 0 543.414 3.521 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000097952190 553813838 /nfs/dbraw/zinc/81/38/38/553813838.db2.gz PWWIKBGTKINBPW-QHCPKHFHSA-N 0 0 543.414 3.521 50 30 KHEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953108 553819434 /nfs/dbraw/zinc/81/94/34/553819434.db2.gz KRFQKFOVSGPBCV-HHHXNRCGSA-N 0 0 536.625 3.937 50 30 KHEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953109 553819445 /nfs/dbraw/zinc/81/94/45/553819445.db2.gz KRFQKFOVSGPBCV-MHZLTWQESA-N 0 0 536.625 3.937 50 30 KHEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953160 553819659 /nfs/dbraw/zinc/81/96/59/553819659.db2.gz MPQGTPNZTDFSMM-HHHXNRCGSA-N 0 0 536.625 3.793 50 30 KHEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000097953161 553819720 /nfs/dbraw/zinc/81/97/20/553819720.db2.gz MPQGTPNZTDFSMM-MHZLTWQESA-N 0 0 536.625 3.793 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097953959 553820336 /nfs/dbraw/zinc/82/03/36/553820336.db2.gz JQIVXDLQOVRMKQ-HXUWFJFHSA-N 0 0 534.359 3.549 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097953960 553820277 /nfs/dbraw/zinc/82/02/77/553820277.db2.gz JQIVXDLQOVRMKQ-FQEVSTJZSA-N 0 0 534.359 3.549 50 30 KHEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097953983 553820350 /nfs/dbraw/zinc/82/03/50/553820350.db2.gz WDVOFVVUHHPTOJ-HHHXNRCGSA-N 0 0 536.625 3.937 50 30 KHEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097953984 553820383 /nfs/dbraw/zinc/82/03/83/553820383.db2.gz WDVOFVVUHHPTOJ-MHZLTWQESA-N 0 0 536.625 3.937 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097954410 553822832 /nfs/dbraw/zinc/82/28/32/553822832.db2.gz GIARQJDDXDPKLE-XMMPIXPASA-N 0 0 536.585 3.691 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000097954411 553822854 /nfs/dbraw/zinc/82/28/54/553822854.db2.gz GIARQJDDXDPKLE-DEOSSOPVSA-N 0 0 536.585 3.691 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954428 553823196 /nfs/dbraw/zinc/82/31/96/553823196.db2.gz GWIDEMCVTGCUGI-UZTOHYMASA-N 0 0 536.625 3.718 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954429 553823212 /nfs/dbraw/zinc/82/32/12/553823212.db2.gz GWIDEMCVTGCUGI-PPHZAIPVSA-N 0 0 536.625 3.718 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954430 553823138 /nfs/dbraw/zinc/82/31/38/553823138.db2.gz GWIDEMCVTGCUGI-XHCCPWGMSA-N 0 0 536.625 3.718 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097954431 553823147 /nfs/dbraw/zinc/82/31/47/553823147.db2.gz GWIDEMCVTGCUGI-WINIVTDRSA-N 0 0 536.625 3.718 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097954452 553823237 /nfs/dbraw/zinc/82/32/37/553823237.db2.gz WWJJZNXEKYULTF-RUZDIDTESA-N 0 0 536.581 3.759 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097954453 553823232 /nfs/dbraw/zinc/82/32/32/553823232.db2.gz WWJJZNXEKYULTF-VWLOTQADSA-N 0 0 536.581 3.759 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(OC)c(OC)c3)oc21 ZINC000097954551 553824220 /nfs/dbraw/zinc/82/42/20/553824220.db2.gz RXWPTWGOEOJVMK-RUZDIDTESA-N 0 0 536.581 3.759 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(OC)c(OC)c3)oc21 ZINC000097954552 553824165 /nfs/dbraw/zinc/82/41/65/553824165.db2.gz RXWPTWGOEOJVMK-VWLOTQADSA-N 0 0 536.581 3.759 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000097954713 553825021 /nfs/dbraw/zinc/82/50/21/553825021.db2.gz ARSAIQCOMPMBOK-HSZRJFAPSA-N 0 0 539.430 3.706 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000097954714 553824991 /nfs/dbraw/zinc/82/49/91/553824991.db2.gz ARSAIQCOMPMBOK-QHCPKHFHSA-N 0 0 539.430 3.706 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097954816 553825750 /nfs/dbraw/zinc/82/57/50/553825750.db2.gz BTEMKEQIYONZBD-XMMPIXPASA-N 0 0 501.543 3.525 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000097954817 553825780 /nfs/dbraw/zinc/82/57/80/553825780.db2.gz BTEMKEQIYONZBD-DEOSSOPVSA-N 0 0 501.543 3.525 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(OC)c3OC)oc21 ZINC000097954847 553826110 /nfs/dbraw/zinc/82/61/10/553826110.db2.gz WRUBDGGQHKMRDX-XMMPIXPASA-N 0 0 536.581 3.759 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(OC)c3OC)oc21 ZINC000097954848 553826064 /nfs/dbraw/zinc/82/60/64/553826064.db2.gz WRUBDGGQHKMRDX-DEOSSOPVSA-N 0 0 536.581 3.759 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000097954878 553826417 /nfs/dbraw/zinc/82/64/17/553826417.db2.gz XQURBBSYZDGBAP-RUZDIDTESA-N 0 0 540.638 3.651 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)=C(O)C(=O)N2CCOC)cc1 ZINC000097954879 553826400 /nfs/dbraw/zinc/82/64/00/553826400.db2.gz XQURBBSYZDGBAP-VWLOTQADSA-N 0 0 540.638 3.651 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097956755 553841505 /nfs/dbraw/zinc/84/15/05/553841505.db2.gz HXTBVSNWZMQEEJ-AREMUKBSSA-N 0 0 542.604 3.931 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000097956756 553841454 /nfs/dbraw/zinc/84/14/54/553841454.db2.gz HXTBVSNWZMQEEJ-SANMLTNESA-N 0 0 542.604 3.931 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000097956767 553841550 /nfs/dbraw/zinc/84/15/50/553841550.db2.gz HIJLVSHPLYRDGI-RUZDIDTESA-N 0 0 542.604 3.931 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000097956768 553841567 /nfs/dbraw/zinc/84/15/67/553841567.db2.gz HIJLVSHPLYRDGI-VWLOTQADSA-N 0 0 542.604 3.931 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097956938 553843324 /nfs/dbraw/zinc/84/33/24/553843324.db2.gz YPHWDYFGSWWHFM-AREMUKBSSA-N 0 0 542.604 3.931 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000097956939 553843293 /nfs/dbraw/zinc/84/32/93/553843293.db2.gz YPHWDYFGSWWHFM-SANMLTNESA-N 0 0 542.604 3.931 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097956980 553843522 /nfs/dbraw/zinc/84/35/22/553843522.db2.gz NOFNZASNKBBXCH-AREMUKBSSA-N 0 0 572.630 3.939 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097956981 553843639 /nfs/dbraw/zinc/84/36/39/553843639.db2.gz NOFNZASNKBBXCH-SANMLTNESA-N 0 0 572.630 3.939 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097957028 553843869 /nfs/dbraw/zinc/84/38/69/553843869.db2.gz MOIORNQIIQXXPJ-RUZDIDTESA-N 0 0 558.603 3.549 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097957029 553843850 /nfs/dbraw/zinc/84/38/50/553843850.db2.gz MOIORNQIIQXXPJ-VWLOTQADSA-N 0 0 558.603 3.549 50 30 KHEARN CC1(C)CC2=C(C(=O)C1)[C@](NS(=O)(=O)c1ccc(N)cc1)(C(F)(F)F)C(=O)N2Cc1ccc(F)cc1 ZINC000097957227 553845191 /nfs/dbraw/zinc/84/51/91/553845191.db2.gz ROPSHQREANQUJF-HSZRJFAPSA-N 0 0 525.524 3.673 50 30 KHEARN CC1(C)CC2=C(C(=O)C1)[C@@](NS(=O)(=O)c1ccc(N)cc1)(C(F)(F)F)C(=O)N2Cc1ccc(F)cc1 ZINC000097957228 553845197 /nfs/dbraw/zinc/84/51/97/553845197.db2.gz ROPSHQREANQUJF-QHCPKHFHSA-N 0 0 525.524 3.673 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097957633 553847063 /nfs/dbraw/zinc/84/70/63/553847063.db2.gz CEKVPKDFJNHKCJ-PIJNJCDPSA-N 0 0 595.633 3.513 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C3/c4ccccc4N(CC)C3=O)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000097957634 553847103 /nfs/dbraw/zinc/84/71/03/553847103.db2.gz CEKVPKDFJNHKCJ-ORDRXGECSA-N 0 0 595.633 3.513 50 30 KHEARN O=C(CCN(/N=C/c1cc(Br)ccc1O)C1=NS(=O)(=O)c2ccccc21)NC1CCCCC1 ZINC000097958148 553851735 /nfs/dbraw/zinc/85/17/35/553851735.db2.gz PDWLDPXUVDBGNH-MFKUBSTISA-N 0 0 533.448 3.779 50 30 KHEARN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000097959670 553865430 /nfs/dbraw/zinc/86/54/30/553865430.db2.gz GRXCDHRQKDALGS-QWYUUOJISA-N 0 0 535.625 3.895 50 30 KHEARN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OC)cc1)C(C(=O)Nc1ccccc1)=C(C)N=2 ZINC000097959671 553865458 /nfs/dbraw/zinc/86/54/58/553865458.db2.gz GRXCDHRQKDALGS-QVOHLBINSA-N 0 0 535.625 3.895 50 30 KHEARN COc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)n2)cc1OC ZINC000097961223 553875967 /nfs/dbraw/zinc/87/59/67/553875967.db2.gz DYLHEPSQZZXUDG-UHFFFAOYSA-N 0 0 525.612 3.898 50 30 KHEARN N#CCCN(CCC#N)S(=O)(=O)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)c2)cc1 ZINC000097961491 553878410 /nfs/dbraw/zinc/87/84/10/553878410.db2.gz WRDABLDUSNMMLZ-UHFFFAOYSA-N 0 0 686.776 3.827 50 30 KHEARN Cc1cc(C)nc(NC(=NC(=S)Nc2ccc(F)c(Cl)c2)NCCc2ccc(S(N)(=O)=O)cc2)n1 ZINC000097962198 553883580 /nfs/dbraw/zinc/88/35/80/553883580.db2.gz PTJRVCFHZQHYQL-UHFFFAOYSA-N 0 0 536.058 3.531 50 30 KHEARN CCCOc1c(I)cc(I)cc1/C=C1\S/C(=N/C(C)=O)NC1=O ZINC000097962619 553884631 /nfs/dbraw/zinc/88/46/31/553884631.db2.gz UMZFFBYYIJBIQW-SDQBBNPISA-N 0 0 556.163 3.791 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097962745 553885445 /nfs/dbraw/zinc/88/54/45/553885445.db2.gz XODTVUVUJXHXBI-ASSGYOTOSA-N 0 0 556.596 3.785 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OC)=C(C)N=3)cc1 ZINC000097962746 553885419 /nfs/dbraw/zinc/88/54/19/553885419.db2.gz XODTVUVUJXHXBI-OGRZUZBBSA-N 0 0 556.596 3.785 50 30 KHEARN Cc1c(C#N)c(NC(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)sc1Cc1ccc2c(c1)OCO2 ZINC000097963312 553888600 /nfs/dbraw/zinc/88/86/00/553888600.db2.gz MZKFLETYTKBKBC-UHFFFAOYSA-N 0 0 525.608 3.521 50 30 KHEARN CCOC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3sc(Cc4ccc5c(c4)OCO5)c(C)c3C#N)cc2)CC1 ZINC000097963313 553888567 /nfs/dbraw/zinc/88/85/67/553888567.db2.gz GZSNZPZUHJXQDP-UHFFFAOYSA-N 0 0 596.687 3.963 50 30 KHEARN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CCN(C(=O)OCC)C3)cc1 ZINC000097963517 553891441 /nfs/dbraw/zinc/89/14/41/553891441.db2.gz HMXNCVGDOJTRAT-UHFFFAOYSA-N 0 0 547.655 3.664 50 30 KHEARN CCOc1cc(C(=O)/N=c2\c(C#N)cc3c(nc4c(C)cccn4c3=O)n2CCCOC)cc(OCC)c1OCC ZINC000097965079 553902545 /nfs/dbraw/zinc/90/25/45/553902545.db2.gz PAHQGPRHLNNUAG-MUGXBBEHSA-N 0 0 559.623 3.803 50 30 KHEARN CCOc1cc(C(=O)/N=c2\c(C#N)cc3c(nc4c(C)cccn4c3=O)n2C[C@@H]2CCCO2)cc(OCC)c1OCC ZINC000097965085 553902493 /nfs/dbraw/zinc/90/24/93/553902493.db2.gz ACAKDQLLIHSNAS-QMFXTMFKSA-N 0 0 571.634 3.946 50 30 KHEARN CCOc1cc(C(=O)/N=c2\c(C#N)cc3c(nc4c(C)cccn4c3=O)n2C[C@H]2CCCO2)cc(OCC)c1OCC ZINC000097965086 553902503 /nfs/dbraw/zinc/90/25/03/553902503.db2.gz ACAKDQLLIHSNAS-FKLIUTMBSA-N 0 0 571.634 3.946 50 30 KHEARN CCOCCCn1c2nc3ccccn3c(=O)c2cc(C#N)/c1=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1 ZINC000097965092 553902518 /nfs/dbraw/zinc/90/25/18/553902518.db2.gz AQEIRLGWVANJCL-MUGXBBEHSA-N 0 0 559.623 3.885 50 30 KHEARN COc1ccc(S(=O)(=O)N/N=C\c2cn(Cc3ccccc3)nc2-c2ccc(OC)c(OC)c2)c(OC)c1 ZINC000097965715 553905830 /nfs/dbraw/zinc/90/58/30/553905830.db2.gz GFLATHLDHPHDFG-NTFVMDSBSA-N 0 0 536.610 3.945 50 30 KHEARN COc1ccc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)c(OC)c1 ZINC000097966087 553907090 /nfs/dbraw/zinc/90/70/90/553907090.db2.gz HCOVXOCXBCJXIM-QFEZKATASA-N 0 0 528.411 3.986 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097966412 553908671 /nfs/dbraw/zinc/90/86/71/553908671.db2.gz LGFPXVAKICFLTQ-PNZYDNNZSA-N 0 0 613.486 3.669 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(Br)ccc3OC(C)=O)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097966413 553908635 /nfs/dbraw/zinc/90/86/35/553908635.db2.gz LGFPXVAKICFLTQ-CBYYHRJHSA-N 0 0 613.486 3.669 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000097966482 553909013 /nfs/dbraw/zinc/90/90/13/553909013.db2.gz APSPQDOPHWOTAJ-RQLGBQGVSA-N 0 0 555.450 3.744 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(Br)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000097966483 553909027 /nfs/dbraw/zinc/90/90/27/553909027.db2.gz APSPQDOPHWOTAJ-FJWZAKCXSA-N 0 0 555.450 3.744 50 30 KHEARN CCOC(=O)c1ccc(NC(=O)C(C#N)=c2sc(=Cc3cc(OC)c(OC)c(OC)c3)c(=O)n2-c2ccccc2)cc1 ZINC000097966713 553909606 /nfs/dbraw/zinc/90/96/06/553909606.db2.gz OHZNICKGKSRESB-MNQBXWCXSA-N 0 0 585.638 3.893 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966960 553912291 /nfs/dbraw/zinc/91/22/91/553912291.db2.gz TUDWJFPXOQOYEG-GYCJOSAFSA-N 0 0 587.467 3.787 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966961 553912204 /nfs/dbraw/zinc/91/22/04/553912204.db2.gz TUDWJFPXOQOYEG-FYSMJZIKSA-N 0 0 587.467 3.787 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966962 553912304 /nfs/dbraw/zinc/91/23/04/553912304.db2.gz TUDWJFPXOQOYEG-VOIUYBSRSA-N 0 0 587.467 3.787 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000097966963 553912380 /nfs/dbraw/zinc/91/23/80/553912380.db2.gz TUDWJFPXOQOYEG-UPCLLVRISA-N 0 0 587.467 3.787 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097966964 553912215 /nfs/dbraw/zinc/91/22/15/553912215.db2.gz CANAQHPTAIOOES-MHZLTWQESA-N 0 0 576.650 3.507 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000097966965 553912360 /nfs/dbraw/zinc/91/23/60/553912360.db2.gz CANAQHPTAIOOES-HHHXNRCGSA-N 0 0 576.650 3.507 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000097966974 553912753 /nfs/dbraw/zinc/91/27/53/553912753.db2.gz PGUCLTISQOLRAQ-DEOSSOPVSA-N 0 0 566.611 3.699 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000097966975 553912647 /nfs/dbraw/zinc/91/26/47/553912647.db2.gz PGUCLTISQOLRAQ-XMMPIXPASA-N 0 0 566.611 3.699 50 30 KHEARN CCOC(=O)C1CCN(S(=O)(=O)c2cccc(-c3csc(N=NCc4ccc(OC)cc4OC)n3)c2)CC1 ZINC000097967251 553915710 /nfs/dbraw/zinc/91/57/10/553915710.db2.gz HNLFWSZLRCUTLF-JVWAILMASA-N 0 0 558.682 4.237 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000097967261 553915864 /nfs/dbraw/zinc/91/58/64/553915864.db2.gz GGMKKHMIDDPAMA-QHCPKHFHSA-N 0 0 582.506 3.544 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1 ZINC000097967262 553915822 /nfs/dbraw/zinc/91/58/22/553915822.db2.gz GGMKKHMIDDPAMA-HSZRJFAPSA-N 0 0 582.506 3.544 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967418 553918048 /nfs/dbraw/zinc/91/80/48/553918048.db2.gz KEGZKVPVLZEKKB-MUUNZHRXSA-N 0 0 564.635 3.722 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097967419 553918162 /nfs/dbraw/zinc/91/81/62/553918162.db2.gz KEGZKVPVLZEKKB-NDEPHWFRSA-N 0 0 564.635 3.722 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968297 553930376 /nfs/dbraw/zinc/93/03/76/553930376.db2.gz ZPZFMMFDEXZZOG-GDLZYMKVSA-N 0 0 556.615 3.947 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000097968298 553930402 /nfs/dbraw/zinc/93/04/02/553930402.db2.gz ZPZFMMFDEXZZOG-LJAQVGFWSA-N 0 0 556.615 3.947 50 30 KHEARN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000097968493 553932834 /nfs/dbraw/zinc/93/28/34/553932834.db2.gz RRVWLVYLXLKQAV-AYWGPLOBSA-N 0 0 534.037 3.743 50 30 KHEARN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000097968494 553932878 /nfs/dbraw/zinc/93/28/78/553932878.db2.gz RRVWLVYLXLKQAV-ZHHPLPSFSA-N 0 0 534.037 3.743 50 30 KHEARN COc1ccc(S(=O)(=O)N2c3ccccc3C(=C3SC(=NS(=O)(=O)c4ccccc4)NC3=O)C2=O)cc1 ZINC000097968545 553933145 /nfs/dbraw/zinc/93/31/45/553933145.db2.gz NOLMQCBUVNEOSX-MRCUWXFGSA-N 0 0 555.615 3.590 50 30 KHEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2ccc(OC)c(OC)c2OC)c(=O)n1-c1ccccc1 ZINC000097968715 553934029 /nfs/dbraw/zinc/93/40/29/553934029.db2.gz WFPXCQAXACNNHF-CYRWGSDVSA-N 0 0 543.601 3.725 50 30 KHEARN COc1ccccc1NC(=O)C(C#N)=c1sc(=Cc2cc(OC)c(OC)c(OC)c2)c(=O)n1-c1ccccc1 ZINC000097968716 553934016 /nfs/dbraw/zinc/93/40/16/553934016.db2.gz JWEKVRUKQMZDGW-GWHYABENSA-N 0 0 543.601 3.725 50 30 KHEARN CCOC(=O)c1ccc(-c2ccc(/C=c3/s/c(=C(/C#N)C(=O)NCc4ccco4)n(-c4ccccc4)c3=O)o2)cc1 ZINC000097968736 553934036 /nfs/dbraw/zinc/93/40/36/553934036.db2.gz TWZJUZKPKRZDMX-RDXJAXKBSA-N 0 0 565.607 3.748 50 30 KHEARN N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000097968760 553934358 /nfs/dbraw/zinc/93/43/58/553934358.db2.gz KJVHHTJHINZKCK-QDBKMMTNSA-N 0 0 530.447 3.523 50 30 KHEARN CCCCCCCCCn1c(NN=C2C(=O)Nc3ccc(Br)cc32)nc2c1c(=O)[nH]c(=O)n2C ZINC000097968816 553934617 /nfs/dbraw/zinc/93/46/17/553934617.db2.gz NMYCEHUZRZVLFE-UHFFFAOYSA-N 0 0 530.427 3.705 50 30 KHEARN CCOc1ccc(Br)cc1/C=c1/s/c(=C(/C#N)C(=O)NCCc2ccccc2)n(-c2ccccc2)c1=O ZINC000097968957 553935181 /nfs/dbraw/zinc/93/51/81/553935181.db2.gz CSXYRGXALRAJHI-TUJHGFBRSA-N 0 0 574.500 3.922 50 30 KHEARN CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)NCc2ccccc2)n(-c2ccccc2)c1=O ZINC000097969238 553938464 /nfs/dbraw/zinc/93/84/64/553938464.db2.gz KWEOYTVOHXYSCO-QUTFRIDHSA-N 0 0 560.473 3.880 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097969515 553941857 /nfs/dbraw/zinc/94/18/57/553941857.db2.gz MKDHUUOIFUMSHZ-SANMLTNESA-N 0 0 554.640 3.719 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000097969516 553941915 /nfs/dbraw/zinc/94/19/15/553941915.db2.gz MKDHUUOIFUMSHZ-AREMUKBSSA-N 0 0 554.640 3.719 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097969878 553946505 /nfs/dbraw/zinc/94/65/05/553946505.db2.gz ZYLOBGOXDROYPY-HHHXNRCGSA-N 0 0 552.624 3.556 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097969879 553946541 /nfs/dbraw/zinc/94/65/41/553946541.db2.gz ZYLOBGOXDROYPY-MHZLTWQESA-N 0 0 552.624 3.556 50 30 KHEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970283 553952138 /nfs/dbraw/zinc/95/21/38/553952138.db2.gz COJQEWIZHYBNFH-MUUNZHRXSA-N 0 0 566.651 3.946 50 30 KHEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970284 553952143 /nfs/dbraw/zinc/95/21/43/553952143.db2.gz COJQEWIZHYBNFH-NDEPHWFRSA-N 0 0 566.651 3.946 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097970515 553955037 /nfs/dbraw/zinc/95/50/37/553955037.db2.gz BONBXOMOHCRZIC-MUUNZHRXSA-N 0 0 566.651 3.946 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000097970516 553954936 /nfs/dbraw/zinc/95/49/36/553954936.db2.gz BONBXOMOHCRZIC-NDEPHWFRSA-N 0 0 566.651 3.946 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970743 553958346 /nfs/dbraw/zinc/95/83/46/553958346.db2.gz XBOBAVNPHBWEJC-HHHXNRCGSA-N 0 0 552.624 3.556 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000097970744 553958213 /nfs/dbraw/zinc/95/82/13/553958213.db2.gz XBOBAVNPHBWEJC-MHZLTWQESA-N 0 0 552.624 3.556 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000097970896 553959260 /nfs/dbraw/zinc/95/92/60/553959260.db2.gz JXYGTNHGLONKAX-VWLOTQADSA-N 0 0 566.607 3.768 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000097970897 553959291 /nfs/dbraw/zinc/95/92/91/553959291.db2.gz JXYGTNHGLONKAX-RUZDIDTESA-N 0 0 566.607 3.768 50 30 KHEARN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000097973016 553967744 /nfs/dbraw/zinc/96/77/44/553967744.db2.gz MPNMHFPNHIKNOA-NIVXRMQLSA-N 0 0 590.672 3.637 50 30 KHEARN CO[C@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000097973017 553967742 /nfs/dbraw/zinc/96/77/42/553967742.db2.gz MPNMHFPNHIKNOA-PZIBSJIKSA-N 0 0 590.672 3.637 50 30 KHEARN CC[C@@H](C)n1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097978977 553975601 /nfs/dbraw/zinc/97/56/01/553975601.db2.gz YFGLTJZIXNVBMW-JOCHJYFZSA-N 0 0 689.886 3.919 50 30 KHEARN CC[C@H](C)n1c(SCC(=O)Nc2cccc(S(=O)(=O)N=C3CCCCCN3)c2)nnc1-c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000097978978 553975498 /nfs/dbraw/zinc/97/54/98/553975498.db2.gz YFGLTJZIXNVBMW-QFIPXVFZSA-N 0 0 689.886 3.919 50 30 KHEARN O=C(COC(=O)CNC(=O)c1sc2ccccc2c1Cl)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097978992 553975436 /nfs/dbraw/zinc/97/54/36/553975436.db2.gz DIBDRAHCRSTZGD-UHFFFAOYSA-N 0 0 577.084 3.717 50 30 KHEARN Cc1c2cc(Br)ccc2oc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000097979020 553975766 /nfs/dbraw/zinc/97/57/66/553975766.db2.gz KGFHNSKODQYVLQ-UHFFFAOYSA-N 0 0 534.388 3.770 50 30 KHEARN O=C(CSc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Nc1cccc(S(=O)(=O)N=C2CCCN2)c1 ZINC000097979028 553975824 /nfs/dbraw/zinc/97/58/24/553975824.db2.gz ORADJSYGMOZACT-UHFFFAOYSA-N 0 0 539.664 3.853 50 30 KHEARN O=C(COC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979081 553976150 /nfs/dbraw/zinc/97/61/50/553976150.db2.gz NOOOEUOSCHWMOE-AREMUKBSSA-N 0 0 576.675 3.981 50 30 KHEARN O=C(COC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979082 553976139 /nfs/dbraw/zinc/97/61/39/553976139.db2.gz NOOOEUOSCHWMOE-SANMLTNESA-N 0 0 576.675 3.981 50 30 KHEARN CN1c2ccccc2C(C)(C)C1=CC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N3CCOCC3)c2)o1 ZINC000097979632 553981147 /nfs/dbraw/zinc/98/11/47/553981147.db2.gz BEQMEOSJTQIPPO-KQWNVCNZSA-N 0 0 540.667 3.730 50 30 KHEARN O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097979980 553984245 /nfs/dbraw/zinc/98/42/45/553984245.db2.gz ZEKCIAYXXDIOCG-UHFFFAOYSA-N 0 0 557.629 3.631 50 30 KHEARN O=C(CSc1nnc(COc2ccc(F)cc2)o1)Nc1ccc(S(=O)(=O)N=C2CCCCCN2)cc1 ZINC000097979995 553984222 /nfs/dbraw/zinc/98/42/22/553984222.db2.gz ZYJQYCXNRGJFKT-UHFFFAOYSA-N 0 0 533.607 3.769 50 30 KHEARN O=C(c1cccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)c1)N1CCS/C1=N\CCc1ccccc1 ZINC000097980292 553987229 /nfs/dbraw/zinc/98/72/29/553987229.db2.gz CIQQFKSSERBZEM-ZIADKAODSA-N 0 0 534.707 3.985 50 30 KHEARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)cc1S(=O)(=O)N1CCCC[C@H]1C ZINC000097980416 553988462 /nfs/dbraw/zinc/98/84/62/553988462.db2.gz BAMLLNNPCXXYCA-LJQANCHMSA-N 0 0 562.714 3.761 50 30 KHEARN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)N=C3CCCCCN3)cc2)cc1S(=O)(=O)N1CCCC[C@@H]1C ZINC000097980417 553988419 /nfs/dbraw/zinc/98/84/19/553988419.db2.gz BAMLLNNPCXXYCA-IBGZPJMESA-N 0 0 562.714 3.761 50 30 KHEARN COc1ccc(CN2C(=O)c3ccccc3C(=CNc3cccc(S(=O)(=O)N=C4CCCN4)c3)C2=O)cc1 ZINC000097980547 553989572 /nfs/dbraw/zinc/98/95/72/553989572.db2.gz BTIKOGHNYLPVCP-KOEQRZSOSA-N 0 0 530.606 3.801 50 30 KHEARN CN(CCOc1ccc(Br)cc1)CC(=O)Nc1cccc(S(=O)(=O)N=C2CCCCCN2)c1 ZINC000097981595 553995790 /nfs/dbraw/zinc/99/57/90/553995790.db2.gz FUGFPFZJPPCPQQ-UHFFFAOYSA-N 0 0 537.480 3.649 50 30 KHEARN CNC(=O)c1c(C)nc(SCC(=O)OCc2cc(=O)n3c4ccccc4sc3n2)c(C#N)c1-c1ccco1 ZINC000097982573 554003664 /nfs/dbraw/zinc/00/36/64/554003664.db2.gz QFYXZTXNPQJFLP-UHFFFAOYSA-N 0 0 545.602 3.939 50 30 KHEARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3[C@@H](C#N)S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000097982690 554004686 /nfs/dbraw/zinc/00/46/86/554004686.db2.gz HJZFOYBJFBGOCU-AREMUKBSSA-N 0 0 561.689 3.796 50 30 KHEARN Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4nc3[C@H](C#N)S(=O)(=O)c3ccccc3)CC2)cc1C ZINC000097982691 554004658 /nfs/dbraw/zinc/00/46/58/554004658.db2.gz HJZFOYBJFBGOCU-SANMLTNESA-N 0 0 561.689 3.796 50 30 KHEARN NC(=S)NN=C1c2cc(S(=O)(=O)Nc3ccccc3)ccc2-c2ccc(S(=O)(=O)Nc3ccccc3)cc21 ZINC000097986531 554024909 /nfs/dbraw/zinc/02/49/09/554024909.db2.gz MMIHGYJQXUCTAC-UHFFFAOYSA-N 0 0 563.686 3.854 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(Cc2ccc(F)cc2Cl)c1=O ZINC000097999300 554041706 /nfs/dbraw/zinc/04/17/06/554041706.db2.gz GLSYLTIIZPXEDQ-UHFFFAOYSA-N 0 0 521.932 3.849 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2n(CC(=O)Nc2ccc(Br)cc2F)c1=O ZINC000097999306 554041909 /nfs/dbraw/zinc/04/19/09/554041909.db2.gz YKAMGRSFRJQRTK-UHFFFAOYSA-N 0 0 609.408 3.548 50 30 KHEARN COc1ccc(CNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000015 554047908 /nfs/dbraw/zinc/04/79/08/554047908.db2.gz OPESZMHDMOAQAE-DEOSSOPVSA-N 0 0 550.619 3.613 50 30 KHEARN COc1ccc(CNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000016 554047818 /nfs/dbraw/zinc/04/78/18/554047818.db2.gz OPESZMHDMOAQAE-XMMPIXPASA-N 0 0 550.619 3.613 50 30 KHEARN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000050 554048196 /nfs/dbraw/zinc/04/81/96/554048196.db2.gz JARJPXUIQLEDIZ-VWLOTQADSA-N 0 0 564.646 3.655 50 30 KHEARN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000098000051 554048041 /nfs/dbraw/zinc/04/80/41/554048041.db2.gz JARJPXUIQLEDIZ-RUZDIDTESA-N 0 0 564.646 3.655 50 30 KHEARN COc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000098000269 554049502 /nfs/dbraw/zinc/04/95/02/554049502.db2.gz BCNOPEKIQWHXQS-DEOSSOPVSA-N 0 0 594.672 3.664 50 30 KHEARN COc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CCN(Cc3ccc4c(c3)OCO4)CC2)cc1OC ZINC000098000270 554049521 /nfs/dbraw/zinc/04/95/21/554049521.db2.gz BCNOPEKIQWHXQS-XMMPIXPASA-N 0 0 594.672 3.664 50 30 KHEARN C=CCn1c(SCC2=C(C(=O)OCC)[C@@H](c3ccc4c(c3)OCO4)NC(=O)N2)nnc1-c1cccs1 ZINC000098006167 554060814 /nfs/dbraw/zinc/06/08/14/554060814.db2.gz DURADYKHKZRBSW-HXUWFJFHSA-N 0 0 525.612 3.885 50 30 KHEARN C=CCn1c(SCC2=C(C(=O)OCC)[C@H](c3ccc4c(c3)OCO4)NC(=O)N2)nnc1-c1cccs1 ZINC000098006168 554060843 /nfs/dbraw/zinc/06/08/43/554060843.db2.gz DURADYKHKZRBSW-FQEVSTJZSA-N 0 0 525.612 3.885 50 30 KHEARN Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCN2CCOCC2)C(=O)Nc2ccc(C#N)cc2)o1 ZINC000098017776 554110245 /nfs/dbraw/zinc/11/02/45/554110245.db2.gz JPUZOZFAWACJFY-UHFFFAOYSA-N 0 0 559.623 3.584 50 30 KHEARN COc1ccc(CCN(Cc2ccco2)C(=O)CN(CCN2CCOCC2)C(=O)Nc2cccc(C#N)c2)cc1OC ZINC000098019430 554112166 /nfs/dbraw/zinc/11/21/66/554112166.db2.gz VCLGDLNWYJEWGE-UHFFFAOYSA-N 0 0 575.666 3.606 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098042695 554121379 /nfs/dbraw/zinc/12/13/79/554121379.db2.gz AXSSGMLLUYBFPL-RUZDIDTESA-N 0 0 549.571 3.910 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3ccccc3)C3=C2C(=O)CC(C)(C)C3)cc1 ZINC000098042696 554121418 /nfs/dbraw/zinc/12/14/18/554121418.db2.gz AXSSGMLLUYBFPL-VWLOTQADSA-N 0 0 549.571 3.910 50 30 KHEARN CCOC(=O)[C@@](NC(=O)Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1)(OCC(F)(F)F)C(F)(F)F ZINC000098042934 554123245 /nfs/dbraw/zinc/12/32/45/554123245.db2.gz JKSCGKQXAXPSKX-DLBZAZTESA-N 0 0 558.350 3.522 50 30 KHEARN CCOC(=O)[C@](O)(c1ccc(NC(=O)N[C@@](OCC(F)(F)F)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F ZINC000098042935 554123170 /nfs/dbraw/zinc/12/31/70/554123170.db2.gz JKSCGKQXAXPSKX-IAGOWNOFSA-N 0 0 558.350 3.522 50 30 KHEARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)N[C@](OCC(F)(F)F)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F ZINC000098042936 554123099 /nfs/dbraw/zinc/12/30/99/554123099.db2.gz JKSCGKQXAXPSKX-IRXDYDNUSA-N 0 0 558.350 3.522 50 30 KHEARN CCOC(=O)[C@](O)(c1ccc(NC(=O)N[C@](OCC(F)(F)F)(C(=O)OCC)C(F)(F)F)cc1)C(F)(F)F ZINC000098042937 554123226 /nfs/dbraw/zinc/12/32/26/554123226.db2.gz JKSCGKQXAXPSKX-SJORKVTESA-N 0 0 558.350 3.522 50 30 KHEARN COc1ccc(CCN2C(=O)[C@@](NC(=O)c3cccnc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000098042975 554123604 /nfs/dbraw/zinc/12/36/04/554123604.db2.gz PQYBBZTVSUXQJB-AREMUKBSSA-N 0 0 531.531 3.858 50 30 KHEARN COc1ccc(CCN2C(=O)[C@](NC(=O)c3cccnc3)(C(F)(F)F)C3=C2CC(C)(C)CC3=O)cc1OC ZINC000098042976 554123444 /nfs/dbraw/zinc/12/34/44/554123444.db2.gz PQYBBZTVSUXQJB-SANMLTNESA-N 0 0 531.531 3.858 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000098047044 554146134 /nfs/dbraw/zinc/14/61/34/554146134.db2.gz QILSRHYTVWZNHW-HHHXNRCGSA-N 0 0 536.625 3.878 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000098047045 554146192 /nfs/dbraw/zinc/14/61/92/554146192.db2.gz QILSRHYTVWZNHW-MHZLTWQESA-N 0 0 536.625 3.878 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000098047164 554147335 /nfs/dbraw/zinc/14/73/35/554147335.db2.gz FIBBFSUSZVPXDG-HKBQPEDESA-N 0 0 547.652 3.687 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OCC)cc1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000098047165 554147398 /nfs/dbraw/zinc/14/73/98/554147398.db2.gz FIBBFSUSZVPXDG-WJOKGBTCSA-N 0 0 547.652 3.687 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047192 554147665 /nfs/dbraw/zinc/14/76/65/554147665.db2.gz ZCPWLVNDXQZGSS-SSEXGKCCSA-N 0 0 619.740 3.817 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 ZINC000098047193 554147672 /nfs/dbraw/zinc/14/76/72/554147672.db2.gz ZCPWLVNDXQZGSS-PMERELPUSA-N 0 0 619.740 3.817 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000098047213 554147984 /nfs/dbraw/zinc/14/79/84/554147984.db2.gz ALMNWPHGBHBRFH-XMMPIXPASA-N 0 0 557.625 3.774 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000098047214 554147957 /nfs/dbraw/zinc/14/79/57/554147957.db2.gz ALMNWPHGBHBRFH-DEOSSOPVSA-N 0 0 557.625 3.774 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098047215 554148005 /nfs/dbraw/zinc/14/80/05/554148005.db2.gz WXEWCIDFWDUQFC-XMMPIXPASA-N 0 0 557.625 3.774 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCCC3)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000098047216 554147927 /nfs/dbraw/zinc/14/79/27/554147927.db2.gz WXEWCIDFWDUQFC-DEOSSOPVSA-N 0 0 557.625 3.774 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)=C(O)C(=O)N2CCCOC)ccc1O ZINC000098047219 554147982 /nfs/dbraw/zinc/14/79/82/554147982.db2.gz WGGNHQNZSFAMDJ-AREMUKBSSA-N 0 0 572.680 3.970 50 30 KHEARN CCOc1cc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)=C(O)C(=O)N2CCCOC)ccc1O ZINC000098047220 554148006 /nfs/dbraw/zinc/14/80/06/554148006.db2.gz WGGNHQNZSFAMDJ-SANMLTNESA-N 0 0 572.680 3.970 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000098047249 554148288 /nfs/dbraw/zinc/14/82/88/554148288.db2.gz YPOGPGITBGYWPI-PMERELPUSA-N 0 0 535.616 3.736 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)c(F)c1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000098047250 554148313 /nfs/dbraw/zinc/14/83/13/554148313.db2.gz YPOGPGITBGYWPI-SSEXGKCCSA-N 0 0 535.616 3.736 50 30 KHEARN CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000098047931 554157618 /nfs/dbraw/zinc/15/76/18/554157618.db2.gz XETLBMSOOBUTGI-AREMUKBSSA-N 0 0 569.724 3.535 50 30 KHEARN CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1 ZINC000098047932 554157670 /nfs/dbraw/zinc/15/76/70/554157670.db2.gz XETLBMSOOBUTGI-SANMLTNESA-N 0 0 569.724 3.535 50 30 KHEARN CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000098047935 554157635 /nfs/dbraw/zinc/15/76/35/554157635.db2.gz NILMKXDONFBHKK-SSEXGKCCSA-N 0 0 619.740 3.817 50 30 KHEARN CN(C)S(=O)(=O)c1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCc3ccccc3)cc2)c1 ZINC000098047936 554157703 /nfs/dbraw/zinc/15/77/03/554157703.db2.gz NILMKXDONFBHKK-PMERELPUSA-N 0 0 619.740 3.817 50 30 KHEARN CCCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000098047969 554158090 /nfs/dbraw/zinc/15/80/90/554158090.db2.gz QHCNDONKBGWJRX-HKBQPEDESA-N 0 0 547.652 3.605 50 30 KHEARN CCCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(OC)c(C)c1)=C(O)C(=O)N2CCCN1CCOCC1 ZINC000098047970 554158174 /nfs/dbraw/zinc/15/81/74/554158174.db2.gz QHCNDONKBGWJRX-WJOKGBTCSA-N 0 0 547.652 3.605 50 30 KHEARN COc1ccc(C(=O)Cc2nc3ccc(C(=O)NCCN4CCN(c5ccccc5F)CC4)cc3[nH]c2=O)cc1 ZINC000098176442 554176799 /nfs/dbraw/zinc/17/67/99/554176799.db2.gz PKZGRULQWBETTD-XHPQRKPJSA-N 0 0 543.599 3.517 50 30 KHEARN COc1ccc([N+](=O)[O-])cc1CN=Nc1nc(Nc2cccc(Br)c2)nc(N2CCOCC2)n1 ZINC000100028370 554184226 /nfs/dbraw/zinc/18/42/26/554184226.db2.gz YDDOTWMHYBPQFN-QRVIBDJDSA-N 0 0 529.355 3.577 50 30 KHEARN COc1c(CN=Nc2nc(Nc3cccc(Br)c3)nc(N3CCOCC3)n2)cccc1[N+](=O)[O-] ZINC000100028371 554184221 /nfs/dbraw/zinc/18/42/21/554184221.db2.gz KEZLYWNFHHZAOY-QRVIBDJDSA-N 0 0 529.355 3.577 50 30 KHEARN CCCC[C@@H](C)C=C(C)C=C(C)C(=O)NC1=C[C@@](O)(/C=C/C=CC=CC(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O ZINC000100031259 554185683 /nfs/dbraw/zinc/18/56/83/554185683.db2.gz TWWQHCKLTXDWBD-MVTGTTCWSA-N 0 0 550.652 3.704 50 30 in-vivo KHEARN C=CCOc1c(I)cc(C=C2SC(=S)NC2=O)cc1I ZINC000100068802 554200582 /nfs/dbraw/zinc/20/05/82/554200582.db2.gz TXBNKEYDLCKYOO-UXBLZVDNSA-N 0 0 529.162 3.949 50 30 KHEARN CCN=C(Nc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccc(I)cc2)C1=O ZINC000100077842 554205228 /nfs/dbraw/zinc/20/52/28/554205228.db2.gz GXOZSZYEQXGUGH-KRWDZBQOSA-N 0 0 523.352 3.682 50 30 KHEARN C=CCn1c(=O)/c(=C2/Sc3ccc(OC)cc3N2C)s/c1=C1\SC(=S)N(c2ccccc2)C1=O ZINC000100087882 554209728 /nfs/dbraw/zinc/20/97/28/554209728.db2.gz DYTOQXCDFMGDTP-RSFSRFMPSA-N 0 0 525.702 3.585 50 30 KHEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@H](O)COC[C@H](O)CO ZINC000100121150 554224380 /nfs/dbraw/zinc/22/43/80/554224380.db2.gz JHSNLCCMZMGXLK-TWJOJJKGSA-N 0 0 506.721 3.899 50 30 KHEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC[C@H](O)COC[C@H](O)CO ZINC000100121156 554224402 /nfs/dbraw/zinc/22/44/02/554224402.db2.gz JHSNLCCMZMGXLK-CYXNTTPDSA-N 0 0 506.721 3.899 50 30 KHEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@@H](O)COC[C@H](O)CO ZINC000100121160 554224409 /nfs/dbraw/zinc/22/44/09/554224409.db2.gz JHSNLCCMZMGXLK-UODIDJSMSA-N 0 0 506.721 3.899 50 30 KHEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](O)COC[C@@H](O)COC[C@H](O)CO ZINC000100121166 554224391 /nfs/dbraw/zinc/22/43/91/554224391.db2.gz JHSNLCCMZMGXLK-ZNZIZOMTSA-N 0 0 506.721 3.899 50 30 KHEARN O=S(=O)(/N=C1\SCCN1S(=O)(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 ZINC000100123055 554224711 /nfs/dbraw/zinc/22/47/11/554224711.db2.gz CYKZFEOMHFLXSX-SDXDJHTJSA-N 0 0 540.280 3.694 50 30 KHEARN Cn1c(N(Cc2cccc(Br)c2)/N=C/c2cccc3ccccc23)nc2c1c(=O)n(C)c(=O)n2C ZINC000100127853 554225107 /nfs/dbraw/zinc/22/51/07/554225107.db2.gz XIKGIFOFNNEBSP-RWPZCVJISA-N 0 0 531.414 3.927 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100155819 554232617 /nfs/dbraw/zinc/23/26/17/554232617.db2.gz PNRZUYMQKYVLTE-OEMFJLHTSA-N 0 0 527.552 3.968 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccnc1 ZINC000100156028 554232896 /nfs/dbraw/zinc/23/28/96/554232896.db2.gz JACWXJLIHJVKQL-ZKMPZPQNSA-N 0 0 557.578 3.976 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccnc1 ZINC000100156031 554232813 /nfs/dbraw/zinc/23/28/13/554232813.db2.gz JACWXJLIHJVKQL-PZUNEJSGSA-N 0 0 557.578 3.976 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@H]1c1cccnc1 ZINC000100156036 554232892 /nfs/dbraw/zinc/23/28/92/554232892.db2.gz JACWXJLIHJVKQL-ICDZXHCJSA-N 0 0 557.578 3.976 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccnc1 ZINC000100156040 554232825 /nfs/dbraw/zinc/23/28/25/554232825.db2.gz JACWXJLIHJVKQL-QLBJFCOMSA-N 0 0 557.578 3.976 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccnc1 ZINC000100158245 554233463 /nfs/dbraw/zinc/23/34/63/554233463.db2.gz IOBVHZGLYFJMRI-ZKMPZPQNSA-N 0 0 539.588 3.837 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1cccnc1 ZINC000100158247 554233445 /nfs/dbraw/zinc/23/34/45/554233445.db2.gz IOBVHZGLYFJMRI-PZUNEJSGSA-N 0 0 539.588 3.837 50 30 KHEARN COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1cccnc1 ZINC000100158250 554233531 /nfs/dbraw/zinc/23/35/31/554233531.db2.gz IOBVHZGLYFJMRI-QLBJFCOMSA-N 0 0 539.588 3.837 50 30 KHEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@@H]1c1cccnc1 ZINC000100162429 554235206 /nfs/dbraw/zinc/23/52/06/554235206.db2.gz PBJHFGIUVIGZED-OEMFJLHTSA-N 0 0 527.552 3.968 50 30 KHEARN COCc1cc(C)nc(N=NCc2cc(I)cc(I)c2O)c1C#N ZINC000100176752 554240840 /nfs/dbraw/zinc/24/08/40/554240840.db2.gz NXLSRXQXEGCPTK-IFRROFPPSA-N 0 0 548.122 3.769 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)o4)c(=O)n32)cc1 ZINC000100222761 554252094 /nfs/dbraw/zinc/25/20/94/554252094.db2.gz ZEBAHFWTDHSYJB-ARYJOXFRSA-N 0 0 533.650 3.946 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCCCC5)o4)c(=O)n32)cc1 ZINC000100222766 554252088 /nfs/dbraw/zinc/25/20/88/554252088.db2.gz ZEBAHFWTDHSYJB-JNWJWRTLSA-N 0 0 533.650 3.946 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)c(OCC)c4)c(=O)n32)cc1 ZINC000100224073 554252454 /nfs/dbraw/zinc/25/24/54/554252454.db2.gz WDSODUKVOIEHSL-FCYPAOMHSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)c(OCC)c4)c(=O)n32)cc1 ZINC000100224079 554252400 /nfs/dbraw/zinc/25/24/00/554252400.db2.gz WDSODUKVOIEHSL-KDSDTBODSA-N 0 0 534.634 3.770 50 30 KHEARN CCCCCCCc1ccc(-c2cn3c4c(nc3n2-c2ccc(S(N)(=O)=O)cc2)n(C)c(=O)n(C)c4=O)cc1 ZINC000100225049 554252610 /nfs/dbraw/zinc/25/26/10/554252610.db2.gz HSCCQCLAKMCNOG-UHFFFAOYSA-N 0 0 548.669 3.503 50 30 KHEARN C=CCN1C(=O)[C@@]2(SC1=S)[C@H](c1cc(OC)c(OC)c(OC)c1)CN(C)[C@@]21c2cc(OCC)ccc2N(C)C1=O ZINC000100230767 554256774 /nfs/dbraw/zinc/25/67/74/554256774.db2.gz LBCRDIKURWARII-MXXBPKCLSA-N 0 0 583.732 3.797 50 30 KHEARN CCOc1cc(/C=C2/S/C(=N/c3ccc(C(=O)OC)cc3)N(CC)C2=O)cc(I)c1OCC(N)=O ZINC000100233397 554257838 /nfs/dbraw/zinc/25/78/38/554257838.db2.gz ZEABZBWEOIQYDV-VDFJHQJRSA-N 0 0 609.442 3.965 50 30 KHEARN CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(Cl)cc1 ZINC000100239214 554260019 /nfs/dbraw/zinc/26/00/19/554260019.db2.gz MIHCMAMFVWXUQI-VLJWVXAPSA-N 0 0 551.061 3.580 50 30 KHEARN CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(Cl)cc1 ZINC000100239219 554260061 /nfs/dbraw/zinc/26/00/61/554260061.db2.gz MIHCMAMFVWXUQI-IYJAXOPISA-N 0 0 551.061 3.580 50 30 KHEARN O=C(N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1 ZINC000100239559 554260054 /nfs/dbraw/zinc/26/00/54/554260054.db2.gz YFQGJQWXLNZGIA-DEOSSOPVSA-N 0 0 502.523 3.710 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100255030 554263777 /nfs/dbraw/zinc/26/37/77/554263777.db2.gz CREBSDVRLFLSSE-XMMPIXPASA-N 0 0 537.569 3.595 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1OC ZINC000100255037 554263737 /nfs/dbraw/zinc/26/37/37/554263737.db2.gz CREBSDVRLFLSSE-DEOSSOPVSA-N 0 0 537.569 3.595 50 30 KHEARN COc1c2c(cc([C@@H]3C(C(=O)c4ccc5c(c4)OCO5)=C(O)C(=O)N3Cc3ccc4c(c3)OCO4)c1OC)OCO2 ZINC000100255290 554264126 /nfs/dbraw/zinc/26/41/26/554264126.db2.gz MWPPNSYUFHZKFN-HSZRJFAPSA-N 0 0 561.499 3.668 50 30 KHEARN COc1c2c(cc([C@H]3C(C(=O)c4ccc5c(c4)OCO5)=C(O)C(=O)N3Cc3ccc4c(c3)OCO4)c1OC)OCO2 ZINC000100255291 554264081 /nfs/dbraw/zinc/26/40/81/554264081.db2.gz MWPPNSYUFHZKFN-QHCPKHFHSA-N 0 0 561.499 3.668 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)c(OC)c2c1OCO2 ZINC000100255306 554264064 /nfs/dbraw/zinc/26/40/64/554264064.db2.gz MHZPUKZUPWWMQK-HSZRJFAPSA-N 0 0 561.499 3.668 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)c(OC)c2c1OCO2 ZINC000100255310 554264127 /nfs/dbraw/zinc/26/41/27/554264127.db2.gz MHZPUKZUPWWMQK-QHCPKHFHSA-N 0 0 561.499 3.668 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255323 554264102 /nfs/dbraw/zinc/26/41/02/554264102.db2.gz JFTYVTHACWVYOX-XMMPIXPASA-N 0 0 531.473 3.660 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255326 554264034 /nfs/dbraw/zinc/26/40/34/554264034.db2.gz JFTYVTHACWVYOX-DEOSSOPVSA-N 0 0 531.473 3.660 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255365 554264113 /nfs/dbraw/zinc/26/41/13/554264113.db2.gz KNZPEPMMZFKWEN-RUZDIDTESA-N 0 0 547.516 3.948 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255371 554264058 /nfs/dbraw/zinc/26/40/58/554264058.db2.gz KNZPEPMMZFKWEN-VWLOTQADSA-N 0 0 547.516 3.948 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)c(OC)c2c1OCO2 ZINC000100255748 554264132 /nfs/dbraw/zinc/26/41/32/554264132.db2.gz PTUCLTVMMZLCDE-XMMPIXPASA-N 0 0 575.526 3.711 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)c(OC)c2c1OCO2 ZINC000100255752 554264045 /nfs/dbraw/zinc/26/40/45/554264045.db2.gz PTUCLTVMMZLCDE-DEOSSOPVSA-N 0 0 575.526 3.711 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255783 554264301 /nfs/dbraw/zinc/26/43/01/554264301.db2.gz DJVXJUCJUUZLDN-RUZDIDTESA-N 0 0 545.500 3.702 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255787 554264409 /nfs/dbraw/zinc/26/44/09/554264409.db2.gz DJVXJUCJUUZLDN-VWLOTQADSA-N 0 0 545.500 3.702 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255800 554264358 /nfs/dbraw/zinc/26/43/58/554264358.db2.gz SWRHPUQGCCRWAW-RUZDIDTESA-N 0 0 547.516 3.948 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc2c1OCO2 ZINC000100255802 554264383 /nfs/dbraw/zinc/26/43/83/554264383.db2.gz SWRHPUQGCCRWAW-VWLOTQADSA-N 0 0 547.516 3.948 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255836 554264328 /nfs/dbraw/zinc/26/43/28/554264328.db2.gz PWIFSOHSABQBON-AREMUKBSSA-N 0 0 561.543 3.991 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccc3c(c2)OCO3)cc(OC)c1OC ZINC000100255839 554264332 /nfs/dbraw/zinc/26/43/32/554264332.db2.gz PWIFSOHSABQBON-SANMLTNESA-N 0 0 561.543 3.991 50 30 KHEARN Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(Cc3ccccc3Cl)c2c(=O)n(C)c1=O ZINC000100267698 554267965 /nfs/dbraw/zinc/26/79/65/554267965.db2.gz FTRBXVJQSLIVGG-BZKHCIHKSA-N 0 0 527.810 3.969 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)cc4)c(=O)n32)cc1OCC ZINC000100303510 554292224 /nfs/dbraw/zinc/29/22/24/554292224.db2.gz GLUUFDJNWTUURZ-GTWFGUSFSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(OC)cc4)c(=O)n32)cc1OCC ZINC000100303516 554292218 /nfs/dbraw/zinc/29/22/18/554292218.db2.gz GLUUFDJNWTUURZ-SJJVXOANSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)cc1OCC ZINC000100306383 554294855 /nfs/dbraw/zinc/29/48/55/554294855.db2.gz YCVZUJTXDMWTDG-KDSDTBODSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccccc4OC)c(=O)n32)cc1OCC ZINC000100306389 554294847 /nfs/dbraw/zinc/29/48/47/554294847.db2.gz YCVZUJTXDMWTDG-FCYPAOMHSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCCO5)c(=O)n32)cc1OCC ZINC000100307185 554295497 /nfs/dbraw/zinc/29/54/97/554295497.db2.gz FKCCWBZEWXPWFE-ZGOFBEGVSA-N 0 0 562.644 3.533 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc5c(c4)OCCO5)c(=O)n32)cc1OCC ZINC000100307192 554295572 /nfs/dbraw/zinc/29/55/72/554295572.db2.gz FKCCWBZEWXPWFE-BIWBSIMWSA-N 0 0 562.644 3.533 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OC)c4)c(=O)n32)cc1OCC ZINC000100307239 554295777 /nfs/dbraw/zinc/29/57/77/554295777.db2.gz FLVPRADAJAMNHK-GTWFGUSFSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cccc(OC)c4)c(=O)n32)cc1OCC ZINC000100307241 554295815 /nfs/dbraw/zinc/29/58/15/554295815.db2.gz FLVPRADAJAMNHK-SJJVXOANSA-N 0 0 534.634 3.770 50 30 KHEARN COc1cc(/C=N\c2ccc3c(c2)OCCOCCOCCOCCO3)cc(I)c1O ZINC000100325036 554309217 /nfs/dbraw/zinc/30/92/17/554309217.db2.gz NAVVPEASCMZNBF-IWIPYMOSSA-N 0 0 543.354 3.577 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@H](c2ccccn2)N1 ZINC000100326763 554310477 /nfs/dbraw/zinc/31/04/77/554310477.db2.gz FVOXFTHRAPWGQI-ZJOUEHCJSA-N 0 0 581.938 3.840 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@H](c2ccccn2)N1 ZINC000100326767 554310411 /nfs/dbraw/zinc/31/04/11/554310411.db2.gz FVOXFTHRAPWGQI-ZVDOUQERSA-N 0 0 581.938 3.840 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@H](c2ccccn2)N1 ZINC000100326769 554310393 /nfs/dbraw/zinc/31/03/93/554310393.db2.gz FVOXFTHRAPWGQI-DYXWJJEUSA-N 0 0 581.938 3.840 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@H](c2ccccn2)N1 ZINC000100326773 554310462 /nfs/dbraw/zinc/31/04/62/554310462.db2.gz FVOXFTHRAPWGQI-SBHAEUEKSA-N 0 0 581.938 3.840 50 30 KHEARN CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@@H](c3ccccn3)[C@H]2C1=O ZINC000100326816 554310438 /nfs/dbraw/zinc/31/04/38/554310438.db2.gz TUMAUVZWNBAIHN-NSHGMRRFSA-N 0 0 567.911 3.779 50 30 KHEARN CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@@H](c3ccccn3)[C@@H]2C1=O ZINC000100326819 554310365 /nfs/dbraw/zinc/31/03/65/554310365.db2.gz TUMAUVZWNBAIHN-GGPKGHCWSA-N 0 0 567.911 3.779 50 30 KHEARN C#CCOc1c(I)cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc1OC ZINC000100342953 554328285 /nfs/dbraw/zinc/32/82/85/554328285.db2.gz ZLTGOLWAUAEXPG-DJKKODMXSA-N 0 0 592.367 3.716 50 30 KHEARN Cc1ccc(C2CC(=O)C(=CNCCN3CCN(CC(=O)Nc4ccc(Cl)cc4C)CC3)C(=O)C2)cc1 ZINC000100424476 554386045 /nfs/dbraw/zinc/38/60/45/554386045.db2.gz RKPUYMLEOAKYDO-UHFFFAOYSA-N 0 0 523.077 3.702 50 30 KHEARN COc1ccc(C2CC(=O)C(=CNCCN3CCN(C(=O)Nc4ccc(Cl)cc4)CC3)C(=O)C2)cc1OC ZINC000100424863 554386339 /nfs/dbraw/zinc/38/63/39/554386339.db2.gz LTFQTZXERMTFSM-UHFFFAOYSA-N 0 0 541.048 3.696 50 30 KHEARN O=C(Nc1ccc(Cl)c(Cl)c1)N1CCN(CCNC=C2C(=O)CC(c3ccco3)CC2=O)CC1 ZINC000100428868 554390266 /nfs/dbraw/zinc/39/02/66/554390266.db2.gz QEJFUBGBOSRYRS-UHFFFAOYSA-N 0 0 505.402 3.925 50 30 KHEARN CC1(C)CC(=O)C=C(NCCN2CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)C1 ZINC000100430679 554390933 /nfs/dbraw/zinc/39/09/33/554390933.db2.gz WEWNZXOGABVOIJ-UHFFFAOYSA-N 0 0 523.077 3.990 50 30 KHEARN COC(=O)c1ccc(C(=O)OC)c(NC(=S)NC(N=Cc2ccccc2)=Nc2nc(C)cc(C)n2)c1 ZINC000100430702 554390904 /nfs/dbraw/zinc/39/09/04/554390904.db2.gz VTPLUWWHOMHYLC-VULFUBBASA-N 0 0 504.572 3.760 50 30 KHEARN Clc1ccc(COc2ccc(CN=Nc3nc(N4CCOCC4)nc(N4CCOCC4)n3)cc2)c(Cl)c1 ZINC000100443803 554393961 /nfs/dbraw/zinc/39/39/61/554393961.db2.gz ZRFLVWAUHMLWMM-LQKURTRISA-N 0 0 544.443 3.877 50 30 KHEARN CCOc1ccccc1N1CCN(C2=C(NS(=O)(=O)c3cccs3)C(=O)c3ccccc3C2=O)CC1 ZINC000100460145 554397589 /nfs/dbraw/zinc/39/75/89/554397589.db2.gz IWDXUFGXDULHDB-UHFFFAOYSA-N 0 0 523.636 3.538 50 30 KHEARN O=C(OCCN(/N=C/c1ccc([N+](=O)[O-])cc1)C1=NS(=O)(=O)c2ccccc21)c1ccc(Br)cc1 ZINC000100478931 554401549 /nfs/dbraw/zinc/40/15/49/554401549.db2.gz LHOVUXRIMZNXLV-MFKUBSTISA-N 0 0 557.382 3.999 50 30 KHEARN O=[N+]([O-])c1ccc(CN=Nc2nc(OCCC(F)(F)F)nc(N3CCN(Cc4ccccc4)CC3)n2)cc1 ZINC000100479194 554401530 /nfs/dbraw/zinc/40/15/30/554401530.db2.gz GPHDIIUBYXADKS-LQKURTRISA-N 0 0 530.511 3.879 50 30 KHEARN Cc1ccc(S(=O)(=O)OCCOc2ccc([N+](=O)[O-])cc2OCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100479918 554401716 /nfs/dbraw/zinc/40/17/16/554401716.db2.gz VJTIZBICLSAHJF-UHFFFAOYSA-N 0 0 551.595 3.780 50 30 KHEARN NC(=S)N/N=C/c1cc(I)cc(I)c1OCc1ccccc1 ZINC000100498688 554404901 /nfs/dbraw/zinc/40/49/01/554404901.db2.gz GWADKHKTAFTOKS-UFWORHAWSA-N 0 0 537.164 3.642 50 30 KHEARN COc1ccc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)c(OC)c1 ZINC000100506408 554407836 /nfs/dbraw/zinc/40/78/36/554407836.db2.gz HCOVXOCXBCJXIM-AFUMVMLFSA-N 0 0 528.411 3.986 50 30 KHEARN O=C(CCCCCNC(=O)c1ccc2c(c1)C1(OC2=O)c2ccc(O)cc2Oc2cc(O)ccc21)ON1C(=O)CCC1=O ZINC000100546280 554414021 /nfs/dbraw/zinc/41/40/21/554414021.db2.gz OEKZTXDDIMSZIG-UHFFFAOYSA-N 0 0 586.553 3.563 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000100610327 554432629 /nfs/dbraw/zinc/43/26/29/554432629.db2.gz AOAMIPJBPVZBRN-HOGKFDNTSA-N 0 0 524.371 3.929 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Br)c1)c1ccc2c(c1)OCCO2 ZINC000100610331 554432643 /nfs/dbraw/zinc/43/26/43/554432643.db2.gz AOAMIPJBPVZBRN-MOBKVPTQSA-N 0 0 524.371 3.929 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100618268 554433538 /nfs/dbraw/zinc/43/35/38/554433538.db2.gz CIUSXDVJWDTTOZ-FQWPPLDYSA-N 0 0 616.477 3.976 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000100618272 554433526 /nfs/dbraw/zinc/43/35/26/554433526.db2.gz CIUSXDVJWDTTOZ-RNHBDSLOSA-N 0 0 616.477 3.976 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000100618794 554433864 /nfs/dbraw/zinc/43/38/64/554433864.db2.gz FBVDHMOZAJZAAW-DKOMQPSQSA-N 0 0 583.460 3.854 50 30 KHEARN C=CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000100618795 554434054 /nfs/dbraw/zinc/43/40/54/554434054.db2.gz FBVDHMOZAJZAAW-IZBTWGKQSA-N 0 0 583.460 3.854 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc2c(c1)OCO2 ZINC000100618804 554434151 /nfs/dbraw/zinc/43/41/51/554434151.db2.gz XTHLMOLMRAVZDO-ONOZBBEISA-N 0 0 609.660 3.986 50 30 KHEARN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4ccccc4C#N)c(OC)c3)c(=O)n2[C@H]1c1ccc2c(c1)OCO2 ZINC000100618806 554434120 /nfs/dbraw/zinc/43/41/20/554434120.db2.gz XTHLMOLMRAVZDO-IIMDPYCFSA-N 0 0 609.660 3.986 50 30 KHEARN C=CCc1ccccc1OCCOc1c(Br)cc(C=C2C(=O)NC(=S)NC2=O)cc1OCC ZINC000100630138 554435465 /nfs/dbraw/zinc/43/54/65/554435465.db2.gz YBVBXLHZZGBDAD-UHFFFAOYSA-N 0 0 531.428 3.948 50 30 KHEARN CC1(C)CC(=O)C(=CNCCN2CCN(CC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)C(=O)C1 ZINC000100651517 554437321 /nfs/dbraw/zinc/43/73/21/554437321.db2.gz VGZALESQBPAIGI-UHFFFAOYSA-N 0 0 551.087 3.559 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)CN2C(=O)OC(C)(C)C)cc1 ZINC000100659213 554438238 /nfs/dbraw/zinc/43/82/38/554438238.db2.gz MCIYOWPKJANFDO-PMACEKPBSA-N 0 0 525.645 3.792 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@H]2C[C@H](OS(=O)(=O)c3ccc(C)cc3)CN2C(=O)OC(C)(C)C)cc1 ZINC000100659214 554438241 /nfs/dbraw/zinc/43/82/41/554438241.db2.gz MCIYOWPKJANFDO-UXHICEINSA-N 0 0 525.645 3.792 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@H]2C[C@@H](OS(=O)(=O)c3ccc(C)cc3)CN2C(=O)OC(C)(C)C)cc1 ZINC000100659216 554438221 /nfs/dbraw/zinc/43/82/21/554438221.db2.gz MCIYOWPKJANFDO-WOJBJXKFSA-N 0 0 525.645 3.792 50 30 KHEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000100661965 554439365 /nfs/dbraw/zinc/43/93/65/554439365.db2.gz GLAKHFYSVCXCBT-ZMIGGIFCSA-N 0 0 534.634 3.640 50 30 KHEARN C=CCc1cc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc(OCC)c1O ZINC000100661967 554439344 /nfs/dbraw/zinc/43/93/44/554439344.db2.gz GLAKHFYSVCXCBT-OWXSRONMSA-N 0 0 534.634 3.640 50 30 KHEARN Cc1cc(C)cc(NC(=O)CN2CCN(CCNC=C3C(=O)CC(c4ccc(Cl)cc4)CC3=O)CC2)c1 ZINC000100667561 554440508 /nfs/dbraw/zinc/44/05/08/554440508.db2.gz DDHTTWPXCFYWGI-UHFFFAOYSA-N 0 0 523.077 3.702 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000100669526 554440676 /nfs/dbraw/zinc/44/06/76/554440676.db2.gz QOBYGTAFKIFXMB-QTTRZTASSA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000100669527 554440690 /nfs/dbraw/zinc/44/06/90/554440690.db2.gz QOBYGTAFKIFXMB-QPJBPQEWSA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)cc1OCC ZINC000100669550 554440663 /nfs/dbraw/zinc/44/06/63/554440663.db2.gz YCVZUJTXDMWTDG-OGRZUZBBSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccccc4OC)c(=O)n32)cc1OCC ZINC000100669554 554440658 /nfs/dbraw/zinc/44/06/58/554440658.db2.gz YCVZUJTXDMWTDG-ASSGYOTOSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1OCC ZINC000100669558 554440686 /nfs/dbraw/zinc/44/06/86/554440686.db2.gz XIEWRVYXAZAMIB-ABBNRAPFSA-N 0 0 547.677 3.828 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(N(C)C)cc4)c(=O)n32)cc1OCC ZINC000100669561 554440648 /nfs/dbraw/zinc/44/06/48/554440648.db2.gz XIEWRVYXAZAMIB-CSJROMOCSA-N 0 0 547.677 3.828 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(OC)c4)c(=O)n32)cc1OCC ZINC000100669580 554440711 /nfs/dbraw/zinc/44/07/11/554440711.db2.gz FLVPRADAJAMNHK-OCEWKHMESA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cccc(OC)c4)c(=O)n32)cc1OCC ZINC000100669581 554440671 /nfs/dbraw/zinc/44/06/71/554440671.db2.gz FLVPRADAJAMNHK-MKWGYRPRSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1OCC ZINC000100669586 554440678 /nfs/dbraw/zinc/44/06/78/554440678.db2.gz BHVJEFDJTSETPH-DBXPASCUSA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4cc(OC)ccc4OC)c(=O)n32)cc1OCC ZINC000100669591 554440653 /nfs/dbraw/zinc/44/06/53/554440653.db2.gz BHVJEFDJTSETPH-CMISJSSVSA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100673116 554442171 /nfs/dbraw/zinc/44/21/71/554442171.db2.gz GDNZFHRRQXJYDP-HHHXNRCGSA-N 0 0 536.625 3.878 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000100673118 554442266 /nfs/dbraw/zinc/44/22/66/554442266.db2.gz GDNZFHRRQXJYDP-MHZLTWQESA-N 0 0 536.625 3.878 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1F ZINC000100673159 554442293 /nfs/dbraw/zinc/44/22/93/554442293.db2.gz JLDXZSMEHQELEM-JOCHJYFZSA-N 0 0 533.394 3.897 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1F ZINC000100673160 554442281 /nfs/dbraw/zinc/44/22/81/554442281.db2.gz JLDXZSMEHQELEM-QFIPXVFZSA-N 0 0 533.394 3.897 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1F ZINC000100673163 554442212 /nfs/dbraw/zinc/44/22/12/554442212.db2.gz JQGWQLNTFSCVAW-JOCHJYFZSA-N 0 0 533.394 3.897 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1F ZINC000100673165 554442311 /nfs/dbraw/zinc/44/23/11/554442311.db2.gz JQGWQLNTFSCVAW-QFIPXVFZSA-N 0 0 533.394 3.897 50 30 KHEARN Cc1ccc(C2CC(=O)C(=CNCCN3CCN(CC(=O)Nc4cccc(Cl)c4C)CC3)C(=O)C2)cc1 ZINC000100676677 554444030 /nfs/dbraw/zinc/44/40/30/554444030.db2.gz MRYGTCXYXWMUKK-UHFFFAOYSA-N 0 0 523.077 3.702 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000100678472 554445345 /nfs/dbraw/zinc/44/53/45/554445345.db2.gz FQMCJMCAVRVJHX-JOCHJYFZSA-N 0 0 579.419 3.612 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1F ZINC000100678475 554445338 /nfs/dbraw/zinc/44/53/38/554445338.db2.gz FQMCJMCAVRVJHX-QFIPXVFZSA-N 0 0 579.419 3.612 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100718596 554454885 /nfs/dbraw/zinc/45/48/85/554454885.db2.gz WVLNCYTWNJODLY-CSJROMOCSA-N 0 0 547.677 3.828 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100718598 554454879 /nfs/dbraw/zinc/45/48/79/554454879.db2.gz WVLNCYTWNJODLY-ABBNRAPFSA-N 0 0 547.677 3.828 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000100724041 554456263 /nfs/dbraw/zinc/45/62/63/554456263.db2.gz QHRBSIMVKQICJU-VZIOXZNFSA-N 0 0 528.989 3.774 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3c(F)cccc3Cl)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000100724042 554456222 /nfs/dbraw/zinc/45/62/22/554456222.db2.gz QHRBSIMVKQICJU-QCHPHUCNSA-N 0 0 528.989 3.774 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000100725287 554456634 /nfs/dbraw/zinc/45/66/34/554456634.db2.gz RRVWLVYLXLKQAV-FEYWKWKCSA-N 0 0 534.037 3.743 50 30 KHEARN C=CCN1c2ccccc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(Cl)cc2)C(C(=O)OC(C)C)=C(C)N=3)C1=O ZINC000100725290 554456715 /nfs/dbraw/zinc/45/67/15/554456715.db2.gz RRVWLVYLXLKQAV-UGUGFTGJSA-N 0 0 534.037 3.743 50 30 KHEARN N#Cc1ccc(Cn2cnc3c(I)cc(I)cc3c2=O)cc1 ZINC000100726456 554456906 /nfs/dbraw/zinc/45/69/06/554456906.db2.gz LOKXGMKLJXQCET-UHFFFAOYSA-N 0 0 513.076 3.526 50 30 KHEARN O=C1c2ccccc2/C(=N/S(=O)(=O)c2ccc(Br)cc2)C=C1NS(=O)(=O)c1ccccc1 ZINC000100738907 554462189 /nfs/dbraw/zinc/46/21/89/554462189.db2.gz WSBULSFVMONAHF-HIXSDJFHSA-N 0 0 531.409 3.686 50 30 KHEARN O=C(N(Cc1ccc(F)cc1)[C@@H]1CC(=O)N(c2nccs2)C1=O)C(F)(F)C(F)(F)C(F)(F)F ZINC000100740631 554462828 /nfs/dbraw/zinc/46/28/28/554462828.db2.gz BDTYLVCMLOWOHZ-LLVKDONJSA-N 0 0 501.355 3.776 50 30 KHEARN CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(CCNC=C4C(=O)CC(C)(C)CC4=O)CC3)C2=O)cc1 ZINC000100749507 554465959 /nfs/dbraw/zinc/46/59/59/554465959.db2.gz TWNDIIYUCPBMMI-CSWQPERPSA-N 0 0 552.716 3.540 50 30 KHEARN CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(CCNC=C4C(=O)CC(C)(C)CC4=O)CC3)C2=O)cc1 ZINC000100749511 554465980 /nfs/dbraw/zinc/46/59/80/554465980.db2.gz TWNDIIYUCPBMMI-YWLXHOSYSA-N 0 0 552.716 3.540 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100752373 554466251 /nfs/dbraw/zinc/46/62/51/554466251.db2.gz VVEVLHHZTDALNO-QFVBLGFASA-N 0 0 532.599 3.838 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100752374 554466702 /nfs/dbraw/zinc/46/67/02/554466702.db2.gz VVEVLHHZTDALNO-JDCXBEBJSA-N 0 0 532.599 3.838 50 30 KHEARN CCOc1ccccc1N1CCN(C2=C(NS(=O)(=O)c3ccc(C)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000100756474 554466950 /nfs/dbraw/zinc/46/69/50/554466950.db2.gz YPMIORKDETWKSW-UHFFFAOYSA-N 0 0 531.634 3.785 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccc(OC)cc3)CC2)SC1=S ZINC000100762470 554468322 /nfs/dbraw/zinc/46/83/22/554468322.db2.gz YQDRSSYROSGZTH-JWGURIENSA-N 0 0 533.679 3.725 50 30 KHEARN Cc1ccc(S(=O)(=O)/N=C(/CN2CCCCC2)N2CCN(S(=O)(=O)c3ccc(C)cc3)[C@@H]2C(C)C)cc1 ZINC000100770899 554471039 /nfs/dbraw/zinc/47/10/39/554471039.db2.gz VWOUBTLIPGOIOQ-IECPXTFPSA-N 0 0 546.759 3.865 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(OC(C)=O)cc1 ZINC000100777290 554472185 /nfs/dbraw/zinc/47/21/85/554472185.db2.gz HQYPRYXOHLTGSX-WHNPURCTSA-N 0 0 545.661 3.736 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1 ZINC000100777293 554472219 /nfs/dbraw/zinc/47/22/19/554472219.db2.gz HQYPRYXOHLTGSX-HPFVHPJRSA-N 0 0 545.661 3.736 50 30 KHEARN Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2C=NNc2cc(N(C)C)nc(N(C)C)n2)cc1 ZINC000100786471 554472712 /nfs/dbraw/zinc/47/27/12/554472712.db2.gz QSTSIVMRVIBSNC-ZVHZXABRSA-N 0 0 533.452 3.893 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100795547 554473544 /nfs/dbraw/zinc/47/35/44/554473544.db2.gz QXRACSWPSJGWRD-ZMIGGIFCSA-N 0 0 544.560 3.916 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3F)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100795548 554473927 /nfs/dbraw/zinc/47/39/27/554473927.db2.gz QXRACSWPSJGWRD-OWXSRONMSA-N 0 0 544.560 3.916 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100805507 554474880 /nfs/dbraw/zinc/47/48/80/554474880.db2.gz NQSJAHMELFEAGQ-OWXSRONMSA-N 0 0 571.567 3.685 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100805508 554474734 /nfs/dbraw/zinc/47/47/34/554474734.db2.gz NQSJAHMELFEAGQ-ZMIGGIFCSA-N 0 0 571.567 3.685 50 30 KHEARN Cn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100812430 554475214 /nfs/dbraw/zinc/47/52/14/554475214.db2.gz IKESDVOEUGDXKE-DAFNUICNSA-N 0 0 532.445 3.561 50 30 KHEARN CCOc1cccc2s/c(=N\C(=O)c3ccc(S(=O)(=O)N(CCC#N)CCC#N)cc3)n(CC)c21 ZINC000100820368 554479736 /nfs/dbraw/zinc/47/97/36/554479736.db2.gz HBISUIBHQSLKQQ-PNHLSOANSA-N 0 0 511.629 3.681 50 30 KHEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc(-c4ccccc4OC(C)=O)nn3c2=O)C1=O ZINC000100822032 554481264 /nfs/dbraw/zinc/48/12/64/554481264.db2.gz KFUNFYMHVGQJGV-FCQUAONHSA-N 0 0 502.596 3.978 50 30 KHEARN C=CCN1c2ccc(Br)cc2/C(=c2/sc3nc(-c4ccc(OCCC)cc4)nn3c2=O)C1=O ZINC000100829503 554482283 /nfs/dbraw/zinc/48/22/83/554482283.db2.gz PNKPDLQYBRUDBX-VXPUYCOJSA-N 0 0 523.412 3.820 50 30 KHEARN COc1ccc([C@@H]2N(/C(C)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000100834922 554483411 /nfs/dbraw/zinc/48/34/11/554483411.db2.gz BMILNYSJTHEQHK-NXQYYGPPSA-N 0 0 513.641 3.816 50 30 KHEARN COc1ccc([C@H]2N(/C(C)=N/S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccccc2)cc1 ZINC000100834926 554483416 /nfs/dbraw/zinc/48/34/16/554483416.db2.gz BMILNYSJTHEQHK-LTWSARMESA-N 0 0 513.641 3.816 50 30 KHEARN C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)[C@@H]1c1ccc(N(C)C)cc1 ZINC000100834954 554483425 /nfs/dbraw/zinc/48/34/25/554483425.db2.gz OSADPTRBWCANDT-IVLOEBTASA-N 0 0 526.684 3.873 50 30 KHEARN C/C(=N\S(=O)(=O)c1ccc(C)cc1)N1CCN(S(=O)(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1 ZINC000100834959 554483419 /nfs/dbraw/zinc/48/34/19/554483419.db2.gz OSADPTRBWCANDT-NBRNZJABSA-N 0 0 526.684 3.873 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000100837493 554484378 /nfs/dbraw/zinc/48/43/78/554484378.db2.gz UWUMMSQABAMXJU-QTTRZTASSA-N 0 0 586.622 3.794 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000100838282 554485466 /nfs/dbraw/zinc/48/54/66/554485466.db2.gz PECUECGAANDKOR-FGGAIWKESA-N 0 0 525.424 3.736 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000100838284 554485471 /nfs/dbraw/zinc/48/54/71/554485471.db2.gz PECUECGAANDKOR-VOSMRYOYSA-N 0 0 525.424 3.736 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000100839312 554487258 /nfs/dbraw/zinc/48/72/58/554487258.db2.gz KSJZKQLCHHOELC-MKWGYRPRSA-N 0 0 534.634 3.769 50 30 KHEARN C=CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OC(C)C)=C(C)N=3)cc1OC ZINC000100839314 554487215 /nfs/dbraw/zinc/48/72/15/554487215.db2.gz KSJZKQLCHHOELC-OCEWKHMESA-N 0 0 534.634 3.769 50 30 KHEARN O=C1c2ccccc2C(=O)C(N2CCN(c3cccc(Cl)c3)CC2)=C1NS(=O)(=O)c1cccs1 ZINC000100855442 554493514 /nfs/dbraw/zinc/49/35/14/554493514.db2.gz HQNIQZQMKGFDMV-UHFFFAOYSA-N 0 0 514.028 3.793 50 30 KHEARN C=CCN1C(=O)/C(=C/c2c(=O)n3cc(C)ccc3nc2N2CCN(c3ccccc3OC)CC2)SC1=S ZINC000100860914 554495183 /nfs/dbraw/zinc/49/51/83/554495183.db2.gz DUEBAYLCBKXKLA-JWGURIENSA-N 0 0 533.679 3.725 50 30 KHEARN CCCCCCCN1c2ccccc2/C(=c2/sc3nc(=O)c(Cc4ccccc4Cl)nn3c2=O)C1=O ZINC000100871220 554498376 /nfs/dbraw/zinc/49/83/76/554498376.db2.gz UWQZXDDZTFOZGE-FCQUAONHSA-N 0 0 521.042 3.990 50 30 KHEARN COCCn1c2ccc(Cl)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100872494 554501297 /nfs/dbraw/zinc/50/12/97/554501297.db2.gz NDBNSLBEFSVKGM-VYIQYICTSA-N 0 0 532.047 3.562 50 30 KHEARN COCCn1c2ccc(Br)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100872530 554501293 /nfs/dbraw/zinc/50/12/93/554501293.db2.gz RPAHXOKQKLNJHB-VYIQYICTSA-N 0 0 576.498 3.671 50 30 KHEARN CCOCCn1c2ccc(C)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100873266 554502255 /nfs/dbraw/zinc/50/22/55/554502255.db2.gz IRMNPPMRLGWCFZ-FVDSYPCUSA-N 0 0 525.656 3.607 50 30 KHEARN CCOCCn1c2ccc(OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100873708 554502850 /nfs/dbraw/zinc/50/28/50/554502850.db2.gz HWQPUSDYNCLSRB-WCTVFOPTSA-N 0 0 555.682 3.697 50 30 KHEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000100874098 554502815 /nfs/dbraw/zinc/50/28/15/554502815.db2.gz WQFKRKJIVCYHFW-QPLCGJKRSA-N 0 0 513.641 3.981 50 30 KHEARN C=CCn1c2ccc(C(=O)OCC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100874110 554502730 /nfs/dbraw/zinc/50/27/30/554502730.db2.gz MNKCSFZONNBSBS-WCTVFOPTSA-N 0 0 551.650 3.625 50 30 KHEARN C=CCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000100874500 554503111 /nfs/dbraw/zinc/50/31/11/554503111.db2.gz BZIMIMSZUUZOLY-IZHYLOQSSA-N 0 0 533.697 3.598 50 30 KHEARN C=CCn1c2ccc(S(C)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100874560 554503213 /nfs/dbraw/zinc/50/32/13/554503213.db2.gz MZKABWIHZPZGLB-RQZHXJHFSA-N 0 0 555.703 3.854 50 30 KHEARN C=CCn1c2ccc(S(N)(=O)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 ZINC000100874713 554503076 /nfs/dbraw/zinc/50/30/76/554503076.db2.gz XMZGQSJIKDFEBH-RFBIWTDZSA-N 0 0 564.755 3.580 50 30 KHEARN C#CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2CC)cc1 ZINC000100875862 554503830 /nfs/dbraw/zinc/50/38/30/554503830.db2.gz HEIMQLZYQYYTCF-XTXFTEQFSA-N 0 0 524.668 3.989 50 30 KHEARN C#CCn1c2ccc(NC(C)=O)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2CC)cc1 ZINC000100875865 554503783 /nfs/dbraw/zinc/50/37/83/554503783.db2.gz HEIMQLZYQYYTCF-MZWSHWQKSA-N 0 0 524.668 3.989 50 30 KHEARN C#CCn1c2ccc(OC)cc2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1 ZINC000100875908 554503863 /nfs/dbraw/zinc/50/38/63/554503863.db2.gz GOIOJJVYKURMSW-RQZHXJHFSA-N 0 0 505.621 3.906 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1)S(=O)(=O)c1ccc(C)cc1 ZINC000100890432 554511569 /nfs/dbraw/zinc/51/15/69/554511569.db2.gz CEAQQLPXCTUYGQ-UHFFFAOYSA-N 0 0 550.656 3.912 50 30 KHEARN COc1ccc(C(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000100901377 554514671 /nfs/dbraw/zinc/51/46/71/554514671.db2.gz ZJRJNWQPEBSRPU-AUXCEZOOSA-N 0 0 500.520 3.638 50 30 KHEARN COc1ccc(C(=O)/N=C2\S[C@H]3CS(=O)(=O)C[C@@H]3N2c2cccc(C(F)(F)F)c2)cc1OC ZINC000100901379 554514623 /nfs/dbraw/zinc/51/46/23/554514623.db2.gz ZJRJNWQPEBSRPU-QCYWLGGYSA-N 0 0 500.520 3.638 50 30 KHEARN COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@@H](C)O[C@@H](C)C3)SC2=S)cc1 ZINC000100902124 554514706 /nfs/dbraw/zinc/51/47/06/554514706.db2.gz UOGHUZCPAUWSFL-RABNJEPRSA-N 0 0 538.695 3.632 50 30 KHEARN COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@@H](C)O[C@H](C)C3)SC2=S)cc1 ZINC000100902126 554514669 /nfs/dbraw/zinc/51/46/69/554514669.db2.gz UOGHUZCPAUWSFL-YWCAOALCSA-N 0 0 538.695 3.632 50 30 KHEARN COc1ccc(CCN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3C[C@H](C)O[C@@H](C)C3)SC2=S)cc1 ZINC000100902128 554514730 /nfs/dbraw/zinc/51/47/30/554514730.db2.gz UOGHUZCPAUWSFL-USJMLKOBSA-N 0 0 538.695 3.632 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000100902158 554515032 /nfs/dbraw/zinc/51/50/32/554515032.db2.gz ALDFRBRJKGRUHM-HHHXNRCGSA-N 0 0 578.643 3.725 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000100902159 554515027 /nfs/dbraw/zinc/51/50/27/554515027.db2.gz ALDFRBRJKGRUHM-MHZLTWQESA-N 0 0 578.643 3.725 50 30 KHEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100909681 554516737 /nfs/dbraw/zinc/51/67/37/554516737.db2.gz OFFMQDABLXAXPB-FVDSYPCUSA-N 0 0 523.640 3.847 50 30 KHEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000100909700 554516774 /nfs/dbraw/zinc/51/67/74/554516774.db2.gz ZKBMXJNLYICXJG-BVKCHYSWSA-N 0 0 515.657 3.827 50 30 KHEARN C=CCn1c2c(cccc2OCC)s/c1=N\C(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000100909703 554516761 /nfs/dbraw/zinc/51/67/61/554516761.db2.gz ZKBMXJNLYICXJG-SDORMZKBSA-N 0 0 515.657 3.827 50 30 KHEARN C#CCn1c2cc(C)cc(C)c2s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100910117 554517015 /nfs/dbraw/zinc/51/70/15/554517015.db2.gz ULSFILLBBUATGX-FVDSYPCUSA-N 0 0 505.625 3.512 50 30 KHEARN C#CCn1c2c(cccc2Cl)s/c1=N\C(=O)c1ccc(S(=O)(=O)N(CCC#N)CCC#N)cc1 ZINC000100910130 554517017 /nfs/dbraw/zinc/51/70/17/554517017.db2.gz MFEHOMROPNSTSC-VYIQYICTSA-N 0 0 512.016 3.549 50 30 KHEARN COc1cc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100934968 554529126 /nfs/dbraw/zinc/52/91/26/554529126.db2.gz FSIDBCAGRSOQRH-AREMUKBSSA-N 0 0 547.530 3.824 50 30 KHEARN COc1cc(C(=O)N[C@]2(C(F)(F)F)C(=O)N(Cc3cccnc3)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC ZINC000100934971 554529146 /nfs/dbraw/zinc/52/91/46/554529146.db2.gz FSIDBCAGRSOQRH-SANMLTNESA-N 0 0 547.530 3.824 50 30 KHEARN COc1ccccc1NC(=O)/C(C#N)=c1\s/c(=C\c2ccc(OC(C)C)c(OC)c2)c(=O)n1-c1ccccc1 ZINC000100964592 554542938 /nfs/dbraw/zinc/54/29/38/554542938.db2.gz VTKSDAXKZQJQOT-OAKVWFCFSA-N 0 0 541.629 3.845 50 30 KHEARN Oc1ccc(I)cc1CN=Nc1nc(Nc2cccc(Br)c2)nc(N2CCOCC2)n1 ZINC000100965472 554543302 /nfs/dbraw/zinc/54/33/02/554543302.db2.gz MFNRWLKIYVTIEU-FMCGGJTJSA-N 0 0 596.227 3.971 50 30 KHEARN N#C/C(C(=O)Nc1ccc(Cl)cc1)=c1/s/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 ZINC000100988655 554549252 /nfs/dbraw/zinc/54/92/52/554549252.db2.gz LGJPKAXSOLFKFQ-HVXMNXMMSA-N 0 0 502.939 3.602 50 30 KHEARN N#C/C(C(=O)Nc1cccc(Cl)c1)=c1/s/c(=C/c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1 ZINC000100988661 554549398 /nfs/dbraw/zinc/54/93/98/554549398.db2.gz DUXVBMDIXJMESV-FYCHNGQMSA-N 0 0 502.939 3.602 50 30 KHEARN COc1ccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccccc3C)n(-c3ccccc3C)c2=O)c(OC)c1OC ZINC000100988985 554549345 /nfs/dbraw/zinc/54/93/45/554549345.db2.gz OUJIQHAOZNFPRM-HUXNUGHDSA-N 0 0 541.629 3.683 50 30 KHEARN COc1ccc(OC)c(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(C)c3)n(-c3ccc(C)cc3)c2=O)c1 ZINC000100988997 554549598 /nfs/dbraw/zinc/54/95/98/554549598.db2.gz UZKVTEYFUMDWEA-MJHDJXAISA-N 0 0 511.603 3.675 50 30 KHEARN N#C/C(C(=O)Nc1ccc(F)cc1)=c1/s/c(=C/c2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000100989054 554549651 /nfs/dbraw/zinc/54/96/51/554549651.db2.gz LUPHKYFJTBHGNO-HVXMNXMMSA-N 0 0 520.383 3.942 50 30 KHEARN N#C/C(C(=O)NCc1ccccc1)=c1/s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000100989144 554549618 /nfs/dbraw/zinc/54/96/18/554549618.db2.gz XEWQVDNADJYDNJ-RDXJAXKBSA-N 0 0 548.580 3.887 50 30 KHEARN N#C/C(C(=O)NCCc1ccccc1)=c1/s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000100989174 554549632 /nfs/dbraw/zinc/54/96/32/554549632.db2.gz XLHPHNJSDVBKPQ-DDEWRVAOSA-N 0 0 562.607 3.929 50 30 KHEARN CCCOc1ccc(/C=c2\s/c(=C(/C#N)C(=O)Nc3ccccc3OC)n(-c3ccccc3)c2=O)cc1OC ZINC000100996893 554551238 /nfs/dbraw/zinc/55/12/38/554551238.db2.gz XMGLRNBOICVERG-IOCRJIHASA-N 0 0 541.629 3.847 50 30 KHEARN COc1cc(OC)c(OC)cc1/C=c1\s/c(=C(/C#N)C(=O)Nc2cccc(C)c2)n(-c2ccccc2C)c1=O ZINC000101033500 554565323 /nfs/dbraw/zinc/56/53/23/554565323.db2.gz FSSVEUWYIMVDNQ-GVDNQOKYSA-N 0 0 541.629 3.683 50 30 KHEARN COc1ccc2[nH]cc(CCNC(=Nc3nc(C)cc(C)n3)NS(=O)(=O)c3ccc(NC(C)=O)cc3)c2c1 ZINC000101044228 554568139 /nfs/dbraw/zinc/56/81/39/554568139.db2.gz XHHCPZQNROPWHU-UHFFFAOYSA-N 0 0 535.630 3.531 50 30 KHEARN COc1cc(OC)c(OC)cc1/C=c1/s/c(=C(/C#N)C(=O)Nc2ccccc2C)n(-c2ccccc2C)c1=O ZINC000101048325 554568498 /nfs/dbraw/zinc/56/84/98/554568498.db2.gz SLZCLDZZLDRONB-DSPHKCGCSA-N 0 0 541.629 3.683 50 30 KHEARN COc1cc(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(C)c3)n(-c3ccc(C)cc3)c2=O)cc(OC)c1OC ZINC000101056845 554569807 /nfs/dbraw/zinc/56/98/07/554569807.db2.gz ZPZCMWQWUFNNDG-GTCPUJENSA-N 0 0 541.629 3.683 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000101062514 554570641 /nfs/dbraw/zinc/57/06/41/554570641.db2.gz JDHQHZYNDDVCMD-YDJIHCHBSA-N 0 0 505.796 3.856 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccccc1Cl)c1ccc(Br)cc1 ZINC000101062516 554570672 /nfs/dbraw/zinc/57/06/72/554570672.db2.gz JDHQHZYNDDVCMD-NHFXJNLRSA-N 0 0 505.796 3.856 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000101062641 554570693 /nfs/dbraw/zinc/57/06/93/554570693.db2.gz LQUDBKJDSNAXGQ-JBCNATCCSA-N 0 0 530.375 3.501 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 ZINC000101062643 554570623 /nfs/dbraw/zinc/57/06/23/554570623.db2.gz LQUDBKJDSNAXGQ-MRJHHRETSA-N 0 0 530.375 3.501 50 30 KHEARN COc1cccc(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(C)c3)n(-c3ccc(C)cc3)c2=O)c1OC ZINC000101063312 554570985 /nfs/dbraw/zinc/57/09/85/554570985.db2.gz WAFZGFLSVYYJSJ-PWDHXOTMSA-N 0 0 511.603 3.675 50 30 KHEARN COc1cc(/C=c2/s/c(=C(/C#N)C(=O)Nc3cccc(C)c3)n(-c3ccccc3C)c2=O)cc(OC)c1OC ZINC000101071744 554575911 /nfs/dbraw/zinc/57/59/11/554575911.db2.gz KVICRHVQVUSMSD-JMFVDUIRSA-N 0 0 541.629 3.683 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000101072270 554575941 /nfs/dbraw/zinc/57/59/41/554575941.db2.gz WCZNMQGBJBITSA-BUANBSPESA-N 0 0 539.430 3.549 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000101072271 554575884 /nfs/dbraw/zinc/57/58/84/554575884.db2.gz WCZNMQGBJBITSA-COUQNMRISA-N 0 0 539.430 3.549 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)s1 ZINC000101072298 554575948 /nfs/dbraw/zinc/57/59/48/554575948.db2.gz QRAPANYVBDVWQY-WOOAAIBNSA-N 0 0 520.449 3.666 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)s1 ZINC000101072299 554575934 /nfs/dbraw/zinc/57/59/34/554575934.db2.gz QRAPANYVBDVWQY-LFVOPCPISA-N 0 0 520.449 3.666 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101072303 554576197 /nfs/dbraw/zinc/57/61/97/554576197.db2.gz PKHYRPKXPQEACI-HOGKFDNTSA-N 0 0 524.371 3.929 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)[C@H]1c1ccc(Br)cc1)c1ccc2c(c1)OCCO2 ZINC000101072305 554576246 /nfs/dbraw/zinc/57/62/46/554576246.db2.gz PKHYRPKXPQEACI-MOBKVPTQSA-N 0 0 524.371 3.929 50 30 KHEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(Br)cc1 ZINC000101072374 554576212 /nfs/dbraw/zinc/57/62/12/554576212.db2.gz WWIQZPLDKZNLBG-MOBKVPTQSA-N 0 0 511.372 3.949 50 30 KHEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(Br)cc1 ZINC000101072375 554576253 /nfs/dbraw/zinc/57/62/53/554576253.db2.gz WWIQZPLDKZNLBG-HOGKFDNTSA-N 0 0 511.372 3.949 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000101072376 554576164 /nfs/dbraw/zinc/57/61/64/554576164.db2.gz QDFFDZQDAVNJQG-NXLSWJSLSA-N 0 0 551.441 3.697 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cnn1-c1ccccc1 ZINC000101072378 554576190 /nfs/dbraw/zinc/57/61/90/554576190.db2.gz QDFFDZQDAVNJQG-SBXHHDGASA-N 0 0 551.441 3.697 50 30 KHEARN O=C1c2ccccc2C(=O)C(N2CCN(Cc3ccc4c(c3)OCO4)CC2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000101082080 554579187 /nfs/dbraw/zinc/57/91/87/554579187.db2.gz QVXWVTQJFLZBNS-UHFFFAOYSA-N 0 0 610.486 3.565 50 30 KHEARN O=C1c2ccccc2C(=O)C(N2CCN(Cc3ccccc3)CC2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000101082081 554579228 /nfs/dbraw/zinc/57/92/28/554579228.db2.gz AAFMPHWHUFNPNC-UHFFFAOYSA-N 0 0 566.477 3.836 50 30 KHEARN COc1cc(OC)c(OC)cc1/C=c1\s/c(=C(/C#N)C(=O)Nc2ccc(C)cc2)n(-c2ccc(C)cc2)c1=O ZINC000101084229 554580191 /nfs/dbraw/zinc/58/01/91/554580191.db2.gz CSZLOTFKLLFIAD-LHMKUVJPSA-N 0 0 541.629 3.683 50 30 KHEARN COc1cc(OC)c(OC)cc1/C=c1/s/c(=C(/C#N)C(=O)Nc2cccc(C)c2)n(-c2ccc(C)cc2)c1=O ZINC000101088301 554581200 /nfs/dbraw/zinc/58/12/00/554581200.db2.gz LLGMAMHLQUPXMO-CQWNDEMCSA-N 0 0 541.629 3.683 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000101101118 554587600 /nfs/dbraw/zinc/58/76/00/554587600.db2.gz MCVPULNYPMETKH-BUANBSPESA-N 0 0 539.430 3.549 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000101101120 554587702 /nfs/dbraw/zinc/58/77/02/554587702.db2.gz MCVPULNYPMETKH-COUQNMRISA-N 0 0 539.430 3.549 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)s1 ZINC000101101145 554588055 /nfs/dbraw/zinc/58/80/55/554588055.db2.gz OFTPLZQFMNRZCT-WOOAAIBNSA-N 0 0 520.449 3.666 50 30 KHEARN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)s1 ZINC000101101147 554588035 /nfs/dbraw/zinc/58/80/35/554588035.db2.gz OFTPLZQFMNRZCT-LFVOPCPISA-N 0 0 520.449 3.666 50 30 KHEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(Br)c1 ZINC000101101234 554588025 /nfs/dbraw/zinc/58/80/25/554588025.db2.gz YNBLEXPIAXTUJK-MOBKVPTQSA-N 0 0 511.372 3.949 50 30 KHEARN O=C(c1cc2ccccc2o1)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(Br)c1 ZINC000101101235 554588062 /nfs/dbraw/zinc/58/80/62/554588062.db2.gz YNBLEXPIAXTUJK-HOGKFDNTSA-N 0 0 511.372 3.949 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000101101240 554588021 /nfs/dbraw/zinc/58/80/21/554588021.db2.gz FNVCXZZSKBEWIP-NXLSWJSLSA-N 0 0 551.441 3.697 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cnn1-c1ccccc1 ZINC000101101241 554588059 /nfs/dbraw/zinc/58/80/59/554588059.db2.gz FNVCXZZSKBEWIP-SBXHHDGASA-N 0 0 551.441 3.697 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC=C)c(OC)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000101128204 554646229 /nfs/dbraw/zinc/64/62/29/554646229.db2.gz JGDFTPJPCVOAQW-OGRZUZBBSA-N 0 0 532.618 3.546 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC=C)c(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000101128207 554646307 /nfs/dbraw/zinc/64/63/07/554646307.db2.gz JGDFTPJPCVOAQW-ASSGYOTOSA-N 0 0 532.618 3.546 50 30 KHEARN C=CCN1C(=O)/C(=C\c2c(=O)n3cccc(C)c3nc2N2CCN(c3ccc(OC)cc3)CC2)SC1=S ZINC000101128763 554647117 /nfs/dbraw/zinc/64/71/17/554647117.db2.gz FAOUJYZUIMAFLS-OQKWZONESA-N 0 0 533.679 3.725 50 30 KHEARN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1 ZINC000101129387 554648183 /nfs/dbraw/zinc/64/81/83/554648183.db2.gz XRRGPQKCABAHQE-PIXWUVMMSA-N 0 0 576.671 3.933 50 30 KHEARN C=CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OC(C)=O)c(OC)c2)C(C(=O)OCC(C)C)=C(C)N=3)c1 ZINC000101129389 554648337 /nfs/dbraw/zinc/64/83/37/554648337.db2.gz XRRGPQKCABAHQE-JBDHCHCMSA-N 0 0 576.671 3.933 50 30 KHEARN C=CCN1C(=O)/C(=C\c2cn(-c3ccccc3)nc2-c2ccc(S(=O)(=O)N3CCOCC3)cc2)SC1=S ZINC000101129890 554648837 /nfs/dbraw/zinc/64/88/37/554648837.db2.gz XKRUTFIMRCEHBJ-HAVVHWLPSA-N 0 0 552.703 3.947 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000101130463 554649589 /nfs/dbraw/zinc/64/95/89/554649589.db2.gz NVQBNQORWVIWNW-NTWBUQQASA-N 0 0 569.639 3.843 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(C)C)cc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000101130468 554649585 /nfs/dbraw/zinc/64/95/85/554649585.db2.gz NVQBNQORWVIWNW-XKGHIZKOSA-N 0 0 569.639 3.843 50 30 KHEARN O=C(N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)ON1C(=O)CCC1=O)OCc1ccccc1 ZINC000101135417 554651182 /nfs/dbraw/zinc/65/11/82/554651182.db2.gz YFQGJQWXLNZGIA-XMMPIXPASA-N 0 0 502.523 3.710 50 30 KHEARN CO[C@@H]1O[C@@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000101135553 554651390 /nfs/dbraw/zinc/65/13/90/554651390.db2.gz MPNMHFPNHIKNOA-QMOXTPSMSA-N 0 0 590.672 3.637 50 30 KHEARN CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000101135556 554651353 /nfs/dbraw/zinc/65/13/53/554651353.db2.gz MPNMHFPNHIKNOA-JHTDHPSSSA-N 0 0 590.672 3.637 50 30 KHEARN Cc1ccc(S(=O)(=O)O[C@H]2CO[C@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101136996 554651807 /nfs/dbraw/zinc/65/18/07/554651807.db2.gz CCMZDLMLJYULRA-OFOQQJIRSA-N 0 0 560.646 3.664 50 30 KHEARN Cc1ccc(S(=O)(=O)O[C@H]2CO[C@@H]3CO[C@@H](c4ccccc4)O[C@H]3[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101137001 554651724 /nfs/dbraw/zinc/65/17/24/554651724.db2.gz CCMZDLMLJYULRA-UDLFFNGBSA-N 0 0 560.646 3.664 50 30 KHEARN Cc1ccc(S(=O)(=O)O[C@H]2CO[C@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101137005 554651735 /nfs/dbraw/zinc/65/17/35/554651735.db2.gz CCMZDLMLJYULRA-KDDYYSGWSA-N 0 0 560.646 3.664 50 30 KHEARN Cc1ccc(S(=O)(=O)O[C@H]2CO[C@@H]3CO[C@H](c4ccccc4)O[C@H]3[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000101137009 554651851 /nfs/dbraw/zinc/65/18/51/554651851.db2.gz CCMZDLMLJYULRA-NTYGKXENSA-N 0 0 560.646 3.664 50 30 KHEARN CO[C@H]1O[C@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](OS(C)(=O)=O)[C@@H](OS(C)(=O)=O)[C@@H]1C ZINC000101143493 554655409 /nfs/dbraw/zinc/65/54/09/554655409.db2.gz LREDGTQGMNXJHO-ADNQPUJWSA-N 0 0 590.716 3.692 50 30 KHEARN CO[C@H]1O[C@@H]2CO[C@@H](c3ccccc3)O[C@H]2[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]1OS(=O)(=O)c1ccc(C)cc1 ZINC000101143504 554655477 /nfs/dbraw/zinc/65/54/77/554655477.db2.gz MPNMHFPNHIKNOA-PYFBZWTESA-N 0 0 590.672 3.637 50 30 KHEARN CCCCCCCCCC(=O)O[C@@H]1[C@@H](C)[C@]2(O)[C@@H]3C=C(C)C(=O)[C@@]3(O)CC(CO)=C[C@H]2[C@@H]2C(C)(C)[C@@]21O ZINC000101145668 554656121 /nfs/dbraw/zinc/65/61/21/554656121.db2.gz LXYSVTVLQYLWKR-LKSXOGJWSA-N 0 0 518.691 3.622 50 30 KHEARN N#C/C(C(=O)NCCc1ccccc1)=c1\s/c(=C/c2cccc(Br)c2)c(=O)n1-c1ccccc1 ZINC000101151242 554657234 /nfs/dbraw/zinc/65/72/34/554657234.db2.gz KJVHHTJHINZKCK-MOPHLQQOSA-N 0 0 530.447 3.523 50 30 KHEARN CCCCCCCCCCCCO[C@@H]1O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1NC(C)=O ZINC000101157923 554659095 /nfs/dbraw/zinc/65/90/95/554659095.db2.gz PIEYYMFAQMSYFF-RSFKBIFASA-N 0 0 515.644 3.580 50 30 biogenic KHEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@H]1c1ccc(C(=O)OC)cc1 ZINC000101162907 554660562 /nfs/dbraw/zinc/66/05/62/554660562.db2.gz VGMBIVRNEPCHAT-OAQYLSRUSA-N 0 0 531.403 3.861 50 30 KHEARN CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc(Br)ccc2[O-])[C@@H]1c1ccc(C(=O)OC)cc1 ZINC000101162910 554660522 /nfs/dbraw/zinc/66/05/22/554660522.db2.gz VGMBIVRNEPCHAT-NRFANRHFSA-N 0 0 531.403 3.861 50 30 KHEARN Cc1c2c(c(O)c3c(O)c(C(C)(C)C)cc(Cl)c13)C(=O)[C@]1(O)C(=O)C(C(=O)NC(C)(C)C)=C([O-])[C@@H]([NH+](C)C)[C@@H]1C2 ZINC000101172927 554662234 /nfs/dbraw/zinc/66/22/34/554662234.db2.gz OWBCFWBVZZWLFY-QXMWCXJESA-N 0 0 573.086 3.836 50 30 KHEARN N#C/C(C(=O)NCc1ccccc1)=c1\s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000101175802 554663713 /nfs/dbraw/zinc/66/37/13/554663713.db2.gz XEWQVDNADJYDNJ-FYIQHRETSA-N 0 0 548.580 3.887 50 30 KHEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000101182437 554667670 /nfs/dbraw/zinc/66/76/70/554667670.db2.gz SNEMTOUOWVGUEZ-DEOSSOPVSA-N 0 0 544.077 3.527 50 30 KHEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3c(C)nn(C)c3Cl)CC2)OCc2ccc(C#N)cc2)c1 ZINC000101182440 554668030 /nfs/dbraw/zinc/66/80/30/554668030.db2.gz SNEMTOUOWVGUEZ-XMMPIXPASA-N 0 0 544.077 3.527 50 30 KHEARN C/C(=N\OC(=O)CCS(=O)(=O)c1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)c1ccc2c(c1)OCO2 ZINC000101195411 554672047 /nfs/dbraw/zinc/67/20/47/554672047.db2.gz YMXIFHOOHHOPNM-VVEOGCPPSA-N 0 0 565.482 3.751 50 30 KHEARN C=CCN(C(=O)C1CCN(S(=O)(=O)c2cc3c(cc2Br)CCN3C(C)=O)CC1)c1ccccc1 ZINC000101203338 554673556 /nfs/dbraw/zinc/67/35/56/554673556.db2.gz VOHOHCBDBTXIHF-UHFFFAOYSA-N 0 0 546.487 3.978 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1)C(=O)COC ZINC000101205121 554675042 /nfs/dbraw/zinc/67/50/42/554675042.db2.gz QBYXFLJWXAWPIK-UHFFFAOYSA-N 0 0 533.551 3.659 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000101209028 554678077 /nfs/dbraw/zinc/67/80/77/554678077.db2.gz PTWLEDZPDZNSIP-UHFFFAOYSA-N 0 0 533.604 3.667 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(F)cc1 ZINC000101209032 554678102 /nfs/dbraw/zinc/67/81/02/554678102.db2.gz VRRIIXYBUVKZHK-UHFFFAOYSA-N 0 0 533.604 3.667 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000101209192 554678289 /nfs/dbraw/zinc/67/82/89/554678289.db2.gz TTWBUJULEZQUJS-UHFFFAOYSA-N 0 0 545.640 3.537 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccc(OC)cc1 ZINC000101209195 554678252 /nfs/dbraw/zinc/67/82/52/554678252.db2.gz GGLOXSWAMMYOLA-UHFFFAOYSA-N 0 0 545.640 3.537 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1ccc(OC)cc1 ZINC000101209217 554678217 /nfs/dbraw/zinc/67/82/17/554678217.db2.gz WNLHGEGRSGZQCH-UHFFFAOYSA-N 0 0 542.636 3.933 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1)C(=O)c1ccc2c(c1)OCO2 ZINC000101209803 554678529 /nfs/dbraw/zinc/67/85/29/554678529.db2.gz RRLYZCFTKBICQR-UHFFFAOYSA-N 0 0 540.620 3.953 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000101210082 554678746 /nfs/dbraw/zinc/67/87/46/554678746.db2.gz JYXLDKDDPLCPFY-UHFFFAOYSA-N 0 0 533.604 3.667 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1cccc(F)c1 ZINC000101210088 554678704 /nfs/dbraw/zinc/67/87/04/554678704.db2.gz ZLDDROZGZBBFLS-UHFFFAOYSA-N 0 0 533.604 3.667 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1cccc(OC)c1 ZINC000101210192 554678995 /nfs/dbraw/zinc/67/89/95/554678995.db2.gz IHAMWBCTTUBFOH-UHFFFAOYSA-N 0 0 545.640 3.537 50 30 KHEARN C=CCN(CC(=O)Nc1ccc(N2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1)C(=O)c1cccc(OC)c1 ZINC000101210222 554679013 /nfs/dbraw/zinc/67/90/13/554679013.db2.gz REYHMWOISXIKBA-UHFFFAOYSA-N 0 0 542.636 3.933 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)c(OC)c3)nn2)CC1)C(=O)c1ccccc1F ZINC000101210486 554679288 /nfs/dbraw/zinc/67/92/88/554679288.db2.gz NFFKDMYXBJAORV-UHFFFAOYSA-N 0 0 533.604 3.667 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)C(=O)c1ccccc1F ZINC000101210493 554679284 /nfs/dbraw/zinc/67/92/84/554679284.db2.gz FBZHLIMLGKWBJJ-UHFFFAOYSA-N 0 0 533.604 3.667 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3ccc(OC)cc3OC)nn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218676 554685893 /nfs/dbraw/zinc/68/58/93/554685893.db2.gz RXAMGDPLZJQMBY-UHFFFAOYSA-N 0 0 586.114 3.730 50 30 KHEARN C=CCN(CC(=O)N1CCCN(c2ccc(-c3cccc(OC)c3)nn2)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000101218684 554685924 /nfs/dbraw/zinc/68/59/24/554685924.db2.gz LZZWNNWAVNYEHT-UHFFFAOYSA-N 0 0 556.088 3.721 50 30 KHEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@@H]1CCCO1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101219314 554686064 /nfs/dbraw/zinc/68/60/64/554686064.db2.gz GPCRTOXVTKIXHW-QHCPKHFHSA-N 0 0 563.673 3.561 50 30 KHEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)S(=O)(=O)c1ccc(OC)cc1 ZINC000101219316 554686077 /nfs/dbraw/zinc/68/60/77/554686077.db2.gz GPCRTOXVTKIXHW-HSZRJFAPSA-N 0 0 563.673 3.561 50 30 KHEARN C=CCN(C(=O)Cn1c2cc(C(=O)NCCc3ccccc3)ccc2c(=O)n(Cc2ccco2)c1=O)c1ccccc1 ZINC000101220826 554687074 /nfs/dbraw/zinc/68/70/74/554687074.db2.gz GMESPBUAJVEKDL-UHFFFAOYSA-N 0 0 562.626 3.996 50 30 KHEARN C=CCN(C(=O)CSc1nc2ccsc2c(=O)n1CCCC(=O)NCCc1ccc(S(N)(=O)=O)cc1)c1ccccc1 ZINC000101220865 554687120 /nfs/dbraw/zinc/68/71/20/554687120.db2.gz RKUMMWLXAMRJAL-UHFFFAOYSA-N 0 0 625.798 3.556 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)C(C)C)CC1 ZINC000101236245 554690972 /nfs/dbraw/zinc/69/09/72/554690972.db2.gz VIEHTWIQOWUQAC-HSZRJFAPSA-N 0 0 536.595 3.965 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)C(C)C)CC1 ZINC000101236248 554690869 /nfs/dbraw/zinc/69/08/69/554690869.db2.gz VIEHTWIQOWUQAC-QHCPKHFHSA-N 0 0 536.595 3.965 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)C)CC1 ZINC000101236367 554690849 /nfs/dbraw/zinc/69/08/49/554690849.db2.gz XWNKDNWINOOLRC-HSZRJFAPSA-N 0 0 551.610 3.901 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NC(C)C)CC1 ZINC000101236370 554691205 /nfs/dbraw/zinc/69/12/05/554691205.db2.gz XWNKDNWINOOLRC-QHCPKHFHSA-N 0 0 551.610 3.901 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000101236400 554691177 /nfs/dbraw/zinc/69/11/77/554691177.db2.gz SXLSWNPYDNUMMY-MUUNZHRXSA-N 0 0 546.668 3.921 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)c2cccc(OC)c2)CC1 ZINC000101236402 554691170 /nfs/dbraw/zinc/69/11/70/554691170.db2.gz SXLSWNPYDNUMMY-NDEPHWFRSA-N 0 0 546.668 3.921 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000101236414 554691265 /nfs/dbraw/zinc/69/12/65/554691265.db2.gz KSUZJCZPOVZMIX-MUUNZHRXSA-N 0 0 566.724 3.770 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(C)cc2)C(C(=O)OCC)=C1CN1CCCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000101236416 554691233 /nfs/dbraw/zinc/69/12/33/554691233.db2.gz KSUZJCZPOVZMIX-NDEPHWFRSA-N 0 0 566.724 3.770 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)CC1 ZINC000101236740 554691454 /nfs/dbraw/zinc/69/14/54/554691454.db2.gz VCAHVOMWTPPSKD-JOCHJYFZSA-N 0 0 538.476 3.799 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)CC1 ZINC000101236743 554691443 /nfs/dbraw/zinc/69/14/43/554691443.db2.gz VCAHVOMWTPPSKD-QFIPXVFZSA-N 0 0 538.476 3.799 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)CC1 ZINC000101236776 554691446 /nfs/dbraw/zinc/69/14/46/554691446.db2.gz CFDVZHFLSMJWNZ-QFIPXVFZSA-N 0 0 538.476 3.800 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)c(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)CC1 ZINC000101236780 554691511 /nfs/dbraw/zinc/69/15/11/554691511.db2.gz CFDVZHFLSMJWNZ-JOCHJYFZSA-N 0 0 538.476 3.800 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)CC1 ZINC000101236796 554691516 /nfs/dbraw/zinc/69/15/16/554691516.db2.gz YHXGZVJYMMZMPZ-QFIPXVFZSA-N 0 0 538.476 3.800 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)CC1 ZINC000101236799 554691497 /nfs/dbraw/zinc/69/14/97/554691497.db2.gz YHXGZVJYMMZMPZ-JOCHJYFZSA-N 0 0 538.476 3.800 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(C)c2)C(C(=O)OCC)=C1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101236943 554691449 /nfs/dbraw/zinc/69/14/49/554691449.db2.gz UBFGKBXQDRWPMP-AREMUKBSSA-N 0 0 573.115 3.724 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2cccc(C)c2)C(C(=O)OCC)=C1CN1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000101236946 554691460 /nfs/dbraw/zinc/69/14/60/554691460.db2.gz UBFGKBXQDRWPMP-SANMLTNESA-N 0 0 573.115 3.724 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCC(C(=O)OCC)CC3)C2)[C@H](c2ccc(C)cc2)NC1=O ZINC000101237047 554691655 /nfs/dbraw/zinc/69/16/55/554691655.db2.gz CRLYIARKUYHTIH-UHSQPCAPSA-N 0 0 570.690 3.757 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCC(C(=O)OCC)CC3)C2)[C@H](c2ccc(C)cc2)NC1=O ZINC000101237049 554691708 /nfs/dbraw/zinc/69/17/08/554691708.db2.gz CRLYIARKUYHTIH-WNJJXGMVSA-N 0 0 570.690 3.757 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)N3CCC(C(=O)OCC)CC3)C2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000101237051 554691680 /nfs/dbraw/zinc/69/16/80/554691680.db2.gz CRLYIARKUYHTIH-GGXMVOPNSA-N 0 0 570.690 3.757 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)N3CCC(C(=O)OCC)CC3)C2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000101237053 554691658 /nfs/dbraw/zinc/69/16/58/554691658.db2.gz CRLYIARKUYHTIH-LITSAYRRSA-N 0 0 570.690 3.757 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@H](c2cccc(F)c2)NC1=O ZINC000101237083 554691634 /nfs/dbraw/zinc/69/16/34/554691634.db2.gz ZJVJEAMKEIBTMO-RRPNLBNLSA-N 0 0 560.626 3.717 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@H](c2cccc(F)c2)NC1=O ZINC000101237087 554691641 /nfs/dbraw/zinc/69/16/41/554691641.db2.gz ZJVJEAMKEIBTMO-SVBPBHIXSA-N 0 0 560.626 3.717 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@@H](c2cccc(F)c2)NC1=O ZINC000101237089 554691628 /nfs/dbraw/zinc/69/16/28/554691628.db2.gz ZJVJEAMKEIBTMO-KAYWLYCHSA-N 0 0 560.626 3.717 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)N3CCC(C(=O)OCC)CC3)c3ccccc3)C2)[C@@H](c2cccc(F)c2)NC1=O ZINC000101237092 554691719 /nfs/dbraw/zinc/69/17/19/554691719.db2.gz ZJVJEAMKEIBTMO-SXOMAYOGSA-N 0 0 560.626 3.717 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCN(CC)CC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237227 554691980 /nfs/dbraw/zinc/69/19/80/554691980.db2.gz JSHKFQLOPWNSAJ-IZZNHLLZSA-N 0 0 567.612 3.959 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)N3CCN(CC)CC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237230 554691925 /nfs/dbraw/zinc/69/19/25/554691925.db2.gz JSHKFQLOPWNSAJ-UIOOFZCWSA-N 0 0 567.612 3.959 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)N3CCN(CC)CC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237233 554691898 /nfs/dbraw/zinc/69/18/98/554691898.db2.gz JSHKFQLOPWNSAJ-CLJLJLNGSA-N 0 0 567.612 3.959 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)N3CCN(CC)CC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237235 554691905 /nfs/dbraw/zinc/69/19/05/554691905.db2.gz JSHKFQLOPWNSAJ-FTJBHMTQSA-N 0 0 567.612 3.959 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC[C@@H]3CCCO3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000101237477 554691945 /nfs/dbraw/zinc/69/19/45/554691945.db2.gz VMXSFOCPSFBOAX-JCYRPKCISA-N 0 0 568.596 3.961 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC[C@@H]3CCCO3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000101237482 554691960 /nfs/dbraw/zinc/69/19/60/554691960.db2.gz VMXSFOCPSFBOAX-PPJWLVRDSA-N 0 0 568.596 3.961 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237531 554692202 /nfs/dbraw/zinc/69/22/02/554692202.db2.gz XGKXOYSDRCWTCM-LSYYVWMOSA-N 0 0 611.665 3.504 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237533 554692211 /nfs/dbraw/zinc/69/22/11/554692211.db2.gz XGKXOYSDRCWTCM-LBNVMWSVSA-N 0 0 611.665 3.504 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237535 554692144 /nfs/dbraw/zinc/69/21/44/554692144.db2.gz XGKXOYSDRCWTCM-NAKRPHOHSA-N 0 0 611.665 3.504 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCCN3CCOCC3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101237538 554692185 /nfs/dbraw/zinc/69/21/85/554692185.db2.gz XGKXOYSDRCWTCM-LEAFIULHSA-N 0 0 611.665 3.504 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000101237647 554692160 /nfs/dbraw/zinc/69/21/60/554692160.db2.gz RGTCLSQUFIYXAK-LITSAYRRSA-N 0 0 535.648 3.709 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@H](c2ccc(C)cc2)NC1=O ZINC000101237651 554692224 /nfs/dbraw/zinc/69/22/24/554692224.db2.gz RGTCLSQUFIYXAK-WNJJXGMVSA-N 0 0 535.648 3.709 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@@H](c2ccc(C)cc2)NC1=O ZINC000101237655 554692197 /nfs/dbraw/zinc/69/21/97/554692197.db2.gz RGTCLSQUFIYXAK-GGXMVOPNSA-N 0 0 535.648 3.709 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NCCc3ccccn3)C2)[C@H](c2ccc(C)cc2)NC1=O ZINC000101237658 554692225 /nfs/dbraw/zinc/69/22/25/554692225.db2.gz RGTCLSQUFIYXAK-UHSQPCAPSA-N 0 0 535.648 3.709 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NCCCN3CCOCC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101238058 554692559 /nfs/dbraw/zinc/69/25/59/554692559.db2.gz HNRIDXZICCMWEC-SVBPBHIXSA-N 0 0 597.638 3.634 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](C(=O)NCCCN3CCOCC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101238062 554692517 /nfs/dbraw/zinc/69/25/17/554692517.db2.gz HNRIDXZICCMWEC-SXOMAYOGSA-N 0 0 597.638 3.634 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NCCCN3CCOCC3)c3ccccc3)C2)[C@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101238066 554692591 /nfs/dbraw/zinc/69/25/91/554692591.db2.gz HNRIDXZICCMWEC-RRPNLBNLSA-N 0 0 597.638 3.634 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](C(=O)NCCCN3CCOCC3)c3ccccc3)C2)[C@@H](c2ccccc2C(F)(F)F)NC1=O ZINC000101238068 554692581 /nfs/dbraw/zinc/69/25/81/554692581.db2.gz HNRIDXZICCMWEC-KAYWLYCHSA-N 0 0 597.638 3.634 50 30 KHEARN COc1cccc(NC(=O)/C(C#N)=c2/s/c(=C/c3cccc(Br)c3)c(=O)n2-c2ccccc2)c1 ZINC000101240802 554693119 /nfs/dbraw/zinc/69/31/19/554693119.db2.gz SDMKPOQAVZXWAJ-PPEQAPDZSA-N 0 0 532.419 3.812 50 30 KHEARN C=CCN1C(=O)[C@]2(SC1=S)[C@H](c1cc(OC)c(OC)c(OC)c1)CN(C)[C@@]21c2cc(OCC)ccc2N(C)C1=O ZINC000101246220 554693557 /nfs/dbraw/zinc/69/35/57/554693557.db2.gz LBCRDIKURWARII-XYQOHPTNSA-N 0 0 583.732 3.797 50 30 KHEARN C=CCN1C(=O)[C@]2(SC1=S)[C@H](c1cc(OC)c(OC)c(OC)c1)CN(C)[C@]21c2cc(OCC)ccc2N(C)C1=O ZINC000101246224 554693567 /nfs/dbraw/zinc/69/35/67/554693567.db2.gz LBCRDIKURWARII-NNZIQWQDSA-N 0 0 583.732 3.797 50 30 KHEARN C=CCn1cc(C(=O)N2CCN(Cc3ccccc3)CC2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000101247789 554693843 /nfs/dbraw/zinc/69/38/43/554693843.db2.gz MXEWWOOIVHPCPE-UHFFFAOYSA-N 0 0 548.709 3.710 50 30 KHEARN COc1ccc(C2=NO[C@@H]3[C@@H]4C[C@H]([C@H]23)[C@H]2C(=O)N(c3sc5c(c3C#N)CCCC5)C(=O)[C@@H]42)c(OC)c1 ZINC000101261488 554697424 /nfs/dbraw/zinc/69/74/24/554697424.db2.gz HRJACMSOZXXSMY-GTXSQYAOSA-N 0 0 503.580 3.690 50 30 KHEARN CCC(NCCCCCCNC(CC)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000101286788 554705952 /nfs/dbraw/zinc/70/59/52/554705952.db2.gz OJDKELWGOSWAEO-ADZWMFLRSA-N 0 0 588.742 3.769 50 30 KHEARN CCC(NCCCCCCNC(CC)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O)=C1C(=O)CC(C)(C)[C@@H](C(=O)OC)C1=O ZINC000101286794 554706019 /nfs/dbraw/zinc/70/60/19/554706019.db2.gz OJDKELWGOSWAEO-MNXPGRNCSA-N 0 0 588.742 3.769 50 30 KHEARN CCC(NCCCCCCNC(CC)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O)=C1C(=O)CC(C)(C)[C@H](C(=O)OC)C1=O ZINC000101286800 554705929 /nfs/dbraw/zinc/70/59/29/554705929.db2.gz OJDKELWGOSWAEO-KIGXSPCBSA-N 0 0 588.742 3.769 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287119 554706420 /nfs/dbraw/zinc/70/64/20/554706420.db2.gz IZTVCFFCJZZNGF-NPJIAGGLSA-N 0 0 503.555 3.977 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000101287124 554706447 /nfs/dbraw/zinc/70/64/47/554706447.db2.gz IZTVCFFCJZZNGF-IUKMQXEJSA-N 0 0 503.555 3.977 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000101294095 554710637 /nfs/dbraw/zinc/71/06/37/554710637.db2.gz AURUTDIBVYSXNH-CZNAVJSXSA-N 0 0 506.599 3.794 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000101294097 554710670 /nfs/dbraw/zinc/71/06/70/554710670.db2.gz AURUTDIBVYSXNH-CJJGVWJISA-N 0 0 506.599 3.794 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294307 554711132 /nfs/dbraw/zinc/71/11/32/554711132.db2.gz MLFXDPIHOVZYGR-NPJIAGGLSA-N 0 0 501.539 3.731 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000101294311 554711144 /nfs/dbraw/zinc/71/11/44/554711144.db2.gz MLFXDPIHOVZYGR-IUKMQXEJSA-N 0 0 501.539 3.731 50 30 KHEARN COc1ccc([C@@H]2[C@H](NC=C3C(=O)CC(C)(C)CC3=O)[C@H](c3ccc(OC)cc3)Nc3ncnn32)cc1 ZINC000101299371 554712808 /nfs/dbraw/zinc/71/28/08/554712808.db2.gz DDZUOTISKHRUDE-JIMJEQGWSA-N 0 0 501.587 3.852 50 30 KHEARN COc1ccc([C@@H]2[C@@H](NC=C3C(=O)CC(C)(C)CC3=O)[C@H](c3ccc(OC)cc3)Nc3ncnn32)cc1 ZINC000101299376 554712703 /nfs/dbraw/zinc/71/27/03/554712703.db2.gz DDZUOTISKHRUDE-KKUQBAQOSA-N 0 0 501.587 3.852 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310367 554717745 /nfs/dbraw/zinc/71/77/45/554717745.db2.gz RSCPUYHWBCGYLL-YREDKMEYSA-N 0 0 548.636 3.727 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310370 554717942 /nfs/dbraw/zinc/71/79/42/554717942.db2.gz RSCPUYHWBCGYLL-YFVVEFNMSA-N 0 0 548.636 3.727 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310371 554717781 /nfs/dbraw/zinc/71/77/81/554717781.db2.gz RSCPUYHWBCGYLL-FGEDTZIGSA-N 0 0 548.636 3.727 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000101310373 554717987 /nfs/dbraw/zinc/71/79/87/554717987.db2.gz RSCPUYHWBCGYLL-LODGOHBISA-N 0 0 548.636 3.727 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000101310446 554718166 /nfs/dbraw/zinc/71/81/66/554718166.db2.gz GKGFBMKVFPTJML-DFXXOVSGSA-N 0 0 564.635 3.565 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000101310449 554718100 /nfs/dbraw/zinc/71/81/00/554718100.db2.gz GKGFBMKVFPTJML-TXTDGAROSA-N 0 0 564.635 3.565 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000101310638 554718452 /nfs/dbraw/zinc/71/84/52/554718452.db2.gz OSTIYUBMFIRXKP-QTTRZTASSA-N 0 0 594.686 3.788 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000101310640 554718377 /nfs/dbraw/zinc/71/83/77/554718377.db2.gz OSTIYUBMFIRXKP-QPJBPQEWSA-N 0 0 594.686 3.788 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(NC(C)=O)cc4)c(=O)n32)cc1OCC ZINC000101310665 554718432 /nfs/dbraw/zinc/71/84/32/554718432.db2.gz SRBUGFVPXWAUOZ-QTTRZTASSA-N 0 0 561.660 3.720 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(NC(C)=O)cc4)c(=O)n32)cc1OCC ZINC000101310669 554718385 /nfs/dbraw/zinc/71/83/85/554718385.db2.gz SRBUGFVPXWAUOZ-QPJBPQEWSA-N 0 0 561.660 3.720 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)OCC)cc4)c(=O)n32)cc1OCC ZINC000101310673 554718461 /nfs/dbraw/zinc/71/84/61/554718461.db2.gz OUCZOYGTUYPHGA-RGDUZTMSSA-N 0 0 606.697 3.704 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)OCC)cc4)c(=O)n32)cc1OCC ZINC000101310676 554718381 /nfs/dbraw/zinc/71/83/81/554718381.db2.gz OUCZOYGTUYPHGA-MFISQUFLSA-N 0 0 606.697 3.704 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313460 554721913 /nfs/dbraw/zinc/72/19/13/554721913.db2.gz ZJGMFIWSZPTEKB-CZNAVJSXSA-N 0 0 506.599 3.793 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000101313462 554721883 /nfs/dbraw/zinc/72/18/83/554721883.db2.gz ZJGMFIWSZPTEKB-CJJGVWJISA-N 0 0 506.599 3.793 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313788 554722529 /nfs/dbraw/zinc/72/25/29/554722529.db2.gz KDJAVTGRXZVXHK-HGZLRSGXSA-N 0 0 518.610 3.719 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313794 554722463 /nfs/dbraw/zinc/72/24/63/554722463.db2.gz KDJAVTGRXZVXHK-PMABHTPKSA-N 0 0 518.610 3.719 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313797 554722453 /nfs/dbraw/zinc/72/24/53/554722453.db2.gz KDJAVTGRXZVXHK-MNEKTFPPSA-N 0 0 518.610 3.719 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101313800 554722429 /nfs/dbraw/zinc/72/24/29/554722429.db2.gz KDJAVTGRXZVXHK-VDLDRNGKSA-N 0 0 518.610 3.719 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000101313867 554722419 /nfs/dbraw/zinc/72/24/19/554722419.db2.gz WIXIWOPOXRJQHQ-NPJIAGGLSA-N 0 0 501.539 3.731 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000101313871 554722519 /nfs/dbraw/zinc/72/25/19/554722519.db2.gz WIXIWOPOXRJQHQ-IUKMQXEJSA-N 0 0 501.539 3.731 50 30 KHEARN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101315213 554722998 /nfs/dbraw/zinc/72/29/98/554722998.db2.gz ZLBPBCOJRXMLMY-CZNAVJSXSA-N 0 0 506.599 3.794 50 30 KHEARN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000101315215 554723009 /nfs/dbraw/zinc/72/30/09/554723009.db2.gz ZLBPBCOJRXMLMY-CJJGVWJISA-N 0 0 506.599 3.794 50 30 KHEARN N#Cc1ccccc1Cn1c2ccsc2c(=O)n(CCCCCC(=O)NCc2ccc3c(c2)OCO3)c1=O ZINC000101318948 554726468 /nfs/dbraw/zinc/72/64/68/554726468.db2.gz RACLRPKDQSLCES-UHFFFAOYSA-N 0 0 530.606 3.750 50 30 KHEARN COc1ccc(CCNC(=O)CCCCn2c(=O)c3ccccc3n(Cc3ccccc3C#N)c2=O)cc1OC ZINC000101330261 554731059 /nfs/dbraw/zinc/73/10/59/554731059.db2.gz AMKDQIHHHUATSL-UHFFFAOYSA-N 0 0 540.620 3.630 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000101337309 554734279 /nfs/dbraw/zinc/73/42/79/554734279.db2.gz VUTZHVQSWYRIET-HHHXNRCGSA-N 0 0 585.698 3.691 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000101337314 554734352 /nfs/dbraw/zinc/73/43/52/554734352.db2.gz VUTZHVQSWYRIET-MHZLTWQESA-N 0 0 585.698 3.691 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000101337859 554734590 /nfs/dbraw/zinc/73/45/90/554734590.db2.gz OLUIVARSDPRMFW-AREMUKBSSA-N 0 0 563.632 3.662 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)=C(O)C(=O)N2Cc2cccnc2)c1 ZINC000101337861 554734517 /nfs/dbraw/zinc/73/45/17/554734517.db2.gz OLUIVARSDPRMFW-SANMLTNESA-N 0 0 563.632 3.662 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000101338171 554734638 /nfs/dbraw/zinc/73/46/38/554734638.db2.gz ZSYYRBUADXVXKV-JOCHJYFZSA-N 0 0 563.420 3.911 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000101338177 554734684 /nfs/dbraw/zinc/73/46/84/554734684.db2.gz ZSYYRBUADXVXKV-QFIPXVFZSA-N 0 0 563.420 3.911 50 30 KHEARN CCn1cc(/C=N/NC(=S)Nc2ccc(OC)c(Cl)c2)c2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000101391190 554754513 /nfs/dbraw/zinc/75/45/13/554754513.db2.gz WOHWXJUGFMBAIX-AFUMVMLFSA-N 0 0 536.079 3.665 50 30 KHEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc1OC ZINC000101393706 554756480 /nfs/dbraw/zinc/75/64/80/554756480.db2.gz PSRYBLKLWXFUPC-UIBINATQSA-N 0 0 540.623 3.503 50 30 KHEARN C=CCc1ccc(OCCOc2ccc(/C=C3/C(=N)N4C(=NC3=O)SN=C4S(C)(=O)=O)cc2)c(OC)c1 ZINC000101394041 554756744 /nfs/dbraw/zinc/75/67/44/554756744.db2.gz ISZOCMACDBWJLT-OQZKWKKUSA-N 0 0 540.623 3.503 50 30 KHEARN C=CCc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(OC)c1OCc1ccccc1F ZINC000101394760 554757083 /nfs/dbraw/zinc/75/70/83/554757083.db2.gz OQPNAVQUZVJQAV-XSBGCYDXSA-N 0 0 528.587 3.763 50 30 KHEARN C=CCc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(OC)c1OCc1ccc(F)cc1 ZINC000101394774 554757050 /nfs/dbraw/zinc/75/70/50/554757050.db2.gz LCDISFHVNFLIQQ-BTGMWCQSSA-N 0 0 528.587 3.763 50 30 KHEARN C=CCc1cc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(C)(=O)=O)cc(OC)c1OCc1ccccc1C ZINC000101394792 554757073 /nfs/dbraw/zinc/75/70/73/554757073.db2.gz XOCNJRAYMJBYJH-ZKZDLDBDSA-N 0 0 524.624 3.932 50 30 KHEARN C=CCc1ccccc1OCCOc1ccc(/C=C2/C(=N)N3C(=NC2=O)SN=C3S(=O)(=O)CC)cc1 ZINC000101395093 554757271 /nfs/dbraw/zinc/75/72/71/554757271.db2.gz LNFXTSLUKYZNBY-KBWRVROPSA-N 0 0 524.624 3.884 50 30 KHEARN C=CCc1ccccc1OCCOc1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1OC ZINC000101397102 554758519 /nfs/dbraw/zinc/75/85/19/554758519.db2.gz CEWFTPQCDDWELG-GSROUWSESA-N 0 0 540.623 3.503 50 30 KHEARN C=CCc1ccc(OCCOc2ccc(/C=C3\C(=N)N4N=C(S(C)(=O)=O)SC4=NC3=O)cc2)c(OC)c1 ZINC000101397366 554758674 /nfs/dbraw/zinc/75/86/74/554758674.db2.gz UCEXBYOUEDEZCN-SVKNRIHUSA-N 0 0 540.623 3.503 50 30 KHEARN C=CCc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCCOc1ccccc1 ZINC000101397986 554759180 /nfs/dbraw/zinc/75/91/80/554759180.db2.gz RDSINZKVXHDPJO-SVKNRIHUSA-N 0 0 540.623 3.503 50 30 KHEARN C=CCc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCc1ccccc1F ZINC000101398044 554759107 /nfs/dbraw/zinc/75/91/07/554759107.db2.gz XASXODNFBIFHLK-IHRLJDSVSA-N 0 0 528.587 3.763 50 30 KHEARN C=CCc1cc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc(OC)c1OCc1ccccc1C ZINC000101398072 554759157 /nfs/dbraw/zinc/75/91/57/554759157.db2.gz RHSLNMPRJLBNFW-VYIPLNHISA-N 0 0 524.624 3.932 50 30 KHEARN C#CCN1C(=O)[C@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c2cc(Cl)cc(Br)c21 ZINC000101409379 554763308 /nfs/dbraw/zinc/76/33/08/554763308.db2.gz CHLSBYYKMGWOTR-JOCHJYFZSA-N 0 0 537.765 3.521 50 30 KHEARN C#CCN1C(=O)[C@@]2(CC(=O)Nc3c2c(C)nn3-c2ncnc3[nH]cnc32)c2cc(Cl)cc(Br)c21 ZINC000101409380 554763391 /nfs/dbraw/zinc/76/33/91/554763391.db2.gz CHLSBYYKMGWOTR-QFIPXVFZSA-N 0 0 537.765 3.521 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccccc2C#N)C1=O ZINC000101410741 554763706 /nfs/dbraw/zinc/76/37/06/554763706.db2.gz NIFYWYUKJJZCGV-HHHXNRCGSA-N 0 0 519.500 3.682 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccccc2C#N)C1=O ZINC000101410743 554763763 /nfs/dbraw/zinc/76/37/63/554763763.db2.gz NIFYWYUKJJZCGV-MHZLTWQESA-N 0 0 519.500 3.682 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000101411711 554763965 /nfs/dbraw/zinc/76/39/65/554763965.db2.gz PSLHZZVYXLCHEB-HHHXNRCGSA-N 0 0 519.500 3.682 50 30 KHEARN Cc1nn(-c2ncnc3[nH]cnc32)c2c1[C@]1(CC(=O)N2)c2cc(F)ccc2N(Cc2ccc(C#N)cc2)C1=O ZINC000101411714 554763952 /nfs/dbraw/zinc/76/39/52/554763952.db2.gz PSLHZZVYXLCHEB-MHZLTWQESA-N 0 0 519.500 3.682 50 30 KHEARN C=CCn1cc(C(=O)NCCc2ccc(OCC)c(OCC)c2)c(=O)c2cc(S(=O)(=O)N(CC)CC)ccc21 ZINC000101417894 554766448 /nfs/dbraw/zinc/76/64/48/554766448.db2.gz UWVUJJNSSNFPLE-UHFFFAOYSA-N 0 0 555.697 3.988 50 30 KHEARN C=CCn1cc(C(=O)NCCc2ccc(OC)c(OC)c2)c(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc21 ZINC000101417900 554766471 /nfs/dbraw/zinc/76/64/71/554766471.db2.gz SJHPGCJTKPTKSO-UHFFFAOYSA-N 0 0 553.681 3.742 50 30 KHEARN C=CCn1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c(=O)c2cc(S(=O)(=O)N3CCCC3)ccc21 ZINC000101418186 554766451 /nfs/dbraw/zinc/76/64/51/554766451.db2.gz YKKANPDOQXZWPX-UHFFFAOYSA-N 0 0 555.100 3.896 50 30 KHEARN CC(=O)N1CCC(C(=O)N2CCN(Cc3cc(=O)c(OCc4ccc(-c5ccccc5C#N)cc4)co3)CC2)CC1 ZINC000101427749 554769169 /nfs/dbraw/zinc/76/91/69/554769169.db2.gz LFHSAHATHXFJHX-UHFFFAOYSA-N 0 0 554.647 3.660 50 30 KHEARN N#Cc1ccccc1Cn1c2cc(C(=O)NCc3ccc4c(c3)OCO4)ccc2c(=O)n(-c2ccccc2)c1=O ZINC000101432426 554770868 /nfs/dbraw/zinc/77/08/68/554770868.db2.gz CUIQOYAZXZJTHN-UHFFFAOYSA-N 0 0 530.540 3.731 50 30 KHEARN C=CCn1c(=O)c2ccc(C(=O)NCc3ccccc3)cc2n(CC(=O)Nc2cc(Cl)ccc2OC)c1=O ZINC000101432664 554771219 /nfs/dbraw/zinc/77/12/19/554771219.db2.gz BWYBIBKGVSRETL-UHFFFAOYSA-N 0 0 532.984 3.580 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccc(C)cc1C ZINC000101440076 554772699 /nfs/dbraw/zinc/77/26/99/554772699.db2.gz SXSLGEAJBLWWDR-RUZDIDTESA-N 0 0 508.644 3.688 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccc(C)cc1C ZINC000101440078 554772702 /nfs/dbraw/zinc/77/27/02/554772702.db2.gz SXSLGEAJBLWWDR-VWLOTQADSA-N 0 0 508.644 3.688 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccc(Cl)cc1 ZINC000101440106 554772654 /nfs/dbraw/zinc/77/26/54/554772654.db2.gz JRKBSRGZLTXSPI-QHCPKHFHSA-N 0 0 515.035 3.725 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccc(Cl)cc1 ZINC000101440109 554772707 /nfs/dbraw/zinc/77/27/07/554772707.db2.gz JRKBSRGZLTXSPI-HSZRJFAPSA-N 0 0 515.035 3.725 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@H]1c1ccccc1Cl ZINC000101440182 554772705 /nfs/dbraw/zinc/77/27/05/554772705.db2.gz GGWRSSKRKHSTDA-QHCPKHFHSA-N 0 0 515.035 3.725 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)N3CCN(C(C)=O)CC3)N2[C@@H]1c1ccccc1Cl ZINC000101440185 554772668 /nfs/dbraw/zinc/77/26/68/554772668.db2.gz GGWRSSKRKHSTDA-HSZRJFAPSA-N 0 0 515.035 3.725 50 30 KHEARN C=CCn1cc(C(=O)N2CCN(c3ccccc3OC)CC2)c(=O)c2cc(S(=O)(=O)N3CCc4ccccc4C3)ccc21 ZINC000101448668 554775111 /nfs/dbraw/zinc/77/51/11/554775111.db2.gz IXVXGRXYMVHEFU-UHFFFAOYSA-N 0 0 598.725 3.906 50 30 KHEARN CCC(=O)C1=C(C)N=c2sc(=Cc3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101510027 554792227 /nfs/dbraw/zinc/79/22/27/554792227.db2.gz JHZLRCPROGKWSN-ZSJKCPIUSA-N 0 0 531.634 3.732 50 30 KHEARN CCC(=O)C1=C(C)N=c2sc(=Cc3cn(C)c4ccccc34)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000101510031 554792327 /nfs/dbraw/zinc/79/23/27/554792327.db2.gz JHZLRCPROGKWSN-QARYAGPDSA-N 0 0 531.634 3.732 50 30 KHEARN C#CCN1C(=O)S/C(=C\c2cc(I)c(OC)c(I)c2)C1=O ZINC000101635613 554812874 /nfs/dbraw/zinc/81/28/74/554812874.db2.gz UYAFTBNODKLFRE-XFFZJAGNSA-N 0 0 525.105 3.574 50 30 KHEARN COc1cccc([C@@H](CN2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000101639311 554814054 /nfs/dbraw/zinc/81/40/54/554814054.db2.gz QUCZMZWJHLPBIG-GDLZYMKVSA-N 0 0 551.665 3.848 50 30 KHEARN COc1cccc([C@H](CN2CCN(S(=O)(=O)c3ccc(OC)c(OC)c3)CC2)OCc2ccc(C#N)cc2)c1 ZINC000101639313 554814085 /nfs/dbraw/zinc/81/40/85/554814085.db2.gz QUCZMZWJHLPBIG-LJAQVGFWSA-N 0 0 551.665 3.848 50 30 KHEARN N#Cc1ccccc1COc1c(I)cc(/C=C2\NC(=O)NC2=O)cc1I ZINC000101665246 554822404 /nfs/dbraw/zinc/82/24/04/554822404.db2.gz BXQOQNPUCAIFFQ-CHHVJCJISA-N 0 0 571.112 3.527 50 30 KHEARN COc1ccc(NC(=S)N/N=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(Cc3ccc(Cl)cc3)C2=O)cc1 ZINC000101671800 554825425 /nfs/dbraw/zinc/82/54/25/554825425.db2.gz CDQBAUBWTVAAAE-JVCXMKTPSA-N 0 0 600.122 3.607 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101928194 554851858 /nfs/dbraw/zinc/85/18/58/554851858.db2.gz FYEHSJDWNDNTNH-NXLSWJSLSA-N 0 0 509.559 3.526 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000101928198 554851874 /nfs/dbraw/zinc/85/18/74/554851874.db2.gz FYEHSJDWNDNTNH-SBXHHDGASA-N 0 0 509.559 3.526 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101928200 554851797 /nfs/dbraw/zinc/85/17/97/554851797.db2.gz BGXDAINUPPRSIO-NXLSWJSLSA-N 0 0 509.559 3.526 50 30 KHEARN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000101928206 554851787 /nfs/dbraw/zinc/85/17/87/554851787.db2.gz BGXDAINUPPRSIO-SBXHHDGASA-N 0 0 509.559 3.526 50 30 KHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000102055043 554872591 /nfs/dbraw/zinc/87/25/91/554872591.db2.gz KXCITRYVUYSILV-VLIAUNLRSA-N 0 0 529.471 3.937 50 30 KHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]c(=O)[nH]c(=O)c2[C@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000102055049 554872641 /nfs/dbraw/zinc/87/26/41/554872641.db2.gz KXCITRYVUYSILV-XOBRGWDASA-N 0 0 529.471 3.937 50 30 KHEARN COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000102055051 554872615 /nfs/dbraw/zinc/87/26/15/554872615.db2.gz KXCITRYVUYSILV-JLTOFOAXSA-N 0 0 529.471 3.937 50 30 KHEARN COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2[nH]c(=O)[nH]c(=O)c2[C@@H]3c2ccc(OC(F)(F)F)cc2)cc1OC ZINC000102055057 554872570 /nfs/dbraw/zinc/87/25/70/554872570.db2.gz KXCITRYVUYSILV-VBKZILBWSA-N 0 0 529.471 3.937 50 30 KHEARN C=CCn1c(=O)/c(=C2/Sc3ccc(Cl)cc3N2C)s/c1=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C ZINC000102056528 554872841 /nfs/dbraw/zinc/87/28/41/554872841.db2.gz OJCNRBHXHCOHTI-CBAIGBLSSA-N 0 0 540.026 3.539 50 30 KHEARN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000102076867 554875189 /nfs/dbraw/zinc/87/51/89/554875189.db2.gz PARMEYZBCNTYCG-UUALVTFQSA-N 0 0 536.625 3.637 50 30 KHEARN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000102076870 554875374 /nfs/dbraw/zinc/87/53/74/554875374.db2.gz PARMEYZBCNTYCG-ONQGDUAMSA-N 0 0 536.625 3.637 50 30 KHEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(O)cc1 ZINC000102169090 554890903 /nfs/dbraw/zinc/89/09/03/554890903.db2.gz AQHSUFQXOUMYOH-CZNAVJSXSA-N 0 0 508.615 3.879 50 30 KHEARN Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(O)cc1 ZINC000102169093 554890969 /nfs/dbraw/zinc/89/09/69/554890969.db2.gz AQHSUFQXOUMYOH-CJJGVWJISA-N 0 0 508.615 3.879 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(O)cc2)ccc1OCC(C)C ZINC000102175383 554891953 /nfs/dbraw/zinc/89/19/53/554891953.db2.gz MSIMADLPHPERMN-CZNAVJSXSA-N 0 0 508.615 3.879 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(O)cc2)ccc1OCC(C)C ZINC000102175388 554891841 /nfs/dbraw/zinc/89/18/41/554891841.db2.gz MSIMADLPHPERMN-CJJGVWJISA-N 0 0 508.615 3.879 50 30 KHEARN COc1cc(S(=O)(=O)Nc2ccccc2F)cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C#N)c1OC ZINC000102230533 554899965 /nfs/dbraw/zinc/89/99/65/554899965.db2.gz KZPBDHIWJRRDAQ-UHFFFAOYSA-N 0 0 547.948 3.964 50 30 KHEARN Cn1c2nc(N=NCc3cc(Br)ccc3O)n(Cc3cccc4ccccc43)c2c(=O)n(C)c1=O ZINC000102269375 554905665 /nfs/dbraw/zinc/90/56/65/554905665.db2.gz ODBIGPWNMPINOJ-UVHMKAGCSA-N 0 0 533.386 3.549 50 30 KHEARN COc1ccc(NC(=O)CC2S/C(=N\S(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)cc1 ZINC000102275383 554906104 /nfs/dbraw/zinc/90/61/04/554906104.db2.gz GAUOUCCIUHNPBQ-FNWSHLARSA-N 0 0 501.611 3.979 50 30 KHEARN COc1ccc(NC(=O)CC2S/C(=N\S(=O)(=O)c3cccs3)N(c3ccccc3)C2=O)cc1 ZINC000102275393 554906380 /nfs/dbraw/zinc/90/63/80/554906380.db2.gz GAUOUCCIUHNPBQ-LWVPEANGSA-N 0 0 501.611 3.979 50 30 KHEARN CCCCCCCCn1c(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)nc2sc3c(c2c1=O)CCCC3 ZINC000102276071 554906364 /nfs/dbraw/zinc/90/63/64/554906364.db2.gz LHTIEYFYXSJLGJ-UHFFFAOYSA-N 0 0 545.731 3.652 50 30 KHEARN CC1=NN(c2ccccc2)C(=O)C1=C(NNS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000102308705 554909572 /nfs/dbraw/zinc/90/95/72/554909572.db2.gz IVIZRGAYSIBPFY-AKRNDRGTSA-N 0 0 524.002 3.960 50 30 KHEARN CC1=NN(c2ccccc2)C(=O)C1=C(NNS(=O)(=O)c1ccc(C)cc1)C(=O)Nc1ccc(Cl)cc1 ZINC000102308711 554909527 /nfs/dbraw/zinc/90/95/27/554909527.db2.gz IVIZRGAYSIBPFY-PMPNHAFBSA-N 0 0 524.002 3.960 50 30 KHEARN Cc1ccc2c(c1)N(CCCS(=O)(=O)[O-])C(=Cc1sc3ccc(C)cc3[n+]1CCCS(=O)(=O)ON)S2 ZINC000102315743 554911515 /nfs/dbraw/zinc/91/15/15/554911515.db2.gz PEYVMTPHBGWWAU-UHFFFAOYSA-O 0 0 570.760 3.604 50 30 KHEARN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102368252 554915767 /nfs/dbraw/zinc/91/57/67/554915767.db2.gz JWAATJJQLXGSRI-IUKMQXEJSA-N 0 0 523.586 3.834 50 30 KHEARN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102368254 554915632 /nfs/dbraw/zinc/91/56/32/554915632.db2.gz JWAATJJQLXGSRI-NPJIAGGLSA-N 0 0 523.586 3.834 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000102377696 554918242 /nfs/dbraw/zinc/91/82/42/554918242.db2.gz NQQNPMZCPQSREE-IUKMQXEJSA-N 0 0 523.586 3.834 50 30 KHEARN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OC(C)C ZINC000102377701 554918239 /nfs/dbraw/zinc/91/82/39/554918239.db2.gz NQQNPMZCPQSREE-NPJIAGGLSA-N 0 0 523.586 3.834 50 30 KHEARN CC(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102401831 554920010 /nfs/dbraw/zinc/92/00/10/554920010.db2.gz ZYXNRCTVSCNDEL-CJJGVWJISA-N 0 0 506.599 3.725 50 30 KHEARN CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102401836 554920065 /nfs/dbraw/zinc/92/00/65/554920065.db2.gz ZYXNRCTVSCNDEL-CZNAVJSXSA-N 0 0 506.599 3.725 50 30 KHEARN COc1cccc(CO[C@H]2CN(C(=O)c3cccc(C#CC(C)(C)O)c3)CC(=O)N(CCc3ccccc3)C2)c1 ZINC000102402350 1066208944 /nfs/dbraw/zinc/20/89/44/1066208944.db2.gz IDAYINVSYWLYNH-SSEXGKCCSA-N 0 0 540.660 3.930 50 30 KHEARN COc1cccc(CO[C@@H]2CN(C(=O)c3cccc(C#CC(C)(C)O)c3)CC(=O)N(CCc3ccccc3)C2)c1 ZINC000102402352 1066208925 /nfs/dbraw/zinc/20/89/25/1066208925.db2.gz IDAYINVSYWLYNH-PMERELPUSA-N 0 0 540.660 3.930 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102402555 554920003 /nfs/dbraw/zinc/92/00/03/554920003.db2.gz NWRLNQYKBNBOEH-QKJBWNOYSA-N 0 0 502.615 3.828 50 30 KHEARN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102402557 554920015 /nfs/dbraw/zinc/92/00/15/554920015.db2.gz NWRLNQYKBNBOEH-KQAPWQHSSA-N 0 0 502.615 3.828 50 30 KHEARN C#CCOc1ccc(OC)cc1/C=c1\sc2n(c1=O)[C@H](c1cccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000102413284 554923987 /nfs/dbraw/zinc/92/39/87/554923987.db2.gz ABTOYFPBSWHVMV-FHMSYZJOSA-N 0 0 538.625 3.972 50 30 KHEARN C#CCOc1ccc(OC)cc1/C=c1\sc2n(c1=O)[C@@H](c1cccc3ccccc31)C(C(=O)OCC)=C(C)N=2 ZINC000102413288 554923998 /nfs/dbraw/zinc/92/39/98/554923998.db2.gz ABTOYFPBSWHVMV-OXWVMCNISA-N 0 0 538.625 3.972 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000102413664 554924104 /nfs/dbraw/zinc/92/41/04/554924104.db2.gz XVDNLPRKKSQEHD-RQLGBQGVSA-N 0 0 555.450 3.744 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102413668 554924039 /nfs/dbraw/zinc/92/40/39/554924039.db2.gz XVDNLPRKKSQEHD-FJWZAKCXSA-N 0 0 555.450 3.744 50 30 KHEARN O=c1n(S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c2ccccc2n1S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F ZINC000102419114 554925017 /nfs/dbraw/zinc/92/50/17/554925017.db2.gz RYWDWMHYNFQZGY-UHFFFAOYSA-N 0 0 594.364 3.668 50 30 KHEARN COc1ccc(CN2CCN(c3nc4ccccc4nc3[C@@H](C#N)C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000102446564 554930790 /nfs/dbraw/zinc/93/07/90/554930790.db2.gz IQNPQHXDYGHFCE-RUZDIDTESA-N 0 0 550.663 3.935 50 30 KHEARN COc1ccc(CN2CCN(c3nc4ccccc4nc3[C@H](C#N)C(=O)NCCc3ccccc3)CC2)cc1OC ZINC000102446569 554930744 /nfs/dbraw/zinc/93/07/44/554930744.db2.gz IQNPQHXDYGHFCE-VWLOTQADSA-N 0 0 550.663 3.935 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102488837 554938865 /nfs/dbraw/zinc/93/88/65/554938865.db2.gz SGKUPVMMFKYDAJ-CJJGVWJISA-N 0 0 524.614 3.637 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102488845 554938871 /nfs/dbraw/zinc/93/88/71/554938871.db2.gz SGKUPVMMFKYDAJ-CZNAVJSXSA-N 0 0 524.614 3.637 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102493227 554939615 /nfs/dbraw/zinc/93/96/15/554939615.db2.gz KPAWOVILLGHXGN-NPJIAGGLSA-N 0 0 508.615 3.755 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)cc1OC ZINC000102493238 554939639 /nfs/dbraw/zinc/93/96/39/554939639.db2.gz KPAWOVILLGHXGN-IUKMQXEJSA-N 0 0 508.615 3.755 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102498003 554941286 /nfs/dbraw/zinc/94/12/86/554941286.db2.gz XGAURGVYSYUXFO-AYWGPLOBSA-N 0 0 529.431 3.910 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102498011 554941291 /nfs/dbraw/zinc/94/12/91/554941291.db2.gz XGAURGVYSYUXFO-ZHHPLPSFSA-N 0 0 529.431 3.910 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102498192 554941552 /nfs/dbraw/zinc/94/15/52/554941552.db2.gz JDGDNWLVPSJPMF-JBCNATCCSA-N 0 0 512.360 3.872 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102498201 554941588 /nfs/dbraw/zinc/94/15/88/554941588.db2.gz JDGDNWLVPSJPMF-MRJHHRETSA-N 0 0 512.360 3.872 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000102499876 554942534 /nfs/dbraw/zinc/94/25/34/554942534.db2.gz MJRITGQMTZSHBC-HFEWCJDKSA-N 0 0 504.499 3.733 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1C ZINC000102499883 554942461 /nfs/dbraw/zinc/94/24/61/554942461.db2.gz MJRITGQMTZSHBC-IAMBOQNYSA-N 0 0 504.499 3.733 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102501510 554943125 /nfs/dbraw/zinc/94/31/25/554943125.db2.gz YBZBFCXISWTIGM-SBXHHDGASA-N 0 0 515.006 3.891 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102501521 554943109 /nfs/dbraw/zinc/94/31/09/554943109.db2.gz YBZBFCXISWTIGM-NXLSWJSLSA-N 0 0 515.006 3.891 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102502121 554943421 /nfs/dbraw/zinc/94/34/21/554943421.db2.gz BTIBIDJRYNUXIB-ONQGDUAMSA-N 0 0 538.641 3.888 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102502129 554943458 /nfs/dbraw/zinc/94/34/58/554943458.db2.gz BTIBIDJRYNUXIB-UUALVTFQSA-N 0 0 538.641 3.888 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102506717 554944973 /nfs/dbraw/zinc/94/49/73/554944973.db2.gz PYHNSVXIXOXALL-CZNAVJSXSA-N 0 0 538.641 3.943 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102506724 554944873 /nfs/dbraw/zinc/94/48/73/554944873.db2.gz PYHNSVXIXOXALL-CJJGVWJISA-N 0 0 538.641 3.943 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000102507303 554944958 /nfs/dbraw/zinc/94/49/58/554944958.db2.gz DZFGETYPJFZCPK-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000102507313 554944884 /nfs/dbraw/zinc/94/48/84/554944884.db2.gz DZFGETYPJFZCPK-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102507460 554944831 /nfs/dbraw/zinc/94/48/31/554944831.db2.gz VGKXOPAUXWMWHN-IIHDFJPDSA-N 0 0 503.555 3.736 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102507469 554944851 /nfs/dbraw/zinc/94/48/51/554944851.db2.gz VGKXOPAUXWMWHN-MWCANZRFSA-N 0 0 503.555 3.736 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(OC)c(OC)c3)oc21 ZINC000102510570 554945960 /nfs/dbraw/zinc/94/59/60/554945960.db2.gz UAJKCPPWZGAEPN-IUKMQXEJSA-N 0 0 536.581 3.603 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(OC)c(OC)c3)oc21 ZINC000102510578 554946094 /nfs/dbraw/zinc/94/60/94/554946094.db2.gz UAJKCPPWZGAEPN-NPJIAGGLSA-N 0 0 536.581 3.603 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102512841 554947047 /nfs/dbraw/zinc/94/70/47/554947047.db2.gz GSSHGSIXKQOOQK-NXLSWJSLSA-N 0 0 509.559 3.528 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000102512848 554947016 /nfs/dbraw/zinc/94/70/16/554947016.db2.gz GSSHGSIXKQOOQK-SBXHHDGASA-N 0 0 509.559 3.528 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102513459 554946971 /nfs/dbraw/zinc/94/69/71/554946971.db2.gz OCSFWWDTEHCJFO-SOIUSXPSSA-N 0 0 587.467 3.631 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102513468 554947064 /nfs/dbraw/zinc/94/70/64/554947064.db2.gz OCSFWWDTEHCJFO-CIKQMSCWSA-N 0 0 587.467 3.631 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102514815 554947578 /nfs/dbraw/zinc/94/75/78/554947578.db2.gz LQWSTLZAOATADQ-KXDYMIPJSA-N 0 0 536.625 3.561 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102514826 554947621 /nfs/dbraw/zinc/94/76/21/554947621.db2.gz LQWSTLZAOATADQ-ZLYDLHQSSA-N 0 0 536.625 3.561 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102515272 554947648 /nfs/dbraw/zinc/94/76/48/554947648.db2.gz BRSACNRPBVVMJM-UVDRRRQGSA-N 0 0 566.611 3.543 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102515278 554947586 /nfs/dbraw/zinc/94/75/86/554947586.db2.gz BRSACNRPBVVMJM-ZZIWUOEGSA-N 0 0 566.611 3.543 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102518861 554948922 /nfs/dbraw/zinc/94/89/22/554948922.db2.gz PJIPESFBOOQING-SBXHHDGASA-N 0 0 506.555 3.594 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102518874 554948985 /nfs/dbraw/zinc/94/89/85/554948985.db2.gz PJIPESFBOOQING-NXLSWJSLSA-N 0 0 506.555 3.594 50 30 KHEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102519302 554949299 /nfs/dbraw/zinc/94/92/99/554949299.db2.gz BRDNHAQYKJKELN-WZLGSTDNSA-N 0 0 501.539 3.505 50 30 KHEARN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102519309 554949386 /nfs/dbraw/zinc/94/93/86/554949386.db2.gz BRDNHAQYKJKELN-VAGBDARLSA-N 0 0 501.539 3.505 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102526783 554952197 /nfs/dbraw/zinc/95/21/97/554952197.db2.gz PFWNBJLZWWCIRT-CJJGVWJISA-N 0 0 524.614 3.555 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102526791 554952122 /nfs/dbraw/zinc/95/21/22/554952122.db2.gz PFWNBJLZWWCIRT-CZNAVJSXSA-N 0 0 524.614 3.555 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527280 554952535 /nfs/dbraw/zinc/95/25/35/554952535.db2.gz LRIUZSXPWUHTAC-QKJBWNOYSA-N 0 0 502.615 3.694 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102527288 554952480 /nfs/dbraw/zinc/95/24/80/554952480.db2.gz LRIUZSXPWUHTAC-KQAPWQHSSA-N 0 0 502.615 3.694 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102527791 554952877 /nfs/dbraw/zinc/95/28/77/554952877.db2.gz UOVJXGHUWJRMMM-COUQNMRISA-N 0 0 506.559 3.525 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OC)c3C)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102527798 554952796 /nfs/dbraw/zinc/95/27/96/554952796.db2.gz UOVJXGHUWJRMMM-BUANBSPESA-N 0 0 506.559 3.525 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102528736 554953024 /nfs/dbraw/zinc/95/30/24/554953024.db2.gz MOADJYQNZZGAGN-CJJGVWJISA-N 0 0 524.614 3.637 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102528741 554953184 /nfs/dbraw/zinc/95/31/84/554953184.db2.gz MOADJYQNZZGAGN-CZNAVJSXSA-N 0 0 524.614 3.637 50 30 KHEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1cccc(Br)c1 ZINC000102532934 554954790 /nfs/dbraw/zinc/95/47/90/554954790.db2.gz IAIDIVZXWFTCLH-OBVHCKHUSA-N 0 0 532.435 3.944 50 30 KHEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1cccc(Br)c1 ZINC000102532942 554954808 /nfs/dbraw/zinc/95/48/08/554954808.db2.gz IAIDIVZXWFTCLH-PGVNHDJNSA-N 0 0 532.435 3.944 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cccc(OC)c3OC)oc21 ZINC000102537714 554956295 /nfs/dbraw/zinc/95/62/95/554956295.db2.gz VJHLPAUMJHPZMD-NXLSWJSLSA-N 0 0 536.581 3.603 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cccc(OC)c3OC)oc21 ZINC000102537723 554956318 /nfs/dbraw/zinc/95/63/18/554956318.db2.gz VJHLPAUMJHPZMD-SBXHHDGASA-N 0 0 536.581 3.603 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000102538259 554956547 /nfs/dbraw/zinc/95/65/47/554956547.db2.gz VOLGXOLWRYGLBX-JBCNATCCSA-N 0 0 503.368 3.732 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(F)cc1)c1ccc(Br)cc1 ZINC000102538271 554956515 /nfs/dbraw/zinc/95/65/15/554956515.db2.gz VOLGXOLWRYGLBX-MRJHHRETSA-N 0 0 503.368 3.732 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000102538569 554956493 /nfs/dbraw/zinc/95/64/93/554956493.db2.gz QOTMFSFQBPMQEW-HFEWCJDKSA-N 0 0 504.499 3.733 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1C ZINC000102538576 554956580 /nfs/dbraw/zinc/95/65/80/554956580.db2.gz QOTMFSFQBPMQEW-IAMBOQNYSA-N 0 0 504.499 3.733 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102540480 554957318 /nfs/dbraw/zinc/95/73/18/554957318.db2.gz NNIJVOBZKTYXEV-YREDKMEYSA-N 0 0 550.652 3.951 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102540489 554957331 /nfs/dbraw/zinc/95/73/31/554957331.db2.gz NNIJVOBZKTYXEV-YFVVEFNMSA-N 0 0 550.652 3.951 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc(Br)c1O ZINC000102544609 554958763 /nfs/dbraw/zinc/95/87/63/554958763.db2.gz ZJFKPRSJQDUMNW-HOGKFDNTSA-N 0 0 570.396 3.643 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc(Br)c1O ZINC000102544618 554958734 /nfs/dbraw/zinc/95/87/34/554958734.db2.gz ZJFKPRSJQDUMNW-MOBKVPTQSA-N 0 0 570.396 3.643 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000102546778 554959314 /nfs/dbraw/zinc/95/93/14/554959314.db2.gz AHWKKSJNTYQPGM-IUKMQXEJSA-N 0 0 536.606 3.797 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000102546789 554959494 /nfs/dbraw/zinc/95/94/94/554959494.db2.gz AHWKKSJNTYQPGM-NPJIAGGLSA-N 0 0 536.606 3.797 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000102554633 554963751 /nfs/dbraw/zinc/96/37/51/554963751.db2.gz PJNFQLOZNNQBOO-BAXPTACRSA-N 0 0 522.392 3.730 50 30 KHEARN CCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cc(Br)c(O)c(OCC)c1 ZINC000102554636 554963799 /nfs/dbraw/zinc/96/37/99/554963799.db2.gz PJNFQLOZNNQBOO-JPJOULJCSA-N 0 0 522.392 3.730 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102554738 554963760 /nfs/dbraw/zinc/96/37/60/554963760.db2.gz AXOCQWXZFRNRQC-CGOGNACUSA-N 0 0 532.387 3.945 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102554747 554963744 /nfs/dbraw/zinc/96/37/44/554963744.db2.gz AXOCQWXZFRNRQC-RQBWANKVSA-N 0 0 532.387 3.945 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)ccc1OC(C)=O ZINC000102554956 554963841 /nfs/dbraw/zinc/96/38/41/554963841.db2.gz GETZHHMQCZEPCL-PKAUSPCKSA-N 0 0 545.654 3.920 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102557185 554964933 /nfs/dbraw/zinc/96/49/33/554964933.db2.gz DNOMOQFOERCRAX-NPJIAGGLSA-N 0 0 509.555 3.880 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCOC)cc1OCC ZINC000102557193 554964909 /nfs/dbraw/zinc/96/49/09/554964909.db2.gz DNOMOQFOERCRAX-IUKMQXEJSA-N 0 0 509.555 3.880 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102558027 554965654 /nfs/dbraw/zinc/96/56/54/554965654.db2.gz JHAMTEKJSLDGDL-ZHHPLPSFSA-N 0 0 514.644 3.693 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102558038 554965526 /nfs/dbraw/zinc/96/55/26/554965526.db2.gz JHAMTEKJSLDGDL-AYWGPLOBSA-N 0 0 514.644 3.693 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@H](C)C3)ccc1O ZINC000102560066 554967584 /nfs/dbraw/zinc/96/75/84/554967584.db2.gz JKEPKARZWJKMED-JEWAVWJGSA-N 0 0 503.617 3.700 50 30 KHEARN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102562307 554968682 /nfs/dbraw/zinc/96/86/82/554968682.db2.gz JKJHMPHNVWSWOS-UUALVTFQSA-N 0 0 536.625 3.781 50 30 KHEARN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102562317 554968696 /nfs/dbraw/zinc/96/86/96/554968696.db2.gz JKJHMPHNVWSWOS-ONQGDUAMSA-N 0 0 536.625 3.781 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102569616 554970277 /nfs/dbraw/zinc/97/02/77/554970277.db2.gz GDKVWSVUGBRGFL-IUKMQXEJSA-N 0 0 512.578 3.766 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102569624 554970191 /nfs/dbraw/zinc/97/01/91/554970191.db2.gz GDKVWSVUGBRGFL-NPJIAGGLSA-N 0 0 512.578 3.766 50 30 KHEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(O)C(=O)N1CCCN1CCOCC1 ZINC000102572893 554971181 /nfs/dbraw/zinc/97/11/81/554971181.db2.gz MMEKQQPNRAYGNI-IUKMQXEJSA-N 0 0 512.578 3.766 50 30 KHEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)c(F)c2)=C(O)C(=O)N1CCCN1CCOCC1 ZINC000102572899 554971191 /nfs/dbraw/zinc/97/11/91/554971191.db2.gz MMEKQQPNRAYGNI-NPJIAGGLSA-N 0 0 512.578 3.766 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102584214 554972756 /nfs/dbraw/zinc/97/27/56/554972756.db2.gz PNVMUMDZTGAOHY-RUZDIDTESA-N 0 0 542.654 3.897 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)=C(O)C(=O)N2CCCOC)cc1 ZINC000102584219 554972843 /nfs/dbraw/zinc/97/28/43/554972843.db2.gz PNVMUMDZTGAOHY-VWLOTQADSA-N 0 0 542.654 3.897 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102593381 554974776 /nfs/dbraw/zinc/97/47/76/554974776.db2.gz ADBFOSGBRSRTFX-IUKMQXEJSA-N 0 0 542.604 3.774 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1OC ZINC000102593387 554974701 /nfs/dbraw/zinc/97/47/01/554974701.db2.gz ADBFOSGBRSRTFX-NPJIAGGLSA-N 0 0 542.604 3.774 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102594691 554975679 /nfs/dbraw/zinc/97/56/79/554975679.db2.gz GOSHHUMWJSUZEC-NHFXJNLRSA-N 0 0 527.426 3.702 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102594695 554975709 /nfs/dbraw/zinc/97/57/09/554975709.db2.gz GOSHHUMWJSUZEC-YDJIHCHBSA-N 0 0 527.426 3.702 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102595653 554976603 /nfs/dbraw/zinc/97/66/03/554976603.db2.gz WWKDOCGGJYPFCF-HOGKFDNTSA-N 0 0 553.365 3.951 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2ccncc2)cc(Br)c1O ZINC000102595658 554976538 /nfs/dbraw/zinc/97/65/38/554976538.db2.gz WWKDOCGGJYPFCF-MOBKVPTQSA-N 0 0 553.365 3.951 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102596071 554976816 /nfs/dbraw/zinc/97/68/16/554976816.db2.gz JQJVZGWRBAKLPN-CZNAVJSXSA-N 0 0 572.630 3.783 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102596077 554976875 /nfs/dbraw/zinc/97/68/75/554976875.db2.gz JQJVZGWRBAKLPN-CJJGVWJISA-N 0 0 572.630 3.783 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102596944 554977020 /nfs/dbraw/zinc/97/70/20/554977020.db2.gz YVNFRMFNIMVNSF-CZNAVJSXSA-N 0 0 542.604 3.774 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102596952 554977153 /nfs/dbraw/zinc/97/71/53/554977153.db2.gz YVNFRMFNIMVNSF-CJJGVWJISA-N 0 0 542.604 3.774 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102615055 554984216 /nfs/dbraw/zinc/98/42/16/554984216.db2.gz CDHDNKNERJAYSY-WGGXKBPPSA-N 0 0 556.615 3.791 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCN2CCOCC2)[C@H]1c1cccc(OCc2ccccc2)c1)c1ccc2c(c1)OCCO2 ZINC000102615063 554984348 /nfs/dbraw/zinc/98/43/48/554984348.db2.gz CDHDNKNERJAYSY-MIOXIQPJSA-N 0 0 556.615 3.791 50 30 KHEARN CCOP(=O)(OCC)c1nc(CN=Nc2nc(-c3ccccc3)c(NC(C)=O)s2)oc1N1CCOCC1 ZINC000102619164 554985845 /nfs/dbraw/zinc/98/58/45/554985845.db2.gz WLZRLJMJYHFGAI-BUVRLJJBSA-N 0 0 548.562 3.931 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102623955 554987773 /nfs/dbraw/zinc/98/77/73/554987773.db2.gz IBUVQYXJDFOMGJ-CZNAVJSXSA-N 0 0 542.604 3.774 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102623961 554987659 /nfs/dbraw/zinc/98/76/59/554987659.db2.gz IBUVQYXJDFOMGJ-CJJGVWJISA-N 0 0 542.604 3.774 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102625087 554988000 /nfs/dbraw/zinc/98/80/00/554988000.db2.gz GKYIFUMKOPEISX-IUKMQXEJSA-N 0 0 512.578 3.766 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(F)c3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102625094 554988026 /nfs/dbraw/zinc/98/80/26/554988026.db2.gz GKYIFUMKOPEISX-NPJIAGGLSA-N 0 0 512.578 3.766 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102645366 554991895 /nfs/dbraw/zinc/99/18/95/554991895.db2.gz VGKXOPAUXWMWHN-NEMSTITPSA-N 0 0 503.555 3.736 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102645370 554991927 /nfs/dbraw/zinc/99/19/27/554991927.db2.gz VGKXOPAUXWMWHN-OTQMSCLFSA-N 0 0 503.555 3.736 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102645536 554992004 /nfs/dbraw/zinc/99/20/04/554992004.db2.gz LQWSTLZAOATADQ-NGAXIMOQSA-N 0 0 536.625 3.561 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102645539 554991989 /nfs/dbraw/zinc/99/19/89/554991989.db2.gz LQWSTLZAOATADQ-JLPDLQRYSA-N 0 0 536.625 3.561 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102645565 554991948 /nfs/dbraw/zinc/99/19/48/554991948.db2.gz OCSFWWDTEHCJFO-RPUIFAKWSA-N 0 0 587.467 3.631 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc(Br)c1O ZINC000102645568 554992219 /nfs/dbraw/zinc/99/22/19/554992219.db2.gz OCSFWWDTEHCJFO-YMMFOPJESA-N 0 0 587.467 3.631 50 30 KHEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102646864 554993106 /nfs/dbraw/zinc/99/31/06/554993106.db2.gz BRDNHAQYKJKELN-IYGWJSLMSA-N 0 0 501.539 3.505 50 30 KHEARN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102646868 554993065 /nfs/dbraw/zinc/99/30/65/554993065.db2.gz BRDNHAQYKJKELN-GOBYDPEUSA-N 0 0 501.539 3.505 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102649987 554995350 /nfs/dbraw/zinc/99/53/50/554995350.db2.gz NNIJVOBZKTYXEV-FGEDTZIGSA-N 0 0 550.652 3.951 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102649989 554995281 /nfs/dbraw/zinc/99/52/81/554995281.db2.gz NNIJVOBZKTYXEV-LODGOHBISA-N 0 0 550.652 3.951 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102653607 554997188 /nfs/dbraw/zinc/99/71/88/554997188.db2.gz AXOCQWXZFRNRQC-IWUDECAASA-N 0 0 532.387 3.945 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102653608 554997128 /nfs/dbraw/zinc/99/71/28/554997128.db2.gz AXOCQWXZFRNRQC-HJFSGKHBSA-N 0 0 532.387 3.945 50 30 KHEARN CCOC(=O)c1ccc(-c2ccc(/C=c3\s/c(=C(/C#N)C(=O)NCc4ccco4)n(-c4ccccc4)c3=O)o2)cc1 ZINC000102666977 555001649 /nfs/dbraw/zinc/00/16/49/555001649.db2.gz TWZJUZKPKRZDMX-CCBYXVJQSA-N 0 0 565.607 3.748 50 30 KHEARN COc1cc(OC)c(OC)cc1/C=c1\s/c(=C(/C#N)C(=O)Nc2ccc(C)cc2)n(-c2ccc(C)c(C)c2)c1=O ZINC000102667460 555001970 /nfs/dbraw/zinc/00/19/70/555001970.db2.gz GXUXQXJLEOYJCK-KXIVTDMTSA-N 0 0 555.656 3.992 50 30 KHEARN N#C/C(C(=O)NCCc1ccccc1)=c1\s/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c(=O)n1-c1ccccc1 ZINC000102667887 555001966 /nfs/dbraw/zinc/00/19/66/555001966.db2.gz XLHPHNJSDVBKPQ-AJENOYMASA-N 0 0 562.607 3.929 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102691812 555008578 /nfs/dbraw/zinc/00/85/78/555008578.db2.gz UNCZQEBUKYTNSI-NPJIAGGLSA-N 0 0 519.554 3.574 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OC ZINC000102691817 555008592 /nfs/dbraw/zinc/00/85/92/555008592.db2.gz UNCZQEBUKYTNSI-IUKMQXEJSA-N 0 0 519.554 3.574 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccncc3)cc2)c1 ZINC000102695072 555010251 /nfs/dbraw/zinc/01/02/51/555010251.db2.gz XMSDENNNMRAGPD-ONQGDUAMSA-N 0 0 513.594 3.723 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccncc3)cc2)c1 ZINC000102695079 555010276 /nfs/dbraw/zinc/01/02/76/555010276.db2.gz XMSDENNNMRAGPD-UUALVTFQSA-N 0 0 513.594 3.723 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102697003 555011643 /nfs/dbraw/zinc/01/16/43/555011643.db2.gz CROSXTPRTNGGPB-ZHHPLPSFSA-N 0 0 533.408 3.909 50 30 KHEARN O=C(C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(Cl)c(Cl)c1)c1ccc2c(c1)OCCO2 ZINC000102697011 555011628 /nfs/dbraw/zinc/01/16/28/555011628.db2.gz CROSXTPRTNGGPB-AYWGPLOBSA-N 0 0 533.408 3.909 50 30 KHEARN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000102704832 555013983 /nfs/dbraw/zinc/01/39/83/555013983.db2.gz QFCAESWJMYPWEK-CZNAVJSXSA-N 0 0 520.626 3.899 50 30 KHEARN C=C(C)[C@@H]1CC=C(CN2C[C@H](n3cc(C(=O)OC)nn3)C[C@H]2C(=O)NCCc2c[nH]c3ccccc23)CC1 ZINC000102709052 555015916 /nfs/dbraw/zinc/01/59/16/555015916.db2.gz GKFMMVUKYIEJTC-CIXCFARBSA-N 0 0 516.646 3.823 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000102713527 555017952 /nfs/dbraw/zinc/01/79/52/555017952.db2.gz VPYVUQNBHQRBBD-UUALVTFQSA-N 0 0 538.641 3.888 50 30 KHEARN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN2CCOCC2)ccc1O ZINC000102713528 555017975 /nfs/dbraw/zinc/01/79/75/555017975.db2.gz VPYVUQNBHQRBBD-ONQGDUAMSA-N 0 0 538.641 3.888 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102715577 555018651 /nfs/dbraw/zinc/01/86/51/555018651.db2.gz YQOKMYURGNACJV-NPJIAGGLSA-N 0 0 503.555 3.955 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1 ZINC000102715580 555018643 /nfs/dbraw/zinc/01/86/43/555018643.db2.gz YQOKMYURGNACJV-IUKMQXEJSA-N 0 0 503.555 3.955 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccnc3)cc2)c1 ZINC000102719123 555019746 /nfs/dbraw/zinc/01/97/46/555019746.db2.gz LYGIRPHIGNXJFA-ONQGDUAMSA-N 0 0 513.594 3.723 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccnc3)cc2)c1 ZINC000102719126 555019654 /nfs/dbraw/zinc/01/96/54/555019654.db2.gz LYGIRPHIGNXJFA-UUALVTFQSA-N 0 0 513.594 3.723 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102719356 555019750 /nfs/dbraw/zinc/01/97/50/555019750.db2.gz OXSIFAFGJGBHHU-MOBKVPTQSA-N 0 0 515.404 3.520 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102719359 555019639 /nfs/dbraw/zinc/01/96/39/555019639.db2.gz OXSIFAFGJGBHHU-HOGKFDNTSA-N 0 0 515.404 3.520 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102721278 555020186 /nfs/dbraw/zinc/02/01/86/555020186.db2.gz UEVYMKGCYFKROR-NPJIAGGLSA-N 0 0 503.555 3.955 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)c1 ZINC000102721282 555020190 /nfs/dbraw/zinc/02/01/90/555020190.db2.gz UEVYMKGCYFKROR-IUKMQXEJSA-N 0 0 503.555 3.955 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102723400 555020692 /nfs/dbraw/zinc/02/06/92/555020692.db2.gz VEVHLNJAZBIWGN-SBXHHDGASA-N 0 0 518.522 3.501 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc(OC)c1OC ZINC000102723402 555020657 /nfs/dbraw/zinc/02/06/57/555020657.db2.gz VEVHLNJAZBIWGN-NXLSWJSLSA-N 0 0 518.522 3.501 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000102746495 555038852 /nfs/dbraw/zinc/03/88/52/555038852.db2.gz YCLNYCNBNAABFP-CYFREDJKSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102746501 555038920 /nfs/dbraw/zinc/03/89/20/555038920.db2.gz YCLNYCNBNAABFP-YADARESESA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1ccc(OC)c(OC)c1 ZINC000102746507 555038840 /nfs/dbraw/zinc/03/88/40/555038840.db2.gz YCLNYCNBNAABFP-DVECYGJZSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102746511 555038927 /nfs/dbraw/zinc/03/89/27/555038927.db2.gz YCLNYCNBNAABFP-NTKDMRAZSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000102746514 555038869 /nfs/dbraw/zinc/03/88/69/555038869.db2.gz JDJRTYQUPVQNDH-CYFREDJKSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000102746516 555038857 /nfs/dbraw/zinc/03/88/57/555038857.db2.gz JDJRTYQUPVQNDH-YADARESESA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1cc(OC)cc(OC)c1 ZINC000102746518 555038890 /nfs/dbraw/zinc/03/88/90/555038890.db2.gz JDJRTYQUPVQNDH-DVECYGJZSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1cc(OC)cc(OC)c1 ZINC000102746523 555039147 /nfs/dbraw/zinc/03/91/47/555039147.db2.gz JDJRTYQUPVQNDH-NTKDMRAZSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@H]1c1cccc(OC)c1OC ZINC000102746538 555039089 /nfs/dbraw/zinc/03/90/89/555039089.db2.gz UDFAEJLRXQUIBI-MBSDFSHPSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@@H]3CCCO3)N2[C@@H]1c1cccc(OC)c1OC ZINC000102746540 555039112 /nfs/dbraw/zinc/03/91/12/555039112.db2.gz UDFAEJLRXQUIBI-FDDCHVKYSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@H]1c1cccc(OC)c1OC ZINC000102746543 555039045 /nfs/dbraw/zinc/03/90/45/555039045.db2.gz UDFAEJLRXQUIBI-JPYJTQIMSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NC[C@H]3CCCO3)N2[C@@H]1c1cccc(OC)c1OC ZINC000102746545 555039141 /nfs/dbraw/zinc/03/91/41/555039141.db2.gz UDFAEJLRXQUIBI-WZONZLPQSA-N 0 0 513.616 3.693 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@H]1c1ccc(C(C)C)cc1 ZINC000102747069 555040502 /nfs/dbraw/zinc/04/05/02/555040502.db2.gz LQPFKIQJZKERLD-SANMLTNESA-N 0 0 524.687 3.953 50 30 KHEARN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN3CCOCC3)N2[C@@H]1c1ccc(C(C)C)cc1 ZINC000102747070 555040493 /nfs/dbraw/zinc/04/04/93/555040493.db2.gz LQPFKIQJZKERLD-AREMUKBSSA-N 0 0 524.687 3.953 50 30 KHEARN COc1ccc(CCNC(=O)CCCCCn2c(SCC#N)nc3cc4c(cc3c2=O)OCO4)cc1OC ZINC000102755825 555048211 /nfs/dbraw/zinc/04/82/11/555048211.db2.gz YJOVXAORRQVYFK-UHFFFAOYSA-N 0 0 538.626 3.677 50 30 KHEARN N#CCSc1nc2cc3c(cc2c(=O)n1Cc1ccc(C(=O)N2CCN(c4ccccc4)CC2)cc1)OCO3 ZINC000102755894 193915480 /nfs/dbraw/zinc/91/54/80/193915480.db2.gz AHTGVVRULKQDDS-UHFFFAOYSA-N 0 0 539.617 3.752 50 30 KHEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3cccc(C)c3)C2=O)cc1 ZINC000102765121 555054742 /nfs/dbraw/zinc/05/47/42/555054742.db2.gz MPCGTGZKFBUQOE-BXVZCJGGSA-N 0 0 563.705 3.562 50 30 KHEARN COc1ccccc1NC(=S)N/N=C1/c2cc(S(=O)(=O)N3CCOCC3)ccc2N(Cc2ccc(Cl)cc2)C1=O ZINC000102766076 555055030 /nfs/dbraw/zinc/05/50/30/555055030.db2.gz UOWKWPNHGIJFER-JVCXMKTPSA-N 0 0 600.122 3.607 50 30 KHEARN CCc1ccc(NC(=S)N/N=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(Cc3ccc(C)cc3)C2=O)cc1 ZINC000102766077 555055003 /nfs/dbraw/zinc/05/50/03/555055003.db2.gz LMJUJYGUTLKITP-QVTSOHHYSA-N 0 0 577.732 3.816 50 30 KHEARN CCc1ccccc1NC(=S)N/N=C1/c2cc(S(=O)(=O)N3CCOCC3)ccc2N(Cc2ccc(C)cc2)C1=O ZINC000102766183 555055019 /nfs/dbraw/zinc/05/50/19/555055019.db2.gz GWYSPBAJDDLQRH-QVTSOHHYSA-N 0 0 577.732 3.816 50 30 KHEARN COc1cccc(NC(=S)N/N=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(Cc3ccc(Cl)cc3)C2=O)c1 ZINC000102766261 555054991 /nfs/dbraw/zinc/05/49/91/555054991.db2.gz WGUYABPXIRMSBT-JVCXMKTPSA-N 0 0 600.122 3.607 50 30 KHEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3ccc(C)cc3)C2=O)cc1 ZINC000102766312 555055281 /nfs/dbraw/zinc/05/52/81/555055281.db2.gz DQTNXMWNKYYRQR-BXVZCJGGSA-N 0 0 563.705 3.562 50 30 KHEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3ccc(C)c(C)c3)C2=O)cc1 ZINC000102766366 555055188 /nfs/dbraw/zinc/05/51/88/555055188.db2.gz OYVKYWXLBLNEAL-QVTSOHHYSA-N 0 0 577.732 3.870 50 30 KHEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3c(C)cccc3C)C2=O)cc1 ZINC000102766557 555055301 /nfs/dbraw/zinc/05/53/01/555055301.db2.gz PWIZMYGTKGQCFZ-QVTSOHHYSA-N 0 0 577.732 3.870 50 30 KHEARN COc1ccc(NC(=S)N/N=C2/c3cc(S(=O)(=O)N4CCOCC4)ccc3N(Cc3ccc(C)cc3)C2=O)cc1Cl ZINC000102766665 555055443 /nfs/dbraw/zinc/05/54/43/555055443.db2.gz BCMNGEMUMJVVFX-ZXPTYKNPSA-N 0 0 614.149 3.915 50 30 KHEARN Cc1ccc(CN2c3ccc(S(=O)(=O)N4CCOCC4)cc3/C(=N/NC(=S)Nc3cc(C)cc(C)c3)C2=O)cc1 ZINC000102766744 555055541 /nfs/dbraw/zinc/05/55/41/555055541.db2.gz TYESJRMNMGCNTJ-QVTSOHHYSA-N 0 0 577.732 3.870 50 30 KHEARN CN1c2ccccc2C(C)(C)/C1=C/C(=O)COC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000102778478 555064584 /nfs/dbraw/zinc/06/45/84/555064584.db2.gz KCLJEQVZHAQPPG-PZLPMSIKSA-N 0 0 503.020 3.917 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102857924 555089206 /nfs/dbraw/zinc/08/92/06/555089206.db2.gz BFYJERRSTXGWDU-AYWGPLOBSA-N 0 0 529.431 3.910 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102857928 555089233 /nfs/dbraw/zinc/08/92/33/555089233.db2.gz BFYJERRSTXGWDU-ZHHPLPSFSA-N 0 0 529.431 3.910 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102859442 555089759 /nfs/dbraw/zinc/08/97/59/555089759.db2.gz OEJDXPKDULBPBP-QKJBWNOYSA-N 0 0 537.657 3.860 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000102859445 555089784 /nfs/dbraw/zinc/08/97/84/555089784.db2.gz OEJDXPKDULBPBP-KQAPWQHSSA-N 0 0 537.657 3.860 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102859589 555090068 /nfs/dbraw/zinc/09/00/68/555090068.db2.gz ZLYHCKFKPYCAJG-CZNAVJSXSA-N 0 0 524.614 3.637 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000102859593 555090046 /nfs/dbraw/zinc/09/00/46/555090046.db2.gz ZLYHCKFKPYCAJG-CJJGVWJISA-N 0 0 524.614 3.637 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(OCCC)cc2)cc1 ZINC000102859734 555089962 /nfs/dbraw/zinc/08/99/62/555089962.db2.gz HYZBRAPWXKVFJB-CJJGVWJISA-N 0 0 506.599 3.794 50 30 KHEARN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(OCCC)cc2)cc1 ZINC000102859738 555089940 /nfs/dbraw/zinc/08/99/40/555089940.db2.gz HYZBRAPWXKVFJB-CZNAVJSXSA-N 0 0 506.599 3.794 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102860441 555090632 /nfs/dbraw/zinc/09/06/32/555090632.db2.gz YRIFNPGSKHRTKZ-NPJIAGGLSA-N 0 0 502.523 3.882 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc1OC ZINC000102860443 555090550 /nfs/dbraw/zinc/09/05/50/555090550.db2.gz YRIFNPGSKHRTKZ-IUKMQXEJSA-N 0 0 502.523 3.882 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Br)c2)cc1C ZINC000102861009 555091288 /nfs/dbraw/zinc/09/12/88/555091288.db2.gz NUYXEHPPJOSCPT-MOBKVPTQSA-N 0 0 515.404 3.520 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102861014 555091248 /nfs/dbraw/zinc/09/12/48/555091248.db2.gz NUYXEHPPJOSCPT-HOGKFDNTSA-N 0 0 515.404 3.520 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102862099 555092036 /nfs/dbraw/zinc/09/20/36/555092036.db2.gz HTJYECOWUBYCDO-ONQGDUAMSA-N 0 0 538.641 3.888 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)ccc1O ZINC000102862104 555091932 /nfs/dbraw/zinc/09/19/32/555091932.db2.gz HTJYECOWUBYCDO-UUALVTFQSA-N 0 0 538.641 3.888 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000102862370 555092273 /nfs/dbraw/zinc/09/22/73/555092273.db2.gz AIEQVXNGDOPABJ-NXLSWJSLSA-N 0 0 506.990 3.588 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000102862373 555092192 /nfs/dbraw/zinc/09/21/92/555092192.db2.gz AIEQVXNGDOPABJ-SBXHHDGASA-N 0 0 506.990 3.588 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000102862523 555092574 /nfs/dbraw/zinc/09/25/74/555092574.db2.gz JKUFCWGMZYBJNZ-MOBKVPTQSA-N 0 0 521.397 3.765 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2ccc(Cl)c(Cl)c2)cc1OC ZINC000102862525 555092506 /nfs/dbraw/zinc/09/25/06/555092506.db2.gz JKUFCWGMZYBJNZ-HOGKFDNTSA-N 0 0 521.397 3.765 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102862887 555092578 /nfs/dbraw/zinc/09/25/78/555092578.db2.gz WJUMPKKZUVRZHG-CJJGVWJISA-N 0 0 524.614 3.555 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3C)=C(O)C(=O)N2CCCN2CCOCC2)cc1OC ZINC000102862892 555092544 /nfs/dbraw/zinc/09/25/44/555092544.db2.gz WJUMPKKZUVRZHG-CZNAVJSXSA-N 0 0 524.614 3.555 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102864708 555094179 /nfs/dbraw/zinc/09/41/79/555094179.db2.gz XPDFWEGCDRGBHZ-CZNAVJSXSA-N 0 0 506.599 3.794 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1 ZINC000102864710 555094123 /nfs/dbraw/zinc/09/41/23/555094123.db2.gz XPDFWEGCDRGBHZ-CJJGVWJISA-N 0 0 506.599 3.794 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c(C)c1 ZINC000102864812 555094474 /nfs/dbraw/zinc/09/44/74/555094474.db2.gz ASVFNERXXMBKLU-AYWGPLOBSA-N 0 0 529.431 3.910 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c(C)c1 ZINC000102864814 555094493 /nfs/dbraw/zinc/09/44/93/555094493.db2.gz ASVFNERXXMBKLU-ZHHPLPSFSA-N 0 0 529.431 3.910 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102866640 555096077 /nfs/dbraw/zinc/09/60/77/555096077.db2.gz KBOVAYYHYNTLQC-UVDRRRQGSA-N 0 0 549.580 3.851 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c1C ZINC000102866642 555096013 /nfs/dbraw/zinc/09/60/13/555096013.db2.gz KBOVAYYHYNTLQC-ZZIWUOEGSA-N 0 0 549.580 3.851 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102867011 555096396 /nfs/dbraw/zinc/09/63/96/555096396.db2.gz NWORHYHDBVYCLO-ZHHPLPSFSA-N 0 0 533.046 3.973 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102867015 555096451 /nfs/dbraw/zinc/09/64/51/555096451.db2.gz NWORHYHDBVYCLO-AYWGPLOBSA-N 0 0 533.046 3.973 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@H]1c1cccc(Cl)c1 ZINC000102867084 555096619 /nfs/dbraw/zinc/09/66/19/555096619.db2.gz YKNJBCAHWMDTLH-HOGKFDNTSA-N 0 0 519.019 3.583 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)[C@@H]1c1cccc(Cl)c1 ZINC000102867089 555096642 /nfs/dbraw/zinc/09/66/42/555096642.db2.gz YKNJBCAHWMDTLH-MOBKVPTQSA-N 0 0 519.019 3.583 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102868135 555097570 /nfs/dbraw/zinc/09/75/70/555097570.db2.gz FQMAMKWRHKOGLF-OTQMSCLFSA-N 0 0 503.555 3.823 50 30 KHEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102868136 555097628 /nfs/dbraw/zinc/09/76/28/555097628.db2.gz FQMAMKWRHKOGLF-MWCANZRFSA-N 0 0 503.555 3.823 50 30 KHEARN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102868138 555097613 /nfs/dbraw/zinc/09/76/13/555097613.db2.gz FQMAMKWRHKOGLF-NEMSTITPSA-N 0 0 503.555 3.823 50 30 KHEARN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)ccc1O ZINC000102868141 555097685 /nfs/dbraw/zinc/09/76/85/555097685.db2.gz FQMAMKWRHKOGLF-IIHDFJPDSA-N 0 0 503.555 3.823 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccco3)cc2)c1 ZINC000102868314 555097893 /nfs/dbraw/zinc/09/78/93/555097893.db2.gz KRTCNFSOOWUKQI-CZNAVJSXSA-N 0 0 502.567 3.921 50 30 KHEARN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccco3)cc2)c1 ZINC000102868318 555097891 /nfs/dbraw/zinc/09/78/91/555097891.db2.gz KRTCNFSOOWUKQI-CJJGVWJISA-N 0 0 502.567 3.921 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102868995 555098161 /nfs/dbraw/zinc/09/81/61/555098161.db2.gz MKGVCCGIBQTQEN-CJJGVWJISA-N 0 0 533.581 3.964 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCn2ccnc2)cc1OCC ZINC000102868997 555098253 /nfs/dbraw/zinc/09/82/53/555098253.db2.gz MKGVCCGIBQTQEN-CZNAVJSXSA-N 0 0 533.581 3.964 50 30 KHEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(Br)cc1 ZINC000102872920 555103532 /nfs/dbraw/zinc/10/35/32/555103532.db2.gz AZCIQTREFCSERG-OBVHCKHUSA-N 0 0 532.435 3.944 50 30 KHEARN CC[NH+](CC)CCN1C(=O)C(=O)C(=C([O-])c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(Br)cc1 ZINC000102872924 555103578 /nfs/dbraw/zinc/10/35/78/555103578.db2.gz AZCIQTREFCSERG-PGVNHDJNSA-N 0 0 532.435 3.944 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102873271 555103673 /nfs/dbraw/zinc/10/36/73/555103673.db2.gz OXZHLIKMZHZKLG-CZNAVJSXSA-N 0 0 524.614 3.635 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102873276 555103765 /nfs/dbraw/zinc/10/37/65/555103765.db2.gz OXZHLIKMZHZKLG-CJJGVWJISA-N 0 0 524.614 3.635 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102875382 555105538 /nfs/dbraw/zinc/10/55/38/555105538.db2.gz NSLRFGXLHANHDY-NPJIAGGLSA-N 0 0 536.581 3.603 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)cc(OC)c1OC ZINC000102875385 555105507 /nfs/dbraw/zinc/10/55/07/555105507.db2.gz NSLRFGXLHANHDY-IUKMQXEJSA-N 0 0 536.581 3.603 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C ZINC000102876025 555105818 /nfs/dbraw/zinc/10/58/18/555105818.db2.gz AKHWSGGLKIZTLS-QKJBWNOYSA-N 0 0 523.630 3.686 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(C(C)C)cc2)c1C ZINC000102876028 555105968 /nfs/dbraw/zinc/10/59/68/555105968.db2.gz AKHWSGGLKIZTLS-KQAPWQHSSA-N 0 0 523.630 3.686 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878348 555107626 /nfs/dbraw/zinc/10/76/26/555107626.db2.gz VMRSGNWCMRUIAF-YREDKMEYSA-N 0 0 550.652 3.951 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878352 555107485 /nfs/dbraw/zinc/10/74/85/555107485.db2.gz VMRSGNWCMRUIAF-YFVVEFNMSA-N 0 0 550.652 3.951 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878355 555107535 /nfs/dbraw/zinc/10/75/35/555107535.db2.gz VMRSGNWCMRUIAF-FGEDTZIGSA-N 0 0 550.652 3.951 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102878357 555107523 /nfs/dbraw/zinc/10/75/23/555107523.db2.gz VMRSGNWCMRUIAF-LODGOHBISA-N 0 0 550.652 3.951 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)c1C ZINC000102878495 555107746 /nfs/dbraw/zinc/10/77/46/555107746.db2.gz UWRIOSFSBNZYFE-BUANBSPESA-N 0 0 530.021 3.606 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)c1C ZINC000102878498 555107805 /nfs/dbraw/zinc/10/78/05/555107805.db2.gz UWRIOSFSBNZYFE-COUQNMRISA-N 0 0 530.021 3.606 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cc1OC ZINC000102879049 555108189 /nfs/dbraw/zinc/10/81/89/555108189.db2.gz NRIPXEPUXLFKPW-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cc1OC ZINC000102879052 555108106 /nfs/dbraw/zinc/10/81/06/555108106.db2.gz NRIPXEPUXLFKPW-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102879446 555108739 /nfs/dbraw/zinc/10/87/39/555108739.db2.gz FGOLBNPHDCGNKK-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102879450 555108804 /nfs/dbraw/zinc/10/88/04/555108804.db2.gz FGOLBNPHDCGNKK-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102880077 555108913 /nfs/dbraw/zinc/10/89/13/555108913.db2.gz LFMFDUAIARSFND-NKHPTUSLSA-N 0 0 506.599 3.553 50 30 KHEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102880081 555109043 /nfs/dbraw/zinc/10/90/43/555109043.db2.gz LFMFDUAIARSFND-ONLXDWTESA-N 0 0 506.599 3.553 50 30 KHEARN CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102880084 555109001 /nfs/dbraw/zinc/10/90/01/555109001.db2.gz LFMFDUAIARSFND-HUPAGYGUSA-N 0 0 506.599 3.553 50 30 KHEARN CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102880086 555109012 /nfs/dbraw/zinc/10/90/12/555109012.db2.gz LFMFDUAIARSFND-KXCNXCNDSA-N 0 0 506.599 3.553 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000102880483 555109251 /nfs/dbraw/zinc/10/92/51/555109251.db2.gz VIHHGGHMLZVAMI-CZNAVJSXSA-N 0 0 554.640 3.562 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN2CCOCC2)cc(OC)c1OC ZINC000102880486 555109359 /nfs/dbraw/zinc/10/93/59/555109359.db2.gz VIHHGGHMLZVAMI-CJJGVWJISA-N 0 0 554.640 3.562 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102880779 555109566 /nfs/dbraw/zinc/10/95/66/555109566.db2.gz AXOIMWUTNUXZKW-UVDRRRQGSA-N 0 0 536.585 3.534 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)c(OC)c2)c1C ZINC000102880783 555109491 /nfs/dbraw/zinc/10/94/91/555109491.db2.gz AXOIMWUTNUXZKW-ZZIWUOEGSA-N 0 0 536.585 3.534 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccccc2OC)cc1Cl ZINC000102881229 555109918 /nfs/dbraw/zinc/10/99/18/555109918.db2.gz WJPFARQMMLVNEZ-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccccc2OC)cc1Cl ZINC000102881230 555109800 /nfs/dbraw/zinc/10/98/00/555109800.db2.gz WJPFARQMMLVNEZ-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102881452 555110249 /nfs/dbraw/zinc/11/02/49/555110249.db2.gz LAIIDDNCAXMYKK-NPJIAGGLSA-N 0 0 506.555 3.594 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3cc4ccccc4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102881454 555110203 /nfs/dbraw/zinc/11/02/03/555110203.db2.gz LAIIDDNCAXMYKK-IUKMQXEJSA-N 0 0 506.555 3.594 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(Br)c2)c1C ZINC000102882504 555110783 /nfs/dbraw/zinc/11/07/83/555110783.db2.gz KTQLDRCVWSBBEP-PGVNHDJNSA-N 0 0 541.402 3.889 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(Br)c2)c1C ZINC000102882507 555110810 /nfs/dbraw/zinc/11/08/10/555110810.db2.gz KTQLDRCVWSBBEP-OBVHCKHUSA-N 0 0 541.402 3.889 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000102882839 555111069 /nfs/dbraw/zinc/11/10/69/555111069.db2.gz FRCHBTZTXLNFTN-NXLSWJSLSA-N 0 0 506.990 3.588 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000102882841 555111020 /nfs/dbraw/zinc/11/10/20/555111020.db2.gz FRCHBTZTXLNFTN-SBXHHDGASA-N 0 0 506.990 3.588 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3cccc(Br)c3)oc21 ZINC000102883565 555112119 /nfs/dbraw/zinc/11/21/19/555112119.db2.gz DKJJJOVFXWFULQ-MOBKVPTQSA-N 0 0 541.398 3.958 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3cccc(Br)c3)oc21 ZINC000102883567 555112017 /nfs/dbraw/zinc/11/20/17/555112017.db2.gz DKJJJOVFXWFULQ-HOGKFDNTSA-N 0 0 541.398 3.958 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102884246 555113183 /nfs/dbraw/zinc/11/31/83/555113183.db2.gz LRWUKDOIEZNQCY-HOGKFDNTSA-N 0 0 553.365 3.951 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2Cc2cccnc2)cc(Br)c1O ZINC000102884247 555113212 /nfs/dbraw/zinc/11/32/12/555113212.db2.gz LRWUKDOIEZNQCY-MOBKVPTQSA-N 0 0 553.365 3.951 50 30 KHEARN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000102884748 555114505 /nfs/dbraw/zinc/11/45/05/555114505.db2.gz RTECBGFGNVUJTG-UUALVTFQSA-N 0 0 536.625 3.781 50 30 KHEARN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)c1 ZINC000102884750 555114512 /nfs/dbraw/zinc/11/45/12/555114512.db2.gz RTECBGFGNVUJTG-ONQGDUAMSA-N 0 0 536.625 3.781 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102885494 555115510 /nfs/dbraw/zinc/11/55/10/555115510.db2.gz WGDURFPQVAYDTB-ZHHPLPSFSA-N 0 0 500.617 3.519 50 30 KHEARN COCCCN1C(=O)C(O)=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102885498 555115574 /nfs/dbraw/zinc/11/55/74/555115574.db2.gz WGDURFPQVAYDTB-AYWGPLOBSA-N 0 0 500.617 3.519 50 30 KHEARN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN1CCOCC1 ZINC000102888547 555121768 /nfs/dbraw/zinc/12/17/68/555121768.db2.gz PYUFMDCAOBMMCK-CZNAVJSXSA-N 0 0 508.615 3.874 50 30 KHEARN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCC(C)C)cc2)=C(O)C(=O)N1CCCN1CCOCC1 ZINC000102888548 555121935 /nfs/dbraw/zinc/12/19/35/555121935.db2.gz PYUFMDCAOBMMCK-CJJGVWJISA-N 0 0 508.615 3.874 50 30 KHEARN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102893036 555129798 /nfs/dbraw/zinc/12/97/98/555129798.db2.gz OREWEKAAGKHTBG-DFXXOVSGSA-N 0 0 566.651 3.789 50 30 KHEARN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102893038 555129854 /nfs/dbraw/zinc/12/98/54/555129854.db2.gz OREWEKAAGKHTBG-TXTDGAROSA-N 0 0 566.651 3.789 50 30 KHEARN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102894457 555132562 /nfs/dbraw/zinc/13/25/62/555132562.db2.gz WTSZOQCQBXTZGD-DFXXOVSGSA-N 0 0 566.651 3.789 50 30 KHEARN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN2CCOCC2)cc1OCC ZINC000102894460 555132601 /nfs/dbraw/zinc/13/26/01/555132601.db2.gz WTSZOQCQBXTZGD-TXTDGAROSA-N 0 0 566.651 3.789 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895430 555134419 /nfs/dbraw/zinc/13/44/19/555134419.db2.gz QKOGREZJLPCIKY-UHABRVIFSA-N 0 0 518.360 3.555 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895433 555134412 /nfs/dbraw/zinc/13/44/12/555134412.db2.gz QKOGREZJLPCIKY-RTDSZZKTSA-N 0 0 518.360 3.555 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895435 555134254 /nfs/dbraw/zinc/13/42/54/555134254.db2.gz QKOGREZJLPCIKY-XKACAACRSA-N 0 0 518.360 3.555 50 30 KHEARN COCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102895437 555134346 /nfs/dbraw/zinc/13/43/46/555134346.db2.gz QKOGREZJLPCIKY-MJIMAAISSA-N 0 0 518.360 3.555 50 30 KHEARN CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000102910705 555142797 /nfs/dbraw/zinc/14/27/97/555142797.db2.gz XXJAWURHMFMIHM-SFHVURJKSA-N 0 0 525.370 3.807 50 30 KHEARN CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C#N ZINC000102910708 555142675 /nfs/dbraw/zinc/14/26/75/555142675.db2.gz XXJAWURHMFMIHM-GOSISDBHSA-N 0 0 525.370 3.807 50 30 KHEARN C=CCN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)Nc2cccc3c(=O)[nH][nH]c(=O)c23)ccc1Cl ZINC000102918456 555144607 /nfs/dbraw/zinc/14/46/07/555144607.db2.gz YWFKUWXTJRSMCJ-UHFFFAOYSA-N 0 0 528.949 3.643 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000102925153 555149417 /nfs/dbraw/zinc/14/94/17/555149417.db2.gz NYOJQFIWRNRQDX-IUKMQXEJSA-N 0 0 566.607 3.611 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3cc(OC)c(OC)c(OC)c3)oc21 ZINC000102925157 555149395 /nfs/dbraw/zinc/14/93/95/555149395.db2.gz NYOJQFIWRNRQDX-NPJIAGGLSA-N 0 0 566.607 3.611 50 30 KHEARN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102925710 555149889 /nfs/dbraw/zinc/14/98/89/555149889.db2.gz MJLGYFPJCWQNOV-SBXHHDGASA-N 0 0 515.006 3.891 50 30 KHEARN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN2CCOCC2)cc1OCC ZINC000102925713 555149844 /nfs/dbraw/zinc/14/98/44/555149844.db2.gz MJLGYFPJCWQNOV-NXLSWJSLSA-N 0 0 515.006 3.891 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@H]1c1ccc(C(C)C)cc1 ZINC000102925857 555150178 /nfs/dbraw/zinc/15/01/78/555150178.db2.gz UFTNDUHEHPWYOK-DHJMZRGKSA-N 0 0 502.615 3.910 50 30 KHEARN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(C(C)C)cc1 ZINC000102925859 555150214 /nfs/dbraw/zinc/15/02/14/555150214.db2.gz UFTNDUHEHPWYOK-GAPOMRBKSA-N 0 0 502.615 3.910 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Br)c2)c1 ZINC000102926736 555151540 /nfs/dbraw/zinc/15/15/40/555151540.db2.gz DGIQNFCXZGWKMS-MOBKVPTQSA-N 0 0 515.404 3.602 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Br)c2)c1 ZINC000102926737 555151483 /nfs/dbraw/zinc/15/14/83/555151483.db2.gz DGIQNFCXZGWKMS-HOGKFDNTSA-N 0 0 515.404 3.602 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(C(=O)OC)cc2)c1C ZINC000102926852 555151466 /nfs/dbraw/zinc/15/14/66/555151466.db2.gz BBNMWYOHGCNDFL-BUANBSPESA-N 0 0 517.538 3.612 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(=O)OC)cc2)c1C ZINC000102926853 555151454 /nfs/dbraw/zinc/15/14/54/555151454.db2.gz BBNMWYOHGCNDFL-COUQNMRISA-N 0 0 517.538 3.612 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927110 555151740 /nfs/dbraw/zinc/15/17/40/555151740.db2.gz IUWYKFJYTWUPKQ-VDLDRNGKSA-N 0 0 520.626 3.943 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927113 555151680 /nfs/dbraw/zinc/15/16/80/555151680.db2.gz IUWYKFJYTWUPKQ-PMABHTPKSA-N 0 0 520.626 3.943 50 30 KHEARN CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927117 555151646 /nfs/dbraw/zinc/15/16/46/555151646.db2.gz IUWYKFJYTWUPKQ-MNEKTFPPSA-N 0 0 520.626 3.943 50 30 KHEARN CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102927122 555151977 /nfs/dbraw/zinc/15/19/77/555151977.db2.gz IUWYKFJYTWUPKQ-HGZLRSGXSA-N 0 0 520.626 3.943 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(OC)cc2)c1C ZINC000102927277 555151900 /nfs/dbraw/zinc/15/19/00/555151900.db2.gz GJFURLBVPPEKFT-BUANBSPESA-N 0 0 506.559 3.525 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(OC)cc2)c1C ZINC000102927282 555151960 /nfs/dbraw/zinc/15/19/60/555151960.db2.gz GJFURLBVPPEKFT-COUQNMRISA-N 0 0 506.559 3.525 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc(OC)c1OC ZINC000102927657 555152410 /nfs/dbraw/zinc/15/24/10/555152410.db2.gz MAWXKGIGVNFYGJ-IIHDFJPDSA-N 0 0 533.581 3.744 50 30 KHEARN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc(OC)c1OC ZINC000102927660 555152370 /nfs/dbraw/zinc/15/23/70/555152370.db2.gz MAWXKGIGVNFYGJ-MWCANZRFSA-N 0 0 533.581 3.744 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc(OC)c1OC ZINC000102927663 555152448 /nfs/dbraw/zinc/15/24/48/555152448.db2.gz MAWXKGIGVNFYGJ-NEMSTITPSA-N 0 0 533.581 3.744 50 30 KHEARN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCn2ccnc2)cc(OC)c1OC ZINC000102927664 555152403 /nfs/dbraw/zinc/15/24/03/555152403.db2.gz MAWXKGIGVNFYGJ-OTQMSCLFSA-N 0 0 533.581 3.744 50 30 KHEARN O=C(COc1ccc(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)cc1[N+](=O)[O-])OCC(F)(F)F ZINC000102927900 555152635 /nfs/dbraw/zinc/15/26/35/555152635.db2.gz IEMSPCFITBXCPK-UHFFFAOYSA-N 0 0 511.246 3.643 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000102927964 555152904 /nfs/dbraw/zinc/15/29/04/555152904.db2.gz BYDGMONZBDYZRC-AYWGPLOBSA-N 0 0 529.431 3.910 50 30 KHEARN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000102927967 555152822 /nfs/dbraw/zinc/15/28/22/555152822.db2.gz BYDGMONZBDYZRC-ZHHPLPSFSA-N 0 0 529.431 3.910 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]2[C@@H](c2ccccn2)N1 ZINC000102928264 555153505 /nfs/dbraw/zinc/15/35/05/555153505.db2.gz FYOYVFZYPSNUBX-SFHLNBCPSA-N 0 0 519.435 3.764 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2[C@@H](c2ccccn2)N1 ZINC000102928266 555153481 /nfs/dbraw/zinc/15/34/81/555153481.db2.gz FYOYVFZYPSNUBX-QKNQBKEWSA-N 0 0 519.435 3.764 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@H]2[C@@H](c2ccccn2)N1 ZINC000102928267 555153426 /nfs/dbraw/zinc/15/34/26/555153426.db2.gz FYOYVFZYPSNUBX-SVFBPWRDSA-N 0 0 519.435 3.764 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(c3ccc(OC(F)(F)F)cc3)C(=O)[C@@H]2[C@@H](c2ccccn2)N1 ZINC000102928268 555153452 /nfs/dbraw/zinc/15/34/52/555153452.db2.gz FYOYVFZYPSNUBX-IRFCIJBXSA-N 0 0 519.435 3.764 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@H]3c3ccc(Br)cc3)oc21 ZINC000102928678 555154459 /nfs/dbraw/zinc/15/44/59/555154459.db2.gz IYQVKWHLTONWTH-MOBKVPTQSA-N 0 0 541.398 3.958 50 30 KHEARN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCN4CCOCC4)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000102928680 555154463 /nfs/dbraw/zinc/15/44/63/555154463.db2.gz IYQVKWHLTONWTH-HOGKFDNTSA-N 0 0 541.398 3.958 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000102928872 555154494 /nfs/dbraw/zinc/15/44/94/555154494.db2.gz MPEQUXAZDAIVLY-IUKMQXEJSA-N 0 0 521.017 3.978 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)cnn1-c1ccccc1 ZINC000102928874 555154466 /nfs/dbraw/zinc/15/44/66/555154466.db2.gz MPEQUXAZDAIVLY-NPJIAGGLSA-N 0 0 521.017 3.978 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(OC)c2OC)cc1 ZINC000102928886 555154684 /nfs/dbraw/zinc/15/46/84/555154684.db2.gz NCWRNKQBSUXETA-IUKMQXEJSA-N 0 0 524.614 3.637 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(OC)c2OC)cc1 ZINC000102928889 555154748 /nfs/dbraw/zinc/15/47/48/555154748.db2.gz NCWRNKQBSUXETA-NPJIAGGLSA-N 0 0 524.614 3.637 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102929418 555155050 /nfs/dbraw/zinc/15/50/50/555155050.db2.gz WUTDYSLEMDHCAW-ZHHPLPSFSA-N 0 0 500.979 3.501 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102929420 555155020 /nfs/dbraw/zinc/15/50/20/555155020.db2.gz WUTDYSLEMDHCAW-AYWGPLOBSA-N 0 0 500.979 3.501 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@H]2c2ccc(Br)cc2)c1C ZINC000102929567 555155483 /nfs/dbraw/zinc/15/54/83/555155483.db2.gz JLWWOKAQUDOWBU-PGVNHDJNSA-N 0 0 541.402 3.889 50 30 KHEARN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCn3ccnc3)[C@@H]2c2ccc(Br)cc2)c1C ZINC000102929570 555155559 /nfs/dbraw/zinc/15/55/59/555155559.db2.gz JLWWOKAQUDOWBU-OBVHCKHUSA-N 0 0 541.402 3.889 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000102930227 555156767 /nfs/dbraw/zinc/15/67/67/555156767.db2.gz DVVLOAFYCHSGKH-IUKMQXEJSA-N 0 0 521.017 3.978 50 30 KHEARN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Cl)cc2)cnn1-c1ccccc1 ZINC000102930229 555156720 /nfs/dbraw/zinc/15/67/20/555156720.db2.gz DVVLOAFYCHSGKH-NPJIAGGLSA-N 0 0 521.017 3.978 50 30 KHEARN CCCCNS(=O)(=O)c1ccc(NC(=O)COc2ccc(C#N)cc2)c(NC(=O)COc2ccc(C#N)cc2)c1 ZINC000102930662 555157401 /nfs/dbraw/zinc/15/74/01/555157401.db2.gz CWGKDQYRTWMQCL-UHFFFAOYSA-N 0 0 561.620 3.543 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc(Cl)c2)c1C ZINC000102930698 555157673 /nfs/dbraw/zinc/15/76/73/555157673.db2.gz KLOXJEPCPFNXET-BUANBSPESA-N 0 0 530.021 3.606 50 30 KHEARN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc(Cl)c2)c1C ZINC000102930700 555157604 /nfs/dbraw/zinc/15/76/04/555157604.db2.gz KLOXJEPCPFNXET-COUQNMRISA-N 0 0 530.021 3.606 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102931179 555158614 /nfs/dbraw/zinc/15/86/14/555158614.db2.gz HRRHUVAXCPENJA-NXLSWJSLSA-N 0 0 509.559 3.528 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000102931182 555158621 /nfs/dbraw/zinc/15/86/21/555158621.db2.gz HRRHUVAXCPENJA-SBXHHDGASA-N 0 0 509.559 3.528 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102931566 555159075 /nfs/dbraw/zinc/15/90/75/555159075.db2.gz GCJLSBCZYJGYOI-CZNAVJSXSA-N 0 0 524.614 3.637 50 30 KHEARN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000102931570 555159229 /nfs/dbraw/zinc/15/92/29/555159229.db2.gz GCJLSBCZYJGYOI-CJJGVWJISA-N 0 0 524.614 3.637 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102932178 555159725 /nfs/dbraw/zinc/15/97/25/555159725.db2.gz LDQJFOAKGNOMSZ-CZNAVJSXSA-N 0 0 524.614 3.637 50 30 KHEARN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 ZINC000102932180 555159711 /nfs/dbraw/zinc/15/97/11/555159711.db2.gz LDQJFOAKGNOMSZ-CJJGVWJISA-N 0 0 524.614 3.637 50 30 KHEARN COc1ccc(OC)c([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102932206 555159709 /nfs/dbraw/zinc/15/97/09/555159709.db2.gz MNCHASIULYUYJO-NPJIAGGLSA-N 0 0 536.581 3.603 50 30 KHEARN COc1ccc(OC)c([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C(O)C(=O)N2CCCN2CCOCC2)c1 ZINC000102932210 555159731 /nfs/dbraw/zinc/15/97/31/555159731.db2.gz MNCHASIULYUYJO-IUKMQXEJSA-N 0 0 536.581 3.603 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(Br)cc2)c1 ZINC000102932411 555159976 /nfs/dbraw/zinc/15/99/76/555159976.db2.gz ZNLHCJVFRZACFT-MOBKVPTQSA-N 0 0 515.404 3.602 50 30 KHEARN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN3CCOCC3)[C@@H]2c2ccc(Br)cc2)c1 ZINC000102932413 555159941 /nfs/dbraw/zinc/15/99/41/555159941.db2.gz ZNLHCJVFRZACFT-HOGKFDNTSA-N 0 0 515.404 3.602 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NCCC)CC1 ZINC000102938950 555167673 /nfs/dbraw/zinc/16/76/73/555167673.db2.gz QQLSMNDJXXQCDU-QHCPKHFHSA-N 0 0 551.610 3.902 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(C(F)(F)F)cc2)C(C(=O)OCC)=C1CN1CCCN(C(=O)NCCC)CC1 ZINC000102938953 555167603 /nfs/dbraw/zinc/16/76/03/555167603.db2.gz QQLSMNDJXXQCDU-HSZRJFAPSA-N 0 0 551.610 3.902 50 30 KHEARN N#CC(=C(NS(=O)(=O)c1cccs1)c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000102941010 555169887 /nfs/dbraw/zinc/16/98/87/555169887.db2.gz HMXMSJCUXDFTFY-HUXMSJMZSA-N 0 0 518.624 3.651 50 30 KHEARN N#CC(=C(NS(=O)(=O)c1cccs1)c1ccccc1)c1nnc(N2CCOCC2)n1-c1ccccc1 ZINC000102941014 555169902 /nfs/dbraw/zinc/16/99/02/555169902.db2.gz HMXMSJCUXDFTFY-GCRDSSSXSA-N 0 0 518.624 3.651 50 30 KHEARN CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)NCCc2ccccc2)n(-c2ccccc2)c1=O ZINC000102974330 555184099 /nfs/dbraw/zinc/18/40/99/555184099.db2.gz CSXYRGXALRAJHI-BYHPHFLXSA-N 0 0 574.500 3.922 50 30 KHEARN O=C1Nc2ccc(Br)cc2C1=NNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] ZINC000102983536 555189525 /nfs/dbraw/zinc/18/95/25/555189525.db2.gz JPFDXBOHKKDJNS-UHFFFAOYSA-N 0 0 516.333 3.926 50 30 KHEARN CCCCCCCC(=O)N1CCC(N(Cc2cccc(F)c2)C(=O)CN(CCOC)S(=O)(=O)CC)CC1 ZINC000102991946 555192700 /nfs/dbraw/zinc/19/27/00/555192700.db2.gz AMTKFLYOJYCEGC-UHFFFAOYSA-N 0 0 541.730 3.804 50 30 KHEARN CCCCCCCC(=O)N1CCN(c2nc(CN3CCN(c4ccc(C)c(C)c4)CC3)cc(=O)[nH]2)CC1 ZINC000102992249 555192935 /nfs/dbraw/zinc/19/29/35/555192935.db2.gz GOCNZOWKQYULMB-UHFFFAOYSA-N 0 0 508.711 3.718 50 30 KHEARN CCCCCCCCC(=O)N1CCN(c2nc(CN3CC[NH+](CCc4ccccc4)CC3)cc(=O)[nH]2)CC1 ZINC000102996090 555195431 /nfs/dbraw/zinc/19/54/31/555195431.db2.gz VUYOVBPVMXXYQU-UHFFFAOYSA-N 0 0 522.738 3.529 50 30 KHEARN N#Cc1ccccc1OCC(=O)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000102996350 555195991 /nfs/dbraw/zinc/19/59/91/555195991.db2.gz FAEQPDYPFDKBNK-UHFFFAOYSA-N 0 0 527.002 3.867 50 30 KHEARN N#Cc1ccc(OCC(=O)Nc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N2CCOCC2)cc1 ZINC000102996354 555196035 /nfs/dbraw/zinc/19/60/35/555196035.db2.gz FZBJDSQXOTYRDL-UHFFFAOYSA-N 0 0 527.002 3.867 50 30 KHEARN CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)c2)cc1 ZINC000102997115 555196736 /nfs/dbraw/zinc/19/67/36/555196736.db2.gz SMOYQJCCIACDHW-UHFFFAOYSA-N 0 0 547.662 3.952 50 30 KHEARN CCCCCCCCCC(=O)N1CCN(c2nc(CN3CCN(c4ccccc4C#N)CC3)cc(=O)[nH]2)CC1 ZINC000102997995 555197208 /nfs/dbraw/zinc/19/72/08/555197208.db2.gz CEHYREUJVYLUCP-UHFFFAOYSA-N 0 0 533.721 3.753 50 30 KHEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)N3CCOCC3)ccc2OC)CC1 ZINC000102998961 555198239 /nfs/dbraw/zinc/19/82/39/555198239.db2.gz XUQLKAUFTHLPSR-UHFFFAOYSA-N 0 0 509.713 3.896 50 30 KHEARN CCCCCCCCCCC(=O)N1CCN(c2cc(S(=O)(=O)NCCCN3CCOCC3)ccc2OC)CC1 ZINC000102998975 555198447 /nfs/dbraw/zinc/19/84/47/555198447.db2.gz SCJYQMCPHGRUBK-UHFFFAOYSA-N 0 0 566.809 3.875 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000103009682 555205778 /nfs/dbraw/zinc/20/57/78/555205778.db2.gz PNRZUYMQKYVLTE-QPTUXGOLSA-N 0 0 527.552 3.968 50 30 KHEARN COC(=O)C1=C(N)N(c2cccc(F)c2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000103009687 555205751 /nfs/dbraw/zinc/20/57/51/555205751.db2.gz PNRZUYMQKYVLTE-GMKZXUHWSA-N 0 0 527.552 3.968 50 30 KHEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000103012384 555207183 /nfs/dbraw/zinc/20/71/83/555207183.db2.gz PBJHFGIUVIGZED-QPTUXGOLSA-N 0 0 527.552 3.968 50 30 KHEARN COC(=O)C1=C(N)N(c2ccc(F)cc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1cccnc1 ZINC000103012392 555207274 /nfs/dbraw/zinc/20/72/74/555207274.db2.gz PBJHFGIUVIGZED-GMKZXUHWSA-N 0 0 527.552 3.968 50 30 KHEARN COc1ccc(CC/N=C2\SCCN2C(=O)c2ccc3c(c2)S(=O)(=O)c2ccccc2C3=O)cc1 ZINC000103019280 555210982 /nfs/dbraw/zinc/21/09/82/555210982.db2.gz IPNBGWXPSSUEJC-RQZHXJHFSA-N 0 0 506.605 3.860 50 30 KHEARN CSc1ccc(C(=O)c2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccccc3C#N)CC2)cc1[N+](=O)[O-] ZINC000103041299 555225305 /nfs/dbraw/zinc/22/53/05/555225305.db2.gz ZQFCFQAIZWMICY-UHFFFAOYSA-N 0 0 550.618 3.566 50 30 KHEARN CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@H](c3ccccn3)[C@@H]2C1=O ZINC000103047829 555229545 /nfs/dbraw/zinc/22/95/45/555229545.db2.gz TUMAUVZWNBAIHN-WSTZPKSXSA-N 0 0 567.911 3.779 50 30 KHEARN CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@H](c3ccccn3)[C@H]2C1=O ZINC000103047832 555229489 /nfs/dbraw/zinc/22/94/89/555229489.db2.gz TUMAUVZWNBAIHN-CMKODMSKSA-N 0 0 567.911 3.779 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@@H](c2ccccn2)N1 ZINC000103047851 555229509 /nfs/dbraw/zinc/22/95/09/555229509.db2.gz FVOXFTHRAPWGQI-SFHLNBCPSA-N 0 0 581.938 3.840 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@@H](c2ccccn2)N1 ZINC000103047853 555229458 /nfs/dbraw/zinc/22/94/58/555229458.db2.gz FVOXFTHRAPWGQI-QKNQBKEWSA-N 0 0 581.938 3.840 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@H]2[C@@H](c2ccccn2)N1 ZINC000103047855 555229447 /nfs/dbraw/zinc/22/94/47/555229447.db2.gz FVOXFTHRAPWGQI-SVFBPWRDSA-N 0 0 581.938 3.840 50 30 KHEARN O=C1c2ccccc2C(=O)C1C1=C2C(=O)N(CCNc3ncc(C(F)(F)F)cc3Cl)C(=O)[C@@H]2[C@@H](c2ccccn2)N1 ZINC000103047857 555229493 /nfs/dbraw/zinc/22/94/93/555229493.db2.gz FVOXFTHRAPWGQI-IRFCIJBXSA-N 0 0 581.938 3.840 50 30 KHEARN N#Cc1cccc(NC(=O)COC(=O)c2cc(S(=O)(=O)N3CCN(c4ccccc4)CC3)ccc2Cl)c1 ZINC000103051855 555234156 /nfs/dbraw/zinc/23/41/56/555234156.db2.gz ICTQSMYYTYKTQU-UHFFFAOYSA-N 0 0 539.013 3.518 50 30 KHEARN COCCCn1cc(C(=O)c2cc(OC)ccc2OCC(=O)Nc2ccc(OC)c(Cl)c2)cc(C#N)c1=O ZINC000103051974 555234101 /nfs/dbraw/zinc/23/41/01/555234101.db2.gz YXDVAIFNLOGFBB-UHFFFAOYSA-N 0 0 539.972 3.676 50 30 KHEARN Cc1c(NC(=O)COC(=O)c2cccc(N3CC(=O)C(c4nc5ccccc5s4)=C3N)c2)c(=O)n(-c2ccccc2)n1C ZINC000103055913 555237244 /nfs/dbraw/zinc/23/72/44/555237244.db2.gz LCIDLQUJNCHKIW-UHFFFAOYSA-N 0 0 594.653 3.606 50 30 KHEARN NC1=C(c2nc3ccccc3s2)C(=O)CN1c1ccc(C(=O)OCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 ZINC000103057831 555238574 /nfs/dbraw/zinc/23/85/74/555238574.db2.gz PFHYIKMWJCTGSI-UHFFFAOYSA-N 0 0 529.534 3.717 50 30 KHEARN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)OCC(=O)/C=C2/N(C)c3ccccc3C2(C)C)c1 ZINC000103060538 555241821 /nfs/dbraw/zinc/24/18/21/555241821.db2.gz OAWAJIKMQIXTAS-PCLIKHOPSA-N 0 0 511.644 3.575 50 30 KHEARN C=CCN(CC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1)S(=O)(=O)c1ccccc1C(F)(F)F ZINC000103063141 555244020 /nfs/dbraw/zinc/24/40/20/555244020.db2.gz GCYMEBNNHCPWDB-UHFFFAOYSA-N 0 0 545.605 3.695 50 30 KHEARN C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103066879 555247169 /nfs/dbraw/zinc/24/71/69/555247169.db2.gz ASOYFCIWAJBVGH-FQEVSTJZSA-N 0 0 571.725 3.746 50 30 KHEARN C=CCn1c(COc2ccc(CC)cc2)nnc1S[C@H](C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103066881 555247182 /nfs/dbraw/zinc/24/71/82/555247182.db2.gz ASOYFCIWAJBVGH-HXUWFJFHSA-N 0 0 571.725 3.746 50 30 KHEARN C=CCn1c(SCC(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2sc(C)c(C)c2c1=O ZINC000103069379 555249922 /nfs/dbraw/zinc/24/99/22/555249922.db2.gz CRDVYSYFTBIRBJ-UHFFFAOYSA-N 0 0 580.736 3.523 50 30 KHEARN CCOC(=O)c1ccc(/N=C2/NC(=O)/C(=C\c3cc(Br)c(OCC(N)=O)c(OCC)c3)S2)cc1 ZINC000103070677 555251295 /nfs/dbraw/zinc/25/12/95/555251295.db2.gz IXUYUXHVNNLJBE-WOJGMQOQSA-N 0 0 548.415 3.780 50 30 KHEARN CCn1cc(C(=O)OCC(=O)N(CCC#N)c2cccc(Cl)c2)c(=O)c2cc(F)c(N3CCN(C(C)=O)CC3)cc21 ZINC000103071459 555251856 /nfs/dbraw/zinc/25/18/56/555251856.db2.gz FTKSGIUHPRTOJJ-UHFFFAOYSA-N 0 0 582.032 3.586 50 30 KHEARN Cc1cc(C)cc(COc2coc(CN3CCN(S(=O)(=O)c4ccc(C#N)cc4Cl)CC3)cc2=O)c1 ZINC000103078853 555257536 /nfs/dbraw/zinc/25/75/36/555257536.db2.gz LKAQDGUCHKKBNL-UHFFFAOYSA-N 0 0 528.030 3.867 50 30 KHEARN N#Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(c4ccc(F)cc4)CC3)c2)c1 ZINC000103080068 555258908 /nfs/dbraw/zinc/25/89/08/555258908.db2.gz DMGUHCNGONYUCF-UHFFFAOYSA-N 0 0 557.003 3.657 50 30 KHEARN N#Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1 ZINC000103080072 555258900 /nfs/dbraw/zinc/25/89/00/555258900.db2.gz ZLMWGQJYYOLELS-UHFFFAOYSA-N 0 0 557.003 3.657 50 30 KHEARN C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)OCc2cc(=O)n3c(C)csc3n2)c1 ZINC000103080143 555258829 /nfs/dbraw/zinc/25/88/29/555258829.db2.gz JDIKHQIADQHPHF-UHFFFAOYSA-N 0 0 525.608 3.811 50 30 KHEARN C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(C(N)=O)cc2)c1 ZINC000103080514 555259314 /nfs/dbraw/zinc/25/93/14/555259314.db2.gz XXZPWSNTXLTVAI-UHFFFAOYSA-N 0 0 558.012 3.624 50 30 KHEARN C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC(=O)NC(C)C)c1 ZINC000103080567 555259311 /nfs/dbraw/zinc/25/93/11/555259311.db2.gz CFRYNUBDMXIWJY-UHFFFAOYSA-N 0 0 528.414 3.766 50 30 KHEARN N#Cc1ccc(NC(=O)N2CCC3(CC2)C(=O)N(CC(=O)NCc2ccc(F)cc2)CN3c2ccccc2)cc1 ZINC000103092094 555271204 /nfs/dbraw/zinc/27/12/04/555271204.db2.gz JJZXBMVXSIAIGG-UHFFFAOYSA-N 0 0 540.599 3.687 50 30 KHEARN CC1CCN(c2ccc(C(=O)OCC(=O)Nc3cccc(S(=O)(=O)N=C4CCCCCN4)c3)cc2[N+](=O)[O-])CC1 ZINC000103093395 555272256 /nfs/dbraw/zinc/27/22/56/555272256.db2.gz ZSKSOZZSUSIVHI-UHFFFAOYSA-N 0 0 571.656 3.877 50 30 KHEARN CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C#N)c1 ZINC000103097948 555275133 /nfs/dbraw/zinc/27/51/33/555275133.db2.gz GNYZDVZGBYUOLD-UHFFFAOYSA-N 0 0 528.930 3.740 50 30 KHEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000103098723 555275935 /nfs/dbraw/zinc/27/59/35/555275935.db2.gz YJCALQTZHULNOY-UHFFFAOYSA-N 0 0 537.619 3.526 50 30 KHEARN N#Cc1ccccc1Sc1ccccc1C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000103098727 555275912 /nfs/dbraw/zinc/27/59/12/555275912.db2.gz LAZMUWYDAVQIRE-UHFFFAOYSA-N 0 0 537.619 3.526 50 30 KHEARN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COC(=O)c1ccccc1Sc1ccccc1C#N ZINC000103098753 555275973 /nfs/dbraw/zinc/27/59/73/555275973.db2.gz ARIFUJZMCZFNKL-UHFFFAOYSA-N 0 0 567.645 3.534 50 30 KHEARN N#CCCN(C(=O)COC(=O)c1ccc(C(=O)OCC(=O)N(CCC#N)c2ccccc2)cc1)c1ccccc1 ZINC000103107971 555283887 /nfs/dbraw/zinc/28/38/87/555283887.db2.gz DZSHTGGCAUKCAO-UHFFFAOYSA-N 0 0 538.560 3.894 50 30 KHEARN COC(=O)c1sccc1S(=O)(=O)N1CCN(C[C@@H](OCc2ccc(C#N)cc2)c2cccc(OC)c2)CC1 ZINC000103112682 555285909 /nfs/dbraw/zinc/28/59/09/555285909.db2.gz LFMGEEWJRUMEJJ-XMMPIXPASA-N 0 0 555.678 3.679 50 30 KHEARN COC(=O)c1sccc1S(=O)(=O)N1CCN(C[C@H](OCc2ccc(C#N)cc2)c2cccc(OC)c2)CC1 ZINC000103112688 555285850 /nfs/dbraw/zinc/28/58/50/555285850.db2.gz LFMGEEWJRUMEJJ-DEOSSOPVSA-N 0 0 555.678 3.679 50 30 KHEARN C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000103118813 555289319 /nfs/dbraw/zinc/28/93/19/555289319.db2.gz ASZNKQREWBEHHW-HOCLYGCPSA-N 0 0 542.731 3.687 50 30 KHEARN C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cc2c(s1)CC[C@H](C(C)(C)C)C2 ZINC000103118815 555289346 /nfs/dbraw/zinc/28/93/46/555289346.db2.gz ASZNKQREWBEHHW-ZBFHGGJFSA-N 0 0 542.731 3.687 50 30 KHEARN C=CCn1c(S[C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000103118818 555289299 /nfs/dbraw/zinc/28/92/99/555289299.db2.gz ASZNKQREWBEHHW-GOEBONIOSA-N 0 0 542.731 3.687 50 30 KHEARN C=CCn1c(S[C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)nnc1-c1cc2c(s1)CC[C@@H](C(C)(C)C)C2 ZINC000103118822 555289296 /nfs/dbraw/zinc/28/92/96/555289296.db2.gz ASZNKQREWBEHHW-GDBMZVCRSA-N 0 0 542.731 3.687 50 30 KHEARN N#CCn1c(CSc2nc3cc(-c4ccccc4)sc3c(=O)n2CCN2CCOCC2)nc2ccccc2c1=O ZINC000103119853 555289713 /nfs/dbraw/zinc/28/97/13/555289713.db2.gz LHACIDKRDUIUKN-UHFFFAOYSA-N 0 0 570.700 3.983 50 30 KHEARN CCCCCCCCC(=O)N1CCN(c2nc(CN3CCN(c4ccccc4C)CC3)cc(=O)[nH]2)CC1 ZINC000103123620 555291839 /nfs/dbraw/zinc/29/18/39/555291839.db2.gz FHBLLKDJHGWBBN-UHFFFAOYSA-N 0 0 508.711 3.800 50 30 KHEARN CCOC(=O)[C@@](NC(=O)Nc1ccc([C@](O)(C(=O)OCC)C(F)(F)F)cc1C)(OCC(F)(F)F)C(F)(F)F ZINC000103129894 555298457 /nfs/dbraw/zinc/29/84/57/555298457.db2.gz IJSUWNFKRVZSTL-ZWKOTPCHSA-N 0 0 572.377 3.830 50 30 KHEARN CCOC(=O)[C@](O)(c1ccc(NC(=O)N[C@@](OCC(F)(F)F)(C(=O)OCC)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000103129897 555298534 /nfs/dbraw/zinc/29/85/34/555298534.db2.gz IJSUWNFKRVZSTL-QZTJIDSGSA-N 0 0 572.377 3.830 50 30 KHEARN CCOC(=O)[C@@](O)(c1ccc(NC(=O)N[C@](OCC(F)(F)F)(C(=O)OCC)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000103129899 555298448 /nfs/dbraw/zinc/29/84/48/555298448.db2.gz IJSUWNFKRVZSTL-ROUUACIJSA-N 0 0 572.377 3.830 50 30 KHEARN CCOC(=O)[C@](O)(c1ccc(NC(=O)N[C@](OCC(F)(F)F)(C(=O)OCC)C(F)(F)F)c(C)c1)C(F)(F)F ZINC000103129902 555298524 /nfs/dbraw/zinc/29/85/24/555298524.db2.gz IJSUWNFKRVZSTL-MSOLQXFVSA-N 0 0 572.377 3.830 50 30 KHEARN C=CCn1c(SCC(=O)Nc2ccc(Cl)c(S(=O)(=O)N3CCOCC3)c2)nnc1-c1ccccc1 ZINC000103134538 555303966 /nfs/dbraw/zinc/30/39/66/555303966.db2.gz PIVPQEFULHIMBT-UHFFFAOYSA-N 0 0 534.063 3.536 50 30 KHEARN CC1CCN(S(=O)(=O)c2cc(C(=O)OCC(=O)Nc3sccc3C#N)ccc2Br)CC1 ZINC000103136442 555306585 /nfs/dbraw/zinc/30/65/85/555306585.db2.gz FHQGIWAEUKTYQA-UHFFFAOYSA-N 0 0 526.434 3.598 50 30 KHEARN C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1 ZINC000103137369 555307425 /nfs/dbraw/zinc/30/74/25/555307425.db2.gz DCGQSVJKFNPPDX-UHFFFAOYSA-N 0 0 535.622 3.700 50 30 KHEARN CCOC(=O)CCc1c(C)nc2ncnn2c1N1CCN(S(=O)(=O)c2ccc(Oc3cccc(Cl)c3C#N)cc2)CC1 ZINC000103138622 555308464 /nfs/dbraw/zinc/30/84/64/555308464.db2.gz ONRJDXWDBUEDLH-UHFFFAOYSA-N 0 0 610.096 3.757 50 30 KHEARN CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C[C@@H]2CCCO2)C1=O ZINC000103186025 555331414 /nfs/dbraw/zinc/33/14/14/555331414.db2.gz MPENJNLEKMJDGS-KRWDZBQOSA-O 0 0 528.416 3.959 50 30 KHEARN CCc1[n-]n(-c2ccc(Cl)c(Cl)c2)c(=O)c1C1=C([n+]2cccc(C)c2)C(=O)N(C[C@H]2CCCO2)C1=O ZINC000103186028 555331401 /nfs/dbraw/zinc/33/14/01/555331401.db2.gz MPENJNLEKMJDGS-QGZVFWFLSA-O 0 0 528.416 3.959 50 30 KHEARN Cn1c2nc(N=NC=C(Br)Cc3ccccc3)n(Cc3cccc(Br)c3)c2c(=O)n(C)c1=O ZINC000103227837 555341782 /nfs/dbraw/zinc/34/17/82/555341782.db2.gz JRIIKQZODICBAH-VMYJIDIOSA-N 0 0 572.261 4.078 50 30 KHEARN CCOc1cc(C=NNc2ccc([N+](=O)[O-])cc2)c(Br)c(Br)c1OCC(N)=O ZINC000103254087 555345145 /nfs/dbraw/zinc/34/51/45/555345145.db2.gz NZULNNQRGMMBOY-ODCIPOBUSA-N 0 0 516.146 3.829 50 30 KHEARN N#Cc1ccccc1S(=O)(=O)N1CCN(c2nc3ccccc3c3nnc(-c4ccccc4Cl)n32)CC1 ZINC000103307210 555356726 /nfs/dbraw/zinc/35/67/26/555356726.db2.gz DVKWBYSBAIVREJ-UHFFFAOYSA-N 0 0 530.013 3.980 50 30 KHEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)C(=S)Nc1ccc(OC)cc1 ZINC000103346505 555362279 /nfs/dbraw/zinc/36/22/79/555362279.db2.gz LNMLMEGFIGAAQH-UHFFFAOYSA-N 0 0 544.699 3.906 50 30 KHEARN C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(OC)c2)n1CCOC)S(=O)(=O)c1ccc(Cl)cc1 ZINC000103394833 555379621 /nfs/dbraw/zinc/37/96/21/555379621.db2.gz BIUKQANFUIESKK-UHFFFAOYSA-N 0 0 554.090 3.542 50 30 KHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(S(N)(=O)=O)cc1 ZINC000103459524 555420733 /nfs/dbraw/zinc/42/07/33/555420733.db2.gz MPUWPIKNTIOOEH-UAFKWENTSA-N 0 0 501.417 3.621 50 30 KHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)S/C1=N/c1ccc(S(N)(=O)=O)cc1 ZINC000103459527 555420777 /nfs/dbraw/zinc/42/07/77/555420777.db2.gz MPUWPIKNTIOOEH-KGWRKDBXSA-N 0 0 501.417 3.621 50 30 KHEARN N#C/C(C(=O)NCCc1ccccc1)=c1\s/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c(=O)n1-c1ccccc1 ZINC000103559532 555448325 /nfs/dbraw/zinc/44/83/25/555448325.db2.gz WKOQCKKNNCMRTL-LAJNEPIXSA-N 0 0 562.607 3.929 50 30 KHEARN NS(=O)(=O)c1ccc(/N=C2\NC(=O)/C(=C/c3cc(Br)ccc3OCC(=O)NCCc3ccccc3)S2)cc1 ZINC000103646777 555460806 /nfs/dbraw/zinc/46/08/06/555460806.db2.gz BGWUPRFPGZTZAJ-HAHDFKILSA-N 0 0 615.531 3.726 50 30 KHEARN CCOC(=O)[C@@H]1CCCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000103655682 555461378 /nfs/dbraw/zinc/46/13/78/555461378.db2.gz LTDBZJNJSABIOU-XXQDRHBBSA-N 0 0 547.427 3.977 50 30 KHEARN CCOC(=O)[C@H]1CCCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)C1 ZINC000103655686 555461296 /nfs/dbraw/zinc/46/12/96/555461296.db2.gz LTDBZJNJSABIOU-FCQRAFMMSA-N 0 0 547.427 3.977 50 30 KHEARN CCOC(=O)C1CCN(C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)CC1 ZINC000103670807 555462021 /nfs/dbraw/zinc/46/20/21/555462021.db2.gz XYZNLPKFSZFZID-QOMWVZHYSA-N 0 0 547.427 3.977 50 30 KHEARN CCOC(=O)NC(=O)C(=CNc1ccc(CCc2ccc(NC=C(C(C)=O)C(=O)NC(=O)OCC)cc2)cc1)C(C)=O ZINC000103839921 571362280 /nfs/dbraw/zinc/36/22/80/571362280.db2.gz MSLULGYFEIOACB-WTHRLWDASA-N 0 0 578.622 3.787 50 30 KHEARN CCOC(=O)NC(=O)C(=CNc1ccc(CCc2ccc(NC=C(C(C)=O)C(=O)NC(=O)OCC)cc2)cc1)C(C)=O ZINC000103839923 571362308 /nfs/dbraw/zinc/36/23/08/571362308.db2.gz MSLULGYFEIOACB-RPCRKUJJSA-N 0 0 578.622 3.787 50 30 KHEARN CNNC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)=C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] ZINC000104162128 571375759 /nfs/dbraw/zinc/37/57/59/571375759.db2.gz ZXGMRQJXRKBTQE-JXPPMIMOSA-N 0 0 511.804 3.742 50 30 KHEARN CNNC(C(=O)Nc1cc(C(F)(F)F)ccc1Cl)=C(c1cnc2ccc([N+](=O)[O-])cc2n1)[N+](=O)[O-] ZINC000104162131 571375827 /nfs/dbraw/zinc/37/58/27/571375827.db2.gz ZXGMRQJXRKBTQE-WUBIRZFMSA-N 0 0 511.804 3.742 50 30 KHEARN Cc1nc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)sc1C(/C=C\c1ccc([N+](=O)[O-])cc1)=N/NC(N)=S ZINC000104194498 571376562 /nfs/dbraw/zinc/37/65/62/571376562.db2.gz CPOULHLCMZUFJT-YIPLAUBASA-N 0 0 570.638 3.645 50 30 KHEARN COc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000104219256 571377104 /nfs/dbraw/zinc/37/71/04/571377104.db2.gz IHKYNCNEJZXGNL-HOGKFDNTSA-N 0 0 515.404 3.602 50 30 KHEARN COc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN2CCOCC2)cc1 ZINC000104219262 571377087 /nfs/dbraw/zinc/37/70/87/571377087.db2.gz IHKYNCNEJZXGNL-MOBKVPTQSA-N 0 0 515.404 3.602 50 30 KHEARN C=CCOC(=O)C1=C(NCCc2ccccc2)C[C@](C)(O)[C@H](C(=O)OCC=C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000104608941 571381632 /nfs/dbraw/zinc/38/16/32/571381632.db2.gz YOQQLYYHPJJUJD-AZIXZEHSSA-N 0 0 520.582 3.994 50 30 KHEARN COc1ccc([C@@H]2Nc3ncnn3[C@@H](c3ccc(OC)cc3)[C@@H]2NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000104768400 571385874 /nfs/dbraw/zinc/38/58/74/571385874.db2.gz DDZUOTISKHRUDE-NXCFDTQHSA-N 0 0 501.587 3.852 50 30 KHEARN C#CCOc1c(/C=C2/SC(=O)N(CC(=O)Nc3ccc4c(c3)OCO4)C2=O)cc(Br)cc1OC ZINC000104922790 571387979 /nfs/dbraw/zinc/38/79/79/571387979.db2.gz LOXFDYVKSQRMCQ-UFWORHAWSA-N 0 0 545.367 3.873 50 30 KHEARN C#CCOC[C@H](O)CN(Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1OC)C[C@@H]1CCCO1 ZINC000105000861 571388957 /nfs/dbraw/zinc/38/89/57/571388957.db2.gz OTEINCCUAPCDKT-RPBOFIJWSA-N 0 0 505.615 3.973 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)COCC(C)C ZINC000105002630 571388947 /nfs/dbraw/zinc/38/89/47/571388947.db2.gz TYXHXHPTLGMEFI-SQJMNOBHSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COCC(C)C ZINC000105002677 571388985 /nfs/dbraw/zinc/38/89/85/571388985.db2.gz IHPJWPBWBVMLTD-JTHBVZDNSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@H](O)COC(C)(C)C ZINC000105003216 571389007 /nfs/dbraw/zinc/38/90/07/571389007.db2.gz YYFLYDGDRMDEEM-GBXCKJPGSA-N 0 0 502.677 3.926 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@H](O)COCC(C)C ZINC000105003903 571388839 /nfs/dbraw/zinc/38/88/39/571388839.db2.gz QBKSDTOZHQELCA-SQJMNOBHSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000105003914 571388844 /nfs/dbraw/zinc/38/88/44/571388844.db2.gz HRXXQQXRUDIKNK-RBBKRZOGSA-N 0 0 502.677 3.926 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(OC)cc1)C[C@H](O)COC(C)(C)C ZINC000105004937 571389191 /nfs/dbraw/zinc/38/91/91/571389191.db2.gz QXGIKCRBOSWMFU-GBXCKJPGSA-N 0 0 502.677 3.926 50 30 KHEARN CCC(C)(C)C1CCC(=NNC(=S)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2N2CCOCC2)CC1 ZINC000105613317 571407945 /nfs/dbraw/zinc/40/79/45/571407945.db2.gz FZERSYNZSBRRIG-UHFFFAOYSA-N 0 0 551.779 3.813 50 30 KHEARN C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1cc(OC)c(OC)c(OC)c1)CN(C)[C@@]21c2cc(OCC)ccc2N(C)C1=O ZINC000105822876 571408897 /nfs/dbraw/zinc/40/88/97/571408897.db2.gz LBCRDIKURWARII-LMNMAEAPSA-N 0 0 583.732 3.797 50 30 KHEARN N#Cc1c(-c2ccc(F)cc2)cc(C(F)(F)F)nc1SCC(=O)NCc1ccc(S(N)(=O)=O)cc1 ZINC000105974240 571409662 /nfs/dbraw/zinc/40/96/62/571409662.db2.gz YCQOPBDYQDHJAR-UHFFFAOYSA-N 0 0 524.521 3.834 50 30 KHEARN CCOC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@H](C(=O)OCC)/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@]1(C)O ZINC000106258867 571411774 /nfs/dbraw/zinc/41/17/74/571411774.db2.gz MIHCMAMFVWXUQI-BNKYSFNASA-N 0 0 551.061 3.580 50 30 KHEARN COc1cc(-c2c(C#N)c(N)nc(S[C@@H]3CC(=O)N(c4ccc(F)cc4)C3=O)c2C#N)cc(OC)c1OC ZINC000107292205 571420030 /nfs/dbraw/zinc/42/00/30/571420030.db2.gz KGGSTVNFSLKICH-HXUWFJFHSA-N 0 0 533.541 3.663 50 30 KHEARN Cc1c(/N=C2/c3ccccc3N(CN3CCN(Cc4ccccc4)CC3)C2=O)c(=O)n(-c2ccccc2)n1C ZINC000107571978 571420266 /nfs/dbraw/zinc/42/02/66/571420266.db2.gz RNCPSTZVFYBGFD-OVXWJCGASA-N 0 0 520.637 3.727 50 30 KHEARN C=CCNC(=O)[C@@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)[C@H](C)CC ZINC000108449568 193924628 /nfs/dbraw/zinc/92/46/28/193924628.db2.gz IGHQVECGXCGRKN-DCMIEBIUSA-N 0 0 537.657 3.992 50 30 biogenic KHEARN C=CCNC(=O)[C@H](CCSC)Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2 ZINC000108451531 193927593 /nfs/dbraw/zinc/92/75/93/193927593.db2.gz YRKCOWQJVAZYFT-GMAHTHKFSA-N 0 0 555.697 3.699 50 30 biogenic KHEARN COc1cc(C=CC(=O)c2ccc(N3C(=O)C[C@H](SC(=S)N4CCOCC4)C3=O)cc2)cc(OC)c1OC ZINC000113563022 571440528 /nfs/dbraw/zinc/44/05/28/571440528.db2.gz QZKQCFZKRRJNIX-YNYHDPJCSA-N 0 0 556.662 3.591 50 30 KHEARN COc1cc(C=CC(=O)c2ccc(N3C(=O)C[C@@H](SC(=S)N4CCOCC4)C3=O)cc2)cc(OC)c1OC ZINC000113563025 571440512 /nfs/dbraw/zinc/44/05/12/571440512.db2.gz QZKQCFZKRRJNIX-UZHKBWCJSA-N 0 0 556.662 3.591 50 30 KHEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@H](SC(=S)N4CCOCC4)C3=O)cc2)c(OC)c1OC ZINC000113563981 571440725 /nfs/dbraw/zinc/44/07/25/571440725.db2.gz FRIJRWSUVKGKNX-FLVSMNSFSA-N 0 0 556.662 3.591 50 30 KHEARN COc1ccc(C=CC(=O)c2ccc(N3C(=O)C[C@@H](SC(=S)N4CCOCC4)C3=O)cc2)c(OC)c1OC ZINC000113563983 571440735 /nfs/dbraw/zinc/44/07/35/571440735.db2.gz FRIJRWSUVKGKNX-MOVYNIQHSA-N 0 0 556.662 3.591 50 30 KHEARN N#CCC1(n2cc(-c3ncnc4[nH]ccc43)cn2)CN(C2CCN(C(=O)c3ccnc(C(F)(F)F)c3F)CC2)C1 ZINC000118795962 562830690 /nfs/dbraw/zinc/83/06/90/562830690.db2.gz KTBSXLIQKWEBRB-UHFFFAOYSA-N 0 0 553.524 3.604 50 30 investigational KHEARN COc1cccc(C/N=C/[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)c1OC ZINC000118920369 571445732 /nfs/dbraw/zinc/44/57/32/571445732.db2.gz CXVOPJQBVVUOTC-CEROAGAQSA-N 0 0 553.696 3.988 50 30 KHEARN COc1cc(C/N=C/[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc(OC)c1 ZINC000118920388 571445784 /nfs/dbraw/zinc/44/57/84/571445784.db2.gz LNGKSZJQAFXXSV-WFRWBHIKSA-N 0 0 553.696 3.988 50 30 KHEARN COc1ccc(C/N=C/[C@]23CC[C@H](O)C[C@]2(O)CC[C@@H]2[C@@H]3CC[C@]3(C)[C@@H](C4=CC(=O)OC4)CC[C@@]23O)cc1OC ZINC000118920392 571445736 /nfs/dbraw/zinc/44/57/36/571445736.db2.gz XSSDYVBLIAUMQJ-CEROAGAQSA-N 0 0 553.696 3.988 50 30 KHEARN CC(=O)Nc1ccc(S(=O)(=O)NC2=C(N3CCN(c4cccc(Cl)c4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000135957048 571449012 /nfs/dbraw/zinc/44/90/12/571449012.db2.gz ZUECZFZVSDFRGZ-UHFFFAOYSA-N 0 0 565.051 3.690 50 30 KHEARN CO[C@H]1O[C@H](C)[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000139404045 571453252 /nfs/dbraw/zinc/45/32/52/571453252.db2.gz JXFRPTUJCLQENH-XNJKNQPFSA-N 0 0 540.590 3.911 50 30 KHEARN O=S(=O)(OCC(COS(=O)(=O)c1ccccc1)(COS(=O)(=O)c1ccccc1)COS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000150341771 571458384 /nfs/dbraw/zinc/45/83/84/571458384.db2.gz USQQFBRJEIDVBV-UHFFFAOYSA-N 0 0 696.799 3.595 50 30 KHEARN O=[N+]([O-])c1cccc(Nc2nc(N=NCc3cc(I)cc(I)c3O)nc(N3CCOCC3)n2)c1 ZINC000150350232 571461714 /nfs/dbraw/zinc/46/17/14/571461714.db2.gz XOBJJGALAWKAHM-FOKLQQMPSA-N 0 0 688.224 3.721 50 30 KHEARN C=CCN1c2ccc(Br)cc2/C(=c2/sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000150398339 571477286 /nfs/dbraw/zinc/47/72/86/571477286.db2.gz BMPZVQLWBRRNRX-UYUFHXMSSA-N 0 0 704.555 3.902 50 30 KHEARN C=CCN1c2ccc(Br)cc2/C(=c2/sc3n(c2=O)[C@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCCOC)=C(C)N=3)C1=O ZINC000150398342 571477197 /nfs/dbraw/zinc/47/71/97/571477197.db2.gz BMPZVQLWBRRNRX-IECPXTFPSA-N 0 0 704.555 3.902 50 30 KHEARN N#Cc1cc(Cc2ccc(NC(=O)CSC(=S)N3CCOCC3)c(C#N)c2)ccc1NC(=O)CSC(=S)N1CCOCC1 ZINC000150427473 571491648 /nfs/dbraw/zinc/49/16/48/571491648.db2.gz ODOOWMFCMDHFET-UHFFFAOYSA-N 0 0 654.865 3.598 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000150439118 571497211 /nfs/dbraw/zinc/49/72/11/571497211.db2.gz PKZLYIGHESPTFS-DKOMQPSQSA-N 0 0 660.486 3.705 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000150439122 571497187 /nfs/dbraw/zinc/49/71/87/571497187.db2.gz PKZLYIGHESPTFS-IZBTWGKQSA-N 0 0 660.486 3.705 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000150439349 571497168 /nfs/dbraw/zinc/49/71/68/571497168.db2.gz NBZCWOOWJURDBG-CBYYHRJHSA-N 0 0 676.529 3.994 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000150439352 571497197 /nfs/dbraw/zinc/49/71/97/571497197.db2.gz NBZCWOOWJURDBG-PNZYDNNZSA-N 0 0 676.529 3.994 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000150439535 571497374 /nfs/dbraw/zinc/49/73/74/571497374.db2.gz JXEBNZCYFCQFPT-DLBLZJNESA-N 0 0 646.503 3.985 50 30 KHEARN C=CCOc1c(I)cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000150439542 571497421 /nfs/dbraw/zinc/49/74/21/571497421.db2.gz JXEBNZCYFCQFPT-FCKOQQNDSA-N 0 0 646.503 3.985 50 30 KHEARN CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)(c1nc(NCc2ccccc2)nc(C(C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)[N+](=O)[O-])n1)[N+](=O)[O-] ZINC000150445261 571500175 /nfs/dbraw/zinc/50/01/75/571500175.db2.gz XOHMMKWALSOXKY-UHFFFAOYSA-N 0 0 704.734 3.795 50 30 KHEARN Cc1cc2c(c(O)c1-c1c(C)cc3c(c1O)C(=CNNC(N)=S)C(=O)C(=O)C3C(C)C)C(=CNNC(N)=S)C(=O)C(=O)C2C(C)C ZINC000150478338 571511452 /nfs/dbraw/zinc/51/14/52/571511452.db2.gz CKQIZCVFSXMOME-XFQWXJFMSA-N 0 0 664.810 3.755 50 30 KHEARN C=CCn1c(SCC(=O)N(CCOC)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)nc2scc(-c3ccc(C)cc3)c2c1=O ZINC000150490155 571517080 /nfs/dbraw/zinc/51/70/80/571517080.db2.gz YZSOQGHWUVSOPZ-UHFFFAOYSA-N 0 0 644.779 3.872 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000150509688 571519848 /nfs/dbraw/zinc/51/98/48/571519848.db2.gz NZFDNINOZMCOCV-CCLVUABDSA-N 0 0 636.723 3.712 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000150509690 571519840 /nfs/dbraw/zinc/51/98/40/571519840.db2.gz NZFDNINOZMCOCV-YLKQWKBVSA-N 0 0 636.723 3.712 50 30 KHEARN O=C(C=Cc1ccccc1)C(c1nn2c(NC(=O)Nc3ccc(Cl)cc3)nnc2[nH]c1=O)c1nn2c(NC(=O)Nc3ccc(Cl)cc3)nnc2[nH]c1=O ZINC000150641215 571524648 /nfs/dbraw/zinc/52/46/48/571524648.db2.gz RAWYHMPQEGSRID-GIDUJCDVSA-N 0 0 753.527 3.948 50 30 KHEARN COc1ccc(C(OC[C@H]2O[C@@H](n3cnc4c3nc([NH+]=CN(C)C)[n-]c4=O)[C@H](OC)[C@@H]2O)(c2ccccc2)c2ccc(OC)cc2)cc1 ZINC000150660811 1066859077 /nfs/dbraw/zinc/85/90/77/1066859077.db2.gz SBJHBQZDABMKCF-DTLVXTGFSA-N 0 0 654.724 3.640 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150663612 571528162 /nfs/dbraw/zinc/52/81/62/571528162.db2.gz ITXYVYHAEBCKRG-OTJWULCMSA-N 0 0 682.791 3.742 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150663613 571528155 /nfs/dbraw/zinc/52/81/55/571528155.db2.gz ITXYVYHAEBCKRG-XPLNXOJDSA-N 0 0 682.791 3.742 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150663624 571528179 /nfs/dbraw/zinc/52/81/79/571528179.db2.gz SIBXQXGEXAHLGP-XYPQWYOHSA-N 0 0 682.791 3.742 50 30 KHEARN Cc1ccc(S(=O)(=O)OC[C@@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@@H](OS(=O)(=O)c3ccc(C)cc3)[C@@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000150663625 571528173 /nfs/dbraw/zinc/52/81/73/571528173.db2.gz SIBXQXGEXAHLGP-XPLNXOJDSA-N 0 0 682.791 3.742 50 30 KHEARN C/C=C(/C)C(=O)O[C@H]1C(C)=C2[C@@H]3OC(=O)[C@@](C)(O)[C@@]3(O)[C@@H](OC(=O)CCC)C[C@](C)(OC(C)=O)[C@@H]2[C@@H]1OC(=O)CCCCCCC ZINC000158975224 562849005 /nfs/dbraw/zinc/84/90/05/562849005.db2.gz IXFPJGBNCFXKPI-JSHVDALJSA-N 0 0 650.762 3.928 50 30 in-vitro KHEARN Cc1ccc(S(=O)(=O)OC[C@@H](OS(=O)(=O)c2ccc(C)cc2)[C@H]2O[C@@H]3OC(C)(C)O[C@@H]3[C@H]2OS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000162025983 571532136 /nfs/dbraw/zinc/53/21/36/571532136.db2.gz ITXYVYHAEBCKRG-XYPQWYOHSA-N 0 0 682.791 3.742 50 30 KHEARN CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@@H]3[C@H]([C@@H](C(=O)OCC(C)(C)OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)[C@H]2C1=O)C31OCC(C)(C)CO1 ZINC000164569078 571549998 /nfs/dbraw/zinc/54/99/98/571549998.db2.gz KBNVYPHWGIPFLA-PHIRXITISA-N 0 0 676.672 3.618 50 30 KHEARN CC(C)OC1=C(OC(C)C)[C@@]2(O)[C@@H]3[C@H]([C@H](C(=O)OCC(C)(C)OC(=O)c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)[C@H]2C1=O)C31OCC(C)(C)CO1 ZINC000164569216 571549978 /nfs/dbraw/zinc/54/99/78/571549978.db2.gz KBNVYPHWGIPFLA-CIKJXQCESA-N 0 0 676.672 3.618 50 30 KHEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@@H](O)COC[C@@H](O)CO ZINC000169620174 571554261 /nfs/dbraw/zinc/55/42/61/571554261.db2.gz JHSNLCCMZMGXLK-KKUQBAQOSA-N 0 0 506.721 3.899 50 30 KHEARN CCCCCCCCCCCCCCCCCC(=O)OC[C@H](O)COC[C@H](O)COC[C@@H](O)CO ZINC000169620176 571554263 /nfs/dbraw/zinc/55/42/63/571554263.db2.gz JHSNLCCMZMGXLK-JIMJEQGWSA-N 0 0 506.721 3.899 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000169677325 571554837 /nfs/dbraw/zinc/55/48/37/571554837.db2.gz IHPJWPBWBVMLTD-FYYLOGMGSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)C[C@@H](O)COCC(C)C ZINC000169677962 571555693 /nfs/dbraw/zinc/55/56/93/571555693.db2.gz TYXHXHPTLGMEFI-PXDATVDWSA-N 0 0 502.677 3.783 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000169678982 571556151 /nfs/dbraw/zinc/55/61/51/571556151.db2.gz IUFOQMBADBSSEJ-MBSDFSHPSA-N 0 0 532.085 3.924 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000169678983 571556047 /nfs/dbraw/zinc/55/60/47/571556047.db2.gz IUFOQMBADBSSEJ-FDDCHVKYSA-N 0 0 532.085 3.924 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000169678984 571556088 /nfs/dbraw/zinc/55/60/88/571556088.db2.gz ZNSPRVHVSZYSIB-MBSDFSHPSA-N 0 0 532.085 3.924 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)(C)C)[C@@H](C)C1 ZINC000169678985 571556148 /nfs/dbraw/zinc/55/61/48/571556148.db2.gz ZNSPRVHVSZYSIB-FDDCHVKYSA-N 0 0 532.085 3.924 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@@H](C)C1 ZINC000169678986 571556095 /nfs/dbraw/zinc/55/60/95/571556095.db2.gz BBYODIKYIYZWTO-MBSDFSHPSA-N 0 0 518.058 3.534 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@@H](C)C1 ZINC000169678987 571556057 /nfs/dbraw/zinc/55/60/57/571556057.db2.gz BBYODIKYIYZWTO-FDDCHVKYSA-N 0 0 518.058 3.534 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)[C@@H](C)C1 ZINC000169678988 571556051 /nfs/dbraw/zinc/55/60/51/571556051.db2.gz LYWHLCPYGJZTHH-FDDCHVKYSA-N 0 0 518.058 3.535 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2cccs2)[C@@H](C)C1 ZINC000169679781 571556424 /nfs/dbraw/zinc/55/64/24/571556424.db2.gz KQFGSHFFBZPCGC-UUOWRZLLSA-N 0 0 526.634 3.803 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)c2cccs2)[C@@H](C)C1 ZINC000169679782 571556465 /nfs/dbraw/zinc/55/64/65/571556465.db2.gz KQFGSHFFBZPCGC-MHECFPHRSA-N 0 0 526.634 3.803 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@@H](Cc3ccccc3)C(=O)NC[C@H]3CCCO3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000169679831 571556560 /nfs/dbraw/zinc/55/65/60/571556560.db2.gz VMXSFOCPSFBOAX-MVERNJQCSA-N 0 0 568.596 3.961 50 30 KHEARN C=CCN1C2=C(C(=O)N([C@H](Cc3ccccc3)C(=O)NC[C@H]3CCCO3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)NC1=O ZINC000169679832 571556571 /nfs/dbraw/zinc/55/65/71/571556571.db2.gz VMXSFOCPSFBOAX-JQYIIUTOSA-N 0 0 568.596 3.961 50 30 KHEARN C=CCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@@H](C)C1 ZINC000169680933 571557590 /nfs/dbraw/zinc/55/75/90/571557590.db2.gz UNWJAVIFQFGFBE-MBSDFSHPSA-N 0 0 518.058 3.534 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NC(C)C)[C@@H](C)C1 ZINC000169680934 571557575 /nfs/dbraw/zinc/55/75/75/571557575.db2.gz UNWJAVIFQFGFBE-FDDCHVKYSA-N 0 0 518.058 3.534 50 30 KHEARN C=CCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)[C@@H](C)C1 ZINC000169680944 571557517 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COc1ccc([C@@H]2Nc3ncnn3[C@@H](c3ccc(OC)cc3)[C@H]2NC=C2C(=O)CC(C)(C)CC2=O)cc1 ZINC000245309459 572227581 /nfs/dbraw/zinc/22/75/81/572227581.db2.gz DDZUOTISKHRUDE-GSDHBNRESA-N 0 0 501.587 3.852 50 30 KHEARN COc1ccc(C=c2sc3n(c2=O)[C@@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)cc1[N+](=O)[O-] ZINC000245326048 572232576 /nfs/dbraw/zinc/23/25/76/572232576.db2.gz ISAXJQFCGSJVSY-AREMUKBSSA-N 0 0 529.574 3.903 50 30 KHEARN COc1ccc(C=c2sc3n(c2=O)[C@H](c2c(OC)ccc4ccccc42)C(C(C)=O)=C(C)N=3)cc1[N+](=O)[O-] ZINC000245326053 572232499 /nfs/dbraw/zinc/23/24/99/572232499.db2.gz ISAXJQFCGSJVSY-SANMLTNESA-N 0 0 529.574 3.903 50 30 KHEARN C=CCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OCC)=C1CN1CCN(C(=O)NCCC)[C@H](C)C1 ZINC000245327946 572234448 /nfs/dbraw/zinc/23/44/48/572234448.db2.gz LYWHLCPYGJZTHH-WZONZLPQSA-N 0 0 518.058 3.535 50 30 KHEARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC000250756426 572259234 /nfs/dbraw/zinc/25/92/34/572259234.db2.gz LCMHOYGXUSEPPY-DEQVMWBQSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC000250756434 572259263 /nfs/dbraw/zinc/25/92/63/572259263.db2.gz LCMHOYGXUSEPPY-QHPVWNCMSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC000250756440 572259258 /nfs/dbraw/zinc/25/92/58/572259258.db2.gz LCMHOYGXUSEPPY-SGCOEHJQSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccccc1/C=C/C(=O)c1ccccc1 ZINC000250756447 572259213 /nfs/dbraw/zinc/25/92/13/572259213.db2.gz LCMHOYGXUSEPPY-UQLZRHAVSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000250757363 572259261 /nfs/dbraw/zinc/25/92/61/572259261.db2.gz MTSSSIQPVBHNCJ-POKBNWGFSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000250757364 572259229 /nfs/dbraw/zinc/25/92/29/572259229.db2.gz MTSSSIQPVBHNCJ-TYFBVEHISA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000250757365 572259209 /nfs/dbraw/zinc/25/92/09/572259209.db2.gz MTSSSIQPVBHNCJ-UUOBJEEPSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(/C=C/C(=O)c2ccccc2)cc1 ZINC000250757366 572259260 /nfs/dbraw/zinc/25/92/60/572259260.db2.gz MTSSSIQPVBHNCJ-XHKBSZINSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000250764834 572259255 /nfs/dbraw/zinc/25/92/55/572259255.db2.gz YSIDUMNRQVCWGI-APHNYLTJSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@@H](O)[C@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000250764840 572259270 /nfs/dbraw/zinc/25/92/70/572259270.db2.gz YSIDUMNRQVCWGI-GDEKIVHMSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000250764846 572259265 /nfs/dbraw/zinc/25/92/65/572259265.db2.gz YSIDUMNRQVCWGI-OWGZEXBNSA-N 0 0 515.562 3.666 50 30 KHEARN CC(=O)N[C@H]1[C@H](O)[C@@H]2O[C@@H](c3ccccc3)OC[C@H]2O[C@H]1Oc1ccc(C(=O)/C=C/c2ccccc2)cc1 ZINC000250764853 572259236 /nfs/dbraw/zinc/25/92/36/572259236.db2.gz YSIDUMNRQVCWGI-SAXBOGASSA-N 0 0 515.562 3.666 50 30 KHEARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@@](CCOS(C)(=O)=O)(COS(C)(=O)=O)O2 ZINC000251756360 572259543 /nfs/dbraw/zinc/25/95/43/572259543.db2.gz JYZIOOGHTCSGLU-GMMOQORGSA-N 0 0 552.752 3.621 50 30 KHEARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@]12CC[C@@](CCOS(C)(=O)=O)(COS(C)(=O)=O)O2 ZINC000251756375 572259555 /nfs/dbraw/zinc/25/95/55/572259555.db2.gz JYZIOOGHTCSGLU-OBYNIJJYSA-N 0 0 552.752 3.621 50 30 KHEARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@@]12CC[C@](CCOS(C)(=O)=O)(COS(C)(=O)=O)O2 ZINC000251756388 572259474 /nfs/dbraw/zinc/25/94/74/572259474.db2.gz JYZIOOGHTCSGLU-YNECCRQPSA-N 0 0 552.752 3.621 50 30 KHEARN C[C@@H]1CC[C@@H]2[C@]3(C)COC(C)(C)O[C@@H]3CC[C@]2(C)[C@]12CC[C@](CCOS(C)(=O)=O)(COS(C)(=O)=O)O2 ZINC000251756402 572259562 /nfs/dbraw/zinc/25/95/62/572259562.db2.gz JYZIOOGHTCSGLU-ZQIQKMJESA-N 0 0 552.752 3.621 50 30 KHEARN CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C ZINC000252346784 562881720 /nfs/dbraw/zinc/88/17/20/562881720.db2.gz CIWBQSYVNNPZIQ-HTJCTSFCSA-N 0 0 504.595 3.818 50 30 KHEARN CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C ZINC000252346785 562881722 /nfs/dbraw/zinc/88/17/22/562881722.db2.gz CIWBQSYVNNPZIQ-WEYKAHBWSA-N 0 0 504.595 3.818 50 30 KHEARN Cc1ccc(S(=O)(=O)NN=C2CCCC(=NNS(=O)(=O)c3ccc(C)cc3)c3ccccc32)cc1 ZINC000252426679 572260353 /nfs/dbraw/zinc/26/03/53/572260353.db2.gz KKSKWIDWEOOFOB-UHFFFAOYSA-N 0 0 510.641 3.853 50 30 KHEARN CO[C@@H]1[C@H]([C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)O[C@H]2OC3(CCCCC3)O[C@@H]12 ZINC000252427029 572260394 /nfs/dbraw/zinc/26/03/94/572260394.db2.gz RUSOIGRHRSUOBC-BONDPLATSA-N 0 0 582.693 3.599 50 30 KHEARN CO[C@@H]1[C@H]([C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)O[C@H]2OC3(CCCCC3)O[C@H]12 ZINC000252427030 572260376 /nfs/dbraw/zinc/26/03/76/572260376.db2.gz RUSOIGRHRSUOBC-DQUFFZNGSA-N 0 0 582.693 3.599 50 30 KHEARN CO[C@@H]1[C@H]([C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)O[C@@H]2OC3(CCCCC3)O[C@@H]21 ZINC000252427031 572260432 /nfs/dbraw/zinc/26/04/32/572260432.db2.gz RUSOIGRHRSUOBC-FZPKUJNRSA-N 0 0 582.693 3.599 50 30 KHEARN CO[C@@H]1[C@H]([C@H](COS(=O)(=O)c2ccc(C)cc2)OS(=O)(=O)c2ccc(C)cc2)O[C@@H]2OC3(CCCCC3)O[C@H]21 ZINC000252427032 572260437 /nfs/dbraw/zinc/26/04/37/572260437.db2.gz RUSOIGRHRSUOBC-HEXNFIEUSA-N 0 0 582.693 3.599 50 30 KHEARN CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)C2=C(C3C(=O)c4ccccc4C3=O)N[C@@H](c3ccccn3)[C@H]2C1=O ZINC000252428191 572260452 /nfs/dbraw/zinc/26/04/52/572260452.db2.gz TUMAUVZWNBAIHN-BJLQDIEVSA-N 0 0 567.911 3.779 50 30 KHEARN CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@H]3CC[C@@]12C ZINC000252441118 572260836 /nfs/dbraw/zinc/26/08/36/572260836.db2.gz GXNNYSDWRVKVJY-DKSZNVPMSA-N 0 0 520.707 3.652 50 30 KHEARN CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@@]4(C)[C@H]3CC[C@]12C ZINC000252441119 572260823 /nfs/dbraw/zinc/26/08/23/572260823.db2.gz GXNNYSDWRVKVJY-NFXMGCCVSA-N 0 0 520.707 3.652 50 30 KHEARN CC(C)(O)CC[C@H]1OC(C)(C)O[C@]1(C)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@@]12C ZINC000252441120 572260820 /nfs/dbraw/zinc/26/08/20/572260820.db2.gz GXNNYSDWRVKVJY-XAWSWYEASA-N 0 0 520.707 3.652 50 30 KHEARN C#CCOc1cc(Br)c(C=c2sc3n(c2=O)[C@@H](c2cc(Cl)c(O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252498103 572261883 /nfs/dbraw/zinc/26/18/83/572261883.db2.gz QLENNVHHEPIIOB-DEOSSOPVSA-N 0 0 647.931 3.949 50 30 KHEARN C#CCOc1cc(Br)c(C=c2sc3n(c2=O)[C@H](c2cc(Cl)c(O)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252498104 572261825 /nfs/dbraw/zinc/26/18/25/572261825.db2.gz QLENNVHHEPIIOB-XMMPIXPASA-N 0 0 647.931 3.949 50 30 KHEARN C=CCNC(=O)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)[C@H](C)CC ZINC000252536353 572262759 /nfs/dbraw/zinc/26/27/59/572262759.db2.gz IGHQVECGXCGRKN-LGKCOBPISA-N 0 0 537.657 3.992 50 30 KHEARN C=CCNC(=O)[C@H](Nc1ccc2c(cc1=O)[C@@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)[C@@H](C)CC ZINC000252536354 572262768 /nfs/dbraw/zinc/26/27/68/572262768.db2.gz IGHQVECGXCGRKN-NIIFMQKASA-N 0 0 537.657 3.992 50 30 KHEARN C=CCNC(=O)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)[C@H](C)CC ZINC000252536355 572262794 /nfs/dbraw/zinc/26/27/94/572262794.db2.gz IGHQVECGXCGRKN-UKPISFLSSA-N 0 0 537.657 3.992 50 30 KHEARN C=CCNC(=O)[C@H](Nc1ccc2c(cc1=O)[C@H](NC(C)=O)CCc1cc(OC)c(OC)c(OC)c1-2)[C@@H](C)CC ZINC000252536356 572262761 /nfs/dbraw/zinc/26/27/61/572262761.db2.gz IGHQVECGXCGRKN-WFMHVWNISA-N 0 0 537.657 3.992 50 30 KHEARN COc1cc(CN=Nc2nc(Nc3ccc(C)cc3Br)nc(N3CCOCC3)n2)ccc1O ZINC000252589637 572266559 /nfs/dbraw/zinc/26/65/59/572266559.db2.gz ALGXVULAXFRGAS-UHFFFAOYSA-N 0 0 514.384 3.683 50 30 KHEARN Cc1ccc(Nc2nc(N=NCc3ccc4c(c3)OCO4)nc(N3CCOCC3)n2)c(Br)c1 ZINC000252591188 572266693 /nfs/dbraw/zinc/26/66/93/572266693.db2.gz AYSNYSIKBAMSMA-UHFFFAOYSA-N 0 0 512.368 3.697 50 30 KHEARN COc1cc(OC)c(OC)cc1CN=Nc1nc(Nc2ccc([N+](=O)[O-])cc2)nc(N2CCCCC2)n1 ZINC000252593040 572266808 /nfs/dbraw/zinc/26/68/08/572266808.db2.gz BIHOQHPORTYPDN-UHFFFAOYSA-N 0 0 508.539 3.986 50 30 KHEARN C[C@@H]1SC(=NN=Cc2ccccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000252598208 572267171 /nfs/dbraw/zinc/26/71/71/572267171.db2.gz CYBRHLZROWYHSA-JTQLQIEISA-N 0 0 547.250 3.921 50 30 KHEARN C[C@H]1SC(=NN=Cc2ccccc2OS(=O)(=O)c2cc(Br)ccc2Br)NC1=O ZINC000252598209 572267173 /nfs/dbraw/zinc/26/71/73/572267173.db2.gz CYBRHLZROWYHSA-SNVBAGLBSA-N 0 0 547.250 3.921 50 30 KHEARN Clc1ccccc1COc1ccccc1C=NN=c1cc(N2CCOCC2)[nH]c(N2CCOCC2)n1 ZINC000252608673 572268083 /nfs/dbraw/zinc/26/80/83/572268083.db2.gz HMLSEECMDUIPDC-UHFFFAOYSA-N 0 0 509.010 3.828 50 30 KHEARN COc1ccc(C(C)N=Nc2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2Cc2ccccc2)cc1 ZINC000252612223 572268340 /nfs/dbraw/zinc/26/83/40/572268340.db2.gz IQNDAJWFPRSTRG-UHFFFAOYSA-N 0 0 508.582 3.838 50 30 KHEARN COc1cc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)ccc1OCc1ccc(Cl)cc1Cl ZINC000252617915 572268992 /nfs/dbraw/zinc/26/89/92/572268992.db2.gz LBGCWHPDNMRSAZ-UHFFFAOYSA-N 0 0 574.469 3.885 50 30 KHEARN Brc1ccc(-c2ccc(C=NN=c3cc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)cc1 ZINC000252620701 572269476 /nfs/dbraw/zinc/26/94/76/572269476.db2.gz MKCAXHLBNLTNDD-UHFFFAOYSA-N 0 0 513.396 3.618 50 30 KHEARN CCN1C(=O)[C@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(S(N)(=O)=O)cc1 ZINC000252620954 572269558 /nfs/dbraw/zinc/26/95/58/572269558.db2.gz MPUWPIKNTIOOEH-INIZCTEOSA-N 0 0 501.417 3.621 50 30 KHEARN CCN1C(=O)[C@@H](CC(=O)Nc2ccc(Cl)c(Cl)c2)SC1=Nc1ccc(S(N)(=O)=O)cc1 ZINC000252620955 572269549 /nfs/dbraw/zinc/26/95/49/572269549.db2.gz MPUWPIKNTIOOEH-MRXNPFEDSA-N 0 0 501.417 3.621 50 30 KHEARN Ic1ccc(CN=Nc2nc(Nc3ccccc3)nc(N3CCOCC3)n2)cc1 ZINC000252622788 572269918 /nfs/dbraw/zinc/26/99/18/572269918.db2.gz OCMHEKUMDIMWLC-UHFFFAOYSA-N 0 0 501.332 3.502 50 30 KHEARN Cc1c(N2C(=O)/C(=C3\c4ccccc4NC3=O)SC2=NN=C2c3ccccc3NC2=O)c(=O)n(-c2ccccc2)n1C ZINC000252625356 572270395 /nfs/dbraw/zinc/27/03/95/572270395.db2.gz QIBQJLVSWYUUKN-GRUSDELVSA-N 0 0 575.610 3.640 50 30 KHEARN Cc1ccc(Nc2nc(=NN=Cc3cc4c(cc3[N+](=O)[O-])OCO4)nc(N3CCOCC3)[nH]2)c(Br)c1 ZINC000252626720 572270635 /nfs/dbraw/zinc/27/06/35/572270635.db2.gz REIYOIGNBGTCLI-UHFFFAOYSA-N 0 0 557.365 3.606 50 30 KHEARN COc1cc(C=NN2C(=O)/C(=C/c3cc(OC)c(OC)c(OC)c3)SC2=S)cc(OC)c1OC ZINC000252626734 572270691 /nfs/dbraw/zinc/27/06/91/572270691.db2.gz RESIPQZWDTUNMV-NVILHAHHSA-N 0 0 504.586 3.974 50 30 KHEARN COc1cc(C=NN2C(=O)/C(=C\c3cc(OC)c(OC)c(OC)c3)SC2=S)cc(OC)c1OC ZINC000252626735 572270671 /nfs/dbraw/zinc/27/06/71/572270671.db2.gz RESIPQZWDTUNMV-WMYOOKMUSA-N 0 0 504.586 3.974 50 30 KHEARN COc1cc(C=NN=C2NC(=O)[C@H](C)S2)ccc1OS(=O)(=O)c1cc(Br)ccc1Br ZINC000252627328 572270637 /nfs/dbraw/zinc/27/06/37/572270637.db2.gz RRXKOIOOJRZKDI-JTQLQIEISA-N 0 0 577.276 3.929 50 30 KHEARN COc1cc(C=NN=C2NC(=O)[C@@H](C)S2)ccc1OS(=O)(=O)c1cc(Br)ccc1Br ZINC000252627329 572270791 /nfs/dbraw/zinc/27/07/91/572270791.db2.gz RRXKOIOOJRZKDI-SNVBAGLBSA-N 0 0 577.276 3.929 50 30 KHEARN Clc1ccccc1COc1ccc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)cc1 ZINC000252627487 572270805 /nfs/dbraw/zinc/27/08/05/572270805.db2.gz RVHOERLGYNTLJE-UHFFFAOYSA-N 0 0 509.010 3.828 50 30 KHEARN CC(N=Nc1nc2c(c(=O)n(Cc3ccccc3)c(=O)n2C)n1Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000252629474 572271192 /nfs/dbraw/zinc/27/11/92/572271192.db2.gz UGTJPPHVPFPWKQ-UHFFFAOYSA-N 0 0 523.553 3.738 50 30 KHEARN O=[N+]([O-])c1cc(C(F)(F)F)ccc1Oc1ccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)cc1 ZINC000252630659 572271488 /nfs/dbraw/zinc/27/14/88/572271488.db2.gz VCPKHOKRVIGHIF-UHFFFAOYSA-N 0 0 574.520 3.710 50 30 KHEARN COc1cc(CN=Nc2nc(Nc3cccc(C)c3C)nc(N3CCC(C)CC3)n2)ccc1Oc1nc2c(c(=O)n(C)c(=O)n2C)n1C ZINC000252630725 572271507 /nfs/dbraw/zinc/27/15/07/572271507.db2.gz VEFZWZVKNHOXQF-UHFFFAOYSA-N 0 0 653.748 3.999 50 30 KHEARN [O-]c1c(I)cc(C=Nc2ccc(N3CC[NH2+]CC3)cc2)cc1I ZINC000252633991 572271757 /nfs/dbraw/zinc/27/17/57/572271757.db2.gz WJFBCONSAHYRGH-UHFFFAOYSA-N 0 0 533.151 3.762 50 30 KHEARN COc1cc(OC(=O)c2cccc(Br)c2)ccc1CN=Nc1nc(N2CCCC2)nc(N2CCOCC2)n1 ZINC000252634605 572271707 /nfs/dbraw/zinc/27/17/07/572271707.db2.gz WOZRDMGNDNISPJ-UHFFFAOYSA-N 0 0 582.459 3.745 50 30 KHEARN O=C1CSC(=NN=Cc2c(OS(=O)(=O)c3ccc(I)cc3)ccc3ccccc32)N1 ZINC000252639848 572272213 /nfs/dbraw/zinc/27/22/13/572272213.db2.gz YOGKWANKSUMREF-UHFFFAOYSA-N 0 0 551.387 3.765 50 30 KHEARN CCN(CC)C(=O)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=[NH+][N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000252640276 572272258 /nfs/dbraw/zinc/27/22/58/572272258.db2.gz YSNPCMFNCVYWKI-INIZCTEOSA-N 0 0 513.511 3.942 50 30 KHEARN CCN(CC)C(=O)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C=[NH+][N-]c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000252640277 572272256 /nfs/dbraw/zinc/27/22/56/572272256.db2.gz YSNPCMFNCVYWKI-MRXNPFEDSA-N 0 0 513.511 3.942 50 30 KHEARN COc1cc(C=NN=c2cc(N3CCCC3)[nH]c(N3CCCC3)n2)ccc1OS(=O)(=O)c1ccccc1 ZINC000252641372 572272340 /nfs/dbraw/zinc/27/23/40/572272340.db2.gz ZCYWZOYYJUWPQP-UHFFFAOYSA-N 0 0 522.631 3.899 50 30 KHEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252666033 572272646 /nfs/dbraw/zinc/27/26/46/572272646.db2.gz AHCKGQCFYJWKRE-HHHXNRCGSA-N 0 0 539.588 3.977 50 30 KHEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252666034 572272691 /nfs/dbraw/zinc/27/26/91/572272691.db2.gz AHCKGQCFYJWKRE-MHZLTWQESA-N 0 0 539.588 3.977 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252666097 572272794 /nfs/dbraw/zinc/27/27/94/572272794.db2.gz AMMBWLZYUNFFIX-JOCHJYFZSA-N 0 0 586.439 3.611 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3cc(Br)c(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252666098 572272779 /nfs/dbraw/zinc/27/27/79/572272779.db2.gz AMMBWLZYUNFFIX-QFIPXVFZSA-N 0 0 586.439 3.611 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1OC ZINC000252666107 572272746 /nfs/dbraw/zinc/27/27/46/572272746.db2.gz ANGPWHCCONFWNP-HHHXNRCGSA-N 0 0 555.612 3.947 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(OC)cc1OC ZINC000252666108 572272755 /nfs/dbraw/zinc/27/27/55/572272755.db2.gz ANGPWHCCONFWNP-MHZLTWQESA-N 0 0 555.612 3.947 50 30 KHEARN C=CCOc1ccccc1C=c1sc2n(c1=O)[C@H](c1ccc(OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000252666116 572272789 /nfs/dbraw/zinc/27/27/89/572272789.db2.gz AODLDDLKZSWKFC-AREMUKBSSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccccc1C=c1sc2n(c1=O)[C@@H](c1ccc(OC)c(OCC)c1)C(C(=O)OCC)=C(C)N=2 ZINC000252666117 572272732 /nfs/dbraw/zinc/27/27/32/572272732.db2.gz AODLDDLKZSWKFC-SANMLTNESA-N 0 0 534.634 3.770 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000252666245 572272905 /nfs/dbraw/zinc/27/29/05/572272905.db2.gz AWLZFTZJEXACDA-HHHXNRCGSA-N 0 0 555.612 3.947 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000252666246 572272932 /nfs/dbraw/zinc/27/29/32/572272932.db2.gz AWLZFTZJEXACDA-MHZLTWQESA-N 0 0 555.612 3.947 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(OC)cc1 ZINC000252666284 572273009 /nfs/dbraw/zinc/27/30/09/572273009.db2.gz AZQCLFQFDPJGQV-AREMUKBSSA-N 0 0 525.586 3.939 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(OC)cc1 ZINC000252666285 572273016 /nfs/dbraw/zinc/27/30/16/572273016.db2.gz AZQCLFQFDPJGQV-SANMLTNESA-N 0 0 525.586 3.939 50 30 KHEARN C=CCn1cc(C=c2sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000252666288 572273042 /nfs/dbraw/zinc/27/30/42/572273042.db2.gz AZXLPILQWSAYSK-AREMUKBSSA-N 0 0 527.602 3.668 50 30 KHEARN C=CCn1cc(C=c2sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000252666289 572272991 /nfs/dbraw/zinc/27/29/91/572272991.db2.gz AZXLPILQWSAYSK-SANMLTNESA-N 0 0 527.602 3.668 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(C)o4)c(=O)n32)cc1OCC ZINC000252666529 572273213 /nfs/dbraw/zinc/27/32/13/572273213.db2.gz BUCUTPUXXUHYBI-DEOSSOPVSA-N 0 0 508.596 3.663 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(C)o4)c(=O)n32)cc1OCC ZINC000252666530 572273292 /nfs/dbraw/zinc/27/32/92/572273292.db2.gz BUCUTPUXXUHYBI-XMMPIXPASA-N 0 0 508.596 3.663 50 30 KHEARN COc1cc(N2CCOCC2)ccc1C=c1sc2n(c1=O)[C@H](c1c(OC)ccc3ccccc31)C(C(C)=O)=C(C)N=2 ZINC000252666658 572273433 /nfs/dbraw/zinc/27/34/33/572273433.db2.gz CDUQKYXSCULDQU-PMERELPUSA-N 0 0 569.683 3.831 50 30 KHEARN COc1cc(N2CCOCC2)ccc1C=c1sc2n(c1=O)[C@@H](c1c(OC)ccc3ccccc31)C(C(C)=O)=C(C)N=2 ZINC000252666659 572273358 /nfs/dbraw/zinc/27/33/58/572273358.db2.gz CDUQKYXSCULDQU-SSEXGKCCSA-N 0 0 569.683 3.831 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252666816 572273512 /nfs/dbraw/zinc/27/35/12/572273512.db2.gz CJOFEFUALBZICH-HHHXNRCGSA-N 0 0 585.638 3.956 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000252666817 572273553 /nfs/dbraw/zinc/27/35/53/572273553.db2.gz CJOFEFUALBZICH-MHZLTWQESA-N 0 0 585.638 3.956 50 30 KHEARN C#CCOc1ccc2ccccc2c1C=c1sc2n(c1=O)[C@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000252666858 572273525 /nfs/dbraw/zinc/27/35/25/572273525.db2.gz CNXRZDXQAOJCEG-GDLZYMKVSA-N 0 0 568.651 3.981 50 30 KHEARN C#CCOc1ccc2ccccc2c1C=c1sc2n(c1=O)[C@@H](c1cc(OC)ccc1OC)C(C(=O)OCC)=C(C)N=2 ZINC000252666859 572273546 /nfs/dbraw/zinc/27/35/46/572273546.db2.gz CNXRZDXQAOJCEG-LJAQVGFWSA-N 0 0 568.651 3.981 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1cccs1 ZINC000252667717 572273880 /nfs/dbraw/zinc/27/38/80/572273880.db2.gz DIDKHHBATQGPQW-HSZRJFAPSA-N 0 0 501.589 3.991 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1cccs1 ZINC000252667718 572273814 /nfs/dbraw/zinc/27/38/14/572273814.db2.gz DIDKHHBATQGPQW-QHCPKHFHSA-N 0 0 501.589 3.991 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252667734 572273811 /nfs/dbraw/zinc/27/38/11/572273811.db2.gz DJFKYMBXHFTOPW-HHHXNRCGSA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252667735 572273893 /nfs/dbraw/zinc/27/38/93/572273893.db2.gz DJFKYMBXHFTOPW-MHZLTWQESA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000252667747 572273859 /nfs/dbraw/zinc/27/38/59/572273859.db2.gz DKGGGZASZXJBTA-RUZDIDTESA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000252667748 572273822 /nfs/dbraw/zinc/27/38/22/572273822.db2.gz DKGGGZASZXJBTA-VWLOTQADSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000252668411 572274034 /nfs/dbraw/zinc/27/40/34/572274034.db2.gz FBVDHMOZAJZAAW-DEOSSOPVSA-N 0 0 583.460 3.854 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1Br ZINC000252668415 572274108 /nfs/dbraw/zinc/27/41/08/572274108.db2.gz FBVDHMOZAJZAAW-XMMPIXPASA-N 0 0 583.460 3.854 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4cc(I)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000252669364 572274868 /nfs/dbraw/zinc/27/48/68/572274868.db2.gz HHOYTLAXLFMHCY-HSZRJFAPSA-N 0 0 632.476 3.682 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4cc(I)c(O)c(OC)c4)c(=O)n32)cc1 ZINC000252669365 572274881 /nfs/dbraw/zinc/27/48/81/572274881.db2.gz HHOYTLAXLFMHCY-QHCPKHFHSA-N 0 0 632.476 3.682 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4cccs4)c(=O)n32)cc1OCC ZINC000252669513 572275025 /nfs/dbraw/zinc/27/50/25/572275025.db2.gz HSQGWCFPOVOCPR-HSZRJFAPSA-N 0 0 510.637 3.823 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4cccs4)c(=O)n32)cc1OCC ZINC000252669514 572275016 /nfs/dbraw/zinc/27/50/16/572275016.db2.gz HSQGWCFPOVOCPR-QHCPKHFHSA-N 0 0 510.637 3.823 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccccc1OC ZINC000252669637 572275085 /nfs/dbraw/zinc/27/50/85/572275085.db2.gz IFRAUXIOQAQQQD-AREMUKBSSA-N 0 0 525.586 3.939 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccccc1OC ZINC000252669638 572275139 /nfs/dbraw/zinc/27/51/39/572275139.db2.gz IFRAUXIOQAQQQD-SANMLTNESA-N 0 0 525.586 3.939 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000252669737 572275223 /nfs/dbraw/zinc/27/52/23/572275223.db2.gz INXDJEBUPINPCU-HHHXNRCGSA-N 0 0 538.629 3.996 50 30 KHEARN CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(-c4ccccc4C#N)o3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000252669738 572275247 /nfs/dbraw/zinc/27/52/47/572275247.db2.gz INXDJEBUPINPCU-MHZLTWQESA-N 0 0 538.629 3.996 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC)cc4C)c(=O)n32)cc1 ZINC000252669904 572275475 /nfs/dbraw/zinc/27/54/75/572275475.db2.gz IYOBEDXNNKXRJM-RUZDIDTESA-N 0 0 504.608 3.680 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC)cc4C)c(=O)n32)cc1 ZINC000252669905 572275480 /nfs/dbraw/zinc/27/54/80/572275480.db2.gz IYOBEDXNNKXRJM-VWLOTQADSA-N 0 0 504.608 3.680 50 30 KHEARN C#CCOc1c(Cl)cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000252670025 572275594 /nfs/dbraw/zinc/27/55/94/572275594.db2.gz JISSXJZSOHZXIV-AREMUKBSSA-N 0 0 597.089 3.880 50 30 KHEARN C#CCOc1c(Cl)cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OCC ZINC000252670026 572275572 /nfs/dbraw/zinc/27/55/72/572275572.db2.gz JISSXJZSOHZXIV-SANMLTNESA-N 0 0 597.089 3.880 50 30 KHEARN C=CCOc1cccc(C=c2sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000252670063 572275582 /nfs/dbraw/zinc/27/55/82/572275582.db2.gz JMEUVOSEDKKFKU-RUZDIDTESA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOc1cccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c1 ZINC000252670064 572275553 /nfs/dbraw/zinc/27/55/53/572275553.db2.gz JMEUVOSEDKKFKU-VWLOTQADSA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOc1c(I)cc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252670219 572275780 /nfs/dbraw/zinc/27/57/80/572275780.db2.gz JXEBNZCYFCQFPT-DEOSSOPVSA-N 0 0 646.503 3.985 50 30 KHEARN C=CCOc1c(I)cc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252670220 572275836 /nfs/dbraw/zinc/27/58/36/572275836.db2.gz JXEBNZCYFCQFPT-XMMPIXPASA-N 0 0 646.503 3.985 50 30 KHEARN C#CCOc1ccc(Br)cc1C=c1sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)OCC)=C(C)N=2 ZINC000252670594 572276176 /nfs/dbraw/zinc/27/61/76/572276176.db2.gz LCMKORRIORPUCT-NRFANRHFSA-N 0 0 543.464 3.634 50 30 KHEARN C#CCOc1ccc(Br)cc1C=c1sc2n(c1=O)[C@H](c1cccs1)C(C(=O)OCC)=C(C)N=2 ZINC000252670595 572276169 /nfs/dbraw/zinc/27/61/69/572276169.db2.gz LCMKORRIORPUCT-OAQYLSRUSA-N 0 0 543.464 3.634 50 30 KHEARN C#CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000252670630 572276256 /nfs/dbraw/zinc/27/62/56/572276256.db2.gz LEYDGIZTYRPUAD-GDLZYMKVSA-N 0 0 550.636 3.956 50 30 KHEARN C#CCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(c2ccccc2)N=3)cc1 ZINC000252670631 572276260 /nfs/dbraw/zinc/27/62/60/572276260.db2.gz LEYDGIZTYRPUAD-LJAQVGFWSA-N 0 0 550.636 3.956 50 30 KHEARN C#CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252670682 572276285 /nfs/dbraw/zinc/27/62/85/572276285.db2.gz LKJOPRLLMTZJBQ-HHHXNRCGSA-N 0 0 530.646 3.942 50 30 KHEARN C#CCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252670683 572276261 /nfs/dbraw/zinc/27/62/61/572276261.db2.gz LKJOPRLLMTZJBQ-MHZLTWQESA-N 0 0 530.646 3.942 50 30 KHEARN C=CCc1cc(C=c2sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000252670901 572276489 /nfs/dbraw/zinc/27/64/89/572276489.db2.gz LZVDKQFKHRWIAU-RUZDIDTESA-N 0 0 564.660 3.648 50 30 KHEARN C=CCc1cc(C=c2sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O ZINC000252670902 572276484 /nfs/dbraw/zinc/27/64/84/572276484.db2.gz LZVDKQFKHRWIAU-VWLOTQADSA-N 0 0 564.660 3.648 50 30 KHEARN C#CCOc1c(I)cc(C=c2sc3nc4cc(C)c(C)cc4n3c2=O)cc1OC ZINC000252670909 572276476 /nfs/dbraw/zinc/27/64/76/572276476.db2.gz MAKXZPILOYHURO-UHFFFAOYSA-N 0 0 516.360 3.699 50 30 KHEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252671086 572276629 /nfs/dbraw/zinc/27/66/29/572276629.db2.gz MQSNPOSRYMSZHG-HHHXNRCGSA-N 0 0 539.588 3.977 50 30 KHEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252671087 572276573 /nfs/dbraw/zinc/27/65/73/572276573.db2.gz MQSNPOSRYMSZHG-MHZLTWQESA-N 0 0 539.588 3.977 50 30 KHEARN C=CCOc1ccccc1C=c1sc2n(c1=O)[C@H](c1ccccc1OCC)C(C(=O)OCC)=C(C)N=2 ZINC000252671131 572276624 /nfs/dbraw/zinc/27/66/24/572276624.db2.gz MTUAJYDAXNGNOW-RUZDIDTESA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOc1ccccc1C=c1sc2n(c1=O)[C@@H](c1ccccc1OCC)C(C(=O)OCC)=C(C)N=2 ZINC000252671132 572276558 /nfs/dbraw/zinc/27/65/58/572276558.db2.gz MTUAJYDAXNGNOW-VWLOTQADSA-N 0 0 504.608 3.762 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000252671688 572277083 /nfs/dbraw/zinc/27/70/83/572277083.db2.gz NZFDNINOZMCOCV-PMERELPUSA-N 0 0 636.723 3.712 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OCC(=O)OC)c(OCC)c4)c(=O)n32)cc1OCC ZINC000252671689 572277064 /nfs/dbraw/zinc/27/70/64/572277064.db2.gz NZFDNINOZMCOCV-SSEXGKCCSA-N 0 0 636.723 3.712 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000252671956 572277386 /nfs/dbraw/zinc/27/73/86/572277386.db2.gz OSTIYUBMFIRXKP-HHHXNRCGSA-N 0 0 594.686 3.788 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4cc(OC)c(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000252671957 572277399 /nfs/dbraw/zinc/27/73/99/572277399.db2.gz OSTIYUBMFIRXKP-MHZLTWQESA-N 0 0 594.686 3.788 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OCC(=O)OCC)cc4)c(=O)n32)cc1OCC ZINC000252671976 572277379 /nfs/dbraw/zinc/27/73/79/572277379.db2.gz OUCZOYGTUYPHGA-GDLZYMKVSA-N 0 0 606.697 3.704 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OCC(=O)OCC)cc4)c(=O)n32)cc1OCC ZINC000252671977 572277370 /nfs/dbraw/zinc/27/73/70/572277370.db2.gz OUCZOYGTUYPHGA-LJAQVGFWSA-N 0 0 606.697 3.704 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000252672112 572277522 /nfs/dbraw/zinc/27/75/22/572277522.db2.gz PGTHUSBBNJWIFP-AREMUKBSSA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)c(OCC)c2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000252672113 572277521 /nfs/dbraw/zinc/27/75/21/572277521.db2.gz PGTHUSBBNJWIFP-SANMLTNESA-N 0 0 534.634 3.770 50 30 KHEARN C=CCOc1c(I)cc(C=c2sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252672170 572277622 /nfs/dbraw/zinc/27/76/22/572277622.db2.gz PKZLYIGHESPTFS-DEOSSOPVSA-N 0 0 660.486 3.705 50 30 KHEARN C=CCOc1c(I)cc(C=c2sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252672171 572277610 /nfs/dbraw/zinc/27/76/10/572277610.db2.gz PKZLYIGHESPTFS-XMMPIXPASA-N 0 0 660.486 3.705 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000252672805 572278081 /nfs/dbraw/zinc/27/80/81/572278081.db2.gz QOBYGTAFKIFXMB-HHHXNRCGSA-N 0 0 564.660 3.779 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC)c(OC)c4)c(=O)n32)cc1OCC ZINC000252672808 572278035 /nfs/dbraw/zinc/27/80/35/572278035.db2.gz QOBYGTAFKIFXMB-MHZLTWQESA-N 0 0 564.660 3.779 50 30 KHEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000252673967 572278525 /nfs/dbraw/zinc/27/85/25/572278525.db2.gz RRUCMBGWTUFZSI-MUUNZHRXSA-N 0 0 569.614 3.986 50 30 KHEARN CCOC(=O)C1=C(c2ccccc2)N=c2sc(=Cc3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000252673968 572278482 /nfs/dbraw/zinc/27/84/82/572278482.db2.gz RRUCMBGWTUFZSI-NDEPHWFRSA-N 0 0 569.614 3.986 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(NC(C)=O)cc4)c(=O)n32)cc1OCC ZINC000252675024 572278875 /nfs/dbraw/zinc/27/88/75/572278875.db2.gz SRBUGFVPXWAUOZ-HHHXNRCGSA-N 0 0 561.660 3.720 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(NC(C)=O)cc4)c(=O)n32)cc1OCC ZINC000252675025 572278835 /nfs/dbraw/zinc/27/88/35/572278835.db2.gz SRBUGFVPXWAUOZ-MHZLTWQESA-N 0 0 561.660 3.720 50 30 KHEARN C=CCn1cc(C=c2sc3n(c2=O)[C@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000252675375 572279052 /nfs/dbraw/zinc/27/90/52/572279052.db2.gz TXOWNJLWVBTDPC-AREMUKBSSA-N 0 0 513.619 3.948 50 30 KHEARN C=CCn1cc(C=c2sc3n(c2=O)[C@@H](c2ccccc2OC)C(C(=O)OCC)=C(C)N=3)c2ccccc21 ZINC000252675376 572279129 /nfs/dbraw/zinc/27/91/29/572279129.db2.gz TXOWNJLWVBTDPC-SANMLTNESA-N 0 0 513.619 3.948 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(Br)o4)c(=O)n32)cc1 ZINC000252675388 572279069 /nfs/dbraw/zinc/27/90/69/572279069.db2.gz TYMLPFHKXORTGD-NRFANRHFSA-N 0 0 529.412 3.719 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(Br)o4)c(=O)n32)cc1 ZINC000252675389 572279097 /nfs/dbraw/zinc/27/90/97/572279097.db2.gz TYMLPFHKXORTGD-OAQYLSRUSA-N 0 0 529.412 3.719 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(O)c(Br)c4)c(=O)n32)cc1 ZINC000252675577 572279293 /nfs/dbraw/zinc/27/92/93/572279293.db2.gz UKMYYFVAPZGWGM-HSZRJFAPSA-N 0 0 555.450 3.831 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(O)c(Br)c4)c(=O)n32)cc1 ZINC000252675578 572279316 /nfs/dbraw/zinc/27/93/16/572279316.db2.gz UKMYYFVAPZGWGM-QHCPKHFHSA-N 0 0 555.450 3.831 50 30 KHEARN CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)c(OC)c1 ZINC000252675592 572279310 /nfs/dbraw/zinc/27/93/10/572279310.db2.gz ULTGCQWKOSKWFU-HHHXNRCGSA-N 0 0 535.666 3.696 50 30 KHEARN CCN(CC)c1ccc(C=c2sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(C)=O)=C(C)N=3)c(OC)c1 ZINC000252675593 572279348 /nfs/dbraw/zinc/27/93/48/572279348.db2.gz ULTGCQWKOSKWFU-MHZLTWQESA-N 0 0 535.666 3.696 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000252675736 572279387 /nfs/dbraw/zinc/27/93/87/572279387.db2.gz UWUMMSQABAMXJU-HHHXNRCGSA-N 0 0 586.622 3.794 50 30 KHEARN C=CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1 ZINC000252675737 572279374 /nfs/dbraw/zinc/27/93/74/572279374.db2.gz UWUMMSQABAMXJU-MHZLTWQESA-N 0 0 586.622 3.794 50 30 KHEARN C=CCOc1c(Br)cc(C=c2sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252675751 572279372 /nfs/dbraw/zinc/27/93/72/572279372.db2.gz UYNXXXRGUKEKBB-DEOSSOPVSA-N 0 0 613.486 3.863 50 30 KHEARN C=CCOc1c(Br)cc(C=c2sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252675752 572279413 /nfs/dbraw/zinc/27/94/13/572279413.db2.gz UYNXXXRGUKEKBB-XMMPIXPASA-N 0 0 613.486 3.863 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC(C)=O)cc4)c(=O)n32)cc1OCC ZINC000252676357 572280057 /nfs/dbraw/zinc/28/00/57/572280057.db2.gz WWCTYWVUDOXJEU-HHHXNRCGSA-N 0 0 562.644 3.687 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC(C)=O)cc4)c(=O)n32)cc1OCC ZINC000252676358 572280069 /nfs/dbraw/zinc/28/00/69/572280069.db2.gz WWCTYWVUDOXJEU-MHZLTWQESA-N 0 0 562.644 3.687 50 30 KHEARN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC(C)=O)c(OCC)c4)c(=O)n32)cc1 ZINC000252676365 572280090 /nfs/dbraw/zinc/28/00/90/572280090.db2.gz WWJUWHPRXXAFSL-HHHXNRCGSA-N 0 0 562.644 3.687 50 30 KHEARN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3sc(=Cc4ccc(OC(C)=O)c(OCC)c4)c(=O)n32)cc1 ZINC000252676366 572280128 /nfs/dbraw/zinc/28/01/28/572280128.db2.gz WWJUWHPRXXAFSL-MHZLTWQESA-N 0 0 562.644 3.687 50 30 KHEARN C=CCN1c2ccccc2C(=c2sc3n(c2=O)[C@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000252676407 572280092 /nfs/dbraw/zinc/28/00/92/572280092.db2.gz WZVNNGJLVCCUSB-RUZDIDTESA-N 0 0 541.673 3.999 50 30 KHEARN C=CCN1c2ccccc2C(=c2sc3n(c2=O)[C@@H](c2ccc(C(C)(C)C)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000252676408 572280087 /nfs/dbraw/zinc/28/00/87/572280087.db2.gz WZVNNGJLVCCUSB-VWLOTQADSA-N 0 0 541.673 3.999 50 30 KHEARN C=CCOc1ccc(C=c2sc3n(c2=O)[C@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000252676469 572280137 /nfs/dbraw/zinc/28/01/37/572280137.db2.gz 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COc1ccccc1[C@H]1C(C(=O)c2ccc(Br)cc2)=C(O)C(=O)N1CCc1ccc(S(N)(=O)=O)cc1 ZINC000253471776 572289817 /nfs/dbraw/zinc/28/98/17/572289817.db2.gz ZLEYMJIMRXHXKH-QHCPKHFHSA-N 0 0 571.449 3.926 50 30 KHEARN C[C@]12C[C@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@@]43C)[C@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC1CCCCC1 ZINC000253487010 572290131 /nfs/dbraw/zinc/29/01/31/572290131.db2.gz CPWQPDILTSXIIH-FUBOQHQZSA-N 0 0 555.712 3.585 50 30 KHEARN CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C ZINC000253498163 562881865 /nfs/dbraw/zinc/88/18/65/562881865.db2.gz CIWBQSYVNNPZIQ-DFHZOSMLSA-N 0 0 504.595 3.818 50 30 KHEARN CCC(=O)OCC(=O)[C@]1(OC(=O)CC)[C@@H](C)C[C@@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@]21C ZINC000253498164 562881869 /nfs/dbraw/zinc/88/18/69/562881869.db2.gz CIWBQSYVNNPZIQ-UOBCVTLXSA-N 0 0 504.595 3.818 50 30 KHEARN CC[C@]1(C)O[C@@H]2C[C@H](O[C@H]3CC[C@]4(C=O)[C@H]5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@]4(O)C3)O[C@H](C)[C@H]2O1 ZINC000253498894 572292970 /nfs/dbraw/zinc/29/29/70/572292970.db2.gz AREVVFYJJNACSQ-KOWGEUJRSA-N 0 0 588.738 3.968 50 30 KHEARN CC[C@]1(C)O[C@@H]2C[C@H](O[C@H]3CC[C@]4(C=O)[C@H]5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@]4(O)C3)O[C@@H](C)[C@H]2O1 ZINC000253498899 572292965 /nfs/dbraw/zinc/29/29/65/572292965.db2.gz AREVVFYJJNACSQ-MOKUEBKXSA-N 0 0 588.738 3.968 50 30 KHEARN CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3[C@H](OC(=O)CCC(=O)ON3C(=O)CCC3=O)C[C@]12C ZINC000253498901 572292960 /nfs/dbraw/zinc/29/29/60/572292960.db2.gz AKEJUQGOAIWLDQ-QGSYCARVSA-N 0 0 527.614 3.633 50 30 KHEARN CC[C@]1(C)O[C@@H]2C[C@H](O[C@H]3CC[C@]4(C=O)[C@H]5CC[C@]6(C)[C@@H](C7=CC(=O)OC7)CC[C@]6(O)[C@@H]5CC[C@]4(O)C3)O[C@@H](C)[C@@H]2O1 ZINC000253498903 572292962 /nfs/dbraw/zinc/29/29/62/572292962.db2.gz AREVVFYJJNACSQ-VWYKNEFKSA-N 0 0 588.738 3.968 50 30 KHEARN 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30 KHEARN C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](C)(OC(C)=O)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000261491838 572110242 /nfs/dbraw/zinc/11/02/42/572110242.db2.gz AHHKCKIAGSAXCR-BMIOVAIRSA-N 0 0 758.814 3.732 50 30 KHEARN C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](C)(OC(C)=O)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(=O)c2cccnc2)[C@H](O)[C@@H]1OC(C)=O ZINC000261491915 572110389 /nfs/dbraw/zinc/11/03/89/572110389.db2.gz GLYDSECXZWCLMS-XUDHOQTOSA-N 0 0 779.836 3.850 50 30 KHEARN C=C1[C@H](OC(C)=O)[C@H]2[C@@H](OC(=O)c3ccccc3)[C@](C)(OC(C)=O)C[C@]2(O)[C@@H](OC(C)=O)[C@@H](C)/C=C/C(C)(C)[C@H](OC(C)=O)[C@H](O)[C@@H]1OC(=O)C(C)C ZINC000261492376 572110425 /nfs/dbraw/zinc/11/04/25/572110425.db2.gz WITHKWWZWFNDND-LCLAJKOESA-N 0 0 744.831 3.797 50 30 KHEARN CNN=C(c1nc2ccc(Cl)cc2[nH]c1=O)[C@H](O)c1ccc([C@@H](O)C(=NNC)c2nc3ccc(Cl)cc3[nH]c2=O)cc1 ZINC000261493118 572111452 /nfs/dbraw/zinc/11/14/52/572111452.db2.gz 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COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc2ncccc2c1 ZINC000524729582 1066201535 /nfs/dbraw/zinc/20/15/35/1066201535.db2.gz ZJGFCICBTMKSQI-FLXVFZMFSA-N 0 0 615.042 3.737 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc2ncccc2c1 ZINC000524729583 1066201415 /nfs/dbraw/zinc/20/14/15/1066201415.db2.gz ZJGFCICBTMKSQI-UXYCCVNUSA-N 0 0 615.042 3.737 50 30 KHEARN COc1ccc([C@@H]2CC(=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)c(OC)c1 ZINC000524729593 1066201526 /nfs/dbraw/zinc/20/15/26/1066201526.db2.gz ZUEQNXBQSLWOJV-MZTWVUCYSA-N 0 0 527.957 3.855 50 30 KHEARN COc1ccc([C@H]2CC(=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)c(OC)c1 ZINC000524729594 1066201479 /nfs/dbraw/zinc/20/14/79/1066201479.db2.gz ZUEQNXBQSLWOJV-YDWCZGDXSA-N 0 0 527.957 3.855 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(SC)cc1 ZINC000524729688 1066200483 /nfs/dbraw/zinc/20/04/83/1066200483.db2.gz FCQIDIXAVHTQSQ-UDQJOSRYSA-N 0 0 610.088 3.911 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(SC)cc1 ZINC000524729689 1066200821 /nfs/dbraw/zinc/20/08/21/1066200821.db2.gz FCQIDIXAVHTQSQ-ZQQKKWTNSA-N 0 0 610.088 3.911 50 30 KHEARN CCOC(=O)N1CCN(CC(=O)Nc2ccc(C(=O)C3=Cc4c(c(Br)c5c(c4OC)OCO5)CCN3C)cc2)CC1 ZINC000524729752 1066200784 /nfs/dbraw/zinc/20/07/84/1066200784.db2.gz ICQIOPQOJYQMBD-UHFFFAOYSA-N 0 0 629.508 3.611 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc(N3CCCS3(=O)=O)cc2)C[C@H]1C ZINC000524729823 1066201945 /nfs/dbraw/zinc/20/19/45/1066201945.db2.gz LAWRGFNVBNFYLL-PWECECGKSA-N 0 0 533.002 3.816 50 30 KHEARN COc1ccc2cc([C@@H]3CC(=O)NC4=C3C(=O)[C@@]3(Oc5c(c(OC)cc(OC)c5Cl)C3=O)[C@H](C)C4)c(=O)n(C)c2c1 ZINC000524729955 1066202068 /nfs/dbraw/zinc/20/20/68/1066202068.db2.gz PHMLJENVVDKMQE-FSCNSMQBSA-N 0 0 579.005 3.698 50 30 KHEARN COc1ccc2cc([C@H]3CC(=O)NC4=C3C(=O)[C@@]3(Oc5c(c(OC)cc(OC)c5Cl)C3=O)[C@H](C)C4)c(=O)n(C)c2c1 ZINC000524729956 1066201979 /nfs/dbraw/zinc/20/19/79/1066201979.db2.gz PHMLJENVVDKMQE-RZFDVBFWSA-N 0 0 579.005 3.698 50 30 KHEARN COC(=O)c1ccc([C@@H]2CC(=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000524729978 1066201964 /nfs/dbraw/zinc/20/19/64/1066201964.db2.gz PUWLWCJKBPNAIK-MZTWVUCYSA-N 0 0 525.941 3.624 50 30 KHEARN COC(=O)c1ccc([C@H]2CC(=O)NC3=C2C(=O)[C@@]2(Oc4c(c(OC)cc(OC)c4Cl)C2=O)[C@H](C)C3)cc1 ZINC000524729979 1066202023 /nfs/dbraw/zinc/20/20/23/1066202023.db2.gz PUWLWCJKBPNAIK-YDWCZGDXSA-N 0 0 525.941 3.624 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1coc2ccccc2c1=O ZINC000524730030 1066201989 /nfs/dbraw/zinc/20/19/89/1066201989.db2.gz RVSPTHOCZXZFTJ-UKDVYOIMSA-N 0 0 535.936 3.944 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1coc2ccccc2c1=O ZINC000524730031 1066201862 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ZINC000524730604 1066202725 /nfs/dbraw/zinc/20/27/25/1066202725.db2.gz OSMCLKCOCKNQFA-WGUCQXFTSA-N 0 0 565.962 3.953 50 30 KHEARN COc1ccc2occ([C@H]3CC(=O)NC4=C3C(=O)[C@@]3(Oc5c(c(OC)cc(OC)c5Cl)C3=O)[C@H](C)C4)c(=O)c2c1 ZINC000524730605 1066202580 /nfs/dbraw/zinc/20/25/80/1066202580.db2.gz OSMCLKCOCKNQFA-ZLLLFYEHSA-N 0 0 565.962 3.953 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@H]2c1ccc(Cl)cc1 ZINC000524730616 1066202618 /nfs/dbraw/zinc/20/26/18/1066202618.db2.gz PJWQKJGYKSHLMD-IPAQCRBRSA-N 0 0 598.439 3.843 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)Nc1c(c(=O)n(C)c(=O)n1C)[C@@H]2c1ccc(Cl)cc1 ZINC000524730617 1066202706 /nfs/dbraw/zinc/20/27/06/1066202706.db2.gz PJWQKJGYKSHLMD-YXUSKKHYSA-N 0 0 598.439 3.843 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cc2ccccc2n(C)c1=O ZINC000524730756 1066203238 /nfs/dbraw/zinc/20/32/38/1066203238.db2.gz WDXCVZOOWPROJB-BOWJYTNOSA-N 0 0 548.979 3.690 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cc2ccccc2n(C)c1=O ZINC000524730757 1066203359 /nfs/dbraw/zinc/20/33/59/1066203359.db2.gz WDXCVZOOWPROJB-IWZUZTOOSA-N 0 0 548.979 3.690 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cc2cccc3c2n(c1=O)CC3 ZINC000524730771 1066203387 /nfs/dbraw/zinc/20/33/87/1066203387.db2.gz WXEXQSVBDCEYBO-FSCNSMQBSA-N 0 0 560.990 3.709 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cc2cccc3c2n(c1=O)CC3 ZINC000524730772 1066203312 /nfs/dbraw/zinc/20/33/12/1066203312.db2.gz WXEXQSVBDCEYBO-RZFDVBFWSA-N 0 0 560.990 3.709 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cc(OC)c(OC)cc1OC ZINC000524730834 1066202713 /nfs/dbraw/zinc/20/27/13/1066202713.db2.gz YYIOBGRWXIXWJN-UKDVYOIMSA-N 0 0 557.983 3.864 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cc(OC)c(OC)cc1OC ZINC000524730835 1066202629 /nfs/dbraw/zinc/20/26/29/1066202629.db2.gz YYIOBGRWXIXWJN-YRQPMEPRSA-N 0 0 557.983 3.864 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@@H]2c1cccc([N+](=O)[O-])c1 ZINC000524730847 1066204701 /nfs/dbraw/zinc/20/47/01/1066204701.db2.gz ZJFXLKJIXGFEEY-KPMDBSTASA-N 0 0 512.902 3.746 50 30 KHEARN COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C2=C(C[C@H]1C)NC(=O)C[C@H]2c1cccc([N+](=O)[O-])c1 ZINC000524730848 1066204391 /nfs/dbraw/zinc/20/43/91/1066204391.db2.gz ZJFXLKJIXGFEEY-XPZKFQLMSA-N 0 0 512.902 3.746 50 30 KHEARN COC(=O)C[C@@H](c1cccnc1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524731159 1066203957 /nfs/dbraw/zinc/20/39/57/1066203957.db2.gz LQIGIQQYBCVCQT-CIRKLDFFSA-N 0 0 501.919 3.834 50 30 KHEARN COC(=O)C[C@H](c1cccnc1)C1C(=O)C[C@@H](C)[C@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)C1=O ZINC000524731160 1066203693 /nfs/dbraw/zinc/20/36/93/1066203693.db2.gz LQIGIQQYBCVCQT-GLAPUPDPSA-N 0 0 501.919 3.834 50 30 KHEARN 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