smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(S(=O)(=O)c2cc(OC)ccc2S(=O)(=O)c2ccc([C@H](C)NC(=O)C(F)(F)F)cc2)cc1 ZINC000001490839 561676311 /nfs/dbraw/zinc/67/63/11/561676311.db2.gz MFYYUKISGBGOGR-HNNXBMFYSA-N 0 2 557.568 4.109 1 0 KIAFLN CS(=O)(=O)c1ccccc1-c1ccc(N2CCc3c(C(F)(F)F)nn(-c4cccc(-c5n[nH]c(=O)[nH]5)c4)c3C2=O)cc1 ZINC000001494451 561676500 /nfs/dbraw/zinc/67/65/00/561676500.db2.gz LOIQROHBNJYIKB-UHFFFAOYSA-N 0 2 594.575 4.243 1 0 in-vitro KIAFLN CC(C)(c1nc(-c2ccccc2)c(C(=O)OCCCO)s1)c1c(Cl)cc(-n2ncc(=O)[nH]c2=O)cc1Cl ZINC000001550306 561677414 /nfs/dbraw/zinc/67/74/14/561677414.db2.gz LEYVZXFGECLXBO-UHFFFAOYSA-N 0 2 561.447 4.216 1 0 KIAFLN CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cccc(-c3n[nH]c(=O)[nH]3)c2)c(F)c1 ZINC000001551487 561677509 /nfs/dbraw/zinc/67/75/09/561677509.db2.gz YIHPFOJBRPDMES-UHFFFAOYSA-N 0 2 586.527 4.431 1 0 in-vitro KIAFLN Cc1cc(NS(=O)(=O)c2ccc(NC(NC(=O)OC(C)C)(C(F)(F)F)C(F)(F)F)cc2)nc(C)n1 ZINC000001644577 561678289 /nfs/dbraw/zinc/67/82/89/561678289.db2.gz BRGURBGUGHYAFY-UHFFFAOYSA-N 0 2 529.463 4.262 1 0 KIAFLN CCCC(=O)NC(Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)(C(F)(F)F)C(F)(F)F ZINC000001645397 561678314 /nfs/dbraw/zinc/67/83/14/561678314.db2.gz HJTYGWVWKUELMH-UHFFFAOYSA-N 0 2 513.464 4.043 1 0 KIAFLN O=c1c2cc(I)ccc2nc(SCc2n[nH]c(=S)o2)n1Cc1ccccc1 ZINC000001660376 561679061 /nfs/dbraw/zinc/67/90/61/561679061.db2.gz WSULZMQSOMZGIB-UHFFFAOYSA-N 0 2 508.366 4.013 1 0 KIAFLN COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2OC(F)F)CC1 ZINC000003798716 561682491 /nfs/dbraw/zinc/68/24/91/561682491.db2.gz DHUNBQDZUVRCMJ-UHFFFAOYSA-N 0 2 503.477 4.110 1 0 KIAFLN COCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccc5F)co4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000003926113 561686626 /nfs/dbraw/zinc/68/66/26/561686626.db2.gz GVNHCTDFGAQJEV-UHFFFAOYSA-N 0 2 531.496 4.460 1 0 KIAFLN COCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccc(F)cc5)co4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000003926115 561686637 /nfs/dbraw/zinc/68/66/37/561686637.db2.gz WQEWUDDCLBFKFR-UHFFFAOYSA-N 0 2 531.496 4.460 1 0 KIAFLN CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccncc5)co4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000003926116 561686664 /nfs/dbraw/zinc/68/66/64/561686664.db2.gz ZCXHOQKYVQEPQH-UHFFFAOYSA-N 0 2 528.521 4.106 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CC)S(=O)(=O)c2ccc(F)cc2)c[nH+]1 ZINC000003926618 561686804 /nfs/dbraw/zinc/68/68/04/561686804.db2.gz HLWJWYQXKPMJGU-VWLOTQADSA-N 0 2 628.727 4.380 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(C)S(=O)(=O)c2ccc(F)cc2F)c[nH+]1 ZINC000003926641 561686808 /nfs/dbraw/zinc/68/68/08/561686808.db2.gz GYABJXLNGICIQV-QHCPKHFHSA-N 0 2 632.690 4.129 1 0 KIAFLN CCCc1[nH+]c(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000003930671 561687354 /nfs/dbraw/zinc/68/73/54/561687354.db2.gz OVKNBWCRGBBTHM-UHFFFAOYSA-N 0 2 563.666 4.146 1 0 KIAFLN C[N@H+]1CCc2nc(C(=O)Nc3cc(CC(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000003963201 561691320 /nfs/dbraw/zinc/69/13/20/561691320.db2.gz RJAINCFGQGYOGN-UHFFFAOYSA-N 0 2 524.002 4.397 1 0 KIAFLN C[N@@H+]1CCc2nc(C(=O)Nc3cc(CC(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000003963201 561691319 /nfs/dbraw/zinc/69/13/19/561691319.db2.gz RJAINCFGQGYOGN-UHFFFAOYSA-N 0 2 524.002 4.397 1 0 KIAFLN C[N@H+]1CCc2nc(C(=O)Nc3cc(OCC(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000003963202 561691305 /nfs/dbraw/zinc/69/13/05/561691305.db2.gz OBNVLLFTELTAFO-UHFFFAOYSA-N 0 2 540.001 4.234 1 0 KIAFLN C[N@@H+]1CCc2nc(C(=O)Nc3cc(OCC(=O)[O-])ccc3NC(=O)c3cc4cc(Cl)ccc4[nH]3)sc2C1 ZINC000003963202 561691304 /nfs/dbraw/zinc/69/13/04/561691304.db2.gz OBNVLLFTELTAFO-UHFFFAOYSA-N 0 2 540.001 4.234 1 0 KIAFLN CCOc1cc([C@@H](Nc2ccc3c(N)nc[nH+]c3c2)C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1OC(C)C ZINC000003986184 561692746 /nfs/dbraw/zinc/69/27/46/561692746.db2.gz RJZTYJLOIVIZST-RUZDIDTESA-N 0 2 535.626 4.056 1 0 KIAFLN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F ZINC000005579121 561696683 /nfs/dbraw/zinc/69/66/83/561696683.db2.gz ZKEMHJQBTVPBJU-OAQYLSRUSA-N 0 2 560.938 4.101 1 0 KIAFLN CCCCOC(=O)NC(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)(C(F)(F)F)C(F)(F)F ZINC000005729395 561697795 /nfs/dbraw/zinc/69/77/95/561697795.db2.gz SWWRFFGAPVQRMW-UHFFFAOYSA-N 0 2 515.436 4.037 1 0 KIAFLN COc1ccc(NC(C)=O)cc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)[C@H]1c1ccccc1 ZINC000005939602 561700389 /nfs/dbraw/zinc/70/03/89/561700389.db2.gz KYCRVFBVSOXRBJ-FOOGSPQISA-N 0 2 552.605 4.181 1 0 KIAFLN COc1ccc(NC(C)=O)cc1N1C(=O)/C(=C\c2cc(OC)c(OC)c(OC)c2)S(=O)(=O)[C@@H]1c1ccccc1 ZINC000005939603 561700394 /nfs/dbraw/zinc/70/03/94/561700394.db2.gz KYCRVFBVSOXRBJ-GWXSLXSZSA-N 0 2 552.605 4.181 1 0 KIAFLN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1)C(F)(F)F ZINC000006013571 561701893 /nfs/dbraw/zinc/70/18/93/561701893.db2.gz ZKEMHJQBTVPBJU-NRFANRHFSA-N 0 2 560.938 4.101 1 0 KIAFLN COc1ccc(C(C(=O)N2Cc3[nH+]cn(Cc4ccccc4)c3C[C@@H]2C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000013446702 561713060 /nfs/dbraw/zinc/71/30/60/561713060.db2.gz NDEYDBCWODJAPY-HHHXNRCGSA-N 0 2 511.578 4.119 1 0 KIAFLN COc1ccc(C(C(=O)N2Cc3[nH+]cn(Cc4ccccc4)c3C[C@H]2C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000013446705 561713064 /nfs/dbraw/zinc/71/30/64/561713064.db2.gz NDEYDBCWODJAPY-MHZLTWQESA-N 0 2 511.578 4.119 1 0 KIAFLN CC(=O)Nc1ccc(Cn2c[nH+]c3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1 ZINC000013446855 561713212 /nfs/dbraw/zinc/71/32/12/561713212.db2.gz BELTUIDMZQPEKW-MHZLTWQESA-N 0 2 508.578 4.060 1 0 KIAFLN CC(=O)Nc1ccc(Cn2c[nH+]c3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000013446904 561713272 /nfs/dbraw/zinc/71/32/72/561713272.db2.gz SHYNAFMKOCVPFC-NDEPHWFRSA-N 0 2 522.605 4.368 1 0 KIAFLN COc1ccc(Cn2c[nH+]c3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1OC ZINC000013446911 561713283 /nfs/dbraw/zinc/71/32/83/561713283.db2.gz MKLHJGBSMOQUKG-VWLOTQADSA-N 0 2 511.578 4.119 1 0 KIAFLN CCCCc1[nH+]cc(/C=C2\C(=O)NC(=O)N2CCCC)n1Cc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000013743380 561726466 /nfs/dbraw/zinc/72/64/66/561726466.db2.gz YBEVDQXWKKPKBI-CPNJWEJPSA-N 0 2 527.569 4.228 1 0 KIAFLN COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@H]2Cc2ccc(O)cc2)cc1O ZINC000013760685 561727634 /nfs/dbraw/zinc/72/76/34/561727634.db2.gz KSITVHDHIJKJBG-QMHKHESXSA-N 0 2 506.507 4.095 1 0 KIAFLN NC(=O)c1ccc(S(=O)(=O)Nc2cccc([C@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761661 561727879 /nfs/dbraw/zinc/72/78/79/561727879.db2.gz BYLKXTBRJNXJAX-XMMPIXPASA-N 0 2 522.623 4.446 1 0 KIAFLN NC(=O)c1ccc(S(=O)(=O)Nc2cccc([C@@H](c3c(O)c4c(oc3=O)CCCCCC4)C3CC3)c2)cc1 ZINC000013761662 561727984 /nfs/dbraw/zinc/72/79/84/561727984.db2.gz BYLKXTBRJNXJAX-DEOSSOPVSA-N 0 2 522.623 4.446 1 0 KIAFLN Cc1cc(C)c(NC(=O)[C@H](CC(=O)[O-])NC(=O)c2ccc3c(cnn3CCCNc3cccc[nH+]3)c2)c(C)c1 ZINC000013803653 561731160 /nfs/dbraw/zinc/73/11/60/561731160.db2.gz GZANBCNEMWBMBU-QHCPKHFHSA-N 0 2 528.613 4.071 1 0 KIAFLN O=C(NCc1ccc(OCc2ccc3ccccc3n2)cc1)c1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC000013804810 561731313 /nfs/dbraw/zinc/73/13/13/561731313.db2.gz CHNHDJKUMQWGKG-UHFFFAOYSA-N 0 2 504.506 4.030 1 0 KIAFLN Nc1ccc(C[C@@H](C(=O)[O-])c2cn(C[C@@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)c[nH+]1 ZINC000013985384 561736166 /nfs/dbraw/zinc/73/61/66/561736166.db2.gz HXXCJSGIRMLZRA-JYFHCDHNSA-N 0 2 523.637 4.342 1 0 KIAFLN Nc1ccc(C[C@H](C(=O)[O-])c2cn(C[C@@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)c[nH+]1 ZINC000013985389 561736149 /nfs/dbraw/zinc/73/61/49/561736149.db2.gz HXXCJSGIRMLZRA-OZXSUGGESA-N 0 2 523.637 4.342 1 0 KIAFLN Nc1ccc(C[C@H](C(=O)[O-])c2cn(C[C@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)c[nH+]1 ZINC000013985394 561736112 /nfs/dbraw/zinc/73/61/12/561736112.db2.gz HXXCJSGIRMLZRA-BVAGGSTKSA-N 0 2 523.637 4.342 1 0 KIAFLN Nc1ccc(C[C@@H](C(=O)[O-])c2cn(C[C@H]3CCCN(C(=O)C(c4ccccc4)c4ccccc4)C3)cn2)c[nH+]1 ZINC000013999549 561736122 /nfs/dbraw/zinc/73/61/22/561736122.db2.gz HXXCJSGIRMLZRA-ZEQKJWHPSA-N 0 2 523.637 4.342 1 0 KIAFLN CC1(C)[C@H]2C[C@@H]1CC[C@H]2NC(=O)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O ZINC000014140256 581093152 /nfs/dbraw/zinc/09/31/52/581093152.db2.gz VLJGQKSFQGNOAP-XGINMYPSSA-N 0 2 531.396 4.280 1 0 KIAFLN CC1(C)[C@H]2C[C@@H]1CC[C@@H]2NC(=O)c1cc(Oc2c(Cl)cc(-n3ncc(=O)[nH]c3=O)cc2Cl)ccc1O ZINC000014140258 581093037 /nfs/dbraw/zinc/09/30/37/581093037.db2.gz VLJGQKSFQGNOAP-UVIMBBFXSA-N 0 2 531.396 4.280 1 0 KIAFLN CCOc1cc([C@H](Nc2ccc3c(N)nc[nH+]c3c2)C(=O)[N-]S(=O)(=O)c2ccccc2)ccc1OC(C)C ZINC000014191608 561737627 /nfs/dbraw/zinc/73/76/27/561737627.db2.gz RJZTYJLOIVIZST-VWLOTQADSA-N 0 2 535.626 4.056 1 0 KIAFLN CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)C[N@@H+](Cc2cncs2)Cc2ccccc2)CC1)C(=O)[O-] ZINC000014963987 561749334 /nfs/dbraw/zinc/74/93/34/561749334.db2.gz CEKADIOTDWYKGE-NDEPHWFRSA-N 0 2 592.787 4.462 1 0 KIAFLN CSCC[C@H](NC(=O)C1=C(c2ccccc2C)CN(C(=O)C[N@H+](Cc2cncs2)Cc2ccccc2)CC1)C(=O)[O-] ZINC000014963987 561749332 /nfs/dbraw/zinc/74/93/32/561749332.db2.gz CEKADIOTDWYKGE-NDEPHWFRSA-N 0 2 592.787 4.462 1 0 KIAFLN COc1ccccc1COCCCOc1ccc(N2C(=O)C[NH2+]C[C@@H]2COc2ccc3c(c2)N(CCC(=O)[O-])CCC3)cc1 ZINC000014966567 561749992 /nfs/dbraw/zinc/74/99/92/561749992.db2.gz FMXZUNZJIFSWPW-MUUNZHRXSA-N 0 2 603.716 4.292 1 0 KIAFLN CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc(O)c1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000016052450 561753859 /nfs/dbraw/zinc/75/38/59/561753859.db2.gz MQZZULHKSPXDHA-IZZNHLLZSA-N 0 2 553.706 4.051 1 0 in-vitro KIAFLN CCCc1[nH+]c(CNC(=O)OC(C)(C)C)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026290100 561780475 /nfs/dbraw/zinc/78/04/75/561780475.db2.gz CLEHJTRAGJJQHS-UHFFFAOYSA-N 0 2 517.590 4.454 1 0 KIAFLN CCCc1[nH+]c(CN2CCN(C(=O)c3ccccc3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1 ZINC000026294312 561781159 /nfs/dbraw/zinc/78/11/59/561781159.db2.gz PBWQZPAURAFUFL-UHFFFAOYSA-N 0 2 590.688 4.387 1 0 KIAFLN CCCc1[nH+]c(CN2CCN(c3ccccn3)CC2)c(C(=O)[O-])n1Cc1ccc(-c2ccccc2-c2nn[nH]n2)cc1F ZINC000026296593 561781642 /nfs/dbraw/zinc/78/16/42/561781642.db2.gz YXTFWWJTCDDZKP-UHFFFAOYSA-N 0 2 581.656 4.286 1 0 KIAFLN C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CSc1n[nH]c(=O)[nH]1)c1ccccc1 ZINC000026575833 561799603 /nfs/dbraw/zinc/79/96/03/561799603.db2.gz YVEBPEWSUNJAFH-WOFUMCRMSA-N 0 2 671.824 4.197 1 0 KIAFLN CC(C)C[C@@H]1OC(=O)C(C)(C)CNC(=O)[C@@H](Cc2cccnc2)NC(=O)/C=C/C[C@@H]([C@H](C)/C=C/c2ccccc2)OC1=O ZINC000026575970 561799693 /nfs/dbraw/zinc/79/96/93/561799693.db2.gz XJIYSMBKKHONIX-GWUNXBGMSA-N 0 2 589.733 4.430 1 0 KIAFLN CCOC(=O)c1sc(Nc2nc3ncn(CC)c3c(N3CCc4cc(OC)c(OC)cc4C3)n2)nc1C ZINC000026744997 561818686 /nfs/dbraw/zinc/81/86/86/561818686.db2.gz WPBJNPWTPNIZFT-UHFFFAOYSA-N 0 2 523.619 4.111 1 0 KIAFLN CCOC(=O)c1sc(Nc2nc3ncn(CC)c3c(NCc3cc(OC)c(OC)c(OC)c3)n2)nc1C ZINC000026749099 561819399 /nfs/dbraw/zinc/81/93/99/561819399.db2.gz JFQLSQCAJVPOTP-UHFFFAOYSA-N 0 2 527.607 4.169 1 0 KIAFLN COc1ccccc1N1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C(C)C)c3c2OC(F)F)CC1 ZINC000026824175 561821591 /nfs/dbraw/zinc/82/15/91/561821591.db2.gz RXILPTTUFHLRGL-UHFFFAOYSA-N 0 2 505.493 4.356 1 0 KIAFLN COc1cccc(N2CCN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5)c4c3OC(F)F)CC2)c1 ZINC000026834046 561823657 /nfs/dbraw/zinc/82/36/57/561823657.db2.gz SNKXXVQKHPUSPC-UHFFFAOYSA-N 0 2 503.477 4.110 1 0 KIAFLN CNC(=O)Nc1ccc(Cn2c[nH+]c3c2C[C@@H](C(=O)[O-])N(C(=O)C(c2ccccc2)c2ccccc2)C3)cc1C ZINC000026968776 561830186 /nfs/dbraw/zinc/83/01/86/561830186.db2.gz IRCOXRKHLWAZNH-MHZLTWQESA-N 0 2 537.620 4.161 1 0 KIAFLN COc1ccc(C(C(=O)N2Cc3[nH+]cn(Cc4ccc(OC)c(C)c4)c3C[C@H]2C(=O)[O-])c2ccc(OC)cc2)cc1 ZINC000026975235 561830864 /nfs/dbraw/zinc/83/08/64/561830864.db2.gz MLUVSCJIUYUZMT-NDEPHWFRSA-N 0 2 555.631 4.436 1 0 KIAFLN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000026976473 561830908 /nfs/dbraw/zinc/83/09/08/561830908.db2.gz PHJAQQYVZYKVSA-NRSKXHDUSA-N 0 2 641.856 4.110 1 0 KIAFLN CC[C@@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000026976473 561830906 /nfs/dbraw/zinc/83/09/06/561830906.db2.gz PHJAQQYVZYKVSA-NRSKXHDUSA-N 0 2 641.856 4.110 1 0 KIAFLN CC[C@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000026976482 561830881 /nfs/dbraw/zinc/83/08/81/561830881.db2.gz PHJAQQYVZYKVSA-QZFRTWIZSA-N 0 2 641.856 4.110 1 0 KIAFLN CC[C@H](C)[C@@H](C[N@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)CS(=O)(=O)Cc1ccccc1 ZINC000026976482 561830879 /nfs/dbraw/zinc/83/08/79/561830879.db2.gz PHJAQQYVZYKVSA-QZFRTWIZSA-N 0 2 641.856 4.110 1 0 KIAFLN CC[C@@H](C)[C@@H](C[N@@H+](CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NC(=O)C[S@@](=O)Cc1ccccc1 ZINC000026985410 561831872 /nfs/dbraw/zinc/83/18/72/561831872.db2.gz NINTVJYZUKLUJG-DAHMASKPSA-N 0 2 625.857 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/nfs/dbraw/zinc/83/30/52/561833052.db2.gz NEXBQRDJLYHMGP-UHFFFAOYSA-N 0 2 572.441 4.272 1 0 KIAFLN Cc1ccc(-c2c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ncnc2OCCOc2ncc(CO)cn2)cc1 ZINC000027073244 561833866 /nfs/dbraw/zinc/83/38/66/561833866.db2.gz ZYKPJIDIIVSKGM-UHFFFAOYSA-N 0 2 549.653 4.290 1 0 KIAFLN O=C([O-])C[C@H](NC(=O)CN1CC[C@H](CCc2ccc3c([nH+]2)NCCC3)C1=O)c1ccc(-c2ccccc2)c(F)c1 ZINC000027081812 561835123 /nfs/dbraw/zinc/83/51/23/561835123.db2.gz LHGHYRBRMNOGPF-CUNXSJBXSA-N 0 2 544.627 4.359 1 0 KIAFLN CCC(=O)O[C@H](C)OP(=O)(C[NH2+][C@@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)[O-])O[C@@H](C)OC(=O)CC ZINC000027557221 561869877 /nfs/dbraw/zinc/86/98/77/561869877.db2.gz CLLRCZZUHAVRPO-WATLYSKOSA-N 0 2 606.609 4.227 1 0 KIAFLN CCC(=O)O[C@H](C)OP(=O)(C[NH2+][C@H](Cc1ccc(-c2ccccc2)cc1)C(=O)NCCC(=O)[O-])O[C@@H](C)OC(=O)CC ZINC000027557225 561869900 /nfs/dbraw/zinc/86/99/00/561869900.db2.gz CLLRCZZUHAVRPO-STWLZBDKSA-N 0 2 606.609 4.227 1 0 KIAFLN 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AIWPMGMGPHDOPW-SECBINFHSA-N 0 2 522.282 4.369 1 0 KIAFLN CCOC(=O)c1c(Cl)cccc1-c1cnc([C@@H](C)NC(=O)C2(NC(=O)C(F)(F)F)CC2)c(F)c1 ZINC000028822452 561966967 /nfs/dbraw/zinc/96/69/67/561966967.db2.gz MHDZUPQTJWSBJV-LLVKDONJSA-N 0 2 501.864 4.106 1 0 KIAFLN NS(=O)(=O)c1ccc(-c2cnc3c(c2)/C(=C/c2cc(Br)c(O)c(Br)c2)C(=O)N3)cc1 ZINC000028823935 561968770 /nfs/dbraw/zinc/96/87/70/561968770.db2.gz MFKBKCAIVNHEFA-WCSRMQSCSA-N 0 2 551.216 4.119 1 0 KIAFLN CC(C)(C)OC(=O)NCCCCCCNC(=O)COc1cc(O)c2c(c1)occ(-c1ccc(O)cc1)c2=O ZINC000028827370 561971760 /nfs/dbraw/zinc/97/17/60/561971760.db2.gz HZSIRKVWEQGPAH-UHFFFAOYSA-N 0 2 526.586 4.451 1 0 KIAFLN CCOc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1 ZINC000028898481 561979522 /nfs/dbraw/zinc/97/95/22/561979522.db2.gz OBCSDSHYTFJHSC-HNNXBMFYSA-N 0 2 595.614 4.390 1 0 KIAFLN COCCOc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1 ZINC000028898495 561979470 /nfs/dbraw/zinc/97/94/70/561979470.db2.gz DSEHSTJUDXRTMH-INIZCTEOSA-N 0 2 625.640 4.017 1 0 KIAFLN Cc1ccc(S(=O)(=O)c2ccc([C@H](C)NS(=O)(=O)C(F)(F)F)cc2)c(S(=O)(=O)c2ccccc2F)c1 ZINC000028898506 561979494 /nfs/dbraw/zinc/97/94/94/561979494.db2.gz HQIYCFVTNCPHPF-HNNXBMFYSA-N 0 2 565.588 4.300 1 0 KIAFLN C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(N)cccc2F)cc1 ZINC000028898783 561979513 /nfs/dbraw/zinc/97/95/13/561979513.db2.gz ASXWXYDLQSHXSE-LBPRGKRZSA-N 0 2 601.021 4.227 1 0 KIAFLN C[C@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2c(F)cccc2N2CCOCC2)cc1 ZINC000028898886 561979549 /nfs/dbraw/zinc/97/95/49/561979549.db2.gz PFDGOGZICDKRKH-INIZCTEOSA-N 0 2 671.112 4.482 1 0 KIAFLN CC(C)N1c2ccccc2CC[C@@H](NC(=O)[C@@H](Cc2ccccc2OC(F)(F)F)NC(=O)C(F)(F)F)C1=O ZINC000028958001 561983457 /nfs/dbraw/zinc/98/34/57/561983457.db2.gz IEIVKNUCYLLKCL-QZTJIDSGSA-N 0 2 545.480 4.047 1 0 KIAFLN CC(C)(C)OC(=O)NCCCCCC(=O)Oc1cc(-c2oc3cc(O)cc(O)c3c(=O)c2O)ccc1O ZINC000028966306 561985173 /nfs/dbraw/zinc/98/51/73/561985173.db2.gz SJAIHUVENWGGRZ-UHFFFAOYSA-N 0 2 515.515 4.273 1 0 KIAFLN O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3[nH]cc(CCc4ccccc4)[nH+]3)cc2)S(=O)(=O)[N-]1 ZINC000028978033 561987569 /nfs/dbraw/zinc/98/75/69/561987569.db2.gz WGCMBTDMQOGRIE-UIOOFZCWSA-N 0 2 582.679 4.327 1 0 KIAFLN O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3[nH]cc(CCc4ccccc4)[nH+]3)cc2)S(=O)(=O)[N-]1 ZINC000028978038 561987533 /nfs/dbraw/zinc/98/75/33/561987533.db2.gz WGCMBTDMQOGRIE-FTJBHMTQSA-N 0 2 582.679 4.327 1 0 KIAFLN O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(F)c3)c3[nH]cc(CCc4ccccc4)[nH+]3)cc2)S(=O)(=O)[N-]1 ZINC000028978044 561987577 /nfs/dbraw/zinc/98/75/77/561987577.db2.gz WGCMBTDMQOGRIE-IZZNHLLZSA-N 0 2 582.679 4.327 1 0 KIAFLN O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(F)c3)c3[nH]cc(CCc4ccccc4)[nH+]3)cc2)S(=O)(=O)[N-]1 ZINC000028978049 561987530 /nfs/dbraw/zinc/98/75/30/561987530.db2.gz WGCMBTDMQOGRIE-CLJLJLNGSA-N 0 2 582.679 4.327 1 0 KIAFLN COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)[nH+]1 ZINC000028978108 561987574 /nfs/dbraw/zinc/98/75/74/561987574.db2.gz DAZSGUOJKRVDFC-NAKRPHOHSA-N 0 2 700.767 4.354 1 0 KIAFLN COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)[nH+]1 ZINC000028978114 561987725 /nfs/dbraw/zinc/98/77/25/561987725.db2.gz DAZSGUOJKRVDFC-LSYYVWMOSA-N 0 2 700.767 4.354 1 0 KIAFLN COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)[nH+]1 ZINC000028978119 561987742 /nfs/dbraw/zinc/98/77/42/561987742.db2.gz DAZSGUOJKRVDFC-LEAFIULHSA-N 0 2 700.767 4.354 1 0 KIAFLN COC(=O)c1c(O)cccc1OCCCc1c[nH]c([C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)[nH+]1 ZINC000028978125 561987731 /nfs/dbraw/zinc/98/77/31/561987731.db2.gz DAZSGUOJKRVDFC-LBNVMWSVSA-N 0 2 700.767 4.354 1 0 KIAFLN 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CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029043225 561991916 /nfs/dbraw/zinc/99/19/16/561991916.db2.gz UTROKXVHDAJHMN-BQHSLXGWSA-N 0 2 655.862 4.078 1 0 KIAFLN CC[C@H](C)[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029043225 561991914 /nfs/dbraw/zinc/99/19/14/561991914.db2.gz UTROKXVHDAJHMN-BQHSLXGWSA-N 0 2 655.862 4.078 1 0 KIAFLN COc1c(N2CCc3ccccc3[C@@H]2C(=O)NC(C)(C)C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 ZINC000029123136 561996451 /nfs/dbraw/zinc/99/64/51/561996451.db2.gz LCVHFIQFXOQEDU-JOCHJYFZSA-N 0 2 507.562 4.201 1 0 KIAFLN COc1c(N2CCc3ccccc3[C@H]2C(=O)NC(C)(C)C)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 ZINC000029123137 561996486 /nfs/dbraw/zinc/99/64/86/561996486.db2.gz LCVHFIQFXOQEDU-QFIPXVFZSA-N 0 2 507.562 4.201 1 0 KIAFLN COc1c(N2CCC(n3c(=O)[nH]c4cc(Cl)ccc43)CC2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 ZINC000029123647 561996809 /nfs/dbraw/zinc/99/68/09/561996809.db2.gz BIUQITIOADYVMM-UHFFFAOYSA-N 0 2 526.952 4.320 1 0 KIAFLN COc1ccc2c(c1)nc(-n1c[nH+]c(C)c1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000029342208 562015480 /nfs/dbraw/zinc/01/54/80/562015480.db2.gz MGRYRDPHJWDTIT-MCQSFFMYSA-N 0 2 702.809 4.459 1 0 KIAFLN COc1ccc2c(c1)nc(-n1cc[nH+]c1)cc2O[C@@H]1C[C@H]2C(=O)N[C@]3(C(=O)[O-])C[C@H]3/C=C\CCCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N2C1 ZINC000029342953 562015724 /nfs/dbraw/zinc/01/57/24/562015724.db2.gz PARUNSVMNWGMTP-XZDVLMJXSA-N 0 2 688.782 4.151 1 0 KIAFLN CCN(CC)C(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000029464657 562023829 /nfs/dbraw/zinc/02/38/29/562023829.db2.gz HVVVVBGJNRFLMC-CPFCZLQXSA-N 0 2 518.739 4.094 1 0 KIAFLN COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@@H]2CCC[C@@H]2Cc2ccc(O)cc2)cc1O ZINC000029469449 562025211 /nfs/dbraw/zinc/02/52/11/562025211.db2.gz KSITVHDHIJKJBG-WAIKUNEKSA-N 0 2 506.507 4.095 1 0 KIAFLN COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@@H]2Cc2ccc(O)cc2)cc1O ZINC000029469452 562025138 /nfs/dbraw/zinc/02/51/38/562025138.db2.gz KSITVHDHIJKJBG-MWTRTKDXSA-N 0 2 506.507 4.095 1 0 KIAFLN COC(=O)c1cccc(O)c1C(=O)c1c(O)cc(C(=O)O[C@H]2CCC[C@H]2Cc2ccc(O)cc2)cc1O ZINC000029469455 562025167 /nfs/dbraw/zinc/02/51/67/562025167.db2.gz KSITVHDHIJKJBG-HJPURHCSSA-N 0 2 506.507 4.095 1 0 KIAFLN O=c1[nH]nc(CN2CCO[C@H](OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)[C@@H]2c2ccccc2)[nH]1 ZINC000029473675 562026091 /nfs/dbraw/zinc/02/60/91/562026091.db2.gz OYKIXMQKLMUJEK-RBUKOAKNSA-N 0 2 502.415 4.252 1 0 KIAFLN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@@H]2CC(c3cc(I)c(O)c(I)c3)=NO2)cc1 ZINC000029475041 562026298 /nfs/dbraw/zinc/02/62/98/562026298.db2.gz ABGTXQWLLGMUSE-IBGZPJMESA-N 0 2 689.269 4.048 1 0 KIAFLN NS(=O)(=O)c1ccccc1-c1ccc(NC(=O)[C@H]2CC(c3cc(I)c(O)c(I)c3)=NO2)cc1 ZINC000029475045 562026265 /nfs/dbraw/zinc/02/62/65/562026265.db2.gz ABGTXQWLLGMUSE-LJQANCHMSA-N 0 2 689.269 4.048 1 0 KIAFLN 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CCOCCC1(Oc2ccc(Oc3ccc(C(=O)NCc4ccccc4F)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000034802368 562041864 /nfs/dbraw/zinc/04/18/64/562041864.db2.gz FWIRQPTYAFFUNS-UHFFFAOYSA-N 0 2 535.528 4.299 1 0 KIAFLN CCOCCC1(Oc2ccc(Oc3ccc(C(=O)NCc4cccc(F)c4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000034802370 562041921 /nfs/dbraw/zinc/04/19/21/562041921.db2.gz CACMQTZSAXPCFI-UHFFFAOYSA-N 0 2 535.528 4.299 1 0 KIAFLN CCOCCC1(Oc2ccc(Oc3ccc(C(=O)NCc4ccc(F)cc4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000034802373 562041912 /nfs/dbraw/zinc/04/19/12/562041912.db2.gz HXWAXUQSZMRTTE-UHFFFAOYSA-N 0 2 535.528 4.299 1 0 KIAFLN CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccccn5)no4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000034802381 562041858 /nfs/dbraw/zinc/04/18/58/562041858.db2.gz FUUSOAVBYCIIOJ-UHFFFAOYSA-N 0 2 529.509 4.341 1 0 KIAFLN CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5cccnc5)no4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000034802385 562041846 /nfs/dbraw/zinc/04/18/46/562041846.db2.gz ONEARHBMUZXDAC-UHFFFAOYSA-N 0 2 529.509 4.341 1 0 KIAFLN CCOCCC1(Oc2ccc(Oc3ccc(-c4nc(-c5ccncc5)no4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000034802388 562041849 /nfs/dbraw/zinc/04/18/49/562041849.db2.gz QKSNNIINMGAXNH-UHFFFAOYSA-N 0 2 529.509 4.341 1 0 KIAFLN CCOCCC1(Oc2ccc(Oc3ccc(C(=O)Nc4ccccc4)cc3)cc2)C(=O)NC(=O)NC1=O ZINC000034802396 562041903 /nfs/dbraw/zinc/04/19/03/562041903.db2.gz NWCAKMHOURFTPM-UHFFFAOYSA-N 0 2 503.511 4.482 1 0 KIAFLN C[C@]([NH3+])(CO[P@](=O)([O-])O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 ZINC000035802910 562045345 /nfs/dbraw/zinc/04/53/45/562045345.db2.gz PZYBHVNEGCWQOZ-DEOSSOPVSA-N 0 2 504.907 4.394 1 0 KIAFLN C[C@]([NH3+])(CO[P@@](=O)([O-])O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3Cl)cc2)cc1 ZINC000035802910 562045343 /nfs/dbraw/zinc/04/53/43/562045343.db2.gz PZYBHVNEGCWQOZ-DEOSSOPVSA-N 0 2 504.907 4.394 1 0 KIAFLN CCCCc1[nH+]cc(/C=C2/C(=O)NC(=O)N2CCCC)n1Cc1ccc([N-]S(=O)(=O)C(F)(F)F)cc1 ZINC000036222414 562051663 /nfs/dbraw/zinc/05/16/63/562051663.db2.gz YBEVDQXWKKPKBI-UYRXBGFRSA-N 0 2 527.569 4.228 1 0 KIAFLN CC(=O)SCC[C@@H](CCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)SC(C)=O ZINC000036757854 562061307 /nfs/dbraw/zinc/06/13/07/562061307.db2.gz WZYHYLGLNJTVHU-FGZHOGPDSA-N 0 2 554.756 4.296 1 0 KIAFLN CC(=O)SCC[C@H](CCCCC(=O)N(C)CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)SC(C)=O ZINC000036757855 562061298 /nfs/dbraw/zinc/06/12/98/562061298.db2.gz WZYHYLGLNJTVHU-FCHUYYIVSA-N 0 2 554.756 4.296 1 0 KIAFLN CC(=O)SCC[C@@H](CCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)SC(C)=O ZINC000036757856 562061387 /nfs/dbraw/zinc/06/13/87/562061387.db2.gz WZYHYLGLNJTVHU-YADHBBJMSA-N 0 2 554.756 4.296 1 0 KIAFLN CC(=O)SCC[C@H](CCCCC(=O)N(C)CCOc1ccc(C[C@@H]2SC(=O)NC2=O)cc1)SC(C)=O ZINC000036757857 562061279 /nfs/dbraw/zinc/06/12/79/562061279.db2.gz WZYHYLGLNJTVHU-VXKWHMMOSA-N 0 2 554.756 4.296 1 0 KIAFLN O=C(N[C@@H](Cc1ccccc1)[C@H](O)CN1C/C=C/CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000038148660 581099800 /nfs/dbraw/zinc/09/98/00/581099800.db2.gz FSOOXQRRZAINCT-GWKPLILISA-N 0 2 530.662 4.185 1 0 KIAFLN O=C(N[C@H](Cc1ccccc1)[C@H](O)CN1C/C=C/CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000038148661 581099806 /nfs/dbraw/zinc/09/98/06/581099806.db2.gz FSOOXQRRZAINCT-FTGDZLQMSA-N 0 2 530.662 4.185 1 0 KIAFLN Cn1c2cc(S(=O)(=O)NCCn3cccc3)c(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)NC1=O ZINC000042852181 581095683 /nfs/dbraw/zinc/09/56/83/581095683.db2.gz AZMMYOSJQFVWKQ-UHFFFAOYSA-N 0 2 549.008 4.021 1 0 KIAFLN COc1cc(-c2cc(SC)nc([N-]c3nc(NC(C)C)[nH+]c(NC(C)C)n3)n2)cc(OC)c1OC ZINC000043070501 562645494 /nfs/dbraw/zinc/64/54/94/562645494.db2.gz YDSSMUVBJXZFAZ-UHFFFAOYSA-N 0 2 500.629 4.461 1 0 KIAFLN CCCNc1nc([N-]c2nc(SC)cc(-c3cc(OC)c(OC)c(OC)c3)n2)nc(NCCC)[nH+]1 ZINC000043119447 562645997 /nfs/dbraw/zinc/64/59/97/562645997.db2.gz JTSJQDSQHDXZKJ-UHFFFAOYSA-N 0 2 500.629 4.464 1 0 KIAFLN O=S(=O)(N[C@@H]1CC[C@@]2(S(=O)(=O)c3ccc(Cl)cc3)c3c(F)ccc(F)c3OC[C@H]2C1)C(F)(F)F ZINC000043154114 562646499 /nfs/dbraw/zinc/64/64/99/562646499.db2.gz UCUHPRBZQBMMNA-MVBJNABHSA-N 0 2 545.935 4.288 1 0 KIAFLN CC(C)[N@H+]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CCC(=O)Nc3ccc(Cl)cn3)sc2C1 ZINC000043200607 562646896 /nfs/dbraw/zinc/64/68/96/562646896.db2.gz URIGUYOGTATLRP-UHFFFAOYSA-N 0 2 528.034 4.480 1 0 KIAFLN CC(C)[N@@H+]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CCC(=O)Nc3ccc(Cl)cn3)sc2C1 ZINC000043200607 562646895 /nfs/dbraw/zinc/64/68/95/562646895.db2.gz URIGUYOGTATLRP-UHFFFAOYSA-N 0 2 528.034 4.480 1 0 KIAFLN CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc([C@H]4CCN(C)CC4(F)F)cc3)ncc2c1=O ZINC000044307177 562653936 /nfs/dbraw/zinc/65/39/36/562653936.db2.gz QZCQOYQWDNEOJU-RUZDIDTESA-N 0 2 560.605 4.359 1 0 KIAFLN CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(Nc3ccc([C@@H]4CCN(C)CC4(F)F)cc3)ncc2c1=O ZINC000044307181 562653939 /nfs/dbraw/zinc/65/39/39/562653939.db2.gz QZCQOYQWDNEOJU-VWLOTQADSA-N 0 2 560.605 4.359 1 0 KIAFLN CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C[NH+]4CCOCC4)cc3)cc2)cc1)C(=O)[O-] ZINC000044404810 562656522 /nfs/dbraw/zinc/65/65/22/562656522.db2.gz BIGVIBMQYZAYSD-MUUNZHRXSA-N 0 2 538.666 4.152 1 0 KIAFLN COc1c(N2CCN(c3nnc(-c4ccc([N+](=O)[O-])s4)s3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 ZINC000044406134 562656761 /nfs/dbraw/zinc/65/67/61/562656761.db2.gz OOXJXVXDRJWBGQ-GFCCVEGCSA-N 0 2 586.627 4.386 1 0 KIAFLN COc1c(N2CCN(c3nnc(-c4ccccc4[N+](=O)[O-])s3)[C@H](C)C2)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c21 ZINC000044430585 562657564 /nfs/dbraw/zinc/65/75/64/562657564.db2.gz ZGOKRLYYMCLRDJ-CQSZACIVSA-N 0 2 580.598 4.324 1 0 KIAFLN COc1cc(/C=C/C(=O)OC[C@H](Cc2ccc(O)c(OC)c2)[C@H](CO)Cc2ccc(O)c(OC)c2)ccc1O ZINC000044430865 291840411 /nfs/dbraw/zinc/84/04/11/291840411.db2.gz YXLRFCDMMBITIW-ZDRWSHPDSA-N 0 2 538.593 4.096 1 0 biogenic,in-vitro KIAFLN COc1ccc(-c2oc3c(Br)c(OC)c(Br)c(=O)c-3c(O)c2OC)cc1O ZINC000049071592 562664137 /nfs/dbraw/zinc/66/41/37/562664137.db2.gz XRBRDMFKWYVSKH-UHFFFAOYSA-N 0 2 502.111 4.422 1 0 KIAFLN C[C@]([NH3+])(CO[P@](=O)([O-])O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000049113985 562664685 /nfs/dbraw/zinc/66/46/85/562664685.db2.gz CUPKVALESCTXBT-DEOSSOPVSA-N 0 2 504.907 4.394 1 0 KIAFLN C[C@]([NH3+])(CO[P@@](=O)([O-])O)C(=O)Nc1ccc(OCCc2ccc(-c3ccccc3)cc2)c(Cl)c1 ZINC000049113985 562664684 /nfs/dbraw/zinc/66/46/84/562664684.db2.gz CUPKVALESCTXBT-DEOSSOPVSA-N 0 2 504.907 4.394 1 0 KIAFLN O=C(/C=C/c1cccc2c1N(S(=O)(=O)c1ccc3ccccc3c1)CC2)NS(=O)(=O)c1cccs1 ZINC000049694402 562669306 /nfs/dbraw/zinc/66/93/06/562669306.db2.gz ZMMBWYWEVQMARK-ACCUITESSA-N 0 2 524.645 4.171 1 0 KIAFLN CCNC(=O)c1ccc(Oc2ccc(Cc3nn[nH]n3)cc2)c(NS(=O)(=O)c2ccc(Cl)cc2Cl)c1 ZINC000049694811 562669832 /nfs/dbraw/zinc/66/98/32/562669832.db2.gz KTHUNWJBUYRSPB-UHFFFAOYSA-N 0 2 547.424 4.440 1 0 KIAFLN CCN(CC)C(=O)COc1cc(=O)c2c(O)c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(OCC(=O)N(CC)CC)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000049694896 562669907 /nfs/dbraw/zinc/66/99/07/562669907.db2.gz DQCHMRGPCMAMAF-RYWJPUDZSA-N 0 2 706.745 4.248 1 0 KIAFLN CCN(CC)C(=O)COc1cc(=O)c2c(O)c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(OCC(=O)N(CC)CC)c(OC)c3)[C@H](CO)O4)oc-2c1 ZINC000049694897 562669959 /nfs/dbraw/zinc/66/99/59/562669959.db2.gz DQCHMRGPCMAMAF-ARPOTICCSA-N 0 2 706.745 4.248 1 0 KIAFLN CCN(CC)C(=O)COc1cc(=O)c2c(O)c(O)c(-c3ccc4c(c3)O[C@H](c3ccc(OCC(=O)N(CC)CC)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049694898 562669944 /nfs/dbraw/zinc/66/99/44/562669944.db2.gz DQCHMRGPCMAMAF-JRYPVQGPSA-N 0 2 706.745 4.248 1 0 KIAFLN CCN(CC)C(=O)COc1cc(=O)c2c(O)c(O)c(-c3ccc4c(c3)O[C@@H](c3ccc(OCC(=O)N(CC)CC)c(OC)c3)[C@@H](CO)O4)oc-2c1 ZINC000049694899 562669921 /nfs/dbraw/zinc/66/99/21/562669921.db2.gz DQCHMRGPCMAMAF-GERKYKROSA-N 0 2 706.745 4.248 1 0 KIAFLN COc1ccc2c(c1)OCCC/C=C/CC[C@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]3OCC[C@@H]13)S2(=O)=O ZINC000049710648 562671823 /nfs/dbraw/zinc/67/18/23/562671823.db2.gz ZQTXOGGDJIFYFB-BEHCGCTHSA-N 0 2 658.814 4.291 1 0 KIAFLN CCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CC[NH+](C(C)C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049710800 562671795 /nfs/dbraw/zinc/67/17/95/562671795.db2.gz BXHZXVQXVWMBRV-NDEPHWFRSA-N 0 2 637.778 4.044 1 0 KIAFLN CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1 ZINC000049762018 562676328 /nfs/dbraw/zinc/67/63/28/562676328.db2.gz CCZVFJNHEWMYTR-UHFFFAOYSA-N 0 2 621.096 4.322 1 0 KIAFLN CCO[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)Oc1c(OC)cc(-c2cc(O)c3c(=O)cc(O)cc-3o2)cc1OC ZINC000049762311 562676438 /nfs/dbraw/zinc/67/64/38/562676438.db2.gz DIWWAPBABNONJI-IXCJQBJRSA-N 0 2 554.548 4.120 1 0 KIAFLN CCO[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)Oc1c(OC)cc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1OC ZINC000049762311 562676437 /nfs/dbraw/zinc/67/64/37/562676437.db2.gz DIWWAPBABNONJI-IXCJQBJRSA-N 0 2 554.548 4.120 1 0 KIAFLN CC(C)C1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2ccc(Cl)cc2S(=O)(=O)c2ccccc2F)CC1 ZINC000049771254 562678040 /nfs/dbraw/zinc/67/80/40/562678040.db2.gz AZNRMDXFHFVMEA-UHFFFAOYSA-N 0 2 621.096 4.178 1 0 KIAFLN CCCC=Cc1cccc(C=CC(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000049777743 562680480 /nfs/dbraw/zinc/68/04/80/562680480.db2.gz GAPGBCMVKYYLTD-XMURYDHPSA-N 0 2 663.775 4.209 1 0 KIAFLN CCC/C=C/c1cccc(C=CC(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])c1 ZINC000049777743 562680479 /nfs/dbraw/zinc/68/04/79/562680479.db2.gz GAPGBCMVKYYLTD-XMURYDHPSA-N 0 2 663.775 4.209 1 0 KIAFLN CCCCCc1ccc(C=CC(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000049777744 562680468 /nfs/dbraw/zinc/68/04/68/562680468.db2.gz TXOAOQHMXQFKBS-JFBZLCAUSA-N 0 2 665.791 4.128 1 0 KIAFLN CCCCCc1ccc(C=CC(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000049777744 562680467 /nfs/dbraw/zinc/68/04/67/562680467.db2.gz TXOAOQHMXQFKBS-JFBZLCAUSA-N 0 2 665.791 4.128 1 0 KIAFLN CCCCCc1ccc(CCC(=O)N[C@H](Cc2c[nH]c[nH+]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000049777823 562680548 /nfs/dbraw/zinc/68/05/48/562680548.db2.gz GTDVHSWNLPUFJK-GMTSZFNJSA-N 0 2 667.807 4.048 1 0 KIAFLN CCCCCc1ccc(CCC(=O)N[C@H](Cc2c[nH+]c[nH]2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000049777823 562680547 /nfs/dbraw/zinc/68/05/47/562680547.db2.gz GTDVHSWNLPUFJK-GMTSZFNJSA-N 0 2 667.807 4.048 1 0 KIAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC000049778024 562680793 /nfs/dbraw/zinc/68/07/93/562680793.db2.gz VEFXZZWWSVNSSU-IMKBVMFZSA-N 0 2 705.768 4.071 1 0 KIAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC000049778024 562680792 /nfs/dbraw/zinc/68/07/92/562680792.db2.gz VEFXZZWWSVNSSU-IMKBVMFZSA-N 0 2 705.768 4.071 1 0 KIAFLN CCCCCc1ccccc1CCC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049781002 562682537 /nfs/dbraw/zinc/68/25/37/562682537.db2.gz ZRXNKRZQEGFFHJ-GMTSZFNJSA-N 0 2 667.807 4.048 1 0 KIAFLN CCCCCc1ccccc1CCC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000049781002 562682536 /nfs/dbraw/zinc/68/25/36/562682536.db2.gz ZRXNKRZQEGFFHJ-GMTSZFNJSA-N 0 2 667.807 4.048 1 0 KIAFLN O=C(/C=C/c1cccc2c1N(Cc1ccc3ccccc3c1)C(=O)C21OCCO1)NS(=O)(=O)c1cccs1 ZINC000049802896 562685972 /nfs/dbraw/zinc/68/59/72/562685972.db2.gz TVFUWQICEYGEHW-OUKQBFOZSA-N 0 2 546.626 4.166 1 0 KIAFLN CC(=O)Cn1c(C)cc2c1cccc2-n1nc(C(=O)Nc2nnc(S(N)(=O)=O)s2)c(C(=O)c2ccccc2)c1-c1ccccc1 ZINC000049823216 562687124 /nfs/dbraw/zinc/68/71/24/562687124.db2.gz TWDZVSFDJAHALH-UHFFFAOYSA-N 0 2 639.719 4.374 1 0 KIAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccccc1OCc1ccccc1 ZINC000049863653 562689134 /nfs/dbraw/zinc/68/91/34/562689134.db2.gz WALAGVQZMWWJFG-AFEGWXKPSA-N 0 2 705.768 4.071 1 0 KIAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccccc1OCc1ccccc1 ZINC000049863653 562689133 /nfs/dbraw/zinc/68/91/33/562689133.db2.gz WALAGVQZMWWJFG-AFEGWXKPSA-N 0 2 705.768 4.071 1 0 KIAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC000049863738 562689154 /nfs/dbraw/zinc/68/91/54/562689154.db2.gz VEFXZZWWSVNSSU-XFQWPLCWSA-N 0 2 705.768 4.071 1 0 KIAFLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)OCc1ccc(OCc2ccccc2)cc1 ZINC000049863738 562689153 /nfs/dbraw/zinc/68/91/53/562689153.db2.gz VEFXZZWWSVNSSU-XFQWPLCWSA-N 0 2 705.768 4.071 1 0 KIAFLN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)[P@](=O)([O-])O ZINC000049888921 562691586 /nfs/dbraw/zinc/69/15/86/562691586.db2.gz FBFSIBXOKRUJPP-ZDUSSCGKSA-N 0 2 686.946 4.003 1 0 KIAFLN [NH3+][C@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)[P@@](=O)([O-])O ZINC000049888921 562691585 /nfs/dbraw/zinc/69/15/85/562691585.db2.gz FBFSIBXOKRUJPP-ZDUSSCGKSA-N 0 2 686.946 4.003 1 0 KIAFLN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)[P@](=O)([O-])O ZINC000049888922 562691615 /nfs/dbraw/zinc/69/16/15/562691615.db2.gz FBFSIBXOKRUJPP-CYBMUJFWSA-N 0 2 686.946 4.003 1 0 KIAFLN [NH3+][C@@H](Cc1cc(I)c(Oc2ccc(O)c(I)c2)c(I)c1)[P@@](=O)([O-])O ZINC000049888922 562691614 /nfs/dbraw/zinc/69/16/14/562691614.db2.gz FBFSIBXOKRUJPP-CYBMUJFWSA-N 0 2 686.946 4.003 1 0 KIAFLN NS(=O)(=O)c1nnc(NC(=O)c2nn(-c3cccc(I)c3)c(-c3ccccc3)c2C(=O)c2ccccc2)s1 ZINC000049899640 562693304 /nfs/dbraw/zinc/69/33/04/562693304.db2.gz AMAKPAWXPWLJCM-UHFFFAOYSA-N 0 2 656.487 4.126 1 0 KIAFLN CCC[NH+](CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC)CCO[P@](=O)([O-])O ZINC000049942299 562695446 /nfs/dbraw/zinc/69/54/46/562695446.db2.gz QEYXKNVAIMOMBW-UHFFFAOYSA-N 0 2 649.592 4.155 1 0 KIAFLN CCC[NH+](CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC)CCO[P@@](=O)([O-])O ZINC000049942299 562695445 /nfs/dbraw/zinc/69/54/45/562695445.db2.gz QEYXKNVAIMOMBW-UHFFFAOYSA-N 0 2 649.592 4.155 1 0 KIAFLN CCC[N@@H+](CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC)CCOP(=O)([O-])O ZINC000049942299 562695444 /nfs/dbraw/zinc/69/54/44/562695444.db2.gz QEYXKNVAIMOMBW-UHFFFAOYSA-N 0 2 649.592 4.155 1 0 KIAFLN CCC[N@H+](CCCOc1cc2ncnc(Nc3cc(CC(=O)Nc4cccc(F)c4F)[nH]n3)c2cc1OC)CCOP(=O)([O-])O ZINC000049942299 562695443 /nfs/dbraw/zinc/69/54/43/562695443.db2.gz QEYXKNVAIMOMBW-UHFFFAOYSA-N 0 2 649.592 4.155 1 0 KIAFLN O=C(NCCO)c1ccccc1Oc1ncc(Cl)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000053294221 562697205 /nfs/dbraw/zinc/69/72/05/562697205.db2.gz JPSNCFIAJUMDJJ-UHFFFAOYSA-N 0 2 516.790 4.357 1 0 KIAFLN C[C@](Cc1ccc(Oc2cc(N3CC[NH+](Cc4ccco4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000056948330 562697868 /nfs/dbraw/zinc/69/78/68/562697868.db2.gz RFJPDQMAQLEIQG-GDLZYMKVSA-N 0 2 529.597 4.231 1 0 KIAFLN C[N@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000058536400 562698715 /nfs/dbraw/zinc/69/87/15/562698715.db2.gz CDTCGYREXCFZHW-VWLOTQADSA-N 0 2 502.502 4.229 1 0 KIAFLN C[N@@H+]1CCN(c2cc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)[O-])cn3-c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000058536400 562698714 /nfs/dbraw/zinc/69/87/14/562698714.db2.gz CDTCGYREXCFZHW-VWLOTQADSA-N 0 2 502.502 4.229 1 0 KIAFLN CN1C[C@H]([C@@H](CC(=O)[O-])CC2CCN(C(=O)CCc3ccc4c([nH+]3)NCCC4)CC2)Cc2ccccc21 ZINC000058655402 562701317 /nfs/dbraw/zinc/70/13/17/562701317.db2.gz JJAXPFWZGVIPSO-JWQCQUIFSA-N 0 2 504.675 4.401 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CC)C(=O)c2ccoc2)c[nH+]1 ZINC000059634432 562702082 /nfs/dbraw/zinc/70/20/82/562702082.db2.gz LCKQLWMWSSFPLR-QHCPKHFHSA-N 0 2 564.643 4.285 1 0 KIAFLN COc1ccc(OC)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000059671390 562702123 /nfs/dbraw/zinc/70/21/23/562702123.db2.gz YBWDLCOOFPEQLA-UHFFFAOYSA-N 0 2 523.596 4.105 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CC)C(=O)N2CCCCC2)c[nH+]1 ZINC000060152425 562702564 /nfs/dbraw/zinc/70/25/64/562702564.db2.gz ADRBWUVQHKFVMS-DEOSSOPVSA-N 0 2 581.718 4.457 1 0 KIAFLN CCCC1(CNS(=O)(=O)C(F)(F)F)CCN(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)CC1 ZINC000064513001 562706323 /nfs/dbraw/zinc/70/63/23/562706323.db2.gz JIXYPWKVLZXOPX-UHFFFAOYSA-N 0 2 625.688 4.028 1 0 KIAFLN C[C@@H](NS(=O)(=O)C(F)(F)F)c1ccc(S(=O)(=O)c2cc3ccccc3n2S(=O)(=O)c2ccccc2F)cc1 ZINC000064527881 562707221 /nfs/dbraw/zinc/70/72/21/562707221.db2.gz RXJBQXMIMNIVGU-OAHLLOKOSA-N 0 2 590.598 4.350 1 0 KIAFLN COc1ccc(S(=O)(=O)Nc2nc(NCCc3ccccc3)nc3c2CN(Cc2ccccc2)CC3)cc1 ZINC000064528090 562707268 /nfs/dbraw/zinc/70/72/68/562707268.db2.gz SIAHGWYDQGQGCQ-UHFFFAOYSA-N 0 2 529.666 4.499 1 0 KIAFLN CC(C)(C(=O)[O-])c1ccc(Nc2nc(N3CCOCC3)[nH+]c3c2CCN(c2ncccc2C(F)(F)F)CC3)cc1 ZINC000064549658 562708083 /nfs/dbraw/zinc/70/80/83/562708083.db2.gz UVIIAVDBGUZZMG-UHFFFAOYSA-N 0 2 556.589 4.438 1 0 KIAFLN Cn1c[nH+]c(C[C@H](NC(=O)c2c(Cl)cc3c(c2Cl)CCN(C(=O)c2ccc(Cl)cc2)C3)C(=O)[O-])c1 ZINC000066104224 562711648 /nfs/dbraw/zinc/71/16/48/562711648.db2.gz 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/nfs/dbraw/zinc/72/18/18/562721818.db2.gz OZDWWCLOUIHTHL-UHFFFAOYSA-N 0 2 697.770 4.006 1 0 KIAFLN O=C(O)c1cn(C2CC2)c2cc(N3CCN(c4nnc(-c5ccccc5Cl)o4)CC3)c(F)cc2c1=O ZINC000072114670 562722804 /nfs/dbraw/zinc/72/28/04/562722804.db2.gz JGCSUBLZQKGUKX-UHFFFAOYSA-N 0 2 509.925 4.204 1 0 KIAFLN CC(C)(C)CNC(=O)c1ccc(N2CCN(S(=O)(=O)c3ccc(OC(F)(F)F)cc3)[C@H](C(=O)NCc3ccc(OC(F)(F)F)cc3)C2)nn1 ZINC000072133991 562727108 /nfs/dbraw/zinc/72/71/08/562727108.db2.gz QPPMVDJEDQFPDJ-DEOSSOPVSA-N 0 2 718.677 4.246 1 0 KIAFLN O=C(Cn1c(=O)ccc2ccc(OC(F)(F)F)cc21)Nc1scc(Br)c1-c1nc[nH]n1 ZINC000072179285 562732273 /nfs/dbraw/zinc/73/22/73/562732273.db2.gz VFFOCQZCDTURBY-UHFFFAOYSA-N 0 2 514.283 4.148 1 0 KIAFLN O=C(Cn1c(=O)ccc2cc(OC(F)(F)F)ccc21)Nc1scc(Br)c1-c1nc[nH]n1 ZINC000072179348 562732287 /nfs/dbraw/zinc/73/22/87/562732287.db2.gz BZKOXELLQJFKSQ-UHFFFAOYSA-N 0 2 514.283 4.148 1 0 KIAFLN Cc1c(C)c(C)c(S(=O)(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(C)c1C ZINC000073138833 562733415 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/nfs/dbraw/zinc/73/41/87/562734187.db2.gz XZXSUAFUHUKODO-ZDUSSCGKSA-N 0 2 549.074 4.132 1 0 KIAFLN COC[C@@H](C)[N@H+]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000073162335 562734197 /nfs/dbraw/zinc/73/41/97/562734197.db2.gz XZXSUAFUHUKODO-CYBMUJFWSA-N 0 2 549.074 4.132 1 0 KIAFLN COC[C@@H](C)[N@@H+]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000073162335 562734196 /nfs/dbraw/zinc/73/41/96/562734196.db2.gz XZXSUAFUHUKODO-CYBMUJFWSA-N 0 2 549.074 4.132 1 0 KIAFLN CC[N@H+]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000073166284 562734510 /nfs/dbraw/zinc/73/45/10/562734510.db2.gz HLRIBEFLRCDWPG-UHFFFAOYSA-N 0 2 505.021 4.117 1 0 KIAFLN CC[N@@H+]1CCc2nc(C(=O)Nc3cc(C(=O)[O-])ccc3CNC(=O)c3ccc(Cl)s3)sc2C1 ZINC000073166284 562734509 /nfs/dbraw/zinc/73/45/09/562734509.db2.gz HLRIBEFLRCDWPG-UHFFFAOYSA-N 0 2 505.021 4.117 1 0 KIAFLN COc1ccc2c(c1)onc2-n1c2ccc(C(F)(F)F)cc2n(Cc2ccccc2[C@@]2(C)OC(=O)NC2=O)c1=O ZINC000073198143 562735538 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562741025 /nfs/dbraw/zinc/74/10/25/562741025.db2.gz AFUWPEOWPXLCKP-UHFFFAOYSA-N 0 2 580.431 4.176 1 0 KIAFLN CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F ZINC000082190990 562742618 /nfs/dbraw/zinc/74/26/18/562742618.db2.gz ZWPLFWZKNKBVOQ-MUUNZHRXSA-N 0 2 639.002 4.201 1 0 KIAFLN CCOC(=O)[C@](NC(=O)c1cccc(Cl)c1)(N1CCN(c2cc3c(cc2F)c(=O)c(C(=O)O)cn3C2CC2)CC1)C(F)(F)F ZINC000082190992 562742654 /nfs/dbraw/zinc/74/26/54/562742654.db2.gz ZWPLFWZKNKBVOQ-NDEPHWFRSA-N 0 2 639.002 4.201 1 0 KIAFLN COc1ccc2c(c1)onc2-n1c2ccccc2n(Cc2cc([C@@]3(C)OC(=O)NC3=O)ccc2Cl)c1=O ZINC000084538133 562743309 /nfs/dbraw/zinc/74/33/09/562743309.db2.gz VCGPMOWAJJLSHO-AREMUKBSSA-N 0 2 518.913 4.125 1 0 KIAFLN CC(=O)Oc1c(I)c(=O)c2c(O)cc(-c3ccccc3)oc-2c1I ZINC000084587681 562743553 /nfs/dbraw/zinc/74/35/53/562743553.db2.gz HRFNZPJECXVSNL-UHFFFAOYSA-N 0 2 548.070 4.300 1 0 KIAFLN 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O=C([O-])[C@H](Cc1ccc(OCCc2ccc3c([nH+]2)NCCO3)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084654033 562747171 /nfs/dbraw/zinc/74/71/71/562747171.db2.gz VFNZJTWWZVYTGA-FQEVSTJZSA-N 0 2 516.381 4.240 1 0 KIAFLN O=C([O-])[C@H](Cc1ccc(NC(=O)Cc2ccc3c([nH+]2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084668402 562747579 /nfs/dbraw/zinc/74/75/79/562747579.db2.gz PQPGXHCKTBRKTN-NRFANRHFSA-N 0 2 527.408 4.353 1 0 KIAFLN O=C([O-])[C@H](Cc1ccc(C(=O)NCc2ccc3c([nH+]2)NCCC3)cc1)NC(=O)c1c(Cl)cccc1Cl ZINC000084668403 562747610 /nfs/dbraw/zinc/74/76/10/562747610.db2.gz QKJVOACJWLIFLA-NRFANRHFSA-N 0 2 527.408 4.102 1 0 KIAFLN COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CC[NH+]2CCN(CC2)C1=O ZINC000084704837 562749868 /nfs/dbraw/zinc/74/98/68/562749868.db2.gz ZTGRINHKBSIIFP-UHFFFAOYSA-N 0 2 617.772 4.401 1 0 KIAFLN COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CC[N@H+](C)CCNC1=O ZINC000084711663 562750687 /nfs/dbraw/zinc/75/06/87/562750687.db2.gz CWCGVQWNFKNRDV-UHFFFAOYSA-N 0 2 605.761 4.304 1 0 KIAFLN COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N(C)CC[N@@H+](C)CCNC1=O ZINC000084711663 562750686 /nfs/dbraw/zinc/75/06/86/562750686.db2.gz CWCGVQWNFKNRDV-UHFFFAOYSA-N 0 2 605.761 4.304 1 0 KIAFLN COc1ccc2c(c1)C=C1Cn3c4cc(ccc4c(C4CCCCC4)c3-2)C(=O)[N-]S(=O)(=O)N2CC[NH+](CCNC1=O)CC2 ZINC000084711665 562750663 /nfs/dbraw/zinc/75/06/63/562750663.db2.gz HZBZHBNFMGUGEK-UHFFFAOYSA-N 0 2 603.745 4.058 1 0 KIAFLN CC(C)Cc1cc(-c2oc3cc(O)cc(OCC(CO)CO)c3c(=O)c2O)cc(Cc2ccccc2)c1O ZINC000085569406 560069958 /nfs/dbraw/zinc/06/99/58/560069958.db2.gz JMNWAPVMSZFGLT-UHFFFAOYSA-N 0 2 520.578 4.346 1 0 biogenic,in-vitro KIAFLN CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095536874 562754233 /nfs/dbraw/zinc/75/42/33/562754233.db2.gz NPJPHFZTIUODRY-CAASSERTSA-N 0 2 747.830 4.146 1 0 KIAFLN CC(C)C[C@H](NC(=O)/C=C/c1ccc(O[P@@](=O)([O-])O)cc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000095536874 562754232 /nfs/dbraw/zinc/75/42/32/562754232.db2.gz NPJPHFZTIUODRY-CAASSERTSA-N 0 2 747.830 4.146 1 0 KIAFLN COC(=O)[C@@H](NC(=O)O[C@@H](C)CNc1nc(NCc2ccc(OC)c(OC)c2)c2nc(NC[C@@H](C)O)nc(NCc3ccc(OC)c(OC)c3)c2n1)C(C)C ZINC000095548031 562759089 /nfs/dbraw/zinc/75/90/89/562759089.db2.gz ZQWXVKQOMHCSIC-BXOOBUKZSA-N 0 2 765.869 4.195 1 0 KIAFLN COC(=O)[C@@H](NC(=O)O[C@H](C)CNc1nc(NCc2ccc(OC)c(OC)c2)c2nc(NC[C@@H](C)O)nc(NCc3ccc(OC)c(OC)c3)c2n1)C(C)C ZINC000095548032 562759074 /nfs/dbraw/zinc/75/90/74/562759074.db2.gz ZQWXVKQOMHCSIC-QLVXXPONSA-N 0 2 765.869 4.195 1 0 KIAFLN COC(=O)[C@@H](NC(=O)O[C@@H](C)CNc1nc(NCc2ccc(OC)c(OC)c2)c2nc(NC[C@H](C)O)nc(NCc3ccc(OC)c(OC)c3)c2n1)C(C)C ZINC000095548033 562759069 /nfs/dbraw/zinc/75/90/69/562759069.db2.gz ZQWXVKQOMHCSIC-SYZUXVNWSA-N 0 2 765.869 4.195 1 0 KIAFLN COC(=O)[C@@H](NC(=O)O[C@H](C)CNc1nc(NCc2ccc(OC)c(OC)c2)c2nc(NC[C@H](C)O)nc(NCc3ccc(OC)c(OC)c3)c2n1)C(C)C ZINC000095548034 562759090 /nfs/dbraw/zinc/75/90/90/562759090.db2.gz ZQWXVKQOMHCSIC-KERYWQKISA-N 0 2 765.869 4.195 1 0 KIAFLN COC(Cc1cccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3cccc(CC(OC)OC)c3)S2(=O)=O)c1)OC ZINC000095548342 562759310 /nfs/dbraw/zinc/75/93/10/562759310.db2.gz OPGMBBOOHWIFIQ-JFDQHVTASA-N 0 2 750.911 4.189 1 0 KIAFLN O=S1(=O)N(CCN2CCN(CCN3CCN(Cc4cccc(Oc5ccccc5)c4)S3(=O)=O)CC2)CCN1Cc1cccc(Oc2ccccc2)c1 ZINC000095549351 562759891 /nfs/dbraw/zinc/75/98/91/562759891.db2.gz YOBNONMYMAYASD-UHFFFAOYSA-N 0 2 746.956 4.314 1 0 KIAFLN O=S(=O)(NCc1ccccc1)Nc1ncnc(OCCOc2ncc(Br)cn2)c1-c1ccc(Br)cc1 ZINC000095552225 562760597 /nfs/dbraw/zinc/76/05/97/562760597.db2.gz VIQIKJNRAFJKTQ-UHFFFAOYSA-N 0 2 636.326 4.363 1 0 KIAFLN CCCCS(=O)(=O)Nc1nc(-c2ncccn2)nc(OCCOc2ncc(Br)cn2)c1Oc1ccccc1OC ZINC000095552921 562760808 /nfs/dbraw/zinc/76/08/08/562760808.db2.gz YPXSZXRASAVIKK-UHFFFAOYSA-N 0 2 632.497 4.287 1 0 KIAFLN COc1ccccc1Oc1c(NS(=O)(=O)CCc2ccccc2)nc(-c2ncccn2)nc1OCCOc1ncc(C)cn1 ZINC000095554067 562761157 /nfs/dbraw/zinc/76/11/57/562761157.db2.gz IBQQNRNUTUTRGT-UHFFFAOYSA-N 0 2 615.672 4.275 1 0 KIAFLN O=C(c1cccc(NS(=O)(=O)c2ccccn2)c1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 ZINC000095562078 562763602 /nfs/dbraw/zinc/76/36/02/562763602.db2.gz PRZNECJSFLHDEH-UHFFFAOYSA-N 0 2 514.032 4.108 1 0 KIAFLN COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3c(NC(=O)c4nc5ccccc5s4)cccc3C(=O)N([C@H](C)CO)C[C@@H]2C)cc1 ZINC000095568804 562766899 /nfs/dbraw/zinc/76/68/99/562766899.db2.gz KAALVGCYIKJORN-UNVFRBQDSA-N 0 2 638.768 4.098 1 0 KIAFLN Cc1noc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)C(=O)Nc1ccc(C(F)(F)F)cc1)O2 ZINC000095569086 562767202 /nfs/dbraw/zinc/76/72/02/562767202.db2.gz UJFZKFFXBWJNCG-QLODZENZSA-N 0 2 653.680 4.495 1 0 KIAFLN COc1ccc(NC(=O)N(C)C[C@H]2Oc3c(NS(=O)(=O)c4ccc(F)cc4)cccc3C(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095570423 562768247 /nfs/dbraw/zinc/76/82/47/562768247.db2.gz QVMULHANBBKMOE-IOKPGSKQSA-N 0 2 614.696 4.019 1 0 KIAFLN O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2[C@@H]2CCS(=O)(=O)C2)cc1F ZINC000095580822 562772001 /nfs/dbraw/zinc/77/20/01/562772001.db2.gz RMROSNPTSRGODX-CYBMUJFWSA-N 0 2 588.039 4.286 1 0 KIAFLN O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(Cl)cc2-c2ccnn2[C@H]2CCS(=O)(=O)C2)cc1F ZINC000095580823 562771990 /nfs/dbraw/zinc/77/19/90/562771990.db2.gz RMROSNPTSRGODX-ZDUSSCGKSA-N 0 2 588.039 4.286 1 0 KIAFLN O=C([O-])c1ccc(COc2ccccc2C[NH+]2CCN(C(=O)CNC(=O)CC34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000095581010 562772043 /nfs/dbraw/zinc/77/20/43/562772043.db2.gz WAECHHXURRHDMD-UHFFFAOYSA-N 0 2 559.707 4.331 1 0 KIAFLN O=S(=O)(Nc1ncns1)c1cc(F)c(Oc2ccc(OC(F)F)cc2-c2cn[nH]c2)cc1F ZINC000095582653 562772643 /nfs/dbraw/zinc/77/26/43/562772643.db2.gz KARURLYELGQKFC-UHFFFAOYSA-N 0 2 501.443 4.401 1 0 KIAFLN O=S(=O)(Nc1nncs1)c1cc(Cl)c(Oc2ccc(Cl)cc2-c2ccnn2CCO)cc1F ZINC000095583292 562772876 /nfs/dbraw/zinc/77/28/76/562772876.db2.gz WZSKBMXMMSIIGB-UHFFFAOYSA-N 0 2 530.390 4.433 1 0 KIAFLN NC(=O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)n[nH]2)cc1 ZINC000095584073 562773108 /nfs/dbraw/zinc/77/31/08/562773108.db2.gz VLZISEKSOZZEEZ-UHFFFAOYSA-N 0 2 509.491 4.244 1 0 KIAFLN NC(=O)c1cc(S(=O)(=O)Nc2nccs2)ccc1Oc1ccc(-c2cc(C(F)(F)F)[nH]n2)cc1 ZINC000095584073 562773107 /nfs/dbraw/zinc/77/31/07/562773107.db2.gz VLZISEKSOZZEEZ-UHFFFAOYSA-N 0 2 509.491 4.244 1 0 KIAFLN O=S(=O)(Nc1nncs1)c1cc(F)c(Oc2ccc(Cl)cc2-c2cc(N3CCOCC3)ncn2)cc1F ZINC000095585752 562773684 /nfs/dbraw/zinc/77/36/84/562773684.db2.gz USRIIONRYIQMBT-UHFFFAOYSA-N 0 2 566.999 4.356 1 0 KIAFLN CCOC(=O)Cn1nccc1-c1cc(F)ccc1Oc1ccc(S(=O)(=O)Nc2nccs2)cc1F ZINC000095585838 562773730 /nfs/dbraw/zinc/77/37/30/562773730.db2.gz KWULGBMRSFRJQP-UHFFFAOYSA-N 0 2 520.539 4.441 1 0 KIAFLN COc1ccc(CN2CCN(CC(=O)Nc3ccc4c(c3)CCc3nnc(-c5cccc(Cl)c5)n3-4)CC2)cc1 ZINC000095586611 562774057 /nfs/dbraw/zinc/77/40/57/562774057.db2.gz DFVBEAKPIDTTPC-UHFFFAOYSA-N 0 2 543.071 4.451 1 0 KIAFLN COc1cc2c(c(OC)c1OC)-c1c3cc4c(c1O[C@](C)([C@H](C)CO)C(=O)O[C@@H]2[C@@H](C)[C@@H](C)C3)OCO4 ZINC000095593261 562776205 /nfs/dbraw/zinc/77/62/05/562776205.db2.gz GHEBHJULQBRZNT-RKZUNUFISA-N 0 2 514.571 4.300 1 0 KIAFLN CCOC(=O)N1CCC([N@@H+]2CCC[C@@H](NC(=O)c3cc(Br)cc(Br)c3)C2)CC1 ZINC000095593460 562776253 /nfs/dbraw/zinc/77/62/53/562776253.db2.gz KTCRERUXCWRGKR-QGZVFWFLSA-N 0 2 517.262 4.027 1 0 KIAFLN CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(C)c2oc(=O)c(-c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000095593495 562776223 /nfs/dbraw/zinc/77/62/23/562776223.db2.gz MCGLSALMSGKRAM-JOCHJYFZSA-N 0 2 524.595 4.150 1 0 KIAFLN CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(C)c2oc(=O)c(-c3cc(OC)c(OC)c(OC)c3)cc2c1 ZINC000095593496 562776227 /nfs/dbraw/zinc/77/62/27/562776227.db2.gz MCGLSALMSGKRAM-QFIPXVFZSA-N 0 2 524.595 4.150 1 0 KIAFLN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)c(O)c2)cc1 ZINC000095601440 562779625 /nfs/dbraw/zinc/77/96/25/562779625.db2.gz USWFOEFCJBKVMP-UHFFFAOYSA-N 0 2 524.580 4.163 1 0 KIAFLN COc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1 ZINC000095601460 562779632 /nfs/dbraw/zinc/77/96/32/562779632.db2.gz NOABWMRJBKLIIA-UHFFFAOYSA-N 0 2 508.581 4.457 1 0 KIAFLN COc1ccc(C(=O)Nc2ccc(C(=O)N(C)c3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1 ZINC000095602564 562780153 /nfs/dbraw/zinc/78/01/53/562780153.db2.gz UGAXXYJZAODDIW-UHFFFAOYSA-N 0 2 522.608 4.481 1 0 KIAFLN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1 ZINC000095603183 562780416 /nfs/dbraw/zinc/78/04/16/562780416.db2.gz XTQSPCGYXGIPRB-UHFFFAOYSA-N 0 2 544.636 4.006 1 0 KIAFLN COC(=O)c1ccc(C(=O)Nc2ccc(C(=O)Nc3ccc(S(=O)(=O)Nc4nccs4)cc3)cc2)cc1 ZINC000095603940 562780755 /nfs/dbraw/zinc/78/07/55/562780755.db2.gz PIFZILMNARRKPO-UHFFFAOYSA-N 0 2 536.591 4.235 1 0 KIAFLN C[C@@](Cc1ccc(Oc2cc(N3CC[NH+](Cc4ccccn4)CC3)nc(N)n2)cc1)(Oc1ccccc1)C(=O)[O-] ZINC000095617416 562787981 /nfs/dbraw/zinc/78/79/81/562787981.db2.gz AHLQCKHABUZUAY-PMERELPUSA-N 0 2 540.624 4.033 1 0 KIAFLN Cc1noc(C)c1S(=O)(=O)N(C)C[C@@H]1OCCCC[C@@H](C)Oc2ccc(NS(=O)(=O)c3cccs3)cc2C(=O)N([C@@H](C)CO)C[C@@H]1C ZINC000095782533 562789084 /nfs/dbraw/zinc/78/90/84/562789084.db2.gz UBAKRCKURYVLMN-WENLUUPESA-N 0 2 712.913 4.270 1 0 KIAFLN CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc1)c(=O)n(CC(=O)C(C)(C)C)c2=O ZINC000096169973 562790956 /nfs/dbraw/zinc/79/09/56/562790956.db2.gz WIVXJSUDXDCGAM-UHFFFAOYSA-N 0 2 544.633 4.461 1 0 KIAFLN CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc1)c(=O)n(CC(=O)C(C)(C)COC(C)=O)c2=O ZINC000096169982 562791023 /nfs/dbraw/zinc/79/10/23/562791023.db2.gz CTWNZKNJTKJGMV-UHFFFAOYSA-N 0 2 602.669 4.004 1 0 KIAFLN CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc1)c(=O)n(C[C@H](O)C(C)(C)C)c2=O ZINC000096169983 562791019 /nfs/dbraw/zinc/79/10/19/562791019.db2.gz RZKLMAYXHYZWLN-QHCPKHFHSA-N 0 2 546.649 4.253 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC(=O)C(C)(C)C)c2ncnn21 ZINC000096178222 562792502 /nfs/dbraw/zinc/79/25/02/562792502.db2.gz AWKUGINBKMRYQF-UHFFFAOYSA-N 0 2 526.597 4.060 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(CC(C)(C)COC)c2nc(C)nn21 ZINC000096178231 562792538 /nfs/dbraw/zinc/79/25/38/562792538.db2.gz GBRMSRMKWLJSEI-UHFFFAOYSA-N 0 2 542.640 4.426 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n(C2CCOCC2)c2nc(C)nn21 ZINC000096178237 562792532 /nfs/dbraw/zinc/79/25/32/562792532.db2.gz DFOPKDDSWOPCRS-UHFFFAOYSA-N 0 2 544.587 4.244 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@@H]2CC[C@H](C)OC2)c2nc(C)nn21 ZINC000096178261 562792604 /nfs/dbraw/zinc/79/26/04/562792604.db2.gz KQNYGEKZVUPLSK-PGRDOPGGSA-N 0 2 540.624 4.493 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](C)OC2)c2nc(C)nn21 ZINC000096178262 562792558 /nfs/dbraw/zinc/79/25/58/562792558.db2.gz KQNYGEKZVUPLSK-AVRDEDQJSA-N 0 2 540.624 4.493 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@@H]2CC[C@@H](C)OC2)c2nc(C)nn21 ZINC000096178263 562792590 /nfs/dbraw/zinc/79/25/90/562792590.db2.gz KQNYGEKZVUPLSK-XMSQKQJNSA-N 0 2 540.624 4.493 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@H](C)OC2)c2nc(C)nn21 ZINC000096178264 562792606 /nfs/dbraw/zinc/79/26/06/562792606.db2.gz KQNYGEKZVUPLSK-GCJKJVERSA-N 0 2 540.624 4.493 1 0 KIAFLN CCCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(O)CC2)c2ncnn21 ZINC000096178265 562792564 /nfs/dbraw/zinc/79/25/64/562792564.db2.gz RSXLUUSFASNCPT-UHFFFAOYSA-N 0 2 540.624 4.311 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC(=CCO)CC2)c2ncnn21 ZINC000096178291 562792633 /nfs/dbraw/zinc/79/26/33/562792633.db2.gz LBEIHDOAHGDOFH-UHFFFAOYSA-N 0 2 552.635 4.478 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCOCC2)c2ccnn21 ZINC000096178313 562792644 /nfs/dbraw/zinc/79/26/44/562792644.db2.gz LVXGUVPHCJYILA-UHFFFAOYSA-N 0 2 511.582 4.401 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC3(CC2)O[C@@H]2COC[C@@H]2O3)c2ncnn21 ZINC000096178325 562792658 /nfs/dbraw/zinc/79/26/58/562792658.db2.gz LSABTUQHTUDSIM-GNPKDYDBSA-N 0 2 610.671 4.070 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC3(CC[C@@H](CO)O3)CC2)c2ncnn21 ZINC000096178373 562792648 /nfs/dbraw/zinc/79/26/48/562792648.db2.gz WPQDJWODGXBPSS-WKPOEOEHSA-N 0 2 596.688 4.470 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n(C2CCC3(CC[C@H](CO)O3)CC2)c2ncnn21 ZINC000096178374 562792650 /nfs/dbraw/zinc/79/26/50/562792650.db2.gz WPQDJWODGXBPSS-GWQSWQSUSA-N 0 2 596.688 4.470 1 0 KIAFLN CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[N@@H+](C)CCC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270843 562793420 /nfs/dbraw/zinc/79/34/20/562793420.db2.gz ZZBVYRDSJARZIV-KAYWLYCHSA-N 0 2 502.677 4.407 1 0 KIAFLN CCCC[C@]1(CC)CS(=O)(=O)c2cc(C[N@H+](C)CCC(=O)[O-])c(OC)cc2[C@@H](c2ccccc2)N1 ZINC000096270843 562793419 /nfs/dbraw/zinc/79/34/19/562793419.db2.gz ZZBVYRDSJARZIV-KAYWLYCHSA-N 0 2 502.677 4.407 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(c2cccc(F)c2)S(C)(=O)=O)c[nH+]1 ZINC000096273500 562794510 /nfs/dbraw/zinc/79/45/10/562794510.db2.gz BHTTYKCJLSWMIU-DEOSSOPVSA-N 0 2 614.700 4.262 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(c2ccc(F)cc2)S(C)(=O)=O)c[nH+]1 ZINC000096273506 562794512 /nfs/dbraw/zinc/79/45/12/562794512.db2.gz UUKFUQHXVFPZRA-DEOSSOPVSA-N 0 2 614.700 4.262 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CCc2ccccc2)S(C)(=O)=O)c[nH+]1 ZINC000096273519 562794542 /nfs/dbraw/zinc/79/45/42/562794542.db2.gz LPVTWENONSOHAO-SANMLTNESA-N 0 2 624.764 4.034 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CC)C(=O)c2nccs2)c[nH+]1 ZINC000096273520 562794570 /nfs/dbraw/zinc/79/45/70/562794570.db2.gz AZIOXOMBBGKKBJ-NRFANRHFSA-N 0 2 581.699 4.148 1 0 KIAFLN CCN(CC)C(=O)N(CC)c1c[nH+]c(N(CC)CC)nc1N[C@@H](Cc1ccc(OC(=O)N2CCCC2)cc1)C(=O)[O-] ZINC000096273523 562794561 /nfs/dbraw/zinc/79/45/61/562794561.db2.gz RROLERMMZPCBCQ-QHCPKHFHSA-N 0 2 569.707 4.313 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(CC)C(=O)c2ccccn2)c[nH+]1 ZINC000096273529 562794544 /nfs/dbraw/zinc/79/45/44/562794544.db2.gz AYPFNJVNXTYWGK-DEOSSOPVSA-N 0 2 575.670 4.087 1 0 KIAFLN O=c1nc(O)c2c([nH]1)-c1cc3c(cc1N[C@H]2c1ccccc1Cl)-c1[nH]c(=O)[nH]c(=O)c1[C@@H](c1ccccc1Cl)N3 ZINC000096906881 562798888 /nfs/dbraw/zinc/79/88/88/562798888.db2.gz YESMGSQCDIGYEL-SZPZYZBQSA-N 0 2 573.396 4.110 1 0 KIAFLN O=c1nc(O)c2c([nH]1)-c1cc3c(cc1N[C@@H]2c1ccccc1Cl)-c1[nH]c(=O)[nH]c(=O)c1[C@H](c1ccccc1Cl)N3 ZINC000096906881 562798887 /nfs/dbraw/zinc/79/88/87/562798887.db2.gz YESMGSQCDIGYEL-SZPZYZBQSA-N 0 2 573.396 4.110 1 0 KIAFLN O=c1nc(O)c2c([nH]1)-c1cc3c(cc1N[C@@H]2c1ccc(Cl)cc1)-c1[nH]c(=O)[nH]c(=O)c1[C@H](c1ccc(Cl)cc1)N3 ZINC000096906884 562798947 /nfs/dbraw/zinc/79/89/47/562798947.db2.gz BHEVBOVAKKAORB-SZPZYZBQSA-N 0 2 573.396 4.110 1 0 KIAFLN O=c1nc(O)c2c([nH]1)-c1cc3c(cc1N[C@H]2c1ccc(Cl)cc1)-c1[nH]c(=O)[nH]c(=O)c1[C@@H](c1ccc(Cl)cc1)N3 ZINC000096906884 562798946 /nfs/dbraw/zinc/79/89/46/562798946.db2.gz BHEVBOVAKKAORB-SZPZYZBQSA-N 0 2 573.396 4.110 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])c(N(CC)S(=O)(=O)c2ccc(Cl)cc2)c[nH+]1 ZINC000096907666 562799160 /nfs/dbraw/zinc/79/91/60/562799160.db2.gz JFQOQTMEJYIBCP-QHCPKHFHSA-N 0 2 619.144 4.360 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])c(N(C(C)C)S(=O)(=O)c2ccc(F)cc2)c[nH+]1 ZINC000096907668 562799151 /nfs/dbraw/zinc/79/91/51/562799151.db2.gz RAPVDKCWUQBKGG-DEOSSOPVSA-N 0 2 616.716 4.234 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N3CCCC3)cc2)C(=O)[O-])c(N(C)S(=O)(=O)c2ccc(C)cc2)c[nH+]1 ZINC000096907670 562799168 /nfs/dbraw/zinc/79/91/68/562799168.db2.gz PWSDHCOAVUPCNI-VWLOTQADSA-N 0 2 610.737 4.159 1 0 KIAFLN CCc1ccc(-n2c(=O)c3cn[nH]c3nc2SCc2cc(=O)n3cc(Br)ccc3n2)cc1 ZINC000100617824 562807165 /nfs/dbraw/zinc/80/71/65/562807165.db2.gz GOWSSJSSTNNLPD-UHFFFAOYSA-N 0 2 509.389 4.098 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2CC[C@@H](O)CC2)c2ncnn21 ZINC000100638594 562807200 /nfs/dbraw/zinc/80/72/00/562807200.db2.gz CVDPCPAIFZILGD-MXVIHJGJSA-N 0 2 544.587 4.060 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2CC[C@H](O)CC2)c2ncnn21 ZINC000100638596 562807230 /nfs/dbraw/zinc/80/72/30/562807230.db2.gz CVDPCPAIFZILGD-BGYRXZFFSA-N 0 2 544.587 4.060 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2C[C@H](OCC(C)(C)O)C2)c2nc(C)nn21 ZINC000100638758 562807214 /nfs/dbraw/zinc/80/72/14/562807214.db2.gz UIWKHGFKAAPCAV-SZPZYZBQSA-N 0 2 602.667 4.383 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2C[C@@H](OCC(C)(C)O)C2)c2nc(C)nn21 ZINC000100638760 562807219 /nfs/dbraw/zinc/80/72/19/562807219.db2.gz UIWKHGFKAAPCAV-HZCBDIJESA-N 0 2 602.667 4.383 1 0 KIAFLN O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1ccc(Br)cc1 ZINC000101035990 562808866 /nfs/dbraw/zinc/80/88/66/562808866.db2.gz BOASSNHPGATZRF-UHFFFAOYSA-N 0 2 510.369 4.079 1 0 KIAFLN O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2ccccc2n1Cc1cccc(Br)c1 ZINC000101037168 562808858 /nfs/dbraw/zinc/80/88/58/562808858.db2.gz XNYJQHGABNFQKM-UHFFFAOYSA-N 0 2 510.369 4.079 1 0 KIAFLN CC(C)CCn1c2ccc(NC(=O)CC(C)C)cc2c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000101077507 562809026 /nfs/dbraw/zinc/80/90/26/562809026.db2.gz PDHNNOYKJIZSKB-UHFFFAOYSA-N 0 2 510.616 4.299 1 0 KIAFLN CC(C)CCn1c2ccc(NC(=O)C3CCCC3)cc2c(O)c(C2=NS(=O)(=O)c3ccccc3N2)c1=O ZINC000101077696 562809012 /nfs/dbraw/zinc/80/90/12/562809012.db2.gz FZLSNFBOJSJTEK-UHFFFAOYSA-N 0 2 522.627 4.443 1 0 KIAFLN O=c1c(O)c(Nc2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCCCC4)c3)c(Cl)c2)c1=O ZINC000101633016 562811422 /nfs/dbraw/zinc/81/14/22/562811422.db2.gz WVUHRENLQAESGE-UHFFFAOYSA-N 0 2 527.382 4.148 1 0 KIAFLN CC(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3cc(F)ccc3n(Cc3ccc(F)cc3)c1=O)N2 ZINC000101655833 562811575 /nfs/dbraw/zinc/81/15/75/562811575.db2.gz ATGJOTLJQUYKHN-UHFFFAOYSA-N 0 2 523.517 4.190 1 0 KIAFLN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3cc(Cl)ccc3n(Cc3ccc(F)cc3)c1=O)N2 ZINC000101665711 562811640 /nfs/dbraw/zinc/81/16/40/562811640.db2.gz MFPFIZXGAAKLMZ-UHFFFAOYSA-N 0 2 576.027 4.117 1 0 KIAFLN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3cc(F)ccc3n(Cc3ccc(F)c(Cl)c3)c1=O)N2 ZINC000101674660 562811687 /nfs/dbraw/zinc/81/16/87/562811687.db2.gz PSIJAKJJGXVFED-UHFFFAOYSA-N 0 2 594.017 4.256 1 0 KIAFLN O=C(OCCc1cccc(F)c1)[C@H]1CC[C@@H](n2c(=O)cc(O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678129 562811700 /nfs/dbraw/zinc/81/17/00/562811700.db2.gz MXDYXHKBYFGBDF-SIKLNZKXSA-N 0 2 500.954 4.157 1 0 KIAFLN O=C(OCCc1cccc(F)c1)[C@H]1CC[C@@H](n2c(O)cc(=O)n(CCc3cccc(Cl)c3)c2=O)C1 ZINC000101678129 562811699 /nfs/dbraw/zinc/81/16/99/562811699.db2.gz MXDYXHKBYFGBDF-SIKLNZKXSA-N 0 2 500.954 4.157 1 0 KIAFLN CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)C=C(c1c(O)c3ccc(Cl)cc3n(Cc3ccc(F)cc3)c1=O)N2 ZINC000101712895 562812029 /nfs/dbraw/zinc/81/20/29/562812029.db2.gz COYSYTGUGMAWQY-UHFFFAOYSA-N 0 2 576.027 4.117 1 0 KIAFLN O=c1cc(CSc2nc3[nH]ncc3c(=O)n2-c2ccc(Br)cc2)nc2ccc(Br)cn12 ZINC000101954417 562812382 /nfs/dbraw/zinc/81/23/82/562812382.db2.gz JCQDVSOQERWERR-UHFFFAOYSA-N 0 2 560.231 4.298 1 0 KIAFLN Cc1cc(NS(=O)(=O)c2ccc(-n3c(N)c4c(C)c5c(nc4nc3=S)CC(C)(C)CC5=O)cc2)no1 ZINC000102175884 562812839 /nfs/dbraw/zinc/81/28/39/562812839.db2.gz KATYMKPSMDNINM-UHFFFAOYSA-N 0 2 524.628 4.123 1 0 KIAFLN CCN(CC)c1nc(N[C@@H](Cc2ccc(OC(=O)N(C)C)cc2)C(=O)[O-])c(N(C(C)C)S(=O)(=O)c2ccc(F)c(F)c2)c[nH+]1 ZINC000103131904 562814408 /nfs/dbraw/zinc/81/44/08/562814408.db2.gz XGZSKLPECGWKPZ-DEOSSOPVSA-N 0 2 634.706 4.373 1 0 KIAFLN O=C1CCC(c2ccc(Cl)cc2)=NN1c1ccc(S(=O)(=O)NC(=S)NCc2ccccc2)cc1 ZINC000103176189 562815079 /nfs/dbraw/zinc/81/50/79/562815079.db2.gz NTVXMYMKPXWOPU-UHFFFAOYSA-N 0 2 513.044 4.224 1 0 KIAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCC(=O)c5ccccc5)s4)CC3)cc21 ZINC000103177325 562815129 /nfs/dbraw/zinc/81/51/29/562815129.db2.gz DZSUTWCURJDTQC-UHFFFAOYSA-N 0 2 553.641 4.012 1 0 KIAFLN O=C(O)c1cn(C2CC2)c2cc(N3CCN(c4nnc(SCC(=O)c5ccccc5)s4)CC3)c(F)cc2c1=O ZINC000103177330 562815099 /nfs/dbraw/zinc/81/50/99/562815099.db2.gz YRBGGCGEDWMEIO-UHFFFAOYSA-N 0 2 565.652 4.327 1 0 KIAFLN COc1ccc(C(=O)CSc2nnc(N3CCN(c4cc5c(cc4F)c(=O)c(C(=O)O)cn5C4CC4)CC3)s2)cc1 ZINC000103178551 562815187 /nfs/dbraw/zinc/81/51/87/562815187.db2.gz QIOYIXYGWFSTRF-UHFFFAOYSA-N 0 2 595.678 4.335 1 0 KIAFLN O=C(O)c1cn(C2CC2)c2cc(N3CCN(c4nnc(SCC(=O)c5ccc(F)cc5)s4)CC3)c(F)cc2c1=O ZINC000103178555 562815182 /nfs/dbraw/zinc/81/51/82/562815182.db2.gz ADKZXLADKRZOBP-UHFFFAOYSA-N 0 2 583.642 4.466 1 0 KIAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCC(=O)c5ccc(C)cc5)s4)CC3)cc21 ZINC000103184566 562815338 /nfs/dbraw/zinc/81/53/38/562815338.db2.gz NBCZVGTWRRQYNH-UHFFFAOYSA-N 0 2 567.668 4.320 1 0 KIAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCC(=O)c5ccc(OC)cc5)s4)CC3)cc21 ZINC000103184567 562815345 /nfs/dbraw/zinc/81/53/45/562815345.db2.gz PWWWZQWBMKDTNR-UHFFFAOYSA-N 0 2 583.667 4.020 1 0 KIAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(c4nnc(SCC(=O)c5ccc(F)cc5)s4)CC3)cc21 ZINC000103184570 562815341 /nfs/dbraw/zinc/81/53/41/562815341.db2.gz KAJBRXHKGJKSLG-UHFFFAOYSA-N 0 2 571.631 4.151 1 0 KIAFLN CCc1ccc(C2=NN(c3ccc(S(=O)(=O)NC(=S)NCc4ccccc4)cc3)C(=O)CC2)cc1 ZINC000103208520 562816546 /nfs/dbraw/zinc/81/65/46/562816546.db2.gz IQYNOBLABPVEJY-UHFFFAOYSA-N 0 2 506.653 4.133 1 0 KIAFLN COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C3CCCC3)c2=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000103259776 562821112 /nfs/dbraw/zinc/82/11/12/562821112.db2.gz XZLSHYMQQIIDHH-UHFFFAOYSA-N 0 2 523.590 4.413 1 0 KIAFLN COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C3CCCC3)c2=O)cc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000103259779 562821106 /nfs/dbraw/zinc/82/11/06/562821106.db2.gz YMFBODFBSYLRKH-UHFFFAOYSA-N 0 2 523.590 4.413 1 0 KIAFLN COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C3CCCC3)c2=O)cc1[N-]S(=O)(=O)c1ccccc1F ZINC000103259781 562821098 /nfs/dbraw/zinc/82/10/98/562821098.db2.gz PUEXEBORYHJIFH-UHFFFAOYSA-N 0 2 523.590 4.413 1 0 KIAFLN COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C(C)C)c2=O)cc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000103259793 562821141 /nfs/dbraw/zinc/82/11/41/562821141.db2.gz KYQBQPVZVMRBAI-UHFFFAOYSA-N 0 2 515.542 4.018 1 0 KIAFLN COc1ncc(-c2cc3c(C)[nH+]c(N)cc3n(C3CCCC3)c2=O)cc1[N-]S(=O)(=O)c1ccccc1 ZINC000103260647 562821227 /nfs/dbraw/zinc/82/12/27/562821227.db2.gz ONHURNHJXZEWNT-UHFFFAOYSA-N 0 2 505.600 4.274 1 0 KIAFLN COc1ccc(S(=O)(=O)[N-]c2cc(-c3cc4c(C)[nH+]c(N)cc4n(C4CCCC4)c3=O)cnc2OC)cc1 ZINC000103260649 562821202 /nfs/dbraw/zinc/82/12/02/562821202.db2.gz HZAXKWMLRSDSIT-UHFFFAOYSA-N 0 2 535.626 4.282 1 0 KIAFLN COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccccc1C ZINC000103264441 562821941 /nfs/dbraw/zinc/82/19/41/562821941.db2.gz FEXTUSFUMVYBFH-UHFFFAOYSA-N 0 2 513.579 4.148 1 0 KIAFLN COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1cccc(C)c1 ZINC000103264444 562821918 /nfs/dbraw/zinc/82/19/18/562821918.db2.gz JLAZWUFUZDVBSK-UHFFFAOYSA-N 0 2 513.579 4.148 1 0 KIAFLN COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(C)cc1 ZINC000103264446 562821948 /nfs/dbraw/zinc/82/19/48/562821948.db2.gz KPSCRRYRKLTTAD-UHFFFAOYSA-N 0 2 513.579 4.148 1 0 KIAFLN COc1ncc(-c2ccc3nc(N)n(-c4ccccc4)c(=O)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F ZINC000103264481 562821968 /nfs/dbraw/zinc/82/19/68/562821968.db2.gz XHJVXWBRJUGTON-UHFFFAOYSA-N 0 2 535.532 4.118 1 0 KIAFLN COC(=O)c1cc(C[C@H]2SC(=O)NC2=O)ccc1OCCN(C)C(=O)CCCCC1CCCCC1 ZINC000103280682 562823494 /nfs/dbraw/zinc/82/34/94/562823494.db2.gz VUAKRNYHDHDPFP-JOCHJYFZSA-N 0 2 504.649 4.345 1 0 KIAFLN COC(=O)c1cc(C[C@@H]2SC(=O)NC2=O)ccc1OCCN(C)C(=O)CCCCC1CCCCC1 ZINC000103280685 562823480 /nfs/dbraw/zinc/82/34/80/562823480.db2.gz VUAKRNYHDHDPFP-QFIPXVFZSA-N 0 2 504.649 4.345 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@H](OCCO)CC2)c2nc(C)nn21 ZINC000115992981 562829147 /nfs/dbraw/zinc/82/91/47/562829147.db2.gz UAHQXSBXYJJHDB-PSWAGMNNSA-N 0 2 584.677 4.246 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@](C)(O)CC2)c2ncnn21 ZINC000115993752 562829172 /nfs/dbraw/zinc/82/91/72/562829172.db2.gz JHUMEAYIXBNVAF-IXKSNFPSSA-N 0 2 540.624 4.311 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2F)c(=O)n([C@H]2C[C@@H](OCC(C)(C)O)C2)c2ncnn21 ZINC000115995007 562829145 /nfs/dbraw/zinc/82/91/45/562829145.db2.gz SPECVANBQHRAHT-MEMLXQNLSA-N 0 2 588.640 4.075 1 0 KIAFLN CCCc1c(Cc2ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc2)c(=O)n([C@H]2CC[C@@](C)(OCCO)CC2)c2ncnn21 ZINC000115999908 562829152 /nfs/dbraw/zinc/82/91/52/562829152.db2.gz NTRGXZDLTZWXKK-FVQXVRMNSA-N 0 2 584.677 4.327 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(O)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144069106 562835744 /nfs/dbraw/zinc/83/57/44/562835744.db2.gz MQNIGEMDXMORCZ-DEOSSOPVSA-N 0 2 534.619 4.333 1 0 KIAFLN Cc1nnc(CNC(=O)[C@@H](c2nc3ccc(-c4ccc(O)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144069106 562835743 /nfs/dbraw/zinc/83/57/43/562835743.db2.gz MQNIGEMDXMORCZ-DEOSSOPVSA-N 0 2 534.619 4.333 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(O)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144069304 562835725 /nfs/dbraw/zinc/83/57/25/562835725.db2.gz MQNIGEMDXMORCZ-XMMPIXPASA-N 0 2 534.619 4.333 1 0 KIAFLN Cc1nnc(CNC(=O)[C@H](c2nc3ccc(-c4ccc(O)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000144069304 562835724 /nfs/dbraw/zinc/83/57/24/562835724.db2.gz MQNIGEMDXMORCZ-XMMPIXPASA-N 0 2 534.619 4.333 1 0 KIAFLN CS(=O)(=O)C(C(=O)NCc1ccccc1S(N)(=O)=O)c1nc2ccc(-c3ccc(N4CCCCC4)cc3)cc2s1 ZINC000144096424 562835791 /nfs/dbraw/zinc/83/57/91/562835791.db2.gz KXEFDXSMTJNQOM-SANMLTNESA-N 0 2 598.772 4.003 1 0 KIAFLN CS(=O)(=O)[C@@H](C(=O)NCc1ccccc1S(N)(=O)=O)c1nc2ccc(-c3ccc(N4CCCCC4)cc3)cc2s1 ZINC000144096424 562835790 /nfs/dbraw/zinc/83/57/90/562835790.db2.gz KXEFDXSMTJNQOM-SANMLTNESA-N 0 2 598.772 4.003 1 0 KIAFLN CS(=O)(=O)C(C(=O)NCc1ccccc1S(N)(=O)=O)c1nc2ccc(-c3ccc(N4CCCCC4)cc3)cc2s1 ZINC000144096579 562835772 /nfs/dbraw/zinc/83/57/72/562835772.db2.gz KXEFDXSMTJNQOM-AREMUKBSSA-N 0 2 598.772 4.003 1 0 KIAFLN CS(=O)(=O)[C@H](C(=O)NCc1ccccc1S(N)(=O)=O)c1nc2ccc(-c3ccc(N4CCCCC4)cc3)cc2s1 ZINC000144096579 562835771 /nfs/dbraw/zinc/83/57/71/562835771.db2.gz KXEFDXSMTJNQOM-AREMUKBSSA-N 0 2 598.772 4.003 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)CC(C)C)o1 ZINC000144108356 562835783 /nfs/dbraw/zinc/83/57/83/562835783.db2.gz UWYDNDUBNBXVMT-NRFANRHFSA-N 0 2 502.593 4.222 1 0 KIAFLN Cc1nnc(CNC(=O)[C@@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)CC(C)C)o1 ZINC000144108356 562835782 /nfs/dbraw/zinc/83/57/82/562835782.db2.gz UWYDNDUBNBXVMT-NRFANRHFSA-N 0 2 502.593 4.222 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)CC(C)C)o1 ZINC000144108570 562835754 /nfs/dbraw/zinc/83/57/54/562835754.db2.gz UWYDNDUBNBXVMT-OAQYLSRUSA-N 0 2 502.593 4.222 1 0 KIAFLN Cc1nnc(CNC(=O)[C@H](c2nc3cc(F)c(-c4ccccc4)cc3s2)S(=O)(=O)CC(C)C)o1 ZINC000144108570 562835753 /nfs/dbraw/zinc/83/57/53/562835753.db2.gz UWYDNDUBNBXVMT-OAQYLSRUSA-N 0 2 502.593 4.222 1 0 KIAFLN COCCS(=O)(=O)C(C(=O)NCc1cc(C(C)C)no1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000144323025 562836076 /nfs/dbraw/zinc/83/60/76/562836076.db2.gz CFCIABYWOHTXJM-QHCPKHFHSA-N 0 2 513.641 4.493 1 0 KIAFLN COCCS(=O)(=O)[C@@H](C(=O)NCc1cc(C(C)C)no1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000144323025 562836075 /nfs/dbraw/zinc/83/60/75/562836075.db2.gz CFCIABYWOHTXJM-QHCPKHFHSA-N 0 2 513.641 4.493 1 0 KIAFLN COCCS(=O)(=O)C(C(=O)NCc1cc(C(C)C)no1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000144323224 562836083 /nfs/dbraw/zinc/83/60/83/562836083.db2.gz CFCIABYWOHTXJM-HSZRJFAPSA-N 0 2 513.641 4.493 1 0 KIAFLN COCCS(=O)(=O)[C@H](C(=O)NCc1cc(C(C)C)no1)c1nc2ccc(-c3ccccc3)cc2s1 ZINC000144323224 562836082 /nfs/dbraw/zinc/83/60/82/562836082.db2.gz CFCIABYWOHTXJM-HSZRJFAPSA-N 0 2 513.641 4.493 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3s2)S(C)(=O)=O)s1 ZINC000144325932 562836117 /nfs/dbraw/zinc/83/61/17/562836117.db2.gz SYAPLKNCGPHOGB-NRFANRHFSA-N 0 2 558.707 4.481 1 0 KIAFLN Cc1nnc(CNC(=O)[C@@H](c2nc3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3s2)S(C)(=O)=O)s1 ZINC000144325932 562836116 /nfs/dbraw/zinc/83/61/16/562836116.db2.gz SYAPLKNCGPHOGB-NRFANRHFSA-N 0 2 558.707 4.481 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3s2)S(C)(=O)=O)s1 ZINC000144326135 562836153 /nfs/dbraw/zinc/83/61/53/562836153.db2.gz SYAPLKNCGPHOGB-OAQYLSRUSA-N 0 2 558.707 4.481 1 0 KIAFLN Cc1nnc(CNC(=O)[C@H](c2nc3ccc(-c4ccc(C(=O)OC(C)(C)C)cc4)cc3s2)S(C)(=O)=O)s1 ZINC000144326135 562836152 /nfs/dbraw/zinc/83/61/52/562836152.db2.gz SYAPLKNCGPHOGB-OAQYLSRUSA-N 0 2 558.707 4.481 1 0 KIAFLN CC1(O)CN(C(=O)c2ccc(-c3ccc4nc(C(C(N)=O)S(=O)(=O)Cc5ccc(OC(F)(F)F)cc5)sc4c3)cc2)C1 ZINC000145527528 562837317 /nfs/dbraw/zinc/83/73/17/562837317.db2.gz JCHDWDURQBSZMV-HSZRJFAPSA-N 0 2 619.643 4.210 1 0 KIAFLN CC1(O)CN(C(=O)c2ccc(-c3ccc4nc([C@@H](C(N)=O)S(=O)(=O)Cc5ccc(OC(F)(F)F)cc5)sc4c3)cc2)C1 ZINC000145527528 562837316 /nfs/dbraw/zinc/83/73/16/562837316.db2.gz JCHDWDURQBSZMV-HSZRJFAPSA-N 0 2 619.643 4.210 1 0 KIAFLN CC1(O)CN(C(=O)c2ccc(-c3ccc4nc(C(C(N)=O)S(=O)(=O)Cc5ccc(OC(F)(F)F)cc5)sc4c3)cc2)C1 ZINC000145527722 562837319 /nfs/dbraw/zinc/83/73/19/562837319.db2.gz JCHDWDURQBSZMV-QHCPKHFHSA-N 0 2 619.643 4.210 1 0 KIAFLN CC1(O)CN(C(=O)c2ccc(-c3ccc4nc([C@H](C(N)=O)S(=O)(=O)Cc5ccc(OC(F)(F)F)cc5)sc4c3)cc2)C1 ZINC000145527722 562837318 /nfs/dbraw/zinc/83/73/18/562837318.db2.gz JCHDWDURQBSZMV-QHCPKHFHSA-N 0 2 619.643 4.210 1 0 KIAFLN COc1ccc(-c2cc3sc(C(C(=O)NCc4nnc(C)o4)S(=O)(=O)Cc4ccccc4)nc3cc2C)cn1 ZINC000146072192 562838128 /nfs/dbraw/zinc/83/81/28/562838128.db2.gz WBEDVESGJXHVJX-RUZDIDTESA-N 0 2 563.661 4.339 1 0 KIAFLN COc1ccc(-c2cc3sc([C@@H](C(=O)NCc4nnc(C)o4)S(=O)(=O)Cc4ccccc4)nc3cc2C)cn1 ZINC000146072192 562838127 /nfs/dbraw/zinc/83/81/27/562838127.db2.gz WBEDVESGJXHVJX-RUZDIDTESA-N 0 2 563.661 4.339 1 0 KIAFLN COc1ccc(-c2cc3sc(C(C(=O)NCc4nnc(C)o4)S(=O)(=O)Cc4ccccc4)nc3cc2C)cn1 ZINC000146072382 562838163 /nfs/dbraw/zinc/83/81/63/562838163.db2.gz WBEDVESGJXHVJX-VWLOTQADSA-N 0 2 563.661 4.339 1 0 KIAFLN COc1ccc(-c2cc3sc([C@H](C(=O)NCc4nnc(C)o4)S(=O)(=O)Cc4ccccc4)nc3cc2C)cn1 ZINC000146072382 562838162 /nfs/dbraw/zinc/83/81/62/562838162.db2.gz WBEDVESGJXHVJX-VWLOTQADSA-N 0 2 563.661 4.339 1 0 KIAFLN O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2cn[nH]c2)C1 ZINC000147403516 562839357 /nfs/dbraw/zinc/83/93/57/562839357.db2.gz XYJZIJLBVINFCQ-UHFFFAOYSA-N 0 2 506.535 4.329 1 0 KIAFLN O=S(=O)(Nc1ncns1)N1CCc2c(cccc2-c2ccc(C(F)(F)F)cc2-c2cncnc2)C1 ZINC000147418160 562839348 /nfs/dbraw/zinc/83/93/48/562839348.db2.gz CSWYUBWEAKUYRC-UHFFFAOYSA-N 0 2 518.546 4.396 1 0 KIAFLN O=CNS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(Cl)ccc1Cl ZINC000149312988 562842619 /nfs/dbraw/zinc/84/26/19/562842619.db2.gz CQNHXQBRYSMGBC-UHFFFAOYSA-N 0 2 591.452 4.373 1 0 KIAFLN CCNC(=O)NS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1ccccc1Cl ZINC000149313188 562842588 /nfs/dbraw/zinc/84/25/88/562842588.db2.gz MJUOGVCTKIUHSV-UHFFFAOYSA-N 0 2 600.076 4.293 1 0 KIAFLN CCNC(=O)NS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(F)ccc1Cl ZINC000149334769 562842626 /nfs/dbraw/zinc/84/26/26/562842626.db2.gz PNLQWQHJYHATSX-UHFFFAOYSA-N 0 2 618.066 4.432 1 0 KIAFLN CCNC(=O)NS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccccc3)CC1)c2Nc1ccccc1Cl ZINC000149346631 562842651 /nfs/dbraw/zinc/84/26/51/562842651.db2.gz NWKNUOMUNGHYGU-UHFFFAOYSA-N 0 2 582.086 4.154 1 0 KIAFLN CCNC(=O)NS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC(c3ccc(F)cc3)CC1)c2Nc1cc(Cl)ccc1F ZINC000149349942 562842658 /nfs/dbraw/zinc/84/26/58/562842658.db2.gz LDZGYCKYPVBQQZ-UHFFFAOYSA-N 0 2 618.066 4.432 1 0 KIAFLN Cc1ccc(F)c(Nc2c(C(=O)N3CCC(c4ccc(F)cc4)CC3)cnc3c(S(=O)(=O)NC(=O)NC4CC4)cnn32)c1 ZINC000149360101 562842648 /nfs/dbraw/zinc/84/26/48/562842648.db2.gz LYYATWSOAYDERR-UHFFFAOYSA-N 0 2 609.659 4.230 1 0 KIAFLN CCCC[C@H]([NH2+]/C=C/[C@H](Cc1ccc2ccccc2c1)NC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(=O)[O-])C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000150528743 562843781 /nfs/dbraw/zinc/84/37/81/562843781.db2.gz TWCVWCJARGWXML-QLEUBDALSA-N 0 2 687.838 4.110 1 0 KIAFLN Cc1ccc(C2=NO[C@H]3C(=O)N(c4ccc(Cc5ccc(N6C(=O)[C@H]7ON=C(c8ccc(C)cc8)C7=C6O)cc5)cc4)C(O)=C23)cc1 ZINC000150597188 562846780 /nfs/dbraw/zinc/84/67/80/562846780.db2.gz MVHZOPBZCOWWBN-CUEKVZMMSA-N 0 2 624.653 4.479 1 0 KIAFLN CCc1cc2c(s1)n(Cc1ccc(-c3ccccc3-c3nc(=O)o[nH]3)cc1)c(=O)n(C[C@@H](O)C(C)(C)C)c2=O ZINC000167224787 562850737 /nfs/dbraw/zinc/85/07/37/562850737.db2.gz RZKLMAYXHYZWLN-HSZRJFAPSA-N 0 2 546.649 4.253 1 0 KIAFLN O=C(Nc1nc(-c2ccccc2)cs1)c1ccncc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000169305245 562853414 /nfs/dbraw/zinc/85/34/14/562853414.db2.gz ZLPYLBVRYJVXDQ-UHFFFAOYSA-N 0 2 519.608 4.385 1 0 KIAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)[C@H](Cc4ccccc4)NC(=O)OCc4ccccc4)CC3)cc21 ZINC000169309692 562854446 /nfs/dbraw/zinc/85/44/46/562854446.db2.gz WECMBBOVPHXNFB-MHZLTWQESA-N 0 2 600.647 4.045 1 0 KIAFLN O=C(NCc1ccc(F)cc1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1=O ZINC000169312828 562855451 /nfs/dbraw/zinc/85/54/51/562855451.db2.gz YYJIVBXIMSHMSB-UHFFFAOYSA-N 0 2 519.476 4.417 1 0 KIAFLN O=C(NCc1cccc(F)c1)c1c[nH]c2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cc3)cc2c1=O ZINC000169312829 562855470 /nfs/dbraw/zinc/85/54/70/562855470.db2.gz FOTGDULRKKVQKR-UHFFFAOYSA-N 0 2 519.476 4.417 1 0 KIAFLN COc1ccc(CNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3c2=O)cc1 ZINC000169312830 562855466 /nfs/dbraw/zinc/85/54/66/562855466.db2.gz CLNOVHQDJOWHGX-UHFFFAOYSA-N 0 2 531.512 4.286 1 0 KIAFLN COc1cccc(CNC(=O)c2c[nH]c3ccc(S(=O)(=O)Nc4ccc(C(F)(F)F)cc4)cc3c2=O)c1 ZINC000169312832 562855443 /nfs/dbraw/zinc/85/54/43/562855443.db2.gz LSHPEIAQUYWIQC-UHFFFAOYSA-N 0 2 531.512 4.286 1 0 KIAFLN O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](CCOC4=C(c5ccc(Br)cc5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169325661 562857639 /nfs/dbraw/zinc/85/76/39/562857639.db2.gz WNUHGBJPNZYJPD-UHFFFAOYSA-N 0 2 612.452 4.043 1 0 KIAFLN Cc1ccc(C2=C(OCC[NH+]3CCN(c4cc5c(cc4F)c(=O)c(C(=O)[O-])cn5-c4ccc(F)cc4)CC3)COC2=O)cc1 ZINC000169325662 562857664 /nfs/dbraw/zinc/85/76/64/562857664.db2.gz WHVQQPMWKHYNKF-UHFFFAOYSA-N 0 2 601.606 4.382 1 0 KIAFLN O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CC[NH+](CCOC4=C(c5ccccc5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169331357 562858962 /nfs/dbraw/zinc/85/89/62/562858962.db2.gz RQRWAGPTNIUICA-UHFFFAOYSA-N 0 2 587.579 4.074 1 0 KIAFLN O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CC[NH+](CCOC4=C(c5ccccc5F)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169331361 562858978 /nfs/dbraw/zinc/85/89/78/562858978.db2.gz IKHSZJTZHNBWMN-UHFFFAOYSA-N 0 2 605.569 4.213 1 0 KIAFLN O=C([O-])c1cn(-c2ccc(F)cc2)c2cc(N3CC[NH+](CCOC4=C(c5ccc(F)cc5)C(=O)OC4)CC3)c(F)cc2c1=O ZINC000169331633 562859019 /nfs/dbraw/zinc/85/90/19/562859019.db2.gz KXYQFQBDQTTWLE-UHFFFAOYSA-N 0 2 605.569 4.213 1 0 KIAFLN O=C([O-])c1cn(C2CC2)c2cc(N3CC[NH+](CCOc4cc(O)c5c(c4)O[C@H](c4ccc(O)cc4)CC5=O)CC3)ccc2c1=O ZINC000169337456 562860039 /nfs/dbraw/zinc/86/00/39/562860039.db2.gz WDJJOKRLKOSPFD-PMERELPUSA-N 0 2 611.651 4.353 1 0 KIAFLN O=C(NC[C@@H](O)c1cc(Br)c(O)c(Br)c1)c1[nH]cc(Br)c1Br ZINC000169352324 562863074 /nfs/dbraw/zinc/86/30/74/562863074.db2.gz PMOSWHTYVZFKKA-SECBINFHSA-N 0 2 561.850 4.234 1 0 KIAFLN O=C(NC[C@@H](O)c1cc(Br)c(O)c(Br)c1)c1cc(Br)c(Br)[nH]1 ZINC000169352325 562863091 /nfs/dbraw/zinc/86/30/91/562863091.db2.gz WDBXJXWQJSNSKY-SNVBAGLBSA-N 0 2 561.850 4.234 1 0 KIAFLN CN1C[C@@H]([C@@H](CC(=O)[O-])CC2CCN(C(=O)CCc3ccc4c([nH+]3)NCCC4)CC2)Cc2ccccc21 ZINC000169359481 562864079 /nfs/dbraw/zinc/86/40/79/562864079.db2.gz JJAXPFWZGVIPSO-RPBOFIJWSA-N 0 2 504.675 4.401 1 0 KIAFLN O=C(N[C@@H](Cc1ccccc1)[C@@H](O)CN1C/C=C/CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169369500 581099766 /nfs/dbraw/zinc/09/97/66/581099766.db2.gz FSOOXQRRZAINCT-SUJUGNFFSA-N 0 2 530.662 4.185 1 0 KIAFLN O=C(N[C@H](Cc1ccccc1)[C@@H](O)CN1C/C=C/CCCCCCCCOC1=O)O[C@H]1CO[C@H]2OCC[C@@H]12 ZINC000169369501 581099746 /nfs/dbraw/zinc/09/97/46/581099746.db2.gz FSOOXQRRZAINCT-XIWWIHDTSA-N 0 2 530.662 4.185 1 0 KIAFLN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCc1nn[nH]n1 ZINC000169695419 562865843 /nfs/dbraw/zinc/86/58/43/562865843.db2.gz HMOKYPSJOISPSI-DHIUTWEWSA-N 0 2 501.568 4.006 1 0 KIAFLN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCc1nn[nH]n1 ZINC000169695420 562865802 /nfs/dbraw/zinc/86/58/02/562865802.db2.gz HMOKYPSJOISPSI-XZOQPEGZSA-N 0 2 501.568 4.006 1 0 KIAFLN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCc1nn[nH]n1 ZINC000169695421 562865847 /nfs/dbraw/zinc/86/58/47/562865847.db2.gz HMOKYPSJOISPSI-PKTZIBPZSA-N 0 2 501.568 4.006 1 0 KIAFLN CC(C)C(=O)C1=C(O)C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCc1nn[nH]n1 ZINC000169695422 562865839 /nfs/dbraw/zinc/86/58/39/562865839.db2.gz HMOKYPSJOISPSI-GOTSBHOMSA-N 0 2 501.568 4.006 1 0 KIAFLN O=C(Cc1cccc(CNC(=O)C(F)(F)F)c1)Nc1nnc(CCCCc2ccc(NC(=O)Cc3ccccc3)nn2)s1 ZINC000169698368 562867195 /nfs/dbraw/zinc/86/71/95/562867195.db2.gz UYLOTMLFPXCLCF-UHFFFAOYSA-N 0 2 611.650 4.434 1 0 KIAFLN CCOc1ccccc1S(=O)(=O)Nc1ccccc1C(=O)Nc1cccc(S(=O)(=O)C(F)(F)F)c1 ZINC000199852725 562873166 /nfs/dbraw/zinc/87/31/66/562873166.db2.gz GXVNJYCNFDGQPG-UHFFFAOYSA-N 0 2 528.530 4.432 1 0 KIAFLN Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@H](NC(=O)C(F)(F)F)CC3)c1 ZINC000202735216 562873940 /nfs/dbraw/zinc/87/39/40/562873940.db2.gz UTGDZOCZGBSKMT-SIKLNZKXSA-N 0 2 605.466 4.404 1 0 KIAFLN Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@H](NC(=O)C(F)(F)F)CC3)c1 ZINC000202735236 562873913 /nfs/dbraw/zinc/87/39/13/562873913.db2.gz UTGDZOCZGBSKMT-DENIHFKCSA-N 0 2 605.466 4.404 1 0 KIAFLN Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@H](Cc2ccc(Cl)c(Cl)c2)[C@@H](NC(=O)C(F)(F)F)CC3)c1 ZINC000202735251 562873901 /nfs/dbraw/zinc/87/39/01/562873901.db2.gz UTGDZOCZGBSKMT-UGKGYDQZSA-N 0 2 605.466 4.404 1 0 KIAFLN Cn1cnc(S(=O)(=O)NCCOc2ccc3c(c2)[C@@H](Cc2ccc(Cl)c(Cl)c2)[C@@H](NC(=O)C(F)(F)F)CC3)c1 ZINC000202735268 562873919 /nfs/dbraw/zinc/87/39/19/562873919.db2.gz UTGDZOCZGBSKMT-KNQAVFIVSA-N 0 2 605.466 4.404 1 0 KIAFLN CC(=O)n1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)Nc3ncns3)nc21 ZINC000205423042 562875296 /nfs/dbraw/zinc/87/52/96/562875296.db2.gz IOERYDPCQVIDAO-UHFFFAOYSA-N 0 2 547.544 4.435 1 0 KIAFLN Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1c[nH]c2nc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000205423578 562875300 /nfs/dbraw/zinc/87/53/00/562875300.db2.gz GEYNDDQMIPWMAY-UHFFFAOYSA-N 0 2 505.507 4.302 1 0 KIAFLN Cn1cc(-c2ccc(C(F)(F)F)cc2-c2ccnn2C)c2ccc(S(=O)(=O)Nc3ncns3)nc21 ZINC000205424108 562875360 /nfs/dbraw/zinc/87/53/60/562875360.db2.gz UJZLVHLXANKMAQ-UHFFFAOYSA-N 0 2 519.534 4.312 1 0 KIAFLN Cn1nccc1-c1cc(C(F)(F)F)ccc1-n1cnc2cc(S(=O)(=O)Nc3ncns3)ccc21 ZINC000205432675 562875339 /nfs/dbraw/zinc/87/53/39/562875339.db2.gz JZIXDTYGZSIRNZ-UHFFFAOYSA-N 0 2 505.507 4.097 1 0 KIAFLN Cn1nccc1-c1cc(C(F)(F)F)ccc1-c1cn(S(C)(=O)=O)c2cc(S(=O)(=O)Nc3ncns3)ccc12 ZINC000205432729 562875352 /nfs/dbraw/zinc/87/53/52/562875352.db2.gz XRXYWZPVAZVGDB-UHFFFAOYSA-N 0 2 582.611 4.188 1 0 KIAFLN Nc1noc2ccc(-c3cccnc3Oc3cc(F)c(S(=O)(=O)Nc4ncns4)cc3F)cc12 ZINC000205532800 562875568 /nfs/dbraw/zinc/87/55/68/562875568.db2.gz RFAPBCNGVGHECI-UHFFFAOYSA-N 0 2 502.484 4.195 1 0 KIAFLN O=S(=O)(Nc1ccncn1)c1ccc2c(ccnc2OCc2nccn2Cc2ccc(Cl)cc2)c1 ZINC000206089994 562876228 /nfs/dbraw/zinc/87/62/28/562876228.db2.gz JLENINYVKBWPHI-UHFFFAOYSA-N 0 2 506.975 4.303 1 0 KIAFLN O=S(=O)(Nc1nccs1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2C[C@H](O)CO)c1 ZINC000215504513 562877383 /nfs/dbraw/zinc/87/73/83/562877383.db2.gz VKMHCQBOIJLZGO-INIZCTEOSA-N 0 2 509.531 4.074 1 0 KIAFLN O=S(=O)(Nc1nccs1)c1ccc2c(ccnc2-c2ccc(C(F)(F)F)cc2C[C@@H](O)CO)c1 ZINC000215504562 562877368 /nfs/dbraw/zinc/87/73/68/562877368.db2.gz VKMHCQBOIJLZGO-MRXNPFEDSA-N 0 2 509.531 4.074 1 0 KIAFLN O=C(c1ccc(NS(=O)(=O)c2cccc3scnc32)cc1)N1CCC(O)(c2nc(Cl)cs2)CC1 ZINC000220521382 562878524 /nfs/dbraw/zinc/87/85/24/562878524.db2.gz XWQMONFBGADULZ-UHFFFAOYSA-N 0 2 535.072 4.331 1 0 KIAFLN CCNC(=O)NS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC3(CC1)OCc1ccccc13)c2Nc1cc(C)ccc1Cl ZINC000221253631 562878865 /nfs/dbraw/zinc/87/88/65/562878865.db2.gz ZOTVYZSJWXIRPW-UHFFFAOYSA-N 0 2 624.123 4.104 1 0 KIAFLN Nc1nc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(/C=C/CC(F)(F)F)CC3)cc2)s1 ZINC000221277389 562878937 /nfs/dbraw/zinc/87/89/37/562878937.db2.gz DNTZXQFPZKAUMP-XNWCZRBMSA-N 0 2 540.589 4.155 1 0 KIAFLN Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000222006639 562879474 /nfs/dbraw/zinc/87/94/74/562879474.db2.gz ZUBNIDUYIFICOB-AREMUKBSSA-N 0 2 643.809 4.288 1 0 KIAFLN Cc1cc2nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000222006639 562879473 /nfs/dbraw/zinc/87/94/73/562879473.db2.gz ZUBNIDUYIFICOB-AREMUKBSSA-N 0 2 643.809 4.288 1 0 KIAFLN Cc1cc2nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000222006692 562879501 /nfs/dbraw/zinc/87/95/01/562879501.db2.gz ZUBNIDUYIFICOB-SANMLTNESA-N 0 2 643.809 4.288 1 0 KIAFLN Cc1cc2nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc3ccccc3)sc2cc1-c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000222006692 562879500 /nfs/dbraw/zinc/87/95/00/562879500.db2.gz ZUBNIDUYIFICOB-SANMLTNESA-N 0 2 643.809 4.288 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000222075363 562879511 /nfs/dbraw/zinc/87/95/11/562879511.db2.gz LQYXTWFQFAQJLX-GDLZYMKVSA-N 0 2 645.763 4.408 1 0 KIAFLN Cc1nnc(CNC(=O)[C@H](c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000222075363 562879510 /nfs/dbraw/zinc/87/95/10/562879510.db2.gz LQYXTWFQFAQJLX-GDLZYMKVSA-N 0 2 645.763 4.408 1 0 KIAFLN Cc1nnc(CNC(=O)C(c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000222075420 562879547 /nfs/dbraw/zinc/87/95/47/562879547.db2.gz LQYXTWFQFAQJLX-LJAQVGFWSA-N 0 2 645.763 4.408 1 0 KIAFLN Cc1nnc(CNC(=O)[C@@H](c2nc3cc(C)c(-c4ccc(C(=O)N5CCOCC5)cc4)cc3s2)S(=O)(=O)Cc2ccccc2)o1 ZINC000222075420 562879546 /nfs/dbraw/zinc/87/95/46/562879546.db2.gz LQYXTWFQFAQJLX-LJAQVGFWSA-N 0 2 645.763 4.408 1 0 KIAFLN COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222077695 562879535 /nfs/dbraw/zinc/87/95/35/562879535.db2.gz RLRCAANRJXILDJ-XMMPIXPASA-N 0 2 657.714 4.069 1 0 KIAFLN COCc1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222077695 562879534 /nfs/dbraw/zinc/87/95/34/562879534.db2.gz RLRCAANRJXILDJ-XMMPIXPASA-N 0 2 657.714 4.069 1 0 KIAFLN COCc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222077744 562879527 /nfs/dbraw/zinc/87/95/27/562879527.db2.gz RLRCAANRJXILDJ-DEOSSOPVSA-N 0 2 657.714 4.069 1 0 KIAFLN COCc1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222077744 562879526 /nfs/dbraw/zinc/87/95/26/562879526.db2.gz RLRCAANRJXILDJ-DEOSSOPVSA-N 0 2 657.714 4.069 1 0 KIAFLN CC(=O)Nc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)sc3c2)cc1 ZINC000222077830 562879507 /nfs/dbraw/zinc/87/95/07/562879507.db2.gz ZMSSHPADBRFAEH-XMMPIXPASA-N 0 2 654.714 4.001 1 0 KIAFLN CC(=O)Nc1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)sc3c2)cc1 ZINC000222077830 562879506 /nfs/dbraw/zinc/87/95/06/562879506.db2.gz ZMSSHPADBRFAEH-XMMPIXPASA-N 0 2 654.714 4.001 1 0 KIAFLN CC(=O)Nc1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)sc3c2)cc1 ZINC000222077896 562879560 /nfs/dbraw/zinc/87/95/60/562879560.db2.gz ZMSSHPADBRFAEH-DEOSSOPVSA-N 0 2 654.714 4.001 1 0 KIAFLN CC(=O)Nc1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(C(F)(F)F)cc4)sc3c2)cc1 ZINC000222077896 562879559 /nfs/dbraw/zinc/87/95/59/562879559.db2.gz ZMSSHPADBRFAEH-DEOSSOPVSA-N 0 2 654.714 4.001 1 0 KIAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222080444 562879610 /nfs/dbraw/zinc/87/96/10/562879610.db2.gz BZFPGJPTTUEYCM-RUZDIDTESA-N 0 2 746.758 4.404 1 0 KIAFLN NS(=O)(=O)CCNC(=O)[C@H](c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222080444 562879609 /nfs/dbraw/zinc/87/96/09/562879609.db2.gz BZFPGJPTTUEYCM-RUZDIDTESA-N 0 2 746.758 4.404 1 0 KIAFLN NS(=O)(=O)CCNC(=O)C(c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222080493 562879600 /nfs/dbraw/zinc/87/96/00/562879600.db2.gz BZFPGJPTTUEYCM-VWLOTQADSA-N 0 2 746.758 4.404 1 0 KIAFLN NS(=O)(=O)CCNC(=O)[C@@H](c1nc2ccc(-c3ccc(C(=O)N4CCC(F)(F)C4)cc3)cc2s1)S(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000222080493 562879599 /nfs/dbraw/zinc/87/95/99/562879599.db2.gz BZFPGJPTTUEYCM-VWLOTQADSA-N 0 2 746.758 4.404 1 0 KIAFLN COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222119777 562879704 /nfs/dbraw/zinc/87/97/04/562879704.db2.gz ZZFRVJBBRWCGOI-AREMUKBSSA-N 0 2 742.820 4.078 1 0 KIAFLN COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc([C@@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222119777 562879703 /nfs/dbraw/zinc/87/97/03/562879703.db2.gz ZZFRVJBBRWCGOI-AREMUKBSSA-N 0 2 742.820 4.078 1 0 KIAFLN COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc(C(C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222119837 562879675 /nfs/dbraw/zinc/87/96/75/562879675.db2.gz ZZFRVJBBRWCGOI-SANMLTNESA-N 0 2 742.820 4.078 1 0 KIAFLN COCC(C)(C)NC(=O)c1ccc(-c2ccc3nc([C@H](C(=O)NCCS(N)(=O)=O)S(=O)(=O)Cc4ccc(OC(F)(F)F)cc4)sc3c2)cc1 ZINC000222119837 562879674 /nfs/dbraw/zinc/87/96/74/562879674.db2.gz ZZFRVJBBRWCGOI-SANMLTNESA-N 0 2 742.820 4.078 1 0 KIAFLN O=C(c1ccc(NS(=O)(=O)c2ccc(F)c3nccnc23)cc1)N1CCC(O)(c2ccccc2Cl)CC1 ZINC000224382938 562880452 /nfs/dbraw/zinc/88/04/52/562880452.db2.gz BZJSFELQCYLILB-UHFFFAOYSA-N 0 2 541.004 4.347 1 0 KIAFLN C[C@@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc43)cc2)CC1)C(F)F ZINC000224383156 562880441 /nfs/dbraw/zinc/88/04/41/562880441.db2.gz WLLPJANHEPGXEO-HNNXBMFYSA-N 0 2 509.600 4.356 1 0 KIAFLN C[C@H](CC1(O)CCN(C(=O)c2ccc(NS(=O)(=O)c3cccc4scnc43)cc2)CC1)C(F)F ZINC000224383212 562880423 /nfs/dbraw/zinc/88/04/23/562880423.db2.gz WLLPJANHEPGXEO-OAHLLOKOSA-N 0 2 509.600 4.356 1 0 KIAFLN CNc1nc2c(cccc2S(=O)(=O)Nc2ccc(C(=O)N3CCC(O)(CC(C)C)CC3)cc2)s1 ZINC000224392307 562880456 /nfs/dbraw/zinc/88/04/56/562880456.db2.gz OADXPXQIVOAGPF-UHFFFAOYSA-N 0 2 502.662 4.152 1 0 KIAFLN CCNC(=O)NS(=O)(=O)c1cnn2c1ncc(C(=O)N1CCC3(CC1)OCc1ccccc13)c2Nc1ccc(Cl)cc1C ZINC000224686287 562880470 /nfs/dbraw/zinc/88/04/70/562880470.db2.gz IECLYUKXGMLLOE-UHFFFAOYSA-N 0 2 624.123 4.104 1 0 KIAFLN Cc1ccc(Cl)c(Nc2c(C(=O)N3CCC4(CC3)OCc3ccccc34)cnc3c(S(=O)(=O)NC(=O)NC4CCOCC4)cnn32)c1 ZINC000224713391 562880527 /nfs/dbraw/zinc/88/05/27/562880527.db2.gz FRQWNRPBELEKIX-UHFFFAOYSA-N 0 2 680.187 4.263 1 0 KIAFLN CC(C)S(=O)(=O)c1ccccc1Nc1nc(Nc2nc(C(=O)N3C[C@H]4CC[C@@H](C3)O4)cs2)ncc1Cl ZINC000299828407 562884457 /nfs/dbraw/zinc/88/44/57/562884457.db2.gz VCZOBXHDCBJMQD-GASCZTMLSA-N 0 2 549.078 4.259 1 0 KIAFLN O=S(=O)(Nc1ccc(-c2nc3n[nH]cc3c(O[C@H]3CC[C@H](O)CC3)n2)cc1)c1cc(Cl)ccc1F ZINC000299830374 562885223 /nfs/dbraw/zinc/88/52/23/562885223.db2.gz IKBMUGXVSJZWGW-QAQDUYKDSA-N 0 2 517.970 4.296 1 0 KIAFLN CO[C@@H]1C=CO[C@@]2(C)Oc3c(c4c([O-])c(-[n+]5cccc(C(N)=O)c5)c(c(O)c4c(O)c3C)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 ZINC000299833456 562886184 /nfs/dbraw/zinc/88/61/84/562886184.db2.gz SGVHBQUTUVWDAL-DKJQRHNCSA-O 0 2 818.897 4.130 1 0 KIAFLN CCn1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(=O)c2ccc(C)nc21 ZINC000473086856 562897114 /nfs/dbraw/zinc/89/71/14/562897114.db2.gz IHSUWISZSJIJNS-YTTGMZPUSA-N 0 2 731.785 4.383 1 0 KIAFLN 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CCn1cc([C@@]2(c3n[nH]c(=S)o3)N[C@@H](c3nc(-c4ccc(F)cn4)c[nH]3)Cc3c4ccccc4[nH]c32)cn1 ZINC000473125546 562899704 /nfs/dbraw/zinc/89/97/04/562899704.db2.gz QUULKZXELSVNFZ-FQRUVTKNSA-N 0 2 527.589 4.159 1 0 KIAFLN CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(C(=O)[C@H](Cc4c[nH]c5ccccc45)NC(=O)c4cn(CC)c5nc(C)ccc5c4=O)CC3)cc21 ZINC000473130269 562900101 /nfs/dbraw/zinc/90/01/01/562900101.db2.gz KLGWOEUQOGBHKO-HKBQPEDESA-N 0 2 719.774 4.068 1 0 KIAFLN COC(=O)c1cc(CNc2ccc(S(=O)(=O)Nc3nnc(C)s3)cc2)cc(-c2ccc(OC)nc2)c1 ZINC000473130920 562900125 /nfs/dbraw/zinc/90/01/25/562900125.db2.gz MLSXVXDQWQAGPB-UHFFFAOYSA-N 0 2 525.612 4.117 1 0 KIAFLN CCn1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4C3CC3)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000473132413 562900214 /nfs/dbraw/zinc/90/02/14/562900214.db2.gz RYRNSRDXTRDFFS-HKBQPEDESA-N 0 2 760.779 4.408 1 0 KIAFLN CCn1cc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CCN(c3cc4c(cc3F)c(=O)c(C(=O)O)cn4CC)CC2)c(=O)c2cc3c(cc21)OCO3 ZINC000473133126 562900376 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