smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCN(C(=O)[C@@H](Cc2c[nH]c4ccccc24)NC(=O)C(C)(C)N)C3)cc1 ZINC000001893530 561680138 /nfs/dbraw/zinc/68/01/38/561680138.db2.gz JFGAZVOQOJZFHA-MUUNZHRXSA-N -1 3 573.719 3.627 1 0 KHAFHM CCCCS(=O)(=O)Nc1cccc(-c2nnc(=O)n3c(Br)c(Br)[n-]c23)c1 ZINC000001893689 561680125 /nfs/dbraw/zinc/68/01/25/561680125.db2.gz CAXQFRKUUBOXBI-UHFFFAOYSA-N -1 3 505.192 3.564 1 0 KHAFHM CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN([O-])C=O)C(=O)c1cc(F)c(F)cc1N1CCOCC1 ZINC000003818573 561683162 /nfs/dbraw/zinc/68/31/62/561683162.db2.gz VRBTYGBBFHOEHU-HOYKHHGWSA-N -1 3 509.594 3.559 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000003825625 561683372 /nfs/dbraw/zinc/68/33/72/561683372.db2.gz XYSKNVGAYIZBCK-UHFFFAOYSA-N -1 3 511.630 3.955 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2CCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000003825625 561683371 /nfs/dbraw/zinc/68/33/71/561683371.db2.gz XYSKNVGAYIZBCK-UHFFFAOYSA-N -1 3 511.630 3.955 1 0 KHAFHM COc1ccc(COc2nc(Br)cnc2[N-]S(=O)(=O)c2ccc(C)cc2)cc1OCCN(C)C ZINC000003937727 561688699 /nfs/dbraw/zinc/68/86/99/561688699.db2.gz RNYPICBYZMHNQT-UHFFFAOYSA-N -1 3 551.463 3.876 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccc(OC)cc1 ZINC000003962985 561691256 /nfs/dbraw/zinc/69/12/56/561691256.db2.gz USUCTYFCBKXWCD-AEVAFVADSA-N -1 3 503.684 3.606 1 0 KHAFHM CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2cccnc2)n1)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000003988879 561693183 /nfs/dbraw/zinc/69/31/83/561693183.db2.gz JBXZNIFMTVSEQN-LADGPHEKSA-N -1 3 556.689 3.587 1 0 KHAFHM CCCC[C@H](NC(=O)O[C@H](Cn1ccc(-c2ccncc2)n1)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000003988880 561693151 /nfs/dbraw/zinc/69/31/51/561693151.db2.gz NHFKTEZZOWFJBK-LADGPHEKSA-N -1 3 556.689 3.587 1 0 KHAFHM C[C@H](NC(=O)O[C@H](Cn1cnc2cc(Cl)c(Cl)cc21)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000003988882 561693192 /nfs/dbraw/zinc/69/31/92/561693192.db2.gz SYBYCMXFKUMMNW-VBKZILBWSA-N -1 3 556.472 3.815 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000005582753 561697180 /nfs/dbraw/zinc/69/71/80/561697180.db2.gz XLMQHOWHUACFMZ-OMZRSGGISA-N -1 3 512.695 3.699 1 0 KHAFHM CCOC(=O)c1sc([N-]c2nc3c(c(N4CCNCC4)n2)CCCN3Cc2cc(OC)c(OC)c(OC)c2)nc1C ZINC000006733306 561703224 /nfs/dbraw/zinc/70/32/24/561703224.db2.gz MVIWXRZOQSTYBS-UHFFFAOYSA-N -1 3 583.715 3.550 1 0 KHAFHM CC1(C)OC[C@H](C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N([O-])C=O)O1 ZINC000013471954 561714079 /nfs/dbraw/zinc/71/40/79/561714079.db2.gz GPQULZGUYNODGJ-KXBFYZLASA-N -1 3 519.494 3.909 1 0 KHAFHM CN[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)c1ccccc1 ZINC000013583069 561720223 /nfs/dbraw/zinc/72/02/23/561720223.db2.gz VUVPXGALQVKZLU-UMOZQIECSA-N -1 3 507.675 3.794 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)SC)C(C)(C)c1ccccc1 ZINC000013583072 561720127 /nfs/dbraw/zinc/72/01/27/561720127.db2.gz ADJNLKDNFTUPQY-PSRNMDMQSA-N -1 3 505.725 3.693 1 0 KHAFHM CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN([O-])C=O)C(=O)c1ccc(N2CCC(O)CC2)c(F)c1 ZINC000013588297 561721040 /nfs/dbraw/zinc/72/10/40/561721040.db2.gz IBOKHVLONITYHP-CJFMBICVSA-N -1 3 505.631 3.545 1 0 KHAFHM CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN([O-])C=O)C(=O)c1cc(F)c(F)cc1N1CCC(O)CC1 ZINC000013588298 561720975 /nfs/dbraw/zinc/72/09/75/561720975.db2.gz ACTMAVUNQPFPJO-IQGLISFBSA-N -1 3 523.621 3.684 1 0 KHAFHM CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN([O-])C=O)C(=O)c1ccc(N2CCC[C@H]2CO)c(F)c1 ZINC000013588300 561721035 /nfs/dbraw/zinc/72/10/35/561721035.db2.gz KPIGKYVXZOAYLT-TYBLODHISA-N -1 3 505.631 3.545 1 0 KHAFHM CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN([O-])C=O)C(=O)c1cc(F)c(F)cc1N1CCC[C@H]1CO ZINC000013588301 561721045 /nfs/dbraw/zinc/72/10/45/561721045.db2.gz LGPFPZQLKIZTPW-HHJKRLRDSA-N -1 3 523.621 3.684 1 0 KHAFHM O=C(Nc1cccc2c1C(=O)c1c(-c3ccc(C(=O)N4CCCCCC4)s3)n[n-]c1-2)NN1CCOCC1 ZINC000013588767 561721213 /nfs/dbraw/zinc/72/12/13/561721213.db2.gz TUYLMRPURJKRHR-UHFFFAOYSA-N -1 3 520.615 3.735 1 0 KHAFHM CCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013736767 561725544 /nfs/dbraw/zinc/72/55/44/561725544.db2.gz SYQCYTQBFYWWPW-UHFFFAOYSA-N -1 3 510.602 3.524 1 0 KHAFHM CCc1nc2ccn(CC(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013736767 561725541 /nfs/dbraw/zinc/72/55/41/561725541.db2.gz SYQCYTQBFYWWPW-UHFFFAOYSA-N -1 3 510.602 3.524 1 0 KHAFHM CCc1nc2ccn(CC(=O)N3CCCCC3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013736769 561725600 /nfs/dbraw/zinc/72/56/00/561725600.db2.gz SPUPGKSCQBKDNS-UHFFFAOYSA-N -1 3 522.613 3.668 1 0 KHAFHM CCc1nc2ccn(CC(=O)N3CCCCC3)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013736769 561725599 /nfs/dbraw/zinc/72/55/99/561725599.db2.gz SPUPGKSCQBKDNS-UHFFFAOYSA-N -1 3 522.613 3.668 1 0 KHAFHM CCCc1nc(C)n2nc(NCC(=O)OCC)nc2c1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013737989 561725682 /nfs/dbraw/zinc/72/56/82/561725682.db2.gz PKOKTPHRCIAYRT-UHFFFAOYSA-N -1 3 511.590 3.798 1 0 KHAFHM CCCc1nc(C)n2nc(NCC(=O)OCC)nc2c1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013737989 561725681 /nfs/dbraw/zinc/72/56/81/561725681.db2.gz PKOKTPHRCIAYRT-UHFFFAOYSA-N -1 3 511.590 3.798 1 0 KHAFHM CCCCc1nc(-c2ccc(C(=O)OC)[n+]([O-])n2)cn1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000013742411 561726363 /nfs/dbraw/zinc/72/63/63/561726363.db2.gz ZTSDJDPZKGONPN-UHFFFAOYSA-N -1 3 510.558 3.603 1 0 KHAFHM CCCCc1nc(-c2ccc(C(=O)OC)[n+]([O-])n2)cn1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000013742411 561726361 /nfs/dbraw/zinc/72/63/61/561726361.db2.gz ZTSDJDPZKGONPN-UHFFFAOYSA-N -1 3 510.558 3.603 1 0 KHAFHM COc1ccc([C@@H]2[C@@H](C(=O)[O-])[C@H](c3ccc4c(c3)OCO4)CN2CC(=O)N(C)Cc2ccccc2)cc1 ZINC000013746935 561726890 /nfs/dbraw/zinc/72/68/90/561726890.db2.gz QPPFTTIHCGSDAS-MXSCXNJPSA-N -1 3 502.567 3.924 1 0 KHAFHM O=C(NCCCCN1CCN(c2nsc3ccccc32)CC1)c1c(O)ccc(Br)c1[O-] ZINC000013747160 561726973 /nfs/dbraw/zinc/72/69/73/561726973.db2.gz YQHSWEOSWHNZLJ-UHFFFAOYSA-N -1 3 505.438 3.802 1 0 KHAFHM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)CCC ZINC000013765586 561728426 /nfs/dbraw/zinc/72/84/26/561728426.db2.gz ACFKURGLCFFKSZ-RCXJIHSJSA-N -1 3 532.659 3.717 1 0 KHAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCC1OCCCO1 ZINC000013780898 561729290 /nfs/dbraw/zinc/72/92/90/561729290.db2.gz VFGAMOVSTAXQPU-UMTXDNHDSA-N -1 3 518.651 3.856 1 0 KHAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCCC1OCCO1 ZINC000013780899 561729338 /nfs/dbraw/zinc/72/93/38/561729338.db2.gz XTWOCKNOYHCLDP-UMTXDNHDSA-N -1 3 518.651 3.856 1 0 KHAFHM O=c1nc2[nH]c3ccc(OCCCCc4nnnn4C4CCN(Cc5ccc(F)cc5)CC4)cc3cc-2[n-]1 ZINC000013833433 561733867 /nfs/dbraw/zinc/73/38/67/561733867.db2.gz ARPCKMFBGKESRV-UHFFFAOYSA-N -1 3 516.581 3.769 1 0 KHAFHM O=C1OC(=CCn2cc(C(F)(F)F)c(=O)[n-]c2=O)C(OCc2ccccc2)=C1OCc1ccccc1 ZINC000013913725 561735727 /nfs/dbraw/zinc/73/57/27/561735727.db2.gz CNDOSXSVVXIDRN-ODLFYWEKSA-N -1 3 500.429 3.641 1 0 KHAFHM COc1ccc([C@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1O ZINC000014113395 561736538 /nfs/dbraw/zinc/73/65/38/561736538.db2.gz WLMWXPVAHPISEZ-HHHXNRCGSA-N -1 3 608.644 3.562 1 0 KHAFHM CC(C)(C)[C@@H](Cn1ccc(-c2ccc(C(F)(F)F)cc2)n1)OC(=O)NCC(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000014972258 561751479 /nfs/dbraw/zinc/75/14/79/561751479.db2.gz NKGFWSINYBGTKN-OAQYLSRUSA-N -1 3 567.590 3.652 1 0 KHAFHM CCCC[C@H](NC(=O)O[C@H](Cn1ccc(C(F)(F)F)n1)C(C)(C)C)C(=O)C[N-]S(=O)(=O)c1ccccn1 ZINC000014972274 561751467 /nfs/dbraw/zinc/75/14/67/561751467.db2.gz ZPQUDRGVSRMTTR-QFBILLFUSA-N -1 3 547.600 3.544 1 0 KHAFHM Cc1ccc(C[C@@H](CNC(=O)Cc2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973195 561751890 /nfs/dbraw/zinc/75/18/90/561751890.db2.gz RMOKHHQCLRLRLE-NRFANRHFSA-N -1 3 506.640 3.921 1 0 KHAFHM Cc1ccc(C[C@H](CNC(=O)Cc2ccc([N-]S(C)(=O)=O)c(F)c2)COC(=O)C(C)(C)C)cc1C ZINC000014973199 561751902 /nfs/dbraw/zinc/75/19/02/561751902.db2.gz RMOKHHQCLRLRLE-OAQYLSRUSA-N -1 3 506.640 3.921 1 0 KHAFHM CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2[O-])c1-c1ccc(CNC(=O)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000014974804 561752135 /nfs/dbraw/zinc/75/21/35/561752135.db2.gz YLZJPRNJPBCDDK-QGZVFWFLSA-N -1 3 512.010 3.516 1 0 KHAFHM CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2[O-])c1-c1ccc(CNC(=O)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000014974804 561752134 /nfs/dbraw/zinc/75/21/34/561752134.db2.gz YLZJPRNJPBCDDK-QGZVFWFLSA-N -1 3 512.010 3.516 1 0 KHAFHM CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2[O-])c1-c1ccc(CNC(=O)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000014974807 561752113 /nfs/dbraw/zinc/75/21/13/561752113.db2.gz YLZJPRNJPBCDDK-KRWDZBQOSA-N -1 3 512.010 3.516 1 0 KHAFHM CCNC(=O)c1[nH]nc(-c2cc(Cl)c([O-])cc2[O-])c1-c1ccc(CNC(=O)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000014974807 561752112 /nfs/dbraw/zinc/75/21/12/561752112.db2.gz YLZJPRNJPBCDDK-KRWDZBQOSA-N -1 3 512.010 3.516 1 0 KHAFHM O=C([O-])CCC(=O)N(CCCN1CCN(CCCNc2ccnc3cc(Cl)ccc32)CC1)CC1CC1 ZINC000022930591 561760220 /nfs/dbraw/zinc/76/02/20/561760220.db2.gz PUSYKFULBVBEBE-UHFFFAOYSA-N -1 3 516.086 3.801 1 0 KHAFHM CC(C)N1CCN([C@@]2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000022933637 561760520 /nfs/dbraw/zinc/76/05/20/561760520.db2.gz GIJHNOWTLZLFTF-UHFFFAOYSA-N -1 3 501.381 3.669 1 0 KHAFHM CC(C)N1CCN([C@]2(c3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[N-]C(=O)NC2=O)CC1 ZINC000022933637 561760518 /nfs/dbraw/zinc/76/05/18/561760518.db2.gz GIJHNOWTLZLFTF-UHFFFAOYSA-N -1 3 501.381 3.669 1 0 KHAFHM Cc1cccc([O-])c1C(=O)N1CCC(C)(N2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)[C@@H](C)C2)CC1 ZINC000022941910 561761258 /nfs/dbraw/zinc/76/12/58/561761258.db2.gz DCQTZTFWQIEXHS-VXKWHMMOSA-N -1 3 513.704 3.866 1 0 KHAFHM Cc1cc(COc2ccc([C@]3(N4CCN(C(C)C)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000023247646 561761342 /nfs/dbraw/zinc/76/13/42/561761342.db2.gz INGVNDTUNOZHOP-UHFFFAOYSA-N -1 3 501.587 3.550 1 0 KHAFHM Cc1cc(COc2ccc([C@@]3(N4CCN(C(C)C)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000023247646 561761340 /nfs/dbraw/zinc/76/13/40/561761340.db2.gz INGVNDTUNOZHOP-UHFFFAOYSA-N -1 3 501.587 3.550 1 0 KHAFHM CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@@](=O)c1cccc2ccccc21)[N-]S(C)(=O)=O ZINC000026015505 561766195 /nfs/dbraw/zinc/76/61/95/561766195.db2.gz SZMMNWFCIRPMAP-GRURLQSASA-N -1 3 663.862 3.725 1 0 KHAFHM CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@](=O)c1cccc2ccccc21)[N-]S(C)(=O)=O ZINC000026015512 561766187 /nfs/dbraw/zinc/76/61/87/561766187.db2.gz SZMMNWFCIRPMAP-BIIRPHAJSA-N -1 3 663.862 3.725 1 0 KHAFHM CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@@](=O)c1ccc(C(F)(F)F)cc1)[N-]S(C)(=O)=O ZINC000026018026 561766446 /nfs/dbraw/zinc/76/64/46/561766446.db2.gz NPLFNBJIFTVVCM-BVNZWBLDSA-N -1 3 681.799 3.590 1 0 KHAFHM CC(C)(C)NC(=O)c1ccccc1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](C[S@](=O)c1ccc(C(F)(F)F)cc1)[N-]S(C)(=O)=O ZINC000026018034 561766423 /nfs/dbraw/zinc/76/64/23/561766423.db2.gz NPLFNBJIFTVVCM-QZHLKIOFSA-N -1 3 681.799 3.590 1 0 KHAFHM CCCN1CCN(c2nc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3nc2N2CCN(CCC)CC2)CC1 ZINC000026168753 561769547 /nfs/dbraw/zinc/76/95/47/561769547.db2.gz NOMBZDJACXQBJG-UHFFFAOYSA-N -1 3 551.761 3.803 1 0 KHAFHM CCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026181552 561771819 /nfs/dbraw/zinc/77/18/19/561771819.db2.gz GPHKXRPREJMHKY-UHFFFAOYSA-N -1 3 536.592 3.693 1 0 KHAFHM CCCc1cc(=O)n(Cc2ccccc2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026181552 561771818 /nfs/dbraw/zinc/77/18/18/561771818.db2.gz GPHKXRPREJMHKY-UHFFFAOYSA-N -1 3 536.592 3.693 1 0 KHAFHM CCCOc1ccc(S(=O)(=O)N2CCN(CP(=O)(OCC)OCC)CC2)cc1-c1nc2c(CCC)nn(C)c2c(=O)[n-]1 ZINC000026185777 561772497 /nfs/dbraw/zinc/77/24/97/561772497.db2.gz KOLRIJQNXUCNRR-UHFFFAOYSA-N -1 3 624.701 3.595 1 0 KHAFHM CCCc1nc(CN2CCN(c3ccccn3)CC2)c(CO)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000026376267 561782032 /nfs/dbraw/zinc/78/20/32/561782032.db2.gz BJASFIMUPNVGKL-UHFFFAOYSA-N -1 3 549.683 3.941 1 0 KHAFHM CCCc1nc(CN2CCN(c3ccccn3)CC2)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000026376267 561782031 /nfs/dbraw/zinc/78/20/31/561782031.db2.gz BJASFIMUPNVGKL-UHFFFAOYSA-N -1 3 549.683 3.941 1 0 KHAFHM CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000026386799 561784617 /nfs/dbraw/zinc/78/46/17/561784617.db2.gz BREQGYQIPZECIX-RCZVLFRGSA-N -1 3 505.659 3.754 1 0 KHAFHM CC(C)(N)C(=O)N[C@H](CCCc1ccccc1)C(=O)N1CCC2(C[C@H](CC(=O)[O-])c3ccccc32)CC1 ZINC000026398946 561787749 /nfs/dbraw/zinc/78/77/49/561787749.db2.gz BREQGYQIPZECIX-WIOPSUGQSA-N -1 3 505.659 3.754 1 0 KHAFHM CC1(C)OC[C@@H](C[C@@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N([O-])C=O)O1 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CCOC(=O)C1=C(COCc2cc(=O)[n-]c(N)n2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000026477098 561791177 /nfs/dbraw/zinc/79/11/77/561791177.db2.gz BUURWRCAHAWRCP-QTTZHIOCSA-N -1 3 523.373 3.667 1 0 KHAFHM CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@H](NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2=O)c1 ZINC000026577260 561801262 /nfs/dbraw/zinc/80/12/62/561801262.db2.gz QENGHMDIQHSGLU-DEOSSOPVSA-N -1 3 554.607 3.770 1 0 KHAFHM CC(C)NC(=O)Nc1cccc(CN2c3ccccc3CC[C@@H](NC(=O)Nc3ccc4c(c3)C(=O)[N-]C4=O)C2=O)c1 ZINC000026577261 561801280 /nfs/dbraw/zinc/80/12/80/561801280.db2.gz QENGHMDIQHSGLU-XMMPIXPASA-N -1 3 554.607 3.770 1 0 KHAFHM COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000026580261 561805722 /nfs/dbraw/zinc/80/57/22/561805722.db2.gz POGQLWFFAXIAJJ-UHFFFAOYSA-N -1 3 612.627 3.550 1 0 KHAFHM CCOC(=O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026643966 561807234 /nfs/dbraw/zinc/80/72/34/561807234.db2.gz GSPUMOVYWXISBB-HHHXNRCGSA-N -1 3 595.704 3.819 1 0 KHAFHM CCOC(=O)CNC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026643966 561807232 /nfs/dbraw/zinc/80/72/32/561807232.db2.gz GSPUMOVYWXISBB-HHHXNRCGSA-N -1 3 595.704 3.819 1 0 KHAFHM COc1cc(OC)c(C(=O)CCCCN2CCC3(CC2)NC(=O)NC3=O)cc1[N-]S(=O)(=O)c1ccc(C(C)C)cc1 ZINC000026652703 561808745 /nfs/dbraw/zinc/80/87/45/561808745.db2.gz WQBRLHICBUGYPB-UHFFFAOYSA-N -1 3 586.711 3.655 1 0 KHAFHM COc1c2c(c(-c3c4c(c(OC)c(Br)c3C(=O)NCCN3CCCC3)OCO4)c(C(=O)[O-])c1Br)OCO2 ZINC000026825546 561821835 /nfs/dbraw/zinc/82/18/35/561821835.db2.gz JVTARUTVJAHUGN-UHFFFAOYSA-N -1 3 644.269 3.877 1 0 KHAFHM CN(C)C(=O)CCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000026955589 561829231 /nfs/dbraw/zinc/82/92/31/561829231.db2.gz DSBCUFJDUUNBFX-SANMLTNESA-N -1 3 537.624 3.778 1 0 KHAFHM CN(C)C(=O)CCN1C(=O)[C@H](CCc2ccccc2)N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000026955589 561829230 /nfs/dbraw/zinc/82/92/30/561829230.db2.gz DSBCUFJDUUNBFX-SANMLTNESA-N -1 3 537.624 3.778 1 0 KHAFHM CCCS(=O)(=O)N(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)CC(C)C ZINC000026965666 561829901 /nfs/dbraw/zinc/82/99/01/561829901.db2.gz BREMXOULYOZQBW-MVNQZMKCSA-N -1 3 546.686 3.963 1 0 KHAFHM CCCN(CCN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1)S(=O)(=O)CC(C)C ZINC000026969688 561830350 /nfs/dbraw/zinc/83/03/50/561830350.db2.gz KFYQTBHXMOGBAB-MVNQZMKCSA-N -1 3 546.686 3.963 1 0 KHAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCn1ccccc1=O ZINC000026973235 561830580 /nfs/dbraw/zinc/83/05/80/561830580.db2.gz JGBSZAYMYUICNA-AWVRMFGXSA-N -1 3 525.646 3.565 1 0 KHAFHM CCCCN(CCCC)C(=O)CN1C[C@H](c2ccc3c(c2)OCO3)[C@@H](C(=O)[O-])[C@@H]1CCN1CCCCC1=O ZINC000026973241 561830611 /nfs/dbraw/zinc/83/06/11/561830611.db2.gz DKKJGEKJWRTLKY-AWVRMFGXSA-N -1 3 529.678 3.715 1 0 KHAFHM CC[C@@H](C)[C@@H](CN(CC(=O)N[C@@H](CCSC)C(=O)[O-])Cc1cccc2ccccc21)NCc1cnc[nH]1 ZINC000026974713 561830799 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CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000027075014 561834021 /nfs/dbraw/zinc/83/40/21/561834021.db2.gz KJECINJFNZWONV-WUFINQPMSA-N -1 3 582.657 3.566 1 0 KHAFHM CCCc1nc(C(C)(C)O)c(C(=O)OCc2coc(=O)o2)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027078207 561834601 /nfs/dbraw/zinc/83/46/01/561834601.db2.gz ACDJZFSANMRZLQ-UHFFFAOYSA-N -1 3 544.568 3.862 1 0 KHAFHM CCCc1nc(C(C)(C)O)c(C(=O)OCc2coc(=O)o2)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027078207 561834599 /nfs/dbraw/zinc/83/45/99/561834599.db2.gz ACDJZFSANMRZLQ-UHFFFAOYSA-N -1 3 544.568 3.862 1 0 KHAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccccc2Cl)cc1 ZINC000027097223 561838089 /nfs/dbraw/zinc/83/80/89/561838089.db2.gz XRHAFQYWBBFUSR-ZCYQVOJMSA-N -1 3 534.034 3.603 1 0 KHAFHM CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2[S-])CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000027101436 561838853 /nfs/dbraw/zinc/83/88/53/561838853.db2.gz MXQKEJBEBISBEI-JTIWOIDISA-N -1 3 644.882 3.761 1 0 KHAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000027103092 561839298 /nfs/dbraw/zinc/83/92/98/561839298.db2.gz UFUYZTGWKUYHTK-ZCYQVOJMSA-N -1 3 534.034 3.603 1 0 KHAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000027103574 561839477 /nfs/dbraw/zinc/83/94/77/561839477.db2.gz LXPPHQOFVPTESH-ZCYQVOJMSA-N -1 3 552.024 3.742 1 0 KHAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2cccc(Cl)c2)cc1 ZINC000027103577 561839412 /nfs/dbraw/zinc/83/94/12/561839412.db2.gz IORRZTLEVRVCPK-ZCYQVOJMSA-N -1 3 534.034 3.603 1 0 KHAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2cccc(Br)c2)cc1 ZINC000027104442 561839585 /nfs/dbraw/zinc/83/95/85/561839585.db2.gz WJPBDBZUIQSPFO-ZCYQVOJMSA-N -1 3 578.485 3.712 1 0 KHAFHM C[C@@](NC[C@H](O)c1ccc(O)c([N-]S(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(Br)cc1 ZINC000027105219 561839893 /nfs/dbraw/zinc/83/98/93/561839893.db2.gz GDWPCPOKFLSGDZ-UPVQGACJSA-N -1 3 548.459 3.703 1 0 KHAFHM COc1ccc([C@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)C(=O)Nc2ccc3sc(C)nc3c2)cc1 ZINC000027108343 561840691 /nfs/dbraw/zinc/84/06/91/561840691.db2.gz IUECFYADEPVREP-IGKIAQTJSA-N -1 3 570.693 3.868 1 0 KHAFHM CN(C)C(=O)c1cccc(Oc2nc(Oc3cc(C(N)=[NH2+])ccc3[O-])c(F)c(OC3CCN(CC(=O)[O-])CC3)c2F)c1 ZINC000027110078 561841356 /nfs/dbraw/zinc/84/13/56/561841356.db2.gz CYUIADSAPKIADJ-UHFFFAOYSA-N -1 3 585.564 3.564 1 0 KHAFHM O=C(NCc1cccnc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000027196550 561844429 /nfs/dbraw/zinc/84/44/29/561844429.db2.gz ZGSQQUUFGWQGEL-RPBOFIJWSA-N -1 3 575.518 3.727 1 0 KHAFHM O=C(NCc1ccncc1)[C@@H]1CCCN1C(=O)[C@@H](Cc1ccc(Cl)c(Cl)c1)[N-]S(=O)(=O)Cc1ccccc1 ZINC000027200250 561844919 /nfs/dbraw/zinc/84/49/19/561844919.db2.gz ZNNGNRAVHSUUKA-RPBOFIJWSA-N -1 3 575.518 3.727 1 0 KHAFHM CO[C@H]1/C=C\C=C(/C)C(=O)Nc2cc(O)cc(c2[O-])[C@@H](OC)[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O ZINC000027208384 561846457 /nfs/dbraw/zinc/84/64/57/561846457.db2.gz QCXSABHHRSWSID-FQTAVZARSA-N -1 3 562.660 3.703 1 0 KHAFHM Cc1ccc(S(=O)(=O)NCC[C@H](N[C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)C(=O)[O-])cc1 ZINC000027215386 561848115 /nfs/dbraw/zinc/84/81/15/561848115.db2.gz ZAJDMTLZCCTTNJ-DTXPUJKBSA-N -1 3 622.788 3.877 1 0 KHAFHM CCOC(=O)[N-]C(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027215461 561848264 /nfs/dbraw/zinc/84/82/64/561848264.db2.gz OQOVXSRTDCGOBU-VSGBNLITSA-N -1 3 633.149 3.709 1 0 KHAFHM CCOC(=O)N=C([O-])Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027215461 561848262 /nfs/dbraw/zinc/84/82/62/561848262.db2.gz OQOVXSRTDCGOBU-VSGBNLITSA-N -1 3 633.149 3.709 1 0 KHAFHM CCOC([O-])=NC(=O)Nc1ccccc1N1CCN(C(=O)[C@@H](Cc2ccc(Cl)cc2)NC(=O)[C@H]2Cc3ccccc3CN2)CC1 ZINC000027215461 561848259 /nfs/dbraw/zinc/84/82/59/561848259.db2.gz OQOVXSRTDCGOBU-VSGBNLITSA-N -1 3 633.149 3.709 1 0 KHAFHM Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)[C@@H](CNC(=O)C1=NOC2(C1)CCC(CNc1ncc[nH]1)CC2)C(=O)[O-] ZINC000027299705 561848787 /nfs/dbraw/zinc/84/87/87/561848787.db2.gz ICTXJDJNDUREMP-NRFUFCHMSA-N -1 3 593.706 3.854 1 0 KHAFHM COc1ccc(S(=O)(=O)NCC[C@H](N[C@@H](CCc2ccccc2)C(=O)N[C@@H](CC(C)C)C(=O)Nc2ccccc2)C(=O)[O-])cc1 ZINC000027300174 561848915 /nfs/dbraw/zinc/84/89/15/561848915.db2.gz LXCTYQRQUPZROK-DTXPUJKBSA-N -1 3 638.787 3.577 1 0 KHAFHM O=C([O-])[C@H](CNC(=O)C1=NO[C@@H](CCCCNc2[nH]cc[nH+]2)C1)[N-]S(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl ZINC000027311092 561850851 /nfs/dbraw/zinc/85/08/51/561850851.db2.gz FHIDQJNETPMUKT-AVRDEDQJSA-N -1 3 623.519 3.659 1 0 KHAFHM O=C([O-])[C@H](CNC(=O)C1=NO[C@H](CCCCNc2[nH]cc[nH+]2)C1)[N-]S(=O)(=O)c1c(Cl)cc(-c2ccccc2)cc1Cl ZINC000027311098 561850807 /nfs/dbraw/zinc/85/08/07/561850807.db2.gz FHIDQJNETPMUKT-GCJKJVERSA-N -1 3 623.519 3.659 1 0 KHAFHM CC(C)[C@@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c1Cl ZINC000027313689 561851223 /nfs/dbraw/zinc/85/12/23/561851223.db2.gz QCANGWOIIXKSFD-GDLZYMKVSA-N -1 3 722.600 3.808 1 0 KHAFHM CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NCC(=O)COC(=O)c1c(Cl)ccc(S(=O)(=O)[N-]CC(=O)OCc2ccccc2)c1Cl ZINC000027313695 561851174 /nfs/dbraw/zinc/85/11/74/561851174.db2.gz QCANGWOIIXKSFD-LJAQVGFWSA-N -1 3 722.600 3.808 1 0 KHAFHM COc1c(OC)c2c(c(C)c1OC(C)=O)CC[C@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)O2 ZINC000027428183 561858814 /nfs/dbraw/zinc/85/88/14/561858814.db2.gz XKCFRYBMDXGIIA-CCLHPLFOSA-N -1 3 528.627 3.990 1 0 KHAFHM COc1c(OC)c2c(c(C)c1OC(C)=O)CC[C@@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)O2 ZINC000027428188 561858826 /nfs/dbraw/zinc/85/88/26/561858826.db2.gz XKCFRYBMDXGIIA-DCFHFQCYSA-N -1 3 528.627 3.990 1 0 KHAFHM COc1c(OC)c2c(c(C)c1OC(C)=O)CC[C@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)O2 ZINC000027428193 561858732 /nfs/dbraw/zinc/85/87/32/561858732.db2.gz XKCFRYBMDXGIIA-NFQMXDRXSA-N -1 3 528.627 3.990 1 0 KHAFHM COc1c(OC)c2c(c(C)c1OC(C)=O)CC[C@@](C)(CCOc1ccc(Cc3sc(N)nc3[O-])cc1)O2 ZINC000027428198 561858722 /nfs/dbraw/zinc/85/87/22/561858722.db2.gz XKCFRYBMDXGIIA-HRFSGMKKSA-N -1 3 528.627 3.990 1 0 KHAFHM O=C(CC[N-]C(=O)C(F)(F)F)N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC(Cn2cncn2)(C2CCCCC2)CC1 ZINC000027433891 561859755 /nfs/dbraw/zinc/85/97/55/561859755.db2.gz VJBLXWDMNUFOKM-HSZRJFAPSA-N -1 3 597.082 3.917 1 0 KHAFHM COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c2ccc([O-])cc2C)cc1 ZINC000027518287 561862163 /nfs/dbraw/zinc/86/21/63/561862163.db2.gz GPZQBDMYLAHRAE-WUFINQPMSA-N -1 3 540.682 3.758 1 0 KHAFHM CCOC(=O)COc1cc(-c2cc(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccccc5)CC4)cc3o2)ccc1OC ZINC000027548195 561867309 /nfs/dbraw/zinc/86/73/09/561867309.db2.gz CDMVWVQXBATSRJ-UHFFFAOYSA-N -1 3 602.640 3.839 1 0 KHAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1O ZINC000027551430 561867986 /nfs/dbraw/zinc/86/79/86/561867986.db2.gz WLMWXPVAHPISEZ-MHZLTWQESA-N -1 3 608.644 3.562 1 0 KHAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1OC(C)=O ZINC000027553037 561868584 /nfs/dbraw/zinc/86/85/84/561868584.db2.gz ZLKINJKGBMLCTE-NDEPHWFRSA-N -1 3 650.681 3.782 1 0 KHAFHM COc1ccc([C@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5OC)CC4)cc3O2)cc1OC(C)=O ZINC000027553040 561868630 /nfs/dbraw/zinc/86/86/30/561868630.db2.gz ZLKINJKGBMLCTE-MUUNZHRXSA-N -1 3 650.681 3.782 1 0 KHAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5cc(OC)c(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027553174 561868602 /nfs/dbraw/zinc/86/86/02/561868602.db2.gz PMAOFOOIOIEZEQ-SANMLTNESA-N -1 3 608.644 3.562 1 0 KHAFHM COc1ccc([C@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5cc(OC)c(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027553177 561868666 /nfs/dbraw/zinc/86/86/66/561868666.db2.gz PMAOFOOIOIEZEQ-AREMUKBSSA-N -1 3 608.644 3.562 1 0 KHAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027554238 561869022 /nfs/dbraw/zinc/86/90/22/561869022.db2.gz OCXWBTXCSDYGER-MHZLTWQESA-N -1 3 578.618 3.553 1 0 KHAFHM COc1ccc([C@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5ccc(OC)c(OC)c5)CC4)cc3O2)cc1O ZINC000027554240 561869013 /nfs/dbraw/zinc/86/90/13/561869013.db2.gz OCXWBTXCSDYGER-HHHXNRCGSA-N -1 3 578.618 3.553 1 0 KHAFHM COc1ccc([C@@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5cccc(OC)c5OC)CC4)cc3O2)cc1O ZINC000027554242 561868991 /nfs/dbraw/zinc/86/89/91/561868991.db2.gz YRZQWEOITKESSL-MHZLTWQESA-N -1 3 578.618 3.553 1 0 KHAFHM COc1ccc([C@H]2CC(=O)c3c([O-])cc(OCC(=O)N4CCN(Cc5cccc(OC)c5OC)CC4)cc3O2)cc1O ZINC000027554244 561869016 /nfs/dbraw/zinc/86/90/16/561869016.db2.gz YRZQWEOITKESSL-HHHXNRCGSA-N -1 3 578.618 3.553 1 0 KHAFHM CCN(CC)C(=O)COC(=O)CCNC(=O)[C@H](Cc1ccc(-c2ccccc2)cc1)NC[P@](=O)([O-])Oc1ccccc1 ZINC000027558235 561870017 /nfs/dbraw/zinc/87/00/17/561870017.db2.gz YKKZHAROJOALLS-NDEPHWFRSA-N -1 3 595.633 3.994 1 0 KHAFHM CCOC(=O)C1=C(COCCNc2nccc(=O)[n-]2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027630821 561873680 /nfs/dbraw/zinc/87/36/80/561873680.db2.gz LZWNFYMPEWQZBD-YFJJEWJYSA-N -1 3 537.400 3.997 1 0 KHAFHM CCOC(=O)C1=C(COCCNc2nccc(=O)[n-]2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027630827 561873807 /nfs/dbraw/zinc/87/38/07/561873807.db2.gz LZWNFYMPEWQZBD-VKQKAZQBSA-N -1 3 537.400 3.997 1 0 KHAFHM CCOC(=O)C1=C(COCCNc2cc(=O)[n-]cn2)NC(C)=C(C(=O)OC)[C@@H]1c1cccc(Cl)c1Cl ZINC000027639833 561875202 /nfs/dbraw/zinc/87/52/02/561875202.db2.gz GJYMTFTVEYLJKX-WBCOUHNMSA-N -1 3 537.400 3.997 1 0 KHAFHM CCOC(=O)C1=C(COCCNc2cc(=O)[n-]cn2)NC(C)=C(C(=O)OC)[C@H]1c1cccc(Cl)c1Cl ZINC000027639839 561875177 /nfs/dbraw/zinc/87/51/77/561875177.db2.gz GJYMTFTVEYLJKX-LWGCSBEDSA-N -1 3 537.400 3.997 1 0 KHAFHM Cc1cc(-c2ccccc2)cc(C)c1S(=O)(=O)N[C@@H](CNC(=O)c1ccc2c(cnn2CCCNc2ncc[nH]2)c1)C(=O)[O-] ZINC000027649596 561876410 /nfs/dbraw/zinc/87/64/10/561876410.db2.gz UICIXEUWXCRGCE-SANMLTNESA-N -1 3 615.716 3.707 1 0 KHAFHM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)cc1 ZINC000027734000 561881577 /nfs/dbraw/zinc/88/15/77/561881577.db2.gz UYFOIGGSIBWQGC-UHFFFAOYSA-N -1 3 519.988 3.507 1 0 KHAFHM CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)N[C@H](CCN1C(=O)c2cccc3c(Br)ccc(c32)C1=O)C(=O)[O-] ZINC000027739494 561882333 /nfs/dbraw/zinc/88/23/33/561882333.db2.gz QWIPRZJIZDEZJZ-ZNZIZOMTSA-N -1 3 651.558 3.519 1 0 KHAFHM NS(=O)(=O)c1cccc([N-]S(=O)(=O)c2ccc(NCc3cc(=O)oc4cc(Cl)ccc34)cc2)c1 ZINC000027740529 561882504 /nfs/dbraw/zinc/88/25/04/561882504.db2.gz CWWNTMKCOPSSCO-UHFFFAOYSA-N -1 3 519.988 3.507 1 0 KHAFHM CCCCc1ccc(CN(CC)S(C)(=O)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000027753743 561883495 /nfs/dbraw/zinc/88/34/95/561883495.db2.gz FNWXOKDQLDSVOD-UHFFFAOYSA-N -1 3 520.659 3.868 1 0 KHAFHM CCCCc1ccc(CN(CC)S(C)(=O)=O)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000027753743 561883493 /nfs/dbraw/zinc/88/34/93/561883493.db2.gz FNWXOKDQLDSVOD-UHFFFAOYSA-N -1 3 520.659 3.868 1 0 KHAFHM CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN1C(=O)[N-]C(=O)[C@@H]1Cc1ccc(-c2ccccc2)cc1 ZINC000027862101 561887092 /nfs/dbraw/zinc/88/70/92/561887092.db2.gz GFSZPUOGGGSOHQ-YRCZKMHPSA-N -1 3 633.749 3.755 1 0 KHAFHM CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OCc1ccccc1)C(C)C)C(=O)c1nc2ccccc2[n-]1 ZINC000027902146 561891043 /nfs/dbraw/zinc/89/10/43/561891043.db2.gz CYJCCCWVTIDEKO-SDHOMARFSA-N -1 3 547.656 3.828 1 0 KHAFHM CCCCS(=O)(=O)Nc1ccc(-c2nnc(=O)n3c(Br)c(Br)[n-]c23)cc1 ZINC000028018914 561898016 /nfs/dbraw/zinc/89/80/16/561898016.db2.gz HYPXYIIHXLUXHX-UHFFFAOYSA-N -1 3 505.192 3.564 1 0 KHAFHM CC[C@@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028021875 561898537 /nfs/dbraw/zinc/89/85/37/561898537.db2.gz BOUNVWLOOBFRKP-VMPREFPWSA-N -1 3 596.684 3.956 1 0 KHAFHM CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028021881 561898547 /nfs/dbraw/zinc/89/85/47/561898547.db2.gz BOUNVWLOOBFRKP-URLMMPGGSA-N -1 3 596.684 3.956 1 0 KHAFHM CCCCCCNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028022417 561898724 /nfs/dbraw/zinc/89/87/24/561898724.db2.gz QGNSGOBIJYABKE-IZZNHLLZSA-N -1 3 562.667 3.903 1 0 KHAFHM CCCCCCNCC(=O)[C@H](CC(=O)[O-])NC(=O)[C@H](CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O ZINC000028022422 561898849 /nfs/dbraw/zinc/89/88/49/561898849.db2.gz QGNSGOBIJYABKE-UIOOFZCWSA-N -1 3 562.667 3.903 1 0 KHAFHM CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc([O-])c(Br)c3)c2C1=O ZINC000028263786 561912509 /nfs/dbraw/zinc/91/25/09/561912509.db2.gz YBNRNXVMEOLRGD-QGZVFWFLSA-N -1 3 510.392 3.671 1 0 KHAFHM NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCC[N-]S(=O)(=O)c2cc3ccc(Cl)cc3s2)cc1 ZINC000028352015 561915694 /nfs/dbraw/zinc/91/56/94/561915694.db2.gz WVNKDHFFLGDHPF-UHFFFAOYSA-N -1 3 550.083 3.577 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028354488 561916083 /nfs/dbraw/zinc/91/60/83/561916083.db2.gz HYSCJPQPEGNNIN-ULOHSEQHSA-N -1 3 584.802 3.978 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)SC)C(C)(C)c1ccc(OC)cc1 ZINC000028360909 561916927 /nfs/dbraw/zinc/91/69/27/561916927.db2.gz NQVAZURCCRHAPU-AEVAFVADSA-N -1 3 535.751 3.701 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028362581 561917049 /nfs/dbraw/zinc/91/70/49/561917049.db2.gz IGUHUXXTFRJJNP-SLGBHXFTSA-N -1 3 570.775 3.588 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(C)c1 ZINC000028362640 561917009 /nfs/dbraw/zinc/91/70/09/561917009.db2.gz ASTKCHMENLBTSZ-VGOPEUBISA-N -1 3 584.802 3.896 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)N1CCC[C@H]1C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1ccccc1 ZINC000028365483 561917598 /nfs/dbraw/zinc/91/75/98/561917598.db2.gz IGUHUXXTFRJJNP-PDFBYWLWSA-N -1 3 570.775 3.588 1 0 KHAFHM COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc([O-])cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028370303 561918182 /nfs/dbraw/zinc/91/81/82/561918182.db2.gz CFQMUIKAPZTTKQ-IBGZPJMESA-N -1 3 576.629 3.942 1 0 KHAFHM COc1ccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc([O-])cc3c(=O)n2N2CCN(C)CC2)c(OC)c1 ZINC000028370309 561918164 /nfs/dbraw/zinc/91/81/64/561918164.db2.gz CFQMUIKAPZTTKQ-LJQANCHMSA-N -1 3 576.629 3.942 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cc(F)cc(F)c1 ZINC000028372613 561918606 /nfs/dbraw/zinc/91/86/06/561918606.db2.gz NAPDXKBIBIDULR-FXTBFKDFSA-N -1 3 509.638 3.875 1 0 KHAFHM COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@@H](C)c2nc3ccc([N-]S(C)(=O)=O)cc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028372662 561918623 /nfs/dbraw/zinc/91/86/23/561918623.db2.gz NALRXQYBBBETRP-FQEVSTJZSA-N -1 3 623.711 3.599 1 0 KHAFHM COc1cccc(N(C(=O)Nc2ccc(F)cc2)[C@H](C)c2nc3ccc([N-]S(C)(=O)=O)cc3c(=O)n2N2CCN(C)CC2)c1 ZINC000028372669 561918675 /nfs/dbraw/zinc/91/86/75/561918675.db2.gz NALRXQYBBBETRP-HXUWFJFHSA-N -1 3 623.711 3.599 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](N)Cc2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC000028384687 561920828 /nfs/dbraw/zinc/92/08/28/561920828.db2.gz UVCVUMMPNBQIJC-GRYUFTJMSA-N -1 3 534.028 3.534 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccc(F)cc2Cl)cc1)C(=O)[O-] ZINC000028384693 561920824 /nfs/dbraw/zinc/92/08/24/561920824.db2.gz UVCVUMMPNBQIJC-JHMXWDHMSA-N -1 3 534.028 3.534 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](N)Cc2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000028384698 561920778 /nfs/dbraw/zinc/92/07/78/561920778.db2.gz LWHJVPXOAZTUPE-GRYUFTJMSA-N -1 3 534.028 3.534 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(Cl)ccc2F)cc1)C(=O)[O-] ZINC000028384699 561920819 /nfs/dbraw/zinc/92/08/19/561920819.db2.gz LWHJVPXOAZTUPE-JHMXWDHMSA-N -1 3 534.028 3.534 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](N)Cc2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000028384702 561920801 /nfs/dbraw/zinc/92/08/01/561920801.db2.gz ADAJAZUUPSIOFM-GRYUFTJMSA-N -1 3 567.580 3.900 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cc(C(F)(F)F)ccc2F)cc1)C(=O)[O-] ZINC000028384706 561920797 /nfs/dbraw/zinc/92/07/97/561920797.db2.gz ADAJAZUUPSIOFM-JHMXWDHMSA-N -1 3 567.580 3.900 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](N)Cc2cccc(OC(F)(F)F)c2)cc1)C(=O)[O-] ZINC000028384708 561920815 /nfs/dbraw/zinc/92/08/15/561920815.db2.gz SWERESYZYBTPMG-GRYUFTJMSA-N -1 3 565.589 3.641 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2cccc(OC(F)(F)F)c2)cc1)C(=O)[O-] ZINC000028384711 561920822 /nfs/dbraw/zinc/92/08/22/561920822.db2.gz SWERESYZYBTPMG-JHMXWDHMSA-N -1 3 565.589 3.641 1 0 KHAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@H](O)CN1CCN(CCO)CC1 ZINC000028385377 561920983 /nfs/dbraw/zinc/92/09/83/561920983.db2.gz BWPCUHINXKFNEZ-QGZVFWFLSA-N -1 3 558.022 3.636 1 0 KHAFHM O=c1[nH]c2ccc(C(F)(F)F)cc2c(-c2cc(Cl)ccc2[O-])c1SC[C@@H](O)CN1CCN(CCO)CC1 ZINC000028385383 561920975 /nfs/dbraw/zinc/92/09/75/561920975.db2.gz BWPCUHINXKFNEZ-KRWDZBQOSA-N -1 3 558.022 3.636 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](N)Cc2ccc(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028386405 561921204 /nfs/dbraw/zinc/92/12/04/561921204.db2.gz UKBYVMAOGQSENV-GRYUFTJMSA-N -1 3 567.580 3.900 1 0 KHAFHM CC(C)[C@@H](Oc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)C[C@H](N)Cc2ccc(C(F)(F)F)cc2F)cc1)C(=O)[O-] ZINC000028386413 561921200 /nfs/dbraw/zinc/92/12/00/561921200.db2.gz UKBYVMAOGQSENV-JHMXWDHMSA-N -1 3 567.580 3.900 1 0 KHAFHM O=C(CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-])N1CCN(CCOCCO)CC1 ZINC000028386888 561921215 /nfs/dbraw/zinc/92/12/15/561921215.db2.gz CIVBTEWGCSNGJT-UHFFFAOYSA-N -1 3 586.032 3.818 1 0 KHAFHM O=C(CSc1c(=O)[nH]c2ccc(C(F)(F)F)cc2c1-c1cc(Cl)ccc1[O-])N1CCN(CCO)CC1 ZINC000028389314 561921933 /nfs/dbraw/zinc/92/19/33/561921933.db2.gz NBDUZABHGHTCOT-UHFFFAOYSA-N -1 3 541.979 3.802 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cccc(C(C)=O)c1 ZINC000028392856 561922593 /nfs/dbraw/zinc/92/25/93/561922593.db2.gz IYDSIAYNMXOHGJ-AULKDKKBSA-N -1 3 515.695 3.800 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N(C)[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)C1=Nc2ccccc2C1 ZINC000028396397 561923145 /nfs/dbraw/zinc/92/31/45/561923145.db2.gz MLFWLGDFVIKJKN-OBSBHZRGSA-N -1 3 512.695 3.974 1 0 KHAFHM Nc1cc2c(=O)c(C(=O)[O-])cn(C3CCN(Cc4ccccc4)CC3)c2cc1N1CCN(c2ccccn2)CC1 ZINC000028463142 561925655 /nfs/dbraw/zinc/92/56/55/561925655.db2.gz PVLFUNJTOWCOOK-UHFFFAOYSA-N -1 3 538.652 3.841 1 0 KHAFHM O=C1O[C@@H](C[N-]C(=S)OCC(F)(F)C(F)F)CN1c1ccc(-n2nnc3ccccc32)c(F)c1 ZINC000028524187 561930687 /nfs/dbraw/zinc/93/06/87/561930687.db2.gz YHAJCDVGLFKVKM-LBPRGKRZSA-N -1 3 501.437 3.676 1 0 KHAFHM CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[n-]c21)[C@@H]1CCN(CC)C1 ZINC000028642423 561943635 /nfs/dbraw/zinc/94/36/35/561943635.db2.gz QGPQKWYMNWOLLI-JOCHJYFZSA-N -1 3 519.646 3.546 1 0 KHAFHM CCN(c1cc(OC)cc2c(=O)cc(C(=O)Nc3ccc(N4CCOCC4)cc3)[n-]c21)[C@H]1CCN(CC)C1 ZINC000028642425 561943647 /nfs/dbraw/zinc/94/36/47/561943647.db2.gz QGPQKWYMNWOLLI-QFIPXVFZSA-N -1 3 519.646 3.546 1 0 KHAFHM Cc1c([O-])ccc2cc(NC(=O)c3cccc(C(=O)Nc4cc5ccc(O)c(C)c5oc4=O)n3)c(=O)oc12 ZINC000028708408 561950409 /nfs/dbraw/zinc/95/04/09/561950409.db2.gz QCLRDLQPBFCSRE-UHFFFAOYSA-N -1 3 513.462 3.827 1 0 KHAFHM CCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000028755043 561955348 /nfs/dbraw/zinc/95/53/48/561955348.db2.gz GIRBOQWXCXMIRR-UHFFFAOYSA-N -1 3 561.650 3.909 1 0 KHAFHM CCc1nc2ccc(C3=NN(CC(=O)N(C)C)C(=O)CC3)cc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000028755043 561955347 /nfs/dbraw/zinc/95/53/47/561955347.db2.gz GIRBOQWXCXMIRR-UHFFFAOYSA-N -1 3 561.650 3.909 1 0 KHAFHM CC[C@@H](C)CNC(=O)[C@@H](N[C@@H](O)[C@@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)COc1ccccc1)CC1CCCCC1)C(C)C ZINC000028764362 561959050 /nfs/dbraw/zinc/95/90/50/561959050.db2.gz HUEINWAWGMRRDW-NGCYCIQESA-N -1 3 589.774 3.666 1 0 KHAFHM CC[C@@H](C)CNC(=O)[C@@H](N[C@H](O)[C@@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)COc1ccccc1)CC1CCCCC1)C(C)C ZINC000028764364 561959067 /nfs/dbraw/zinc/95/90/67/561959067.db2.gz HUEINWAWGMRRDW-XBHDTAGASA-N -1 3 589.774 3.666 1 0 KHAFHM Cc1c(CN(C)C[C@@H](O)c2ccc([O-])cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822559 561967348 /nfs/dbraw/zinc/96/73/48/561967348.db2.gz SPLCCPCFVONMFS-OAQYLSRUSA-N -1 3 527.046 3.758 1 0 KHAFHM Cc1c(CN(C)C[C@H](O)c2ccc([O-])cn2)sc2c1n(C)cc(C(=O)NCc1ccc(Cl)cc1)c2=O ZINC000028822560 561967289 /nfs/dbraw/zinc/96/72/89/561967289.db2.gz SPLCCPCFVONMFS-NRFANRHFSA-N -1 3 527.046 3.758 1 0 KHAFHM Cc1cc(COc2ccc(C(=O)NC[C@@]3(N4CCN(Cc5ccccc5)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892628 561978549 /nfs/dbraw/zinc/97/85/49/561978549.db2.gz MXSTVAAIMVPNIF-UHFFFAOYSA-N -1 3 606.683 3.615 1 0 KHAFHM Cc1cc(COc2ccc(C(=O)NC[C@]3(N4CCN(Cc5ccccc5)CC4)C(=O)[N-]C(=O)NC3=O)cc2)c2ccccc2n1 ZINC000028892628 561978548 /nfs/dbraw/zinc/97/85/48/561978548.db2.gz MXSTVAAIMVPNIF-UHFFFAOYSA-N -1 3 606.683 3.615 1 0 KHAFHM O=C([O-])CN(C(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1)C1CCN(CCc2ccccc2)CC1 ZINC000028895437 561978975 /nfs/dbraw/zinc/97/89/75/561978975.db2.gz ZFMANZHCBXNEEM-NDEPHWFRSA-N -1 3 549.693 3.613 1 0 KHAFHM Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccc(-c3cccc(NC4=NCCN4)c3)cc2)C(=O)[O-])c(C)c1 ZINC000028957956 561983444 /nfs/dbraw/zinc/98/34/44/561983444.db2.gz MHGHYXQIIPLSCN-DEOSSOPVSA-N -1 3 506.628 3.624 1 0 KHAFHM CCOP(=O)(OCC)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c([N-]S(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 ZINC000028957977 561983423 /nfs/dbraw/zinc/98/34/23/561983423.db2.gz IJWRYRBQCVSBIF-YTMVLYRLSA-N -1 3 635.676 3.841 1 0 KHAFHM O=C1[N-]C(=O)C2(CCCN2c2ccc(Oc3ccc(-c4nc5ccc(Cl)cc5[nH]4)cc3)nc2)C(=O)N1 ZINC000028960799 561984136 /nfs/dbraw/zinc/98/41/36/561984136.db2.gz MYWFODDQTUULHX-UHFFFAOYSA-N -1 3 502.918 3.776 1 0 KHAFHM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977518 561987174 /nfs/dbraw/zinc/98/71/74/561987174.db2.gz CMIGCPSMUVIJCI-VJTSUQJLSA-N -1 3 620.675 3.939 1 0 KHAFHM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977523 561987145 /nfs/dbraw/zinc/98/71/45/561987145.db2.gz CMIGCPSMUVIJCI-GPXOXTDOSA-N -1 3 620.675 3.939 1 0 KHAFHM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977529 561987170 /nfs/dbraw/zinc/98/71/70/561987170.db2.gz CMIGCPSMUVIJCI-PZUNEJSGSA-N -1 3 620.675 3.939 1 0 KHAFHM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977535 561987182 /nfs/dbraw/zinc/98/71/82/561987182.db2.gz CMIGCPSMUVIJCI-QLBJFCOMSA-N -1 3 620.675 3.939 1 0 KHAFHM O=C1C[C@@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977545 561987130 /nfs/dbraw/zinc/98/71/30/561987130.db2.gz CMIGCPSMUVIJCI-HVCNVCAESA-N -1 3 620.675 3.939 1 0 KHAFHM O=C1C[C@@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977549 561987109 /nfs/dbraw/zinc/98/71/09/561987109.db2.gz CMIGCPSMUVIJCI-CAOCKLPOSA-N -1 3 620.675 3.939 1 0 KHAFHM O=C1C[C@H](c2ccc(C[C@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977556 561987341 /nfs/dbraw/zinc/98/73/41/561987341.db2.gz CMIGCPSMUVIJCI-ZKMPZPQNSA-N -1 3 620.675 3.939 1 0 KHAFHM O=C1C[C@H](c2ccc(C[C@@H](NS(=O)(=O)c3cccc(C(F)(F)F)c3)C3=NC[C@H](Cc4ccccc4)N3)cc2)S(=O)(=O)[N-]1 ZINC000028977562 561987309 /nfs/dbraw/zinc/98/73/09/561987309.db2.gz CMIGCPSMUVIJCI-ICDZXHCJSA-N -1 3 620.675 3.939 1 0 KHAFHM COC(=O)c1c(O)cccc1OCCCC[C@@H]1CN=C([C@@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977713 561987272 /nfs/dbraw/zinc/98/72/72/561987272.db2.gz DXOWZZFILUHUOJ-FIYSCABWSA-N -1 3 716.810 3.867 1 0 KHAFHM COC(=O)c1c(O)cccc1OCCCC[C@@H]1CN=C([C@H](Cc2ccc([C@@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977720 561987268 /nfs/dbraw/zinc/98/72/68/561987268.db2.gz DXOWZZFILUHUOJ-IXLXJOPFSA-N -1 3 716.810 3.867 1 0 KHAFHM COC(=O)c1c(O)cccc1OCCCC[C@@H]1CN=C([C@@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977726 561987331 /nfs/dbraw/zinc/98/73/31/561987331.db2.gz DXOWZZFILUHUOJ-YRKKDBSBSA-N -1 3 716.810 3.867 1 0 KHAFHM COC(=O)c1c(O)cccc1OCCCC[C@@H]1CN=C([C@H](Cc2ccc([C@H]3CC(=O)[N-]S3(=O)=O)c(C)c2)NS(=O)(=O)c2cccc(F)c2)N1 ZINC000028977733 561987299 /nfs/dbraw/zinc/98/72/99/561987299.db2.gz DXOWZZFILUHUOJ-ZSOKXDGFSA-N -1 3 716.810 3.867 1 0 KHAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979604 561988342 /nfs/dbraw/zinc/98/83/42/561988342.db2.gz DOQDNPCVZCNUQZ-IYPOZPNPSA-N -1 3 538.072 3.563 1 0 KHAFHM CS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979612 561988326 /nfs/dbraw/zinc/98/83/26/561988326.db2.gz UHAXHIIUCATPBX-XSSIKURBSA-N -1 3 553.087 3.531 1 0 KHAFHM CS(=O)(=O)Nc1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979617 561988302 /nfs/dbraw/zinc/98/83/02/561988302.db2.gz UHAXHIIUCATPBX-BPOBUFBUSA-N -1 3 553.087 3.531 1 0 KHAFHM CN(C)C(=O)c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979644 561988239 /nfs/dbraw/zinc/98/82/39/561988239.db2.gz NPLLKOBXORMYRT-CMQXMCPJSA-N -1 3 531.059 3.861 1 0 KHAFHM CN(C)C(=O)c1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1 ZINC000028979649 561988311 /nfs/dbraw/zinc/98/83/11/561988311.db2.gz NPLLKOBXORMYRT-PKHIPVCBSA-N -1 3 531.059 3.861 1 0 KHAFHM CN(c1ccccc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1)S(C)(=O)=O ZINC000028979664 561988235 /nfs/dbraw/zinc/98/82/35/561988235.db2.gz DUNQQPSQOQKYDT-XYDKVEKUSA-N -1 3 567.114 3.555 1 0 KHAFHM CN(c1ccccc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)nc1)S(C)(=O)=O ZINC000028979669 561988322 /nfs/dbraw/zinc/98/83/22/561988322.db2.gz DUNQQPSQOQKYDT-XUDAUXSOSA-N -1 3 567.114 3.555 1 0 KHAFHM CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029042965 561991809 /nfs/dbraw/zinc/99/18/09/561991809.db2.gz WZQQRBMTPWVANU-FFIKLFBPSA-N -1 3 641.835 3.736 1 0 KHAFHM CC[C@H](C)[C@H](NC(=O)[C@H]1CCCCN1)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@H](CCC(=O)[O-])Cc2ccccc2)cs1)C(C)C ZINC000029043041 561991815 /nfs/dbraw/zinc/99/18/15/561991815.db2.gz WZQQRBMTPWVANU-LFDMNKGISA-N -1 3 641.835 3.736 1 0 KHAFHM CCCCn1c(=O)c2ccc(N3CCOCC3)nc2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000029050969 561994411 /nfs/dbraw/zinc/99/44/11/561994411.db2.gz YQYMBDUFJLSKMW-UHFFFAOYSA-N -1 3 510.602 3.730 1 0 KHAFHM CCCCn1c(=O)c2ccc(N3CCOCC3)nc2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000029050969 561994410 /nfs/dbraw/zinc/99/44/10/561994410.db2.gz YQYMBDUFJLSKMW-UHFFFAOYSA-N -1 3 510.602 3.730 1 0 KHAFHM COc1ccc(C=Cc2cn(CCC(C)C)c(=O)c(C3=NS(=O)(=O)c4cc(NS(C)(=O)=O)ccc4[N-]3)c2O)cc1 ZINC000029052642 561994615 /nfs/dbraw/zinc/99/46/15/561994615.db2.gz RDFLKLRNQDOJTM-VMPITWQZSA-N -1 3 586.692 3.712 1 0 KHAFHM CC(C)CCn1cc(/C=C/C(C)(C)C)c(O)c(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)c1=O ZINC000029053090 561994745 /nfs/dbraw/zinc/99/47/45/561994745.db2.gz VNJZFGKTSGTNJO-PKNBQFBNSA-N -1 3 536.676 3.592 1 0 KHAFHM COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4n[nH]c(=O)[n-]4)c3=O)CC2)C(C)C)c1 ZINC000029062353 561996040 /nfs/dbraw/zinc/99/60/40/561996040.db2.gz ZSBHXKLQJNQJOJ-VWLOTQADSA-N -1 3 534.661 3.710 1 0 KHAFHM COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4n[nH]c(=O)[n-]4)c3=O)CC2)C(C)C)c1 ZINC000029062359 561996021 /nfs/dbraw/zinc/99/60/21/561996021.db2.gz ZSBHXKLQJNQJOJ-RUZDIDTESA-N -1 3 534.661 3.710 1 0 KHAFHM COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4nn[n-]n4)c3=O)CC2)C(C)C)c1 ZINC000029062572 561996031 /nfs/dbraw/zinc/99/60/31/561996031.db2.gz UWNSOTJULHQSPQ-VWLOTQADSA-N -1 3 519.650 3.812 1 0 KHAFHM COc1ccc(C)c(O[C@@H](CCN2CCC(n3c4ccccc4n(Cc4nnn[n-]4)c3=O)CC2)C(C)C)c1 ZINC000029062572 561996030 /nfs/dbraw/zinc/99/60/30/561996030.db2.gz UWNSOTJULHQSPQ-VWLOTQADSA-N -1 3 519.650 3.812 1 0 KHAFHM COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4nn[n-]n4)c3=O)CC2)C(C)C)c1 ZINC000029062578 561996037 /nfs/dbraw/zinc/99/60/37/561996037.db2.gz UWNSOTJULHQSPQ-RUZDIDTESA-N -1 3 519.650 3.812 1 0 KHAFHM COc1ccc(C)c(O[C@H](CCN2CCC(n3c4ccccc4n(Cc4nnn[n-]4)c3=O)CC2)C(C)C)c1 ZINC000029062578 561996036 /nfs/dbraw/zinc/99/60/36/561996036.db2.gz UWNSOTJULHQSPQ-RUZDIDTESA-N -1 3 519.650 3.812 1 0 KHAFHM O=C1NC(=O)[C@H](Cc2cc(I)c(Oc3ccc([O-])c(Br)c3)c(I)c2)N1 ZINC000029124563 561997088 /nfs/dbraw/zinc/99/70/88/561997088.db2.gz LGLKAFDDFXJFCK-LBPRGKRZSA-N -1 3 628.986 3.907 1 0 KHAFHM O=C1NC(=O)[C@@H](Cc2cc(I)c(Oc3ccc([O-])c(Br)c3)c(I)c2)N1 ZINC000029124565 561997116 /nfs/dbraw/zinc/99/71/16/561997116.db2.gz LGLKAFDDFXJFCK-GFCCVEGCSA-N -1 3 628.986 3.907 1 0 KHAFHM O=C1NC(=O)[C@H](Cc2cc(I)c(Oc3ccc([O-])c(I)c3)c(I)c2)N1 ZINC000029124569 561997083 /nfs/dbraw/zinc/99/70/83/561997083.db2.gz DEVXXWJEVQSWHC-LBPRGKRZSA-N -1 3 675.986 3.749 1 0 KHAFHM O=C1NC(=O)[C@@H](Cc2cc(I)c(Oc3ccc([O-])c(I)c3)c(I)c2)N1 ZINC000029124571 561997112 /nfs/dbraw/zinc/99/71/12/561997112.db2.gz DEVXXWJEVQSWHC-GFCCVEGCSA-N -1 3 675.986 3.749 1 0 KHAFHM O=c1ccccn1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc4ccc(Cl)nc4s3)C2=O)cc1 ZINC000029125545 561997690 /nfs/dbraw/zinc/99/76/90/561997690.db2.gz XEOZTCMTXQCNRS-GOSISDBHSA-N -1 3 515.016 3.575 1 0 KHAFHM O=c1ccccn1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc4ccc(Cl)nc4s3)C2=O)cc1 ZINC000029125546 561997715 /nfs/dbraw/zinc/99/77/15/561997715.db2.gz XEOZTCMTXQCNRS-SFHVURJKSA-N -1 3 515.016 3.575 1 0 KHAFHM O=c1ccccn1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3cc4ccc(Cl)nc4s3)C2=O)c(F)c1 ZINC000029125727 561997900 /nfs/dbraw/zinc/99/79/00/561997900.db2.gz RNDGHCNVRQCTJM-QGZVFWFLSA-N -1 3 533.006 3.714 1 0 KHAFHM O=c1ccccn1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3cc4ccc(Cl)nc4s3)C2=O)c(F)c1 ZINC000029125728 561997918 /nfs/dbraw/zinc/99/79/18/561997918.db2.gz RNDGHCNVRQCTJM-KRWDZBQOSA-N -1 3 533.006 3.714 1 0 KHAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)Cc3ccccc3)C2=O)c(F)c1 ZINC000029125732 561997938 /nfs/dbraw/zinc/99/79/38/561997938.db2.gz FMOHEERAECPKIG-JOCHJYFZSA-N -1 3 516.616 3.511 1 0 KHAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)Cc3ccccc3)C2=O)c(F)c1 ZINC000029125733 561997974 /nfs/dbraw/zinc/99/79/74/561997974.db2.gz FMOHEERAECPKIG-QFIPXVFZSA-N -1 3 516.616 3.511 1 0 KHAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3)C2=O)c(F)c1 ZINC000029125893 561998220 /nfs/dbraw/zinc/99/82/20/561998220.db2.gz CSMAVHWEKRXHDF-OAQYLSRUSA-N -1 3 538.569 3.648 1 0 KHAFHM CS(=O)(=O)c1ccccc1-c1ccc(N2CCC[C@H]([N-]S(=O)(=O)c3ccc(F)c(F)c3)C2=O)c(F)c1 ZINC000029125894 561998185 /nfs/dbraw/zinc/99/81/85/561998185.db2.gz CSMAVHWEKRXHDF-NRFANRHFSA-N -1 3 538.569 3.648 1 0 KHAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)c(OCCCN4CCOCC4)cc3n(CCO)c1cc2-c1ccccc1Cl ZINC000029127029 561999391 /nfs/dbraw/zinc/99/93/91/561999391.db2.gz VSGRXSHIXKUPPN-UHFFFAOYSA-N -1 3 550.011 3.798 1 0 KHAFHM CN(C)Cc1nocc1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029130324 562002568 /nfs/dbraw/zinc/00/25/68/562002568.db2.gz HKCAMAZWXYAKKV-XSFOEPMVSA-N -1 3 525.027 3.953 1 0 KHAFHM CN(C)Cc1nocc1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029130326 562002599 /nfs/dbraw/zinc/00/25/99/562002599.db2.gz HKCAMAZWXYAKKV-LNENJAERSA-N -1 3 525.027 3.953 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@@H]1CCN(c2ccc(-n3cncc3CN(C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130405 562002581 /nfs/dbraw/zinc/00/25/81/562002581.db2.gz LQSDVSLUDFUDNW-OCKXMSAZSA-N -1 3 538.070 3.874 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@H]1CCN(c2ccc(-n3cncc3CN(C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130407 562002551 /nfs/dbraw/zinc/00/25/51/562002551.db2.gz LQSDVSLUDFUDNW-LLLGYDHXSA-N -1 3 538.070 3.874 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@@H]1CCN(c2ccc(-n3ccnc3CN(C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130853 562002908 /nfs/dbraw/zinc/00/29/08/562002908.db2.gz CEBGXJOHASCKOD-LGHUBQEGSA-N -1 3 538.070 3.874 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@H]1CCN(c2ccc(-n3ccnc3CN(C)C)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029130855 562002818 /nfs/dbraw/zinc/00/28/18/562002818.db2.gz CEBGXJOHASCKOD-JJJPLKNQSA-N -1 3 538.070 3.874 1 0 KHAFHM O=C1[C@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CC[C@@H](F)C2)cc1F ZINC000029131258 562003048 /nfs/dbraw/zinc/00/30/48/562003048.db2.gz RQKARFSPMLRNIR-CXZYJVGSSA-N -1 3 568.071 3.966 1 0 KHAFHM O=C1[C@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CC[C@H](F)C2)cc1F ZINC000029131260 562003035 /nfs/dbraw/zinc/00/30/35/562003035.db2.gz RQKARFSPMLRNIR-DTMNJCDCSA-N -1 3 568.071 3.966 1 0 KHAFHM CCN(C)Cc1nccn1-c1ccc(N2CC[C@@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131337 562003005 /nfs/dbraw/zinc/00/30/05/562003005.db2.gz CFGCYVFPNYGQNE-XWGMLZDCSA-N -1 3 538.070 3.874 1 0 KHAFHM CCN(C)Cc1nccn1-c1ccc(N2CC[C@H]([N-]S(=O)(=O)/C=C/c3ccc(Cl)s3)C2=O)c(F)c1 ZINC000029131339 562003054 /nfs/dbraw/zinc/00/30/54/562003054.db2.gz CFGCYVFPNYGQNE-CWIMXHLESA-N -1 3 538.070 3.874 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@@H]1CCN(c2ccc(-n3ccc(CN(C)C)n3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131413 562003009 /nfs/dbraw/zinc/00/30/09/562003009.db2.gz XIEFVSBVWJJLKU-JUWJPQTCSA-N -1 3 538.070 3.874 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@H]1CCN(c2ccc(-n3ccc(CN(C)C)n3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131415 562003028 /nfs/dbraw/zinc/00/30/28/562003028.db2.gz XIEFVSBVWJJLKU-IQGVVSCOSA-N -1 3 538.070 3.874 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@@H]1CCN(c2ccc(-n3cnc(CN(C)C)c3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131598 562003188 /nfs/dbraw/zinc/00/31/88/562003188.db2.gz ZJYXWKWXWRLPNP-OCKXMSAZSA-N -1 3 538.070 3.874 1 0 KHAFHM C/C(=C\S(=O)(=O)[N-][C@H]1CCN(c2ccc(-n3cnc(CN(C)C)c3)cc2F)C1=O)c1ccc(Cl)s1 ZINC000029131600 562003226 /nfs/dbraw/zinc/00/32/26/562003226.db2.gz ZJYXWKWXWRLPNP-LLLGYDHXSA-N -1 3 538.070 3.874 1 0 KHAFHM O=C([O-])CN(CCCS(=O)(=O)c1ccc2cc(Cl)ccc2c1)C(=O)C1CCN(c2ccncc2)CC1 ZINC000029132241 562003302 /nfs/dbraw/zinc/00/33/02/562003302.db2.gz OVHSATJSRAHIPN-UHFFFAOYSA-N -1 3 530.046 3.882 1 0 KHAFHM CC[C@@H](C)[C@H](NC(=O)[C@H]1CCCCN1)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000029134885 562004413 /nfs/dbraw/zinc/00/44/13/562004413.db2.gz JGRNSQKNRWARSF-JSWHUDERSA-N -1 3 655.862 3.982 1 0 KHAFHM CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1)C(C)C ZINC000029134888 562004318 /nfs/dbraw/zinc/00/43/18/562004318.db2.gz JGRNSQKNRWARSF-CDFBFQSBSA-N -1 3 655.862 3.982 1 0 KHAFHM CS(=O)(=O)[N-][C@H](c1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029223980 562007719 /nfs/dbraw/zinc/00/77/19/562007719.db2.gz RZSMMDOVVPJVHW-VMPREFPWSA-N -1 3 666.757 3.576 1 0 KHAFHM CS(=O)(=O)[N-][C@@H](c1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(CC[NH2+]C[C@H](O)c4cccnc4)cc3)cc2)no1)c1ccc(F)cc1 ZINC000029223985 562007735 /nfs/dbraw/zinc/00/77/35/562007735.db2.gz RZSMMDOVVPJVHW-URLMMPGGSA-N -1 3 666.757 3.576 1 0 KHAFHM O=C(CN1c2ccccc2C(c2ccccc2F)=N[C@@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029239588 562010005 /nfs/dbraw/zinc/01/00/05/562010005.db2.gz AGMNHLBQRZHCJL-RNNXAFDXSA-N -1 3 621.677 3.986 1 0 KHAFHM O=C(CN1c2ccccc2C(c2ccccc2F)=N[C@@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029239588 562010003 /nfs/dbraw/zinc/01/00/03/562010003.db2.gz AGMNHLBQRZHCJL-RNNXAFDXSA-N -1 3 621.677 3.986 1 0 KHAFHM O=C(CN1c2ccccc2C(c2ccccc2F)=N[C@H](NC(=O)Nc2cccc(-c3nn[n-]n3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029239597 562009970 /nfs/dbraw/zinc/00/99/70/562009970.db2.gz AGMNHLBQRZHCJL-IRJFJMQCSA-N -1 3 621.677 3.986 1 0 KHAFHM O=C(CN1c2ccccc2C(c2ccccc2F)=N[C@H](NC(=O)Nc2cccc(-c3nnn[n-]3)c2)C1=O)N1CC2CCC(CC2)C1 ZINC000029239597 562009968 /nfs/dbraw/zinc/00/99/68/562009968.db2.gz AGMNHLBQRZHCJL-IRJFJMQCSA-N -1 3 621.677 3.986 1 0 KHAFHM COc1ccc(-c2cc3c(cc2OC)CN(C(=O)[C@@H](N)Cc2c(C)cc(O)cc2C)[C@H](C(=O)[O-])C3)cc1 ZINC000029416441 562023007 /nfs/dbraw/zinc/02/30/07/562023007.db2.gz OJPCPUPFXXXFDC-UIOOFZCWSA-N -1 3 504.583 3.601 1 0 KHAFHM COc1ccc(-c2cc3c(cc2OC)CN(C(=O)[C@H](N)Cc2c(C)cc(O)cc2C)[C@H](C(=O)[O-])C3)cc1 ZINC000029416444 562023018 /nfs/dbraw/zinc/02/30/18/562023018.db2.gz OJPCPUPFXXXFDC-FTJBHMTQSA-N -1 3 504.583 3.601 1 0 KHAFHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@@](=O)c1ccc2ccccc2c1)[N-]S(C)(=O)=O ZINC000029467824 562024903 /nfs/dbraw/zinc/02/49/03/562024903.db2.gz HSGWMHCBWWNMPP-HLTGYJCXSA-N -1 3 724.990 3.749 1 0 KHAFHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](C[S@](=O)c1ccc2ccccc2c1)[N-]S(C)(=O)=O ZINC000029467827 562024827 /nfs/dbraw/zinc/02/48/27/562024827.db2.gz HSGWMHCBWWNMPP-NJQBBZKJSA-N -1 3 724.990 3.749 1 0 KHAFHM CCCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ncnc2c1nc([S@@](C)=O)n2C ZINC000029470433 562025433 /nfs/dbraw/zinc/02/54/33/562025433.db2.gz POMRKIYLMQTFLO-BHVANESWSA-N -1 3 501.620 3.755 1 0 KHAFHM CCCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ncnc2c1nc([S@@](C)=O)n2C ZINC000029470433 562025431 /nfs/dbraw/zinc/02/54/31/562025431.db2.gz POMRKIYLMQTFLO-BHVANESWSA-N -1 3 501.620 3.755 1 0 KHAFHM CCCCN(Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)c1ncnc2c1nc([S@](C)=O)n2C ZINC000029470437 562025382 /nfs/dbraw/zinc/02/53/82/562025382.db2.gz POMRKIYLMQTFLO-PSXMRANNSA-N -1 3 501.620 3.755 1 0 KHAFHM CCCCN(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)c1ncnc2c1nc([S@](C)=O)n2C ZINC000029470437 562025381 /nfs/dbraw/zinc/02/53/81/562025381.db2.gz POMRKIYLMQTFLO-PSXMRANNSA-N -1 3 501.620 3.755 1 0 KHAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nn[n-]n3)c1)C[C@@H]2C(C)C ZINC000029568923 562035088 /nfs/dbraw/zinc/03/50/88/562035088.db2.gz AGBJVABYWAWOKN-FGZHOGPDSA-N -1 3 532.649 3.756 1 0 KHAFHM Cc1ccc2c(c1)N(CC(=O)NC(C)(C)C)C(=O)[C@H](NC(=O)Nc1cccc(-c3nnn[n-]3)c1)C[C@@H]2C(C)C ZINC000029568923 562035086 /nfs/dbraw/zinc/03/50/86/562035086.db2.gz AGBJVABYWAWOKN-FGZHOGPDSA-N -1 3 532.649 3.756 1 0 KHAFHM Cc1cc(-c2c([O-])cccc2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 ZINC000034608695 562039250 /nfs/dbraw/zinc/03/92/50/562039250.db2.gz KFDJNCCNWVEQKZ-UHFFFAOYSA-N -1 3 522.606 3.963 1 0 KHAFHM CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(CCc4ccccc4)c(O)cc3[O-])CC2)cc1 ZINC000034717855 562040008 /nfs/dbraw/zinc/04/00/08/562040008.db2.gz YBGGSTRJIWHNQM-UHFFFAOYSA-N -1 3 532.666 3.999 1 0 KHAFHM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1OC ZINC000034947250 562044087 /nfs/dbraw/zinc/04/40/87/562044087.db2.gz KCPZTHQHJHVUCK-HSZRJFAPSA-N -1 3 503.555 3.548 1 0 KHAFHM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C(=O)Nc3ccc4c(c3)CNCC4)c2)cc1OC ZINC000034947252 562044113 /nfs/dbraw/zinc/04/41/13/562044113.db2.gz KCPZTHQHJHVUCK-QHCPKHFHSA-N -1 3 503.555 3.548 1 0 KHAFHM Cc1cc(-c2cccc([O-])c2F)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 ZINC000035803165 562045354 /nfs/dbraw/zinc/04/53/54/562045354.db2.gz PFHBGGIVIPCMIS-UHFFFAOYSA-N -1 3 522.606 3.963 1 0 KHAFHM CNc1ccc([C@H]([N-]S(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 ZINC000036093427 562047164 /nfs/dbraw/zinc/04/71/64/562047164.db2.gz KRSBRUPKOKPQSB-WNJJXGMVSA-N -1 3 583.730 3.757 1 0 KHAFHM O=C([C@@H]([N-]S(=O)(=O)c1cnccc1N[C@H](CO)Cc1ccccc1)c1ccccc1)N1CCC(CCF)CC1 ZINC000036093434 562047212 /nfs/dbraw/zinc/04/72/12/562047212.db2.gz QPLYZOISWZLLNE-LSYYVWMOSA-N -1 3 554.688 3.715 1 0 KHAFHM COc1ccc([C@H]([N-]S(=O)(=O)c2cnccc2N[C@H](CO)Cc2ccccc2)C(=O)N2CCC(CCF)CC2)cc1 ZINC000036093442 562047187 /nfs/dbraw/zinc/04/71/87/562047187.db2.gz IYCWBOGOBBQXNV-SVEHJYQDSA-N -1 3 584.714 3.724 1 0 KHAFHM O=C1[C@@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CC[C@H](F)C2)cc1F ZINC000036140773 562047998 /nfs/dbraw/zinc/04/79/98/562047998.db2.gz RQKARFSPMLRNIR-DVLHMIJYSA-N -1 3 568.071 3.966 1 0 KHAFHM O=C1[C@@H]([N-]S(=O)(=O)/C=C/c2ccc(Cl)s2)CCN1c1ccc(-n2ccnc2CN2CC[C@@H](F)C2)cc1F ZINC000036140777 562048120 /nfs/dbraw/zinc/04/81/20/562048120.db2.gz RQKARFSPMLRNIR-DCOXSSOYSA-N -1 3 568.071 3.966 1 0 KHAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CC[S@](=O)c3nc[nH]n3)c1cc2-c1ccccc1Cl ZINC000038804797 562072289 /nfs/dbraw/zinc/07/22/89/562072289.db2.gz GSNPQUVDCLTJCW-PGUFJCEWSA-N -1 3 505.943 3.630 1 0 KHAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CC[S@@](=O)c3nc[nH]n3)c1cc2-c1ccccc1Cl ZINC000038807083 562072455 /nfs/dbraw/zinc/07/24/55/562072455.db2.gz GSNPQUVDCLTJCW-DHUJRADRSA-N -1 3 505.943 3.630 1 0 KHAFHM CCCC1=C([O-])N([C@@H](CCC(=O)OC)Sc2ccc(NC(=O)OC(C)(C)C)cc2)S(=O)(=O)N1C ZINC000040394680 562074200 /nfs/dbraw/zinc/07/42/00/562074200.db2.gz DKACYBIBCLMSCF-ZWKOTPCHSA-N -1 3 515.654 3.593 1 0 KHAFHM CCCC1=C([O-])N([C@H](CCC(=O)OC)Sc2ccc(NC(=O)OC(C)(C)C)cc2)S(=O)(=O)N1C ZINC000040394681 562074191 /nfs/dbraw/zinc/07/41/91/562074191.db2.gz DKACYBIBCLMSCF-ROUUACIJSA-N -1 3 515.654 3.593 1 0 KHAFHM COc1ccccc1[N-]c1nnc(-c2cc(C(F)(F)F)nn2-c2cccc(CNC(=O)[C@H](C)N)c2)o1 ZINC000040395822 562074574 /nfs/dbraw/zinc/07/45/74/562074574.db2.gz JHJFTIQINCAVTE-ZDUSSCGKSA-N -1 3 501.469 3.657 1 0 KHAFHM CCCc1nc(Br)c(S(C)(=O)=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000040423414 562076168 /nfs/dbraw/zinc/07/61/68/562076168.db2.gz BLKOPOUGHBDPCW-UHFFFAOYSA-N -1 3 501.410 3.897 1 0 KHAFHM CCCc1nc(Br)c(S(C)(=O)=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000040423414 562076166 /nfs/dbraw/zinc/07/61/66/562076166.db2.gz BLKOPOUGHBDPCW-UHFFFAOYSA-N -1 3 501.410 3.897 1 0 KHAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CC[S@@](=O)n3ccnn3)c1cc2-c1ccccc1Cl ZINC000040424075 562076308 /nfs/dbraw/zinc/07/63/08/562076308.db2.gz DPCLAHZXWRSPGR-DHUJRADRSA-N -1 3 505.943 3.508 1 0 KHAFHM O=C1[N-]C(=O)c2c1c1c3cc(O)ccc3n(CC[S@](=O)n3ccnn3)c1cc2-c1ccccc1Cl ZINC000040424076 562076268 /nfs/dbraw/zinc/07/62/68/562076268.db2.gz DPCLAHZXWRSPGR-PGUFJCEWSA-N -1 3 505.943 3.508 1 0 KHAFHM CN[C@H](C(=O)N[C@H](C(=O)N[C@H](/C=C(\C)C(=O)[O-])C(C)C)C(C)(C)C)C(C)(C)c1cn(C)c2ccccc12 ZINC000040836583 562080133 /nfs/dbraw/zinc/08/01/33/562080133.db2.gz JLYLQHCWGVAPCS-OBSBHZRGSA-N -1 3 512.695 3.747 1 0 KHAFHM NC(=O)c1cc(S(=O)(=O)[N-]c2nc3ccccc3c(=O)[nH]2)c(SCc2ccccc2)cc1Cl ZINC000040893019 562082940 /nfs/dbraw/zinc/08/29/40/562082940.db2.gz XZHUYCOGLMLKBW-UHFFFAOYSA-N -1 3 500.989 3.769 1 0 KHAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[N-]C(=O)c1cccc2ccccc21 ZINC000042807171 562090063 /nfs/dbraw/zinc/09/00/63/562090063.db2.gz RTSPBNBHESYTTF-XTEPFMGCSA-N -1 3 520.589 3.581 1 0 KHAFHM CC(C)CCc1c2ccccc2c([O-])c2c1OCN1c3ccc(NS(C)(=O)=O)cc3S(=O)(=O)N=C21 ZINC000043067645 562645415 /nfs/dbraw/zinc/64/54/15/562645415.db2.gz YLRSUZKAZLYVHW-UHFFFAOYSA-N -1 3 515.613 3.811 1 0 KHAFHM CC[C@H](C(=O)[O-])c1ccc2c(c1)N(CCCN1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1S2 ZINC000043073529 562645613 /nfs/dbraw/zinc/64/56/13/562645613.db2.gz MKKJPIHSAMRGEO-QFIPXVFZSA-N -1 3 563.724 3.867 1 0 KHAFHM CC[C@@H](C(=O)[O-])c1ccc2c(c1)N(CCCN1CCCN(c3cc(=O)n(C)c(=O)n3C)CC1)c1ccccc1S2 ZINC000043073532 562645602 /nfs/dbraw/zinc/64/56/02/562645602.db2.gz MKKJPIHSAMRGEO-JOCHJYFZSA-N -1 3 563.724 3.867 1 0 KHAFHM Cn1c(=O)cc(N2CCCN(CCCN3c4ccccc4Sc4ccc(C(C)(C)C(=O)[O-])cc43)CC2)n(C)c1=O ZINC000043078706 562645798 /nfs/dbraw/zinc/64/57/98/562645798.db2.gz WEFSNJOGTPXLGH-UHFFFAOYSA-N -1 3 563.724 3.651 1 0 KHAFHM CN(C)c1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cc(S(=O)(=O)c4ccccc4)ccc3C(F)(F)F)CC2)cn1 ZINC000043133560 562646341 /nfs/dbraw/zinc/64/63/41/562646341.db2.gz XFTABBDNRWFISL-UHFFFAOYSA-N -1 3 596.653 3.582 1 0 KHAFHM [O-]c1cncc(-c2nc3c(ncn3C3CCN(Cc4ccc(Cl)cc4)CC3)c(N3CCOCC3)n2)c1 ZINC000043204095 562647019 /nfs/dbraw/zinc/64/70/19/562647019.db2.gz GSFVUGVRHJRWKP-UHFFFAOYSA-N -1 3 506.010 3.921 1 0 KHAFHM CC(=O)NC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)C1=O ZINC000043641135 562650534 /nfs/dbraw/zinc/65/05/34/562650534.db2.gz LZWXHFJEBBDGAJ-AREMUKBSSA-N -1 3 551.651 3.803 1 0 KHAFHM CC(=O)NC(C)(C)CC(=O)N[C@@H]1CCc2ccccc2N(Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)C1=O ZINC000043641135 562650533 /nfs/dbraw/zinc/65/05/33/562650533.db2.gz LZWXHFJEBBDGAJ-AREMUKBSSA-N -1 3 551.651 3.803 1 0 KHAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)NCCN4CCOCC4)c3Cl)c2n1 ZINC000044053114 562651934 /nfs/dbraw/zinc/65/19/34/562651934.db2.gz WDKHVWLDUSHCTB-UHFFFAOYSA-N -1 3 595.549 3.934 1 0 KHAFHM Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)[N-]C(C)(C)C(=O)N4CCNCC4)c3Cl)c2n1 ZINC000044280174 562652785 /nfs/dbraw/zinc/65/27/85/562652785.db2.gz QAWTWBREVZHCMM-UHFFFAOYSA-N -1 3 551.496 3.918 1 0 KHAFHM CC(C)(C)C(=O)N1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000044281287 562653019 /nfs/dbraw/zinc/65/30/19/562653019.db2.gz JFLCMQLJIGPPDH-QHCPKHFHSA-N -1 3 629.723 3.845 1 0 KHAFHM CCN1CCC[C@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)[N-]OC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1 ZINC000044305832 562653563 /nfs/dbraw/zinc/65/35/63/562653563.db2.gz KPZAOAOHROLHAD-WJOKGBTCSA-N -1 3 554.651 3.608 1 0 KHAFHM CCN1CCC[C@@](O)(c2cccc(Nc3ncc4c(=O)c(C(=O)[N-]OC)cn(-c5ccc6c(c5)CCC6)c4n3)c2)C1 ZINC000044305835 562653590 /nfs/dbraw/zinc/65/35/90/562653590.db2.gz KPZAOAOHROLHAD-HKBQPEDESA-N -1 3 554.651 3.608 1 0 KHAFHM CC[C@@H](C)[C@H](NC(=O)c1cc(Cc2ccc(O)cc2)cc(NC(=O)[C@@H](N)C(C)C)c1)C(=O)NCc1ccccc1CC(=O)[O-] ZINC000044306596 562653823 /nfs/dbraw/zinc/65/38/23/562653823.db2.gz QYODAZQUNPNFRP-VHOLSGDPSA-N -1 3 602.732 3.993 1 0 KHAFHM CCCC[C@H](N)C(=O)Nc1cc(Cc2ccc(O)cc2)cc(C(=O)N2CCC[C@H]2C(=O)NCc2ccccc2CC(=O)[O-])c1 ZINC000044351875 562654922 /nfs/dbraw/zinc/65/49/22/562654922.db2.gz WHIURHWGVIUMOD-KYJUHHDHSA-N -1 3 600.716 3.987 1 0 KHAFHM COc1cccc(-c2cn(Cc3c(F)cccc3S(C)(=O)=O)c(=O)n(C[C@H](NCCCC(=O)[O-])c3ccccc3)c2=O)c1F ZINC000044352107 562654998 /nfs/dbraw/zinc/65/49/98/562654998.db2.gz JELUMXNSIYVRCU-VWLOTQADSA-N -1 3 627.666 3.611 1 0 KHAFHM CC[C@@H](C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000044361201 562655718 /nfs/dbraw/zinc/65/57/18/562655718.db2.gz AOYQNSAQRCGHJH-AOLGGSBGSA-N -1 3 540.682 3.840 1 0 KHAFHM CCCCCN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)c1cccc([O-])c1)S(=O)(=O)c1ccc(OC)cc1 ZINC000044386396 562655910 /nfs/dbraw/zinc/65/59/10/562655910.db2.gz XBIGEWVREAYQBP-WUFINQPMSA-N -1 3 540.682 3.984 1 0 KHAFHM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(c4cccc(Cl)c4)CC3)ccc1OCC)[n-]c2=O ZINC000044404827 562656510 /nfs/dbraw/zinc/65/65/10/562656510.db2.gz DIVIXKVYEIPDME-UHFFFAOYSA-N -1 3 571.103 3.839 1 0 KHAFHM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)N3CCN(c4ccc(Cl)cc4)CC3)ccc1OCC)[n-]c2=O ZINC000044404839 562656566 /nfs/dbraw/zinc/65/65/66/562656566.db2.gz CZMZPQRUIMXCKY-UHFFFAOYSA-N -1 3 571.103 3.839 1 0 KHAFHM CCCC1=C([O-])N([C@@H](CCC(=O)OC)Sc2ccc(NC(=O)NCCc3ccccc3)cc2)S(=O)(=O)N1C ZINC000044416819 562656964 /nfs/dbraw/zinc/65/69/64/562656964.db2.gz UAHMZGCHVQATGI-XZOQPEGZSA-N -1 3 562.714 3.610 1 0 KHAFHM CCCC1=C([O-])N([C@H](CCC(=O)OC)Sc2ccc(NC(=O)NCCc3ccccc3)cc2)S(=O)(=O)N1C ZINC000044416823 562656946 /nfs/dbraw/zinc/65/69/46/562656946.db2.gz UAHMZGCHVQATGI-GOTSBHOMSA-N -1 3 562.714 3.610 1 0 KHAFHM CC[C@@H]1OCC(=O)[C@H]1NC(=O)[C@H](CC1(C)CCCC1)NC(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000044418749 562657319 /nfs/dbraw/zinc/65/73/19/562657319.db2.gz GMZOWRNWXUOCCS-AYRHNUGRSA-N -1 3 555.697 3.560 1 0 KHAFHM O=C(CCn1c2ccc(O)cc2c2c1cc(-c1ccccc1Cl)c1c2C(=O)[N-]C1=O)N1CCOCC1 ZINC000045484922 562662597 /nfs/dbraw/zinc/66/25/97/562662597.db2.gz QURNXQBMNGUUHO-UHFFFAOYSA-N -1 3 503.942 3.953 1 0 KHAFHM CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)c1cccc(OC)c1)C(=O)Nc1nccs1)N([O-])C=O ZINC000048307292 562662873 /nfs/dbraw/zinc/66/28/73/562662873.db2.gz BBZLVKPIBOFRDX-SGNDLWITSA-N -1 3 575.732 3.854 1 0 KHAFHM COc1cc2nc(N3CCC(CNC(=O)c4ccc(-c5ccc(C(=O)N(C)C)cc5[O-])cc4)CC3)nc(N)c2cc1OC ZINC000048308922 562663179 /nfs/dbraw/zinc/66/31/79/562663179.db2.gz PPRULNXMBUNPFO-UHFFFAOYSA-N -1 3 584.677 3.950 1 0 KHAFHM Cc1cc(COc2ccc3c(c2)CN(C[C@@]2(c4ccc(F)cc4)NC(=O)[N-]C2=O)C3=O)c2ccccc2n1 ZINC000049035023 562663513 /nfs/dbraw/zinc/66/35/13/562663513.db2.gz CXUFMSGHQOMBDY-LJAQVGFWSA-N -1 3 510.525 3.952 1 0 KHAFHM Cc1cc(COc2ccc3c(c2)CN(C[C@]2(c4ccc(F)cc4)NC(=O)[N-]C2=O)C3=O)c2ccccc2n1 ZINC000049035025 562663533 /nfs/dbraw/zinc/66/35/33/562663533.db2.gz CXUFMSGHQOMBDY-GDLZYMKVSA-N -1 3 510.525 3.952 1 0 KHAFHM CC(C)(C)c1nc(CCN(Cc2ccc(-c3nn[n-]n3)cc2)S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000049089982 562664481 /nfs/dbraw/zinc/66/44/81/562664481.db2.gz YJECYSDSZACOLI-UHFFFAOYSA-N -1 3 502.000 3.634 1 0 KHAFHM CC(C)(C)c1nc(CCN(Cc2ccc(-c3nnn[n-]3)cc2)S(=O)(=O)c2ccc(Cl)cc2)no1 ZINC000049089982 562664480 /nfs/dbraw/zinc/66/44/80/562664480.db2.gz YJECYSDSZACOLI-UHFFFAOYSA-N -1 3 502.000 3.634 1 0 KHAFHM CC(C)C[C@@H](C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1nccs1)[C@H](C)N([O-])C=O ZINC000049626077 562667033 /nfs/dbraw/zinc/66/70/33/562667033.db2.gz UXPAJKSRSGNFPQ-NNWRFLSQSA-N -1 3 547.678 3.562 1 0 KHAFHM C[C@]1(c2ccccc2)CN(Cc2ccc(F)cc2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000049670121 562668223 /nfs/dbraw/zinc/66/82/23/562668223.db2.gz LQDKFQQEGHPRQY-HHHXNRCGSA-N -1 3 584.651 3.522 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H](Cc3ccc(F)cc3)CN(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000049679010 562668753 /nfs/dbraw/zinc/66/87/53/562668753.db2.gz FCQWMQYHLOIMFU-SFHVURJKSA-N -1 3 602.641 3.562 1 0 KHAFHM C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCC(=O)O[C@H]1C[C@H](n2cc(I)c(=O)[n-]c2=O)O[C@@H]1CO ZINC000049679141 562668770 /nfs/dbraw/zinc/66/87/70/562668770.db2.gz RDGHZEHHGPDTHJ-MZKWEORMSA-N -1 3 726.605 3.637 1 0 KHAFHM COc1ccc([C@@H](CCC[N-]S(=O)(=O)c2cccs2)N2C(=O)c3cccc(N4CCN(C)CC4)c3C2=O)cc1OC ZINC000049679705 562668962 /nfs/dbraw/zinc/66/89/62/562668962.db2.gz QVOADEILYCLCKY-JOCHJYFZSA-N -1 3 598.747 3.613 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)C[C@@H](c3ccc(F)cc3)N(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000049679830 562669019 /nfs/dbraw/zinc/66/90/19/562669019.db2.gz VHFRTRFLRVQWNG-NRFANRHFSA-N -1 3 588.614 3.835 1 0 KHAFHM CC(C)(C)NC(=O)[C@@H]1CN(Cc2ccccc2[S-])CCN1C[C@@H](O)C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1c2ccccc2C[C@H]1O ZINC000049720390 562672061 /nfs/dbraw/zinc/67/20/61/562672061.db2.gz MXQKEJBEBISBEI-MDUJOHMVSA-N -1 3 644.882 3.761 1 0 KHAFHM CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@H](C(=O)Nc1nccs1)C(C)(C)SCCNC(=O)OCC)N([O-])C=O ZINC000049723325 562673271 /nfs/dbraw/zinc/67/32/71/562673271.db2.gz OVTJKZWBDXWEDQ-CEXWTWQISA-N -1 3 559.755 3.503 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)C[C@H](c3ccccc3)N(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000049745067 562673642 /nfs/dbraw/zinc/67/36/42/562673642.db2.gz UNYFDZIVRUSSDO-OAQYLSRUSA-N -1 3 570.624 3.696 1 0 KHAFHM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(N3CCN(CCC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049745748 562674047 /nfs/dbraw/zinc/67/40/47/562674047.db2.gz DAHNSCDTKJRDMZ-NDEPHWFRSA-N -1 3 636.794 3.715 1 0 KHAFHM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(CCCCCO)cc(-c3ccccc3)n2)CC1 ZINC000049746515 562674451 /nfs/dbraw/zinc/67/44/51/562674451.db2.gz WUEHFDWSPAATLT-SANMLTNESA-N -1 3 596.725 3.888 1 0 KHAFHM COc1cccc(-c2cc(C(=O)Nc3coc4cc(O[C@@H]5OC(C)(C)[C@H](OC)[C@@H](O)[C@H]5O)cc([O-])c4c3=O)ccc2OC)c1 ZINC000049746687 562674549 /nfs/dbraw/zinc/67/45/49/562674549.db2.gz CKBKLOKXNPQSIO-OBORMVJTSA-N -1 3 607.612 3.686 1 0 KHAFHM O=C(c1ccccn1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746851 562674631 /nfs/dbraw/zinc/67/46/31/562674631.db2.gz KTXPWQMRCCXMLX-UHFFFAOYSA-N -1 3 553.584 3.516 1 0 KHAFHM O=C(c1cccnc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049746853 562674629 /nfs/dbraw/zinc/67/46/29/562674629.db2.gz KRQSYJIYPLUQBO-UHFFFAOYSA-N -1 3 553.584 3.516 1 0 KHAFHM O=S(=O)([N-]C1CCN(S(=O)(=O)c2ccccc2)CC1)c1cc(S(=O)(=O)c2ccccc2)ccc1C(F)(F)F ZINC000049756043 562674756 /nfs/dbraw/zinc/67/47/56/562674756.db2.gz MLOSYDVMRNVHCU-UHFFFAOYSA-N -1 3 588.651 3.670 1 0 KHAFHM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(C)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756403 562674977 /nfs/dbraw/zinc/67/49/77/562674977.db2.gz MHRUDWMBOPCJQN-MHZLTWQESA-N -1 3 623.751 3.656 1 0 KHAFHM CCCCCOC(=O)N1CCN(C(=O)[C@H](CCC(=O)[O-])NC(=O)c2cc(OC3CCN(CCOC)CC3)cc(-c3ccccc3)n2)CC1 ZINC000049756405 562675006 /nfs/dbraw/zinc/67/50/06/562675006.db2.gz XURUYCRZVYGPAF-LJAQVGFWSA-N -1 3 667.804 3.672 1 0 KHAFHM O=C(c1ccncc1)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049771448 562678186 /nfs/dbraw/zinc/67/81/86/562678186.db2.gz MBLSOEXVEPXAFY-UHFFFAOYSA-N -1 3 553.584 3.516 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(Br)cc(C(=O)N2COC[C@@H]2c2ccccc2)n1 ZINC000049823097 562686999 /nfs/dbraw/zinc/68/69/99/562686999.db2.gz VJRDPWORFMXZOD-OYFGVDPJSA-N -1 3 697.550 3.536 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(Br)cc(C(=O)N2COC[C@@H]2c2ccccc2)n1 ZINC000049823097 562686998 /nfs/dbraw/zinc/68/69/98/562686998.db2.gz VJRDPWORFMXZOD-OYFGVDPJSA-N -1 3 697.550 3.536 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](CC(C)C)C(=O)OCCCCCn3cc(F)c(=O)[n-]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000049832792 562687239 /nfs/dbraw/zinc/68/72/39/562687239.db2.gz IBTZBIVFJPAJOI-WXQOTDNWSA-N -1 3 711.740 3.521 1 0 KHAFHM O=C(c1ccncc1)N1CCC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049841323 562688234 /nfs/dbraw/zinc/68/82/34/562688234.db2.gz WAWYMBXODUTKBX-VWLOTQADSA-N -1 3 650.701 3.507 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(Br)cc(C(=O)N2COC[C@@H]2c2ccc(F)cc2)n1 ZINC000049841549 562688483 /nfs/dbraw/zinc/68/84/83/562688483.db2.gz UVGZTJXPFSPHQY-OYFGVDPJSA-N -1 3 715.540 3.675 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(Br)cc(C(=O)N2COC[C@@H]2c2ccc(F)cc2)n1 ZINC000049841549 562688482 /nfs/dbraw/zinc/68/84/82/562688482.db2.gz UVGZTJXPFSPHQY-OYFGVDPJSA-N -1 3 715.540 3.675 1 0 KHAFHM CCCCCN(CCCCC)[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000049853630 562689010 /nfs/dbraw/zinc/68/90/10/562689010.db2.gz NKKYOEUZFKRBCG-ZDCRTTOTSA-N -1 3 695.902 3.561 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(Cl)cc(C(=O)N2COC[C@@H]2c2ccc(F)cc2)n1 ZINC000049889325 562692003 /nfs/dbraw/zinc/69/20/03/562692003.db2.gz UVDIEGWQUNXUPW-OYFGVDPJSA-N -1 3 671.089 3.566 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(Cl)cc(C(=O)N2COC[C@@H]2c2ccc(F)cc2)n1 ZINC000049889325 562692002 /nfs/dbraw/zinc/69/20/02/562692002.db2.gz UVDIEGWQUNXUPW-OYFGVDPJSA-N -1 3 671.089 3.566 1 0 KHAFHM CC(C)(C)OC(=O)N1C(=O)CC[C@H]1C(=O)N1CCC([N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)ccc2C(F)(F)F)CC1 ZINC000049898270 562692366 /nfs/dbraw/zinc/69/23/66/562692366.db2.gz AFFKILKRCQTYFJ-QFIPXVFZSA-N -1 3 659.705 3.734 1 0 KHAFHM C/C1=C\[C@H](C)C[C@H](C)OC(=O)[C@H](C(C)C)NC(=O)[C@H](Cc2ccc([O-])c(I)c2)N(C)C(=O)CNC(=O)[C@@H](C)C1 ZINC000049902691 562693362 /nfs/dbraw/zinc/69/33/62/562693362.db2.gz HADLOGUIGHOPEZ-ZCRKUDLBSA-N -1 3 655.574 3.567 1 0 KHAFHM CC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OCc1ccccc1)C(=O)Nc1ccccn1)N([O-])C=O ZINC000049917967 562694266 /nfs/dbraw/zinc/69/42/66/562694266.db2.gz FPHCNWPDLAXZGD-DSITVLBTSA-N -1 3 555.676 3.890 1 0 KHAFHM CCC[C@@H]([C@@H](CC(C)C)C(=O)N[C@@H](CCCNc1nccc(C(F)(F)F)n1)C(=O)Nc1nccs1)N([O-])C=O ZINC000049918157 562694540 /nfs/dbraw/zinc/69/45/40/562694540.db2.gz LMPSDWYITNWYMJ-SQNIBIBYSA-N -1 3 573.642 3.946 1 0 KHAFHM CC(C)=CC[C@H]1CN(Cc2ccc(F)cc2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000053119672 562696275 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CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccc(F)c(F)c3)C1=O)[N-]2 ZINC000053224440 562696548 /nfs/dbraw/zinc/69/65/48/562696548.db2.gz KQLJKRCXZROZOM-KBEHYWLWSA-N -1 3 592.646 3.508 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3cc(F)ccc3F)C1=O)[N-]2 ZINC000053224454 562696554 /nfs/dbraw/zinc/69/65/54/562696554.db2.gz UQLDMGQWNPNAQK-OAKDCAPRSA-N -1 3 592.646 3.508 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3cccc(C(F)(F)F)c3)C1=O)[N-]2 ZINC000053227573 562696568 /nfs/dbraw/zinc/69/65/68/562696568.db2.gz WNXHPKPWYIJUEI-RLHIPHHXSA-N -1 3 610.636 3.859 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3cc(Cl)ccc3F)C1=O)[N-]2 ZINC000053227581 562696609 /nfs/dbraw/zinc/69/66/09/562696609.db2.gz YRYHAFOHTKHXEU-UICDGQQBSA-N -1 3 595.074 3.633 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3cc(Cl)ccc3F)C1=O)[N-]2 ZINC000053227584 562696619 /nfs/dbraw/zinc/69/66/19/562696619.db2.gz YRYHAFOHTKHXEU-CQJTUVQWSA-N -1 3 595.074 3.633 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3cccc(C(F)(F)F)c3)C1=O)[N-]2 ZINC000053227585 562696611 /nfs/dbraw/zinc/69/66/11/562696611.db2.gz WNXHPKPWYIJUEI-ZUVUYASXSA-N -1 3 610.636 3.859 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3N(Cc3ccc(C(F)(F)F)cc3)C1=O)[N-]2 ZINC000053227586 562696603 /nfs/dbraw/zinc/69/66/03/562696603.db2.gz JAQIFBJTESUWIB-ZUVUYASXSA-N -1 3 610.636 3.859 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(F)c(Cl)c3)C1=O)[N-]2 ZINC000053227590 562696594 /nfs/dbraw/zinc/69/65/94/562696594.db2.gz KPAPCAYPFRBKLZ-VQXITPLLSA-N -1 3 595.074 3.633 1 0 KHAFHM 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/nfs/dbraw/zinc/73/70/69/562737069.db2.gz WLDSJUDMEMRNAU-UHFFFAOYSA-N -1 3 543.697 3.908 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2CCSCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073258679 562737068 /nfs/dbraw/zinc/73/70/68/562737068.db2.gz WLDSJUDMEMRNAU-UHFFFAOYSA-N -1 3 543.697 3.908 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073258680 562737095 /nfs/dbraw/zinc/73/70/95/562737095.db2.gz XWMKFGAISRDVRM-OYRHEFFESA-N -1 3 555.683 3.968 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073258680 562737094 /nfs/dbraw/zinc/73/70/94/562737094.db2.gz XWMKFGAISRDVRM-OYRHEFFESA-N -1 3 555.683 3.968 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073258681 562737148 /nfs/dbraw/zinc/73/71/48/562737148.db2.gz XWMKFGAISRDVRM-NHCUHLMSSA-N -1 3 555.683 3.968 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073258681 562737147 /nfs/dbraw/zinc/73/71/47/562737147.db2.gz XWMKFGAISRDVRM-NHCUHLMSSA-N -1 3 555.683 3.968 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073258682 562737126 /nfs/dbraw/zinc/73/71/26/562737126.db2.gz XWMKFGAISRDVRM-SFTDATJTSA-N -1 3 555.683 3.968 1 0 KHAFHM CCCCc1nc(C)c(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073258682 562737125 /nfs/dbraw/zinc/73/71/25/562737125.db2.gz XWMKFGAISRDVRM-SFTDATJTSA-N -1 3 555.683 3.968 1 0 KHAFHM CCCCc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073292618 562737559 /nfs/dbraw/zinc/73/75/59/562737559.db2.gz QZGXBHDAIRJIOA-MHZLTWQESA-N -1 3 583.693 3.886 1 0 KHAFHM CCCCc1nc(C)c(CCC(=O)N2CCC[C@H]2C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073292618 562737558 /nfs/dbraw/zinc/73/75/58/562737558.db2.gz QZGXBHDAIRJIOA-MHZLTWQESA-N -1 3 583.693 3.886 1 0 KHAFHM CCCCc1nc(C)c(CCC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000073293403 562737551 /nfs/dbraw/zinc/73/75/51/562737551.db2.gz VIIUQRYTTGGTGH-UHFFFAOYSA-N -1 3 541.656 3.581 1 0 KHAFHM CCCCc1nc(C)c(CCC(=O)N2CCOCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000073293403 562737550 /nfs/dbraw/zinc/73/75/50/562737550.db2.gz VIIUQRYTTGGTGH-UHFFFAOYSA-N -1 3 541.656 3.581 1 0 KHAFHM COc1ccc(-c2cnnn2-c2cc(I)c(OC)c(I)c2)c([O-])c1 ZINC000082157103 562740872 /nfs/dbraw/zinc/74/08/72/562740872.db2.gz YIRVTKICNRGZSJ-UHFFFAOYSA-N -1 3 549.106 3.866 1 0 KHAFHM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)CCC(=O)c1ccc2[nH]c3c4c(c5c(c3c2c1)C(=O)[N-]C5=O)CCC4 ZINC000082157897 562741006 /nfs/dbraw/zinc/74/10/06/562741006.db2.gz LKLUUPJMKYFYIM-FQEVSTJZSA-N -1 3 529.593 3.989 1 0 KHAFHM CC(C)(C)OC(=O)N1CCN(C(=O)CCC(=O)c2ccc3[nH]c4c5c(c6c(c4c3c2)C(=O)[N-]C6=O)CCC5)CC1 ZINC000082158242 562741086 /nfs/dbraw/zinc/74/10/86/562741086.db2.gz XWPAWCVIIJXLTE-UHFFFAOYSA-N -1 3 544.608 3.736 1 0 KHAFHM CC(C)[C@H](NC(=O)[C@@H](N)CNC(=O)c1cc(O)ccc1[O-])C(=O)N[C@@H](CC1CCCCC1)C(=O)NC(C)(C)Cc1ccc(Br)cc1 ZINC000082164590 562741215 /nfs/dbraw/zinc/74/12/15/562741215.db2.gz ZRTJTRKZHALIGW-YCVJPRETSA-N -1 3 702.691 3.651 1 0 KHAFHM COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2n2cc(Cn3cc(Cl)c(=O)[n-]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185677 562742374 /nfs/dbraw/zinc/74/23/74/562742374.db2.gz OAIKOHKGTMGNDO-CPCREDONSA-N -1 3 724.174 3.534 1 0 KHAFHM COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@@H]2n2cc(Cn3cc(Cl)c(=O)[n-]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185679 562742359 /nfs/dbraw/zinc/74/23/59/562742359.db2.gz OAIKOHKGTMGNDO-OWHBQTKESA-N -1 3 724.174 3.534 1 0 KHAFHM COc1ccc(C(OC[C@@H]2O[C@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2n2cc(Cn3cc(Cl)c(=O)[n-]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185684 562742338 /nfs/dbraw/zinc/74/23/38/562742338.db2.gz OAIKOHKGTMGNDO-RTOKGZNSSA-N -1 3 724.174 3.534 1 0 KHAFHM COc1ccc(C(OC[C@@H]2O[C@@H](n3cc(C)c(=O)[nH]c3=O)C[C@H]2n2cc(Cn3cc(Cl)c(=O)[n-]c3=O)nn2)(c2ccccc2)c2ccccc2)cc1 ZINC000082185689 562742368 /nfs/dbraw/zinc/74/23/68/562742368.db2.gz OAIKOHKGTMGNDO-YKILCQELSA-N -1 3 724.174 3.534 1 0 KHAFHM C[C@@](NC[C@H](O)c1ccc(O)c([N-]S(C)(=O)=O)c1)(C(=O)Nc1ccccc1)c1ccc(OC(F)F)cc1 ZINC000084409972 562743020 /nfs/dbraw/zinc/74/30/20/562743020.db2.gz PCLXSFNCKFHCGP-DHLKQENFSA-N -1 3 535.569 3.542 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccc(F)cc3F)C1=O)[N-]2 ZINC000084466204 562743160 /nfs/dbraw/zinc/74/31/60/562743160.db2.gz PYKQPRQOVLSLJJ-OAKDCAPRSA-N -1 3 592.646 3.508 1 0 KHAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cc[n+]([O-])cc4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084618276 562745062 /nfs/dbraw/zinc/74/50/62/562745062.db2.gz ZXMSLCHJMUQKLG-SFHVURJKSA-N -1 3 558.672 3.605 1 0 KHAFHM Cc1cn2c(-c3cnn(CC(=O)Nc4cc[n+]([O-])cc4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084618278 562745048 /nfs/dbraw/zinc/74/50/48/562745048.db2.gz ZXMSLCHJMUQKLG-GOSISDBHSA-N -1 3 558.672 3.605 1 0 KHAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ncco4)c3)cnc2c([N-]c2cc(CN3CCC[C@H](C)C3)ns2)n1 ZINC000084632187 562745470 /nfs/dbraw/zinc/74/54/70/562745470.db2.gz HSHDMLKUROTFFL-KRWDZBQOSA-N -1 3 546.661 3.638 1 0 KHAFHM Cc1cn2c(-c3cnn(CC(=O)NCc4ncco4)c3)cnc2c([N-]c2cc(CN3CCC[C@@H](C)C3)ns2)n1 ZINC000084632189 562745444 /nfs/dbraw/zinc/74/54/44/562745444.db2.gz HSHDMLKUROTFFL-QGZVFWFLSA-N -1 3 546.661 3.638 1 0 KHAFHM C[C@H](N)C(=O)Nc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1OCCc1c[nH]c2ccccc12 ZINC000084652842 562746680 /nfs/dbraw/zinc/74/66/80/562746680.db2.gz IXMPFQTXZMFYHD-MYUZEXMDSA-N -1 3 553.619 3.982 1 0 KHAFHM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(C(=O)[O-])cc3)cc1)C(=O)N2c1cc(=O)[nH]cn1 ZINC000084653150 562746792 /nfs/dbraw/zinc/74/67/92/562746792.db2.gz AVIDRKWFHQXSDT-UHFFFAOYSA-N -1 3 564.602 3.847 1 0 KHAFHM COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC(=O)[C@@H](N)CC(=O)[O-])c(OCCc2c[nH]c3ccccc23)c1 ZINC000084653433 562746890 /nfs/dbraw/zinc/74/68/90/562746890.db2.gz YKFPZIQSYMBOFI-CUBQBAPOSA-N -1 3 611.655 3.525 1 0 KHAFHM N[C@@H](CC(=O)[O-])C(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1OCCc1c[nH]c2ccccc12 ZINC000084669376 562747949 /nfs/dbraw/zinc/74/79/49/562747949.db2.gz ZGKKIJHWOKTXSF-DEOSSOPVSA-N -1 3 553.619 3.984 1 0 KHAFHM Cc1cccnc1CN1CCC2(CC1)C(=O)N(c1ccc(-c3ccc(N4CCOCC4)cc3)cc1)C(=O)N2c1cc(=O)[n-]cn1 ZINC000084670083 562748155 /nfs/dbraw/zinc/74/81/55/562748155.db2.gz WOFLYJYTODVGLV-UHFFFAOYSA-N -1 3 605.699 3.985 1 0 KHAFHM Cc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084670367 562748243 /nfs/dbraw/zinc/74/82/43/562748243.db2.gz DNSNTGYFSRRAOW-YPKYBTACSA-N -1 3 631.693 3.687 1 0 KHAFHM Cc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000084670367 562748242 /nfs/dbraw/zinc/74/82/42/562748242.db2.gz DNSNTGYFSRRAOW-YPKYBTACSA-N -1 3 631.693 3.687 1 0 KHAFHM COc1ccc([C@@]23Oc4cc(OC)cc(OC)c4[C@]2(O)[C@H](O)C(=C([O-])c2ccc(CO)o2)[C@H]3c2ccccc2)cc1 ZINC000084690398 562749595 /nfs/dbraw/zinc/74/95/95/562749595.db2.gz BSYHCYYZVQUYJL-DMBXUQNDSA-N -1 3 558.583 3.931 1 0 KHAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@@](O)(Cn4cncn4)c4ccc(Cl)cc4)C3)c(F)cc2c1=O ZINC000084707151 562750064 /nfs/dbraw/zinc/75/00/64/562750064.db2.gz MCUBNRLYSMTCTN-KWMCUTETSA-N -1 3 601.466 3.828 1 0 KHAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@@H](NC[C@](O)(Cn4cncn4)c4ccc(Cl)cc4)C3)c(F)cc2c1=O ZINC000084707155 562750093 /nfs/dbraw/zinc/75/00/93/562750093.db2.gz MCUBNRLYSMTCTN-WRHNGFHOSA-N -1 3 601.466 3.828 1 0 KHAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@@](O)(Cn4cncn4)c4ccc(Cl)cc4)C3)c(F)cc2c1=O ZINC000084707159 562750075 /nfs/dbraw/zinc/75/00/75/562750075.db2.gz MCUBNRLYSMTCTN-XDBZFTIUSA-N -1 3 601.466 3.828 1 0 KHAFHM O=C([O-])c1cn(C2CC2)c2c(Cl)c(N3CC[C@H](NC[C@](O)(Cn4cncn4)c4ccc(Cl)cc4)C3)c(F)cc2c1=O ZINC000084707163 562750067 /nfs/dbraw/zinc/75/00/67/562750067.db2.gz MCUBNRLYSMTCTN-JMQGSBJISA-N -1 3 601.466 3.828 1 0 KHAFHM CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(Cc3cccc(Cl)c3)[nH][n-]c-2cc1=O ZINC000084722803 562751084 /nfs/dbraw/zinc/75/10/84/562751084.db2.gz KBWLLBQRVQWYAU-UHFFFAOYSA-N -1 3 513.019 3.834 1 0 KHAFHM CN(Cc1ccc(CNS(C)(=O)=O)cc1)C(=O)c1cc2c(cc1[O-])n[nH]c2Cc1cccc(Cl)c1 ZINC000084722803 562751083 /nfs/dbraw/zinc/75/10/83/562751083.db2.gz KBWLLBQRVQWYAU-UHFFFAOYSA-N -1 3 513.019 3.834 1 0 KHAFHM Cc1ccc(C[C@@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc([N-]S(C)(=O)=O)c(F)c2)cc1C ZINC000084757605 562752433 /nfs/dbraw/zinc/75/24/33/562752433.db2.gz YNMZLGVEFKRTOM-FQEVSTJZSA-N -1 3 523.696 3.979 1 0 KHAFHM Cc1ccc(C[C@H](COC(=O)C(C)(C)C)NC(=S)NCc2ccc([N-]S(C)(=O)=O)c(F)c2)cc1C ZINC000084757607 562752446 /nfs/dbraw/zinc/75/24/46/562752446.db2.gz YNMZLGVEFKRTOM-HXUWFJFHSA-N -1 3 523.696 3.979 1 0 KHAFHM CCCCCCC(=O)c1c([O-])c2c(cc(OC)cc2O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1C1CCCC1 ZINC000085592499 291805756 /nfs/dbraw/zinc/80/57/56/291805756.db2.gz BOYWVUMLSBVWAO-YFTHNEECSA-N -1 3 532.630 3.543 1 0 biogenic,in-vitro KHAFHM C/C=C(/CO)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c3c2O[C@@]1(C)[C@H]1Cc2cnc(N)cc2CC2=C1C(=CC2)c1c(N)nccc1C3 ZINC000085595179 565152046 /nfs/dbraw/zinc/15/20/46/565152046.db2.gz PCOXUNZQURKHJN-KJKJLJIRSA-N -1 3 676.726 3.592 1 0 biogenic,in-vitro KHAFHM C/C=C(/CO)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c3c2O[C@@]1(C)[C@H]1Cc2cnc(N)cc2CC2=C1C(=CC2)c1c(N)nccc1C3 ZINC000085595179 565152038 /nfs/dbraw/zinc/15/20/38/565152038.db2.gz PCOXUNZQURKHJN-KJKJLJIRSA-N -1 3 676.726 3.592 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)nc1 ZINC000085595201 565152672 /nfs/dbraw/zinc/15/26/72/565152672.db2.gz BKVZNLVBOQLHOQ-YHOVZKCPSA-N -1 3 602.640 3.764 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)[C@H](CO)Cc1ccc(N)nc1 ZINC000085595201 565152669 /nfs/dbraw/zinc/15/26/69/565152669.db2.gz BKVZNLVBOQLHOQ-YHOVZKCPSA-N -1 3 602.640 3.764 1 0 biogenic,in-vitro KHAFHM C/C=C(/CO)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595203 560064104 /nfs/dbraw/zinc/06/41/04/560064104.db2.gz VGBJIOZHXRCIDJ-LYMNMARTSA-N -1 3 588.613 3.518 1 0 biogenic,in-vitro KHAFHM C/C=C(/CO)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(-c3cccc(O)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595203 560064103 /nfs/dbraw/zinc/06/41/03/560064103.db2.gz VGBJIOZHXRCIDJ-LYMNMARTSA-N -1 3 588.613 3.518 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c3c2O[C@@]1(C)[C@H](Cc1ccc(N)nc1)CCc1c(N)nccc1C3 ZINC000085595222 565152784 /nfs/dbraw/zinc/15/27/84/565152784.db2.gz SJTORIOTARNPGY-YEWSKFOYSA-N -1 3 612.683 3.913 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c3c2O[C@@]1(C)[C@H](Cc1ccc(N)nc1)CCc1c(N)nccc1C3 ZINC000085595222 565152780 /nfs/dbraw/zinc/15/27/80/565152780.db2.gz SJTORIOTARNPGY-YEWSKFOYSA-N -1 3 612.683 3.913 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](CCO)c3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595226 565152795 /nfs/dbraw/zinc/15/27/95/565152795.db2.gz XZZHKPNOMMHTQP-ZELMHVNASA-N -1 3 630.698 3.664 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](CCO)c3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595226 565152792 /nfs/dbraw/zinc/15/27/92/565152792.db2.gz XZZHKPNOMMHTQP-ZELMHVNASA-N -1 3 630.698 3.664 1 0 biogenic,in-vitro KHAFHM C/C=C(/CO)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595236 565152877 /nfs/dbraw/zinc/15/28/77/565152877.db2.gz NYFZZBLEDRKHMD-VJNKOSLNSA-N -1 3 602.640 3.612 1 0 biogenic,in-vitro KHAFHM C/C=C(/CO)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c([C@H](Cc3cccc(O)c3)c3ccnc(N)c3)c2OC1(C)C ZINC000085595236 565152873 /nfs/dbraw/zinc/15/28/73/565152873.db2.gz NYFZZBLEDRKHMD-VJNKOSLNSA-N -1 3 602.640 3.612 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c(=O)c3c([O-])cc(CO)oc-3c(Cc3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595243 560064119 /nfs/dbraw/zinc/06/41/19/560064119.db2.gz WYZGWMYKYXQYJY-YGPXXKOCSA-N -1 3 586.645 3.741 1 0 biogenic,in-vitro KHAFHM C/C=C(/C)C(=O)O[C@@H]1Cc2c([O-])c3c(=O)cc(CO)oc3c(Cc3ccnc(N)c3)c2O[C@@]1(C)CCc1ccc(N)nc1 ZINC000085595243 560064118 /nfs/dbraw/zinc/06/41/18/560064118.db2.gz WYZGWMYKYXQYJY-YGPXXKOCSA-N -1 3 586.645 3.741 1 0 biogenic,in-vitro KHAFHM CC(C)CC[C@H]1CN(Cc2ccc(F)cc2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000095536699 562754021 /nfs/dbraw/zinc/75/40/21/562754021.db2.gz KWMGTEHTNLOTET-KRWDZBQOSA-N -1 3 564.661 3.617 1 0 KHAFHM CC(C)CC[C@@H]1CC(=O)C(C2=NS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3[N-]2)C(=O)N1Cc1ccc(F)cc1 ZINC000095536787 562754103 /nfs/dbraw/zinc/75/41/03/562754103.db2.gz UQHBJQCJMXDOIV-LJQANCHMSA-N -1 3 564.661 3.759 1 0 KHAFHM COCCOCCOCCOCC(=O)Nc1cc(C[C@H](NS(=O)(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])ccc1OCCCNc1ccc2c(n1)NCCC2 ZINC000095536853 562754223 /nfs/dbraw/zinc/75/42/23/562754223.db2.gz OTGFOVKWHHNDHF-PMERELPUSA-N -1 3 797.850 3.948 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](Cc3ccccc3)C(=O)OCCCCCn3cc(F)c(=O)[n-]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095540753 562755958 /nfs/dbraw/zinc/75/59/58/562755958.db2.gz FUVNJQGRPYMMFD-CTEYBYRTSA-N -1 3 745.757 3.718 1 0 KHAFHM O=C([O-])c1cn(Cc2ccc(C(F)(F)F)cc2)c2c(F)c(N3CCN(c4nc(NCCCN5CCOCC5)nc(NCCCN5CCOCC5)n4)CC3)c(F)cc2c1=O ZINC000095547939 562759009 /nfs/dbraw/zinc/75/90/09/562759009.db2.gz VQBHQCFMFYOGMD-UHFFFAOYSA-N -1 3 830.860 3.825 1 0 KHAFHM CC/C(=C(/c1ccc(OCCN(C)C)cc1)c1ccc(O[P@@](=O)([O-])O[C@H]2[C@@H](O)[C@H](n3ccc(=O)[nH]c3=O)O[C@@H]2CO)cc1)c1ccccc1 ZINC000095564020 562764150 /nfs/dbraw/zinc/76/41/50/562764150.db2.gz ZIMRQKAMSCEBRO-NZIOMIQQSA-N -1 3 693.690 3.661 1 0 KHAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095566350 562764885 /nfs/dbraw/zinc/76/48/85/562764885.db2.gz ICLVAIRKVCJOPP-ZGPNTQEDSA-N -1 3 625.744 3.506 1 0 KHAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000095566538 562765067 /nfs/dbraw/zinc/76/50/67/562765067.db2.gz VWQPHETXZDMYNJ-LJKQEARRSA-N -1 3 624.591 3.809 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@@H](CN(C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095566631 562765131 /nfs/dbraw/zinc/76/51/31/562765131.db2.gz GYFFHKZTXAXEFC-INEJIFKHSA-N -1 3 609.745 3.806 1 0 KHAFHM C[C@H](CO)N1C[C@H](C)[C@@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2CC1=O ZINC000095566852 562765298 /nfs/dbraw/zinc/76/52/98/562765298.db2.gz VWQPHETXZDMYNJ-GNBJCERTSA-N -1 3 624.591 3.809 1 0 KHAFHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)O3)cc1 ZINC000095566986 562765418 /nfs/dbraw/zinc/76/54/18/562765418.db2.gz YCXUILUVXHPIDI-GVNDJSPXSA-N -1 3 666.218 3.619 1 0 KHAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000095567867 562766111 /nfs/dbraw/zinc/76/61/11/562766111.db2.gz KYAHKDXWSROQEB-PHVLTXCSSA-N -1 3 636.192 3.611 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)O3)cc1 ZINC000095567996 562766229 /nfs/dbraw/zinc/76/62/29/562766229.db2.gz KHCWXUHJPVAIFP-UETOGOEVSA-N -1 3 650.219 3.919 1 0 KHAFHM Cc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095568530 562766747 /nfs/dbraw/zinc/76/67/47/562766747.db2.gz VMKPGPLFJDXMJC-IEOSBIPESA-N -1 3 650.219 3.919 1 0 KHAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095568563 562766728 /nfs/dbraw/zinc/76/67/28/562766728.db2.gz OLDDBPLKAGAVAW-NCXSOUSFSA-N -1 3 654.182 3.750 1 0 KHAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2CC1=O ZINC000095569003 562767065 /nfs/dbraw/zinc/76/70/65/562767065.db2.gz FHACGHLXARVQCB-NCXSOUSFSA-N -1 3 654.182 3.750 1 0 KHAFHM C[C@H](CO)N1C[C@H](C)[C@H](CN(C)Cc2ccc(Cl)c(Cl)c2)Oc2c([N-]S(C)(=O)=O)cccc2C1=O ZINC000095569114 562767186 /nfs/dbraw/zinc/76/71/86/562767186.db2.gz DFZXWWYSPBEGFY-DMPWYTOCSA-N -1 3 544.501 3.717 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)O3)cc1 ZINC000095569161 562767213 /nfs/dbraw/zinc/76/72/13/562767213.db2.gz KXBBTFVXTUPUKF-GTNJKRJXSA-N -1 3 636.192 3.990 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)O3)cc1 ZINC000095569509 562767513 /nfs/dbraw/zinc/76/75/13/562767513.db2.gz KHCWXUHJPVAIFP-BXOOBUKZSA-N -1 3 650.219 3.919 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@H](CN(C)Cc2ccc4c(c2)OCO4)O3)cc1 ZINC000095569566 562767567 /nfs/dbraw/zinc/76/75/67/562767567.db2.gz GYFFHKZTXAXEFC-PKIAKLFDSA-N -1 3 609.745 3.806 1 0 KHAFHM COc1ccc(S(=O)(=O)N(C)C[C@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@H](C)CO)C[C@H]2C)cc1 ZINC000095569592 562767554 /nfs/dbraw/zinc/76/75/54/562767554.db2.gz DYEBGMCLVHWPPS-GVNDJSPXSA-N -1 3 666.218 3.619 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(C)cc2)O3)cc1 ZINC000095570445 562768244 /nfs/dbraw/zinc/76/82/44/562768244.db2.gz RKEPTFSZJCGXTC-FSGGQHMVSA-N -1 3 629.801 3.574 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(C)cc2)O3)cc1 ZINC000095570561 562768333 /nfs/dbraw/zinc/76/83/33/562768333.db2.gz RKEPTFSZJCGXTC-BOYVUMAVSA-N -1 3 629.801 3.574 1 0 KHAFHM C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2CC1=O ZINC000095571213 562768907 /nfs/dbraw/zinc/76/89/07/562768907.db2.gz OLDDBPLKAGAVAW-NKQBKRSGSA-N -1 3 654.182 3.750 1 0 KHAFHM COc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@@H](C)CO)C[C@H]2C)cc1 ZINC000095571498 562769041 /nfs/dbraw/zinc/76/90/41/562769041.db2.gz DYEBGMCLVHWPPS-CGQTXMLISA-N -1 3 666.218 3.619 1 0 KHAFHM CC(=O)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095571795 562769195 /nfs/dbraw/zinc/76/91/95/562769195.db2.gz XSLRYDNINZCGSN-AWEZNQCLSA-N -1 3 560.570 3.563 1 0 KHAFHM CC(=O)OC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095571796 562769197 /nfs/dbraw/zinc/76/91/97/562769197.db2.gz XSLRYDNINZCGSN-CQSZACIVSA-N -1 3 560.570 3.563 1 0 KHAFHM O=C(NC1CCN(S(=O)(=O)c2ccccc2[O-])CC1)N1CCCN(Cc2ccc3cc(F)ccc3c2)CC1 ZINC000095573127 562769586 /nfs/dbraw/zinc/76/95/86/562769586.db2.gz PVEVSTBCEFCESD-UHFFFAOYSA-N -1 3 540.661 3.755 1 0 KHAFHM C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCCCC1 ZINC000095574473 562769981 /nfs/dbraw/zinc/76/99/81/562769981.db2.gz XCGBYBXSWSFSIN-JPOGJKPPSA-N -1 3 605.556 3.535 1 0 KHAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095575055 562770219 /nfs/dbraw/zinc/77/02/19/562770219.db2.gz AFILAHNKNNQJNN-AWEZNQCLSA-N -1 3 500.518 3.797 1 0 KHAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CC=CCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095575056 562770188 /nfs/dbraw/zinc/77/01/88/562770188.db2.gz AFILAHNKNNQJNN-CQSZACIVSA-N -1 3 500.518 3.797 1 0 KHAFHM CCCCCOC(=O)C(C)(C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095575660 562770353 /nfs/dbraw/zinc/77/03/53/562770353.db2.gz APHUBRYQVFKQMK-ZNJVCVTGSA-N -1 3 607.572 3.783 1 0 KHAFHM CCCCCOC(=O)C(C)(C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095575661 562770389 /nfs/dbraw/zinc/77/03/89/562770389.db2.gz APHUBRYQVFKQMK-WQOWJFNGSA-N -1 3 607.572 3.783 1 0 KHAFHM C[C@H](N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCCC(C)(C)C ZINC000095576528 562770654 /nfs/dbraw/zinc/77/06/54/562770654.db2.gz ZHNLISBGPCUCBE-UTPYMNEVSA-N -1 3 607.572 3.639 1 0 KHAFHM CCCCCCOC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095576841 562770726 /nfs/dbraw/zinc/77/07/26/562770726.db2.gz JAIDBBCQRNLRCJ-BBXRBSHBSA-N -1 3 607.572 3.783 1 0 KHAFHM CCCCCCOC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21 ZINC000095576842 562770740 /nfs/dbraw/zinc/77/07/40/562770740.db2.gz JAIDBBCQRNLRCJ-BAYATWEPSA-N -1 3 607.572 3.783 1 0 KHAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095576962 562770793 /nfs/dbraw/zinc/77/07/93/562770793.db2.gz ISPJCQNIHDMHFL-ZNMIVQPWSA-N -1 3 532.560 3.645 1 0 KHAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1C[C@@H](C)O[C@@H](C)C1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095576963 562770790 /nfs/dbraw/zinc/77/07/90/562770790.db2.gz ISPJCQNIHDMHFL-QLFBSQMISA-N -1 3 532.560 3.645 1 0 KHAFHM COC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095578496 562771277 /nfs/dbraw/zinc/77/12/77/562771277.db2.gz PVSORTJSXQOMLT-AWEZNQCLSA-N -1 3 532.560 3.646 1 0 KHAFHM COC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095578497 562771241 /nfs/dbraw/zinc/77/12/41/562771241.db2.gz PVSORTJSXQOMLT-CQSZACIVSA-N -1 3 532.560 3.646 1 0 KHAFHM CC(C)(N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095578757 562771379 /nfs/dbraw/zinc/77/13/79/562771379.db2.gz XGISVMOZDCDXSV-GSXQCRFRSA-N -1 3 627.562 3.793 1 0 KHAFHM CC(C)(N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCc1ccccc1 ZINC000095578758 562771364 /nfs/dbraw/zinc/77/13/64/562771364.db2.gz XGISVMOZDCDXSV-ZAODAWGMSA-N -1 3 627.562 3.793 1 0 KHAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579638 562771606 /nfs/dbraw/zinc/77/16/06/562771606.db2.gz GTZMAKRJIKZWAH-ZDUSSCGKSA-N -1 3 520.524 3.969 1 0 KHAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N1CCC(F)CC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000095579639 562771596 /nfs/dbraw/zinc/77/15/96/562771596.db2.gz GTZMAKRJIKZWAH-CYBMUJFWSA-N -1 3 520.524 3.969 1 0 KHAFHM COCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095580380 562771825 /nfs/dbraw/zinc/77/18/25/562771825.db2.gz RLNIRWXHOYZUHJ-HNNXBMFYSA-N -1 3 546.587 3.894 1 0 KHAFHM COCC1CCN(c2nc(C(F)(F)F)ccc2CNC(=O)[C@H](C)c2ccc([N-]S(C)(=O)=O)c(F)c2)CC1 ZINC000095580381 562771846 /nfs/dbraw/zinc/77/18/46/562771846.db2.gz RLNIRWXHOYZUHJ-OAHLLOKOSA-N -1 3 546.587 3.894 1 0 KHAFHM CN[C@H](C)C(=O)NCc1cccc(Cn2nc([N-]S(=O)(=O)c3ccc(Cl)s3)c3c2cccc3OC)c1 ZINC000095582265 562772482 /nfs/dbraw/zinc/77/24/82/562772482.db2.gz GDRATRAGKPCRIV-OAHLLOKOSA-N -1 3 548.090 3.833 1 0 KHAFHM COc1cccc2c1c([N-]S(=O)(=O)c1ccc(Cl)s1)nn2Cc1cccc(CNC(=O)C(C)(C)N)c1 ZINC000095585536 562773610 /nfs/dbraw/zinc/77/36/10/562773610.db2.gz SIBHOWSWIFTOMQ-UHFFFAOYSA-N -1 3 548.090 3.962 1 0 KHAFHM O=C1O[C@@H](C[N-]S(=O)(=O)c2cc(S(=O)(=O)c3ccccc3)cs2)CN1c1ccc(N2CCSCC2)c(F)c1 ZINC000095591108 562775498 /nfs/dbraw/zinc/77/54/98/562775498.db2.gz LNDZWOOYWZYRRI-SFHVURJKSA-N -1 3 597.737 3.577 1 0 KHAFHM CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](NCc1ccccc1)[C@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)[O-] ZINC000095594016 562776388 /nfs/dbraw/zinc/77/63/88/562776388.db2.gz NKYXIGPMJJTFEE-DPUHJCOJSA-N -1 3 788.939 3.819 1 0 KHAFHM CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](NCc1ccccc1)[C@@H]1O[C@@H]2OC(C)(C)O[C@@H]2[C@H]1OCc1ccccc1)C(=O)N[C@@H](COCc1ccccc1)C(=O)[O-] ZINC000095594017 562776344 /nfs/dbraw/zinc/77/63/44/562776344.db2.gz NKYXIGPMJJTFEE-ZQOCIMJLSA-N -1 3 788.939 3.819 1 0 KHAFHM COC[C@@H]1Oc2ccc([C@H]3Oc4cc(OC)cc([O-])c4C(=O)[C@@H]3O)cc2O[C@H]1c1ccc(OC)c(OC)c1 ZINC000095596566 562777043 /nfs/dbraw/zinc/77/70/43/562777043.db2.gz MHWJPRDJRWCQLO-QWMXJGQVSA-N -1 3 524.522 3.623 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(C)cc2)O3)cc1 ZINC000095598769 562777506 /nfs/dbraw/zinc/77/75/06/562777506.db2.gz RKEPTFSZJCGXTC-BBANNHEPSA-N -1 3 629.801 3.574 1 0 KHAFHM O=C(C[C@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@@H](CO)O1)N1CCc2ccccc2C1 ZINC000095598843 562777535 /nfs/dbraw/zinc/77/75/35/562777535.db2.gz RHYJRBPAXZYDBS-AMOMVJEUSA-N -1 3 552.624 3.596 1 0 KHAFHM O=C(C[C@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095599135 562777778 /nfs/dbraw/zinc/77/77/78/562777778.db2.gz RQEGAPRBBMLFLJ-BQLGRQSHSA-N -1 3 561.031 3.981 1 0 KHAFHM O=C(C[C@@H]1C[C@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095599911 562778442 /nfs/dbraw/zinc/77/84/42/562778442.db2.gz RQEGAPRBBMLFLJ-WHTZKJIOSA-N -1 3 561.031 3.981 1 0 KHAFHM C[C@@H](NC(=O)C[C@H]1C[C@@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@@H]2[C@H](CO)O1)c1ccccc1 ZINC000095601286 562779512 /nfs/dbraw/zinc/77/95/12/562779512.db2.gz SUQCIPRCFCPKOO-CPKADCMZSA-N -1 3 540.613 3.888 1 0 KHAFHM COc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)[C@H]2C[C@H](CC(=O)NCc4ccc(Cl)cc4)O[C@@H](CO)[C@H]2O3)c1 ZINC000095603001 562780287 /nfs/dbraw/zinc/78/02/87/562780287.db2.gz XHFXJTPXFPIUNX-DZXBDMBVSA-N -1 3 573.067 3.850 1 0 KHAFHM Cc1ccc(S(=O)(=O)N(C)C[C@@H]2Oc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3CC(=O)N([C@@H](C)CO)C[C@@H]2C)cc1 ZINC000095604326 562780988 /nfs/dbraw/zinc/78/09/88/562780988.db2.gz VMKPGPLFJDXMJC-SYZUXVNWSA-N -1 3 650.219 3.919 1 0 KHAFHM COc1cc(Br)c(S(=O)(=O)[N-]c2ccc(C(F)(F)F)c(OCCN3CCN(C)CC3)c2)cc1OC ZINC000095604499 562781017 /nfs/dbraw/zinc/78/10/17/562781017.db2.gz QHYQKQSJMGRGDT-UHFFFAOYSA-N -1 3 582.439 3.912 1 0 KHAFHM COc1ccccc1CNC(=O)C[C@H]1CC[C@H]2[C@@H](COc3ccc([N-]S(=O)(=O)c4ccc(C)cc4)cc3C(=O)N2C)O1 ZINC000095604537 562781052 /nfs/dbraw/zinc/78/10/52/562781052.db2.gz GYVRMNXHBKDJFJ-ZSOKXDGFSA-N -1 3 593.702 3.892 1 0 KHAFHM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)C(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605968 562781842 /nfs/dbraw/zinc/78/18/42/562781842.db2.gz YJEITIRWMUEULI-CUMGAWTLSA-N -1 3 796.917 3.551 1 0 KHAFHM CC[C@H](C)[C@H]([N-]C(=O)C(F)(F)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)NCc1ccccn1 ZINC000095605969 562781806 /nfs/dbraw/zinc/78/18/06/562781806.db2.gz YJEITIRWMUEULI-PKAIDYEGSA-N -1 3 796.917 3.551 1 0 KHAFHM Cc1nc(CN2CCN([C@H](C(=O)N[C@@H](Cc3ccccc3)[C@H](O)CN(CC(C)C)S(=O)(=O)c3ccc([N-]S(C)(=O)=O)cc3)C(C)C)C2=O)cs1 ZINC000095606747 562782391 /nfs/dbraw/zinc/78/23/91/562782391.db2.gz JFDGOOVRTCFBJB-QAXCHELISA-N -1 3 748.994 3.521 1 0 KHAFHM CC[C@H]1OC(=O)C(C)=C([O-])[C@H](C)[C@@H](O[C@@H]2O[C@H](O)C[C@H](N(C)C)[C@H]2O)[C@](C)(OC(=O)NCC=Cc2cnc3ccccc3c2)C[C@@H](C)C(=O)[C@H](C)[C@@H]2NC(=O)O[C@@]21C ZINC000095607330 562782748 /nfs/dbraw/zinc/78/27/48/562782748.db2.gz NVGYKJCWLWOFPF-UNNUABODSA-N -1 3 810.942 3.749 1 0 KHAFHM CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CCC(=O)[O-])C(C)C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000095608120 562783391 /nfs/dbraw/zinc/78/33/91/562783391.db2.gz QTKZEBANNJWQOX-WZFFGLSISA-N -1 3 747.734 3.615 1 0 KHAFHM CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)N(CCc1ccccc1)CCc1ccccc1)C(=O)[O-] ZINC000095608182 562783412 /nfs/dbraw/zinc/78/34/12/562783412.db2.gz IKPSCKXJUUTDIY-IGMOWHQGSA-N -1 3 763.936 3.666 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCCn3cc(F)c(=O)[n-]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095612382 562785447 /nfs/dbraw/zinc/78/54/47/562785447.db2.gz CGMRTAQVUOUPAM-XWTAYPJGSA-N -1 3 759.784 3.964 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCCn3cc(F)c(=O)[n-]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095612383 562785452 /nfs/dbraw/zinc/78/54/52/562785452.db2.gz CGMRTAQVUOUPAM-NBFLXSDQSA-N -1 3 759.784 3.964 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCCn3cc(F)c(=O)[n-]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095612384 562785449 /nfs/dbraw/zinc/78/54/49/562785449.db2.gz CGMRTAQVUOUPAM-BKLSGXAWSA-N -1 3 759.784 3.964 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCCn3cc(F)c(=O)[n-]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095612385 562785438 /nfs/dbraw/zinc/78/54/38/562785438.db2.gz CGMRTAQVUOUPAM-PCJMWZGYSA-N -1 3 759.784 3.964 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](Cc3ccccc3)C(=O)OCCCCCn3cc(F)c(=O)[n-]c3=O)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095612527 562785596 /nfs/dbraw/zinc/78/55/96/562785596.db2.gz FUVNJQGRPYMMFD-HXMQZLQYSA-N -1 3 745.757 3.718 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCn3cc(F)c(=O)[n-]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095614486 562786660 /nfs/dbraw/zinc/78/66/60/562786660.db2.gz CWRUGYIXKOTLMS-NCNPDKQGSA-N -1 3 745.757 3.574 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@H](C(=O)OCCCn3cc(F)c(=O)[n-]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095614487 562786663 /nfs/dbraw/zinc/78/66/63/562786663.db2.gz CWRUGYIXKOTLMS-VTWVTAOZSA-N -1 3 745.757 3.574 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCn3cc(F)c(=O)[n-]c3=O)[C@@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095614488 562786646 /nfs/dbraw/zinc/78/66/46/562786646.db2.gz CWRUGYIXKOTLMS-XVIZZRIOSA-N -1 3 745.757 3.574 1 0 KHAFHM COc1cc([C@@H]2c3cc4c(cc3[C@@H](N[C@@H](C(=O)OCCCn3cc(F)c(=O)[n-]c3=O)[C@H](C)Cc3ccccc3)[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1O ZINC000095614489 562786658 /nfs/dbraw/zinc/78/66/58/562786658.db2.gz CWRUGYIXKOTLMS-HHSVLNCDSA-N -1 3 745.757 3.574 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nn[n-]n2)c1)c1cc(I)cc(C(=O)N2COC[C@@H]2c2ccc(F)cc2)n1 ZINC000095615740 562787518 /nfs/dbraw/zinc/78/75/18/562787518.db2.gz CNPPSYRJSKDYBM-OYFGVDPJSA-N -1 3 762.540 3.517 1 0 KHAFHM O=C(N[C@@H](Cc1ccccc1)[C@H](O)C(=O)Nc1cccc(-c2nnn[n-]2)c1)c1cc(I)cc(C(=O)N2COC[C@@H]2c2ccc(F)cc2)n1 ZINC000095615740 562787517 /nfs/dbraw/zinc/78/75/17/562787517.db2.gz CNPPSYRJSKDYBM-OYFGVDPJSA-N -1 3 762.540 3.517 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCCCCC[C@H]3N(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000095616082 562787788 /nfs/dbraw/zinc/78/77/88/562787788.db2.gz ZCUIZJVMDINRRB-PZJWPPBQSA-N -1 3 576.672 3.903 1 0 KHAFHM C[C@@H](CO)N1C[C@H](C)[C@H](CN(C)C)OCCCC[C@@H](C)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095753959 562788882 /nfs/dbraw/zinc/78/88/82/562788882.db2.gz KDWFAOIYLGHTDK-WENLUUPESA-N -1 3 579.735 3.984 1 0 KHAFHM C[C@H](CO)N1C[C@@H](C)[C@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2C1=O ZINC000095859620 562789690 /nfs/dbraw/zinc/78/96/90/562789690.db2.gz HNJPENFTPWWMIT-KFDHSVMUSA-N -1 3 640.155 3.821 1 0 KHAFHM O=C(C[C@H]1C[C@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)NCc1ccc(Cl)cc1 ZINC000095900747 562790265 /nfs/dbraw/zinc/79/02/65/562790265.db2.gz RQEGAPRBBMLFLJ-DJOAJLSESA-N -1 3 561.031 3.981 1 0 KHAFHM O=C(C[C@@H]1C[C@H]2c3cc([N-]S(=O)(=O)c4ccc(F)cc4)ccc3O[C@H]2[C@H](CO)O1)N1CCc2ccccc2C1 ZINC000095902146 562790320 /nfs/dbraw/zinc/79/03/20/562790320.db2.gz RHYJRBPAXZYDBS-JZRJJGTOSA-N -1 3 552.624 3.596 1 0 KHAFHM COc1ccc([C@@]23Oc4cc(OC)cc([O-])c4C(=O)[C@]2(O)OC[C@@H]3/C=C/c2cc(OC)c(OC)cc2OC)cc1 ZINC000095912029 560057602 /nfs/dbraw/zinc/05/76/02/560057602.db2.gz XGWDQUCPQMERCP-WEKIXTCTSA-N -1 3 550.560 3.954 1 0 biogenic,in-vitro KHAFHM Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3cccc(S(=O)(=O)N4CCNCC4)c3)nc12 ZINC000096167782 562790568 /nfs/dbraw/zinc/79/05/68/562790568.db2.gz RAQZOOPSAMUJJC-UHFFFAOYSA-N -1 3 511.007 3.697 1 0 KHAFHM Cc1cc(-c2ccc([O-])c(F)c2)cc2nnc(Nc3ccc(S(=O)(=O)NCCN4CCCC4)cc3)nc12 ZINC000096167816 562790679 /nfs/dbraw/zinc/79/06/79/562790679.db2.gz CZMKAAZRVOBKJI-UHFFFAOYSA-N -1 3 522.606 3.963 1 0 KHAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000096174511 562791836 /nfs/dbraw/zinc/79/18/36/562791836.db2.gz CTFVUYDEBWSIDJ-NSHDSACASA-N -1 3 538.005 3.732 1 0 KHAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3CC3)[nH]c2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000096174511 562791835 /nfs/dbraw/zinc/79/18/35/562791835.db2.gz CTFVUYDEBWSIDJ-NSHDSACASA-N -1 3 538.005 3.732 1 0 KHAFHM CCOCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270962 562793597 /nfs/dbraw/zinc/79/35/97/562793597.db2.gz MXLSTDMUPFTWHA-AWEZNQCLSA-N -1 3 521.533 3.836 1 0 KHAFHM CCOCCCOc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096270963 562793603 /nfs/dbraw/zinc/79/36/03/562793603.db2.gz MXLSTDMUPFTWHA-CQSZACIVSA-N -1 3 521.533 3.836 1 0 KHAFHM COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3nc(N)[nH]c3c2)n1 ZINC000096283212 562794785 /nfs/dbraw/zinc/79/47/85/562794785.db2.gz VONRMZQOIJRIBX-UHFFFAOYSA-N -1 3 516.558 3.942 1 0 KHAFHM COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)[O-])c(C(=O)Nc2ccc3[nH]c(N)nc3c2)n1 ZINC000096283212 562794784 /nfs/dbraw/zinc/79/47/84/562794784.db2.gz VONRMZQOIJRIBX-UHFFFAOYSA-N -1 3 516.558 3.942 1 0 KHAFHM COC(=O)CCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286086 562796028 /nfs/dbraw/zinc/79/60/28/562796028.db2.gz OCBMMARXKZJQOI-LBPRGKRZSA-N -1 3 537.557 3.686 1 0 KHAFHM COC(=O)CCSc1nc(C(F)(F)F)ccc1CNC(=O)[C@H](C)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096286087 562796031 /nfs/dbraw/zinc/79/60/31/562796031.db2.gz OCBMMARXKZJQOI-GFCCVEGCSA-N -1 3 537.557 3.686 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCCCCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000096901340 562797073 /nfs/dbraw/zinc/79/70/73/562797073.db2.gz ZCUIZJVMDINRRB-FPOVZHCZSA-N -1 3 576.672 3.903 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCCCCC[C@H]3N(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000096901341 562797080 /nfs/dbraw/zinc/79/70/80/562797080.db2.gz ZCUIZJVMDINRRB-TZIWHRDSSA-N -1 3 576.672 3.903 1 0 KHAFHM CC(=O)Nc1ccc(CCCC[C@@H]2C[C@@H]3C[C@]4(O2)O[C@H](CCC4(C)C)CC(=O)O[C@@H](CO)CC(=O)O3)cc1[O-] ZINC000096910111 562799831 /nfs/dbraw/zinc/79/98/31/562799831.db2.gz VBVNCTKBGHFPHV-CEMXZPMNSA-N -1 3 547.645 3.754 1 0 KHAFHM CCOC(=O)Cn1ncc2c1ncnc2Nc1ccc([N-]S(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000096914181 562800757 /nfs/dbraw/zinc/80/07/57/562800757.db2.gz MEXYYRFHLPOBGE-UHFFFAOYSA-N -1 3 531.392 3.696 1 0 KHAFHM CCCOc1ccc(S(=O)(=O)NCCN(CC)CC)cc1-c1nc(C(C)C)c(Br)c(=O)[n-]1 ZINC000096916029 562801176 /nfs/dbraw/zinc/80/11/76/562801176.db2.gz YKIMYROBNZZIQH-UHFFFAOYSA-N -1 3 529.501 3.732 1 0 KHAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCCO)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939132 562804698 /nfs/dbraw/zinc/80/46/98/562804698.db2.gz IAXVONPPAFXJOO-LBPRGKRZSA-N -1 3 509.547 3.505 1 0 KHAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCCO)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939133 562804701 /nfs/dbraw/zinc/80/47/01/562804701.db2.gz IAXVONPPAFXJOO-GFCCVEGCSA-N -1 3 509.547 3.505 1 0 KHAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCCN1CCOCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939134 562804713 /nfs/dbraw/zinc/80/47/13/562804713.db2.gz QNIVLSKBJLLBHF-INIZCTEOSA-N -1 3 578.654 3.845 1 0 KHAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1SCCCN1CCOCC1)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000096939135 562804690 /nfs/dbraw/zinc/80/46/90/562804690.db2.gz QNIVLSKBJLLBHF-MRXNPFEDSA-N -1 3 578.654 3.845 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3CCCCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000098065415 562805090 /nfs/dbraw/zinc/80/50/90/562805090.db2.gz YDSARQVEDLUCKQ-QUCCMNQESA-N -1 3 562.645 3.513 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCCCC[C@@H]3N(Cc3ccc(F)cc3)C1=O)[N-]2 ZINC000098065416 562805109 /nfs/dbraw/zinc/80/51/09/562805109.db2.gz YDSARQVEDLUCKQ-ICSRJNTNSA-N -1 3 562.645 3.513 1 0 KHAFHM O=C(COc1nc(-c2cccs2)nc2ccc(I)cc21)[N-]N1C(=O)c2ccccc2C1=O ZINC000098082114 562805205 /nfs/dbraw/zinc/80/52/05/562805205.db2.gz OWVSDHMLAUXKMH-UHFFFAOYSA-N -1 3 556.341 3.669 1 0 KHAFHM O=C([O-])C[C@H](CCC1CCN(C(=O)c2cccc(N=C3CC[C@H](O)CN3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057663 562806474 /nfs/dbraw/zinc/80/64/74/562806474.db2.gz RRYMQSFBOJUJEI-URXFXBBRSA-N -1 3 521.614 3.914 1 0 KHAFHM O=C([O-])C[C@H](CCC1CCN(C(=O)c2cccc(N=C3CC[C@@H](O)CN3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057665 562806455 /nfs/dbraw/zinc/80/64/55/562806455.db2.gz RRYMQSFBOJUJEI-XUZZJYLKSA-N -1 3 521.614 3.914 1 0 KHAFHM O=C([O-])C[C@@H](CCC1CCN(C(=O)c2cccc(N=C3CC[C@H](O)CN3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057667 562806452 /nfs/dbraw/zinc/80/64/52/562806452.db2.gz RRYMQSFBOJUJEI-QPPBQGQZSA-N -1 3 521.614 3.914 1 0 KHAFHM O=C([O-])C[C@@H](CCC1CCN(C(=O)c2cccc(N=C3CC[C@@H](O)CN3)c2)CC1)c1ccc2c(c1)OCO2 ZINC000100057670 562806500 /nfs/dbraw/zinc/80/65/00/562806500.db2.gz RRYMQSFBOJUJEI-ZJSXRUAMSA-N -1 3 521.614 3.914 1 0 KHAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@H]2CCCCC[C@H]21 ZINC000100084085 562806737 /nfs/dbraw/zinc/80/67/37/562806737.db2.gz RPERGIFYDAWWBO-FUHWJXTLSA-N -1 3 538.692 3.610 1 0 KHAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@H]2CCCCC[C@@H]21 ZINC000100084088 562806757 /nfs/dbraw/zinc/80/67/57/562806757.db2.gz RPERGIFYDAWWBO-WMZOPIPTSA-N -1 3 538.692 3.610 1 0 KHAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@@H]2CCCCC[C@H]21 ZINC000100084090 562806755 /nfs/dbraw/zinc/80/67/55/562806755.db2.gz RPERGIFYDAWWBO-SJLPKXTDSA-N -1 3 538.692 3.610 1 0 KHAFHM CC(C)(C)CCN1C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C(=O)[C@@H]2CCCCC[C@@H]21 ZINC000100084094 562806729 /nfs/dbraw/zinc/80/67/29/562806729.db2.gz RPERGIFYDAWWBO-AEFFLSMTSA-N -1 3 538.692 3.610 1 0 KHAFHM CC(C)(C)CC[C@]1(C)CN(C2CCC2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000100095131 562806826 /nfs/dbraw/zinc/80/68/26/562806826.db2.gz OPWWABYKLFKUKE-XMMPIXPASA-N -1 3 538.692 3.610 1 0 KHAFHM CC(C)CC[C@]1(C)CN(C2CCCC2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000100095145 562806798 /nfs/dbraw/zinc/80/67/98/562806798.db2.gz TXEOLWVIZKSKML-XMMPIXPASA-N -1 3 538.692 3.610 1 0 in-vitro KHAFHM CC(C)CC[C@]1(C)CN(c2ccccc2)C(=O)C(=C2[N-]S(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)C1=O ZINC000100095151 562806802 /nfs/dbraw/zinc/80/68/02/562806802.db2.gz XUJSNTXMSWUNBZ-RUZDIDTESA-N -1 3 546.671 3.872 1 0 KHAFHM CC(C)(C)[C@H]1C(=O)C(C2=NS(=O)(=O)c3cc([N-]S(C)(=O)=O)ccc32)C(=O)N1Cc1ccc(F)c(Cl)c1 ZINC000100425064 562807042 /nfs/dbraw/zinc/80/70/42/562807042.db2.gz QYPAXFRHSKVNMQ-OAQYLSRUSA-N -1 3 556.037 3.611 1 0 KHAFHM CN(Cc1cccc2c1S(=O)(=O)C=C2C1=C([O-])[C@H](C(C)(C)C)N(CCC(C)(C)C)C1=O)S(C)(=O)=O ZINC000100425132 562807046 /nfs/dbraw/zinc/80/70/46/562807046.db2.gz KJJAAEYGJXGBMQ-JOCHJYFZSA-N -1 3 524.705 3.711 1 0 KHAFHM Nc1cc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H](Cc2ccc(Cl)c(Cl)c2)[N-]S(=O)(=O)Cc2ccccc2)cs1 ZINC000100798748 562807958 /nfs/dbraw/zinc/80/79/58/562807958.db2.gz GUMYXHIUQUSDIR-PKTZIBPZSA-N -1 3 595.574 3.975 1 0 KHAFHM O=c1c(=O)c(Nc2ccc(Cl)c(S(=O)(=O)N3CCC(N4CCCCC4)CC3)c2[O-])c1Nc1ccccc1 ZINC000101113453 562809278 /nfs/dbraw/zinc/80/92/78/562809278.db2.gz DSHSUADDEKHVAR-UHFFFAOYSA-N -1 3 545.061 3.768 1 0 KHAFHM CC(C)(C)CCN1C(=O)C(C2=CS(=O)(=O)c3cc(NS(C)(=O)=O)ccc3N2)=C([O-])[C@@H]1C(C)(C)C ZINC000101294410 562810249 /nfs/dbraw/zinc/81/02/49/562810249.db2.gz GXOQIGPYISLRPV-HXUWFJFHSA-N -1 3 511.666 3.604 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000101564122 562811322 /nfs/dbraw/zinc/81/13/22/562811322.db2.gz UFHDUANWFPVMKU-UHFFFAOYSA-N -1 3 533.532 3.960 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000101564122 562811321 /nfs/dbraw/zinc/81/13/21/562811321.db2.gz UFHDUANWFPVMKU-UHFFFAOYSA-N -1 3 533.532 3.960 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3nncc-3c(O)n2-c2cccc(C(F)(F)F)c2)cc1OC ZINC000101564122 562811320 /nfs/dbraw/zinc/81/13/20/562811320.db2.gz UFHDUANWFPVMKU-UHFFFAOYSA-N -1 3 533.532 3.960 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1OC ZINC000101565364 562811329 /nfs/dbraw/zinc/81/13/29/562811329.db2.gz UWFYCGPULTWOTM-UHFFFAOYSA-N -1 3 514.007 3.903 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(C)c(Cl)c2)cc1OC ZINC000101565364 562811328 /nfs/dbraw/zinc/81/13/28/562811328.db2.gz UWFYCGPULTWOTM-UHFFFAOYSA-N -1 3 514.007 3.903 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3nncc-3c(O)n2-c2ccc(C)c(Cl)c2)cc1OC ZINC000101565364 562811327 /nfs/dbraw/zinc/81/13/27/562811327.db2.gz UWFYCGPULTWOTM-UHFFFAOYSA-N -1 3 514.007 3.903 1 0 KHAFHM COc1ccc(CNC(=O)CSc2nc3nncc-3c([O-])n2-c2ccccc2Br)cc1 ZINC000101587446 562811364 /nfs/dbraw/zinc/81/13/64/562811364.db2.gz YEKUNKQWOSXGQC-UHFFFAOYSA-N -1 3 500.378 3.652 1 0 KHAFHM COc1ccc(CNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2Br)cc1 ZINC000101587446 562811362 /nfs/dbraw/zinc/81/13/62/562811362.db2.gz YEKUNKQWOSXGQC-UHFFFAOYSA-N -1 3 500.378 3.652 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(Br)cc2)cc1OC ZINC000101639923 562811465 /nfs/dbraw/zinc/81/14/65/562811465.db2.gz PCIOIKIWRSRWBQ-UHFFFAOYSA-N -1 3 544.431 3.703 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(Br)cc2)cc1OC ZINC000101639923 562811464 /nfs/dbraw/zinc/81/14/64/562811464.db2.gz PCIOIKIWRSRWBQ-UHFFFAOYSA-N -1 3 544.431 3.703 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@H]3CCC[C@H]3N(Cc3cccc(C(F)(F)F)c3)C1=O)[N-]2 ZINC000101671750 562811676 /nfs/dbraw/zinc/81/16/76/562811676.db2.gz IGHACRGAKWRGTC-FUHWJXTLSA-N -1 3 584.598 3.613 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3nncc-3c([O-])n2-c2ccccc2Br)cc1OC ZINC000101823364 562812227 /nfs/dbraw/zinc/81/22/27/562812227.db2.gz XUMMTBZDNDZNOM-UHFFFAOYSA-N -1 3 544.431 3.703 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3nncc-3c(O)n2-c2ccccc2Br)cc1OC ZINC000101823364 562812226 /nfs/dbraw/zinc/81/22/26/562812226.db2.gz XUMMTBZDNDZNOM-UHFFFAOYSA-N -1 3 544.431 3.703 1 0 KHAFHM COc1ccc(CCNC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2Br)cc1OC ZINC000101823364 562812224 /nfs/dbraw/zinc/81/22/24/562812224.db2.gz XUMMTBZDNDZNOM-UHFFFAOYSA-N -1 3 544.431 3.703 1 0 KHAFHM CC(C)CCc1c2ccccc2c(O)c2c1OCN1C2=Nc2ccc([N-]S(C)(=O)=O)cc2S1(=O)=O ZINC000101849173 562812282 /nfs/dbraw/zinc/81/22/82/562812282.db2.gz VFZXNEBHFDIPEN-UHFFFAOYSA-N -1 3 515.613 3.938 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(CC3CCCCC3)C1=O)[N-]2 ZINC000101985407 562812444 /nfs/dbraw/zinc/81/24/44/562812444.db2.gz QIMNZNGRMKLFLW-YBWWRTOPSA-N -1 3 562.714 3.610 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3N(Cc3ccc(C(F)(F)F)cc3)C1=O)[N-]2 ZINC000102003392 562812535 /nfs/dbraw/zinc/81/25/35/562812535.db2.gz JAQIFBJTESUWIB-RLHIPHHXSA-N -1 3 610.636 3.859 1 0 KHAFHM CS(=O)(=O)Nc1ccc2c(c1)S(=O)(=O)N=C(C1C(=O)[C@@H]3C4CCC(CC4)[C@@H]3N(Cc3ccc(F)c(F)c3F)C1=O)[N-]2 ZINC000102184411 562812900 /nfs/dbraw/zinc/81/29/00/562812900.db2.gz AVYBPUIMOZGJII-IAMDPBMTSA-N -1 3 610.636 3.647 1 0 KHAFHM Cc1ccc(N2CCN(C(=O)[C@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)C[C@@H]2C)cc1 ZINC000102265925 562813062 /nfs/dbraw/zinc/81/30/62/562813062.db2.gz VWQNIASRAKITME-RBTNQOKQSA-N -1 3 532.666 3.637 1 0 KHAFHM Cc1ccc(N2CCN(C(=O)[C@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)C[C@H]2C)cc1 ZINC000102265932 562813083 /nfs/dbraw/zinc/81/30/83/562813083.db2.gz VWQNIASRAKITME-LYZGTLIUSA-N -1 3 532.666 3.637 1 0 KHAFHM C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OC1CCCCC1 ZINC000103067514 562814191 /nfs/dbraw/zinc/81/41/91/562814191.db2.gz XCGBYBXSWSFSIN-RVXACUNMSA-N -1 3 605.556 3.535 1 0 KHAFHM C[C@H](N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1O)Oc1cccc2ccccc21)C(=O)OCCC(C)(C)C ZINC000103070308 562814230 /nfs/dbraw/zinc/81/42/30/562814230.db2.gz ZHNLISBGPCUCBE-ILXOOLGQSA-N -1 3 607.572 3.639 1 0 KHAFHM CCc1nc2ccn(C(=O)N3CCC[C@@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103188296 562815547 /nfs/dbraw/zinc/81/55/47/562815547.db2.gz CIFOYQONHPSYSM-AREMUKBSSA-N -1 3 593.692 3.957 1 0 KHAFHM CCc1nc2ccn(C(=O)N3CCC[C@@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103188296 562815546 /nfs/dbraw/zinc/81/55/46/562815546.db2.gz CIFOYQONHPSYSM-AREMUKBSSA-N -1 3 593.692 3.957 1 0 KHAFHM CCc1nc2ccn(C(=O)N3CCC[C@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1 ZINC000103188299 562815534 /nfs/dbraw/zinc/81/55/34/562815534.db2.gz CIFOYQONHPSYSM-SANMLTNESA-N -1 3 593.692 3.957 1 0 KHAFHM CCc1nc2ccn(C(=O)N3CCC[C@H]3C(=O)N(CC)CC)c(=O)c2n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000103188299 562815533 /nfs/dbraw/zinc/81/55/33/562815533.db2.gz CIFOYQONHPSYSM-SANMLTNESA-N -1 3 593.692 3.957 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl ZINC000103226189 562817752 /nfs/dbraw/zinc/81/77/52/562817752.db2.gz XWANZPPOLTWYHQ-UHFFFAOYSA-N -1 3 592.124 3.755 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl ZINC000103226191 562817784 /nfs/dbraw/zinc/81/77/84/562817784.db2.gz DHMDQCDJMIRJLX-UHFFFAOYSA-N -1 3 592.124 3.755 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2cc(=O)[nH]c3ccccc23)cc1Cl ZINC000103226194 562817747 /nfs/dbraw/zinc/81/77/47/562817747.db2.gz DSCYGIFZTREXGX-UHFFFAOYSA-N -1 3 592.124 3.755 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2cc3c(cc2Cl)OCO3)cc1Cl ZINC000103226212 562817755 /nfs/dbraw/zinc/81/77/55/562817755.db2.gz YWLQTOODWWWXLX-UHFFFAOYSA-N -1 3 617.558 3.973 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl ZINC000103230257 562818114 /nfs/dbraw/zinc/81/81/14/562818114.db2.gz CZKDNTPLZYTQGN-UHFFFAOYSA-N -1 3 525.077 3.913 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2cccc(S(N)(=O)=O)c2)c(SCc2ccccc2)cc1Cl ZINC000103230260 562818118 /nfs/dbraw/zinc/81/81/18/562818118.db2.gz XPSLXZPIPWWCQN-UHFFFAOYSA-N -1 3 525.077 3.913 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)Nc2ccccc2S(N)(=O)=O)c(SCc2ccccc2)cc1Cl ZINC000103230263 562818129 /nfs/dbraw/zinc/81/81/29/562818129.db2.gz VNDPGJWCVUNFCR-UHFFFAOYSA-N -1 3 525.077 3.913 1 0 KHAFHM Cc1cc(S(=O)(=O)[N-]C(=N)NCc2ccc(S(N)(=O)=O)cc2)c(SCc2ccccc2)cc1Cl ZINC000103230268 562818112 /nfs/dbraw/zinc/81/81/12/562818112.db2.gz HUBIZXSTLYFAFJ-UHFFFAOYSA-N -1 3 539.104 3.591 1 0 KHAFHM COc1ccc(S(=O)(=O)[N-]c2cc(-c3nn4c(C)nnc4c4ccccc43)ccc2N2CCN(C)CC2)cc1 ZINC000103239433 562819342 /nfs/dbraw/zinc/81/93/42/562819342.db2.gz APJDTDALQSVARU-UHFFFAOYSA-N -1 3 543.653 3.814 1 0 KHAFHM NCc1nnc2c3ccccc3c(-c3ccc(N4CCOCC4)c([N-]S(=O)(=O)c4ccc(Cl)cc4)c3)nn12 ZINC000103239438 562819333 /nfs/dbraw/zinc/81/93/33/562819333.db2.gz YWKGGSJBLDHNJY-UHFFFAOYSA-N -1 3 550.044 3.694 1 0 KHAFHM CCOC(=O)/C=C/c1cc(OC)c([O-])c(OC)c1/C(=C/c1cc(OC)c(O)c(OC)c1)C(=O)OCC ZINC000103265892 562822185 /nfs/dbraw/zinc/82/21/85/562822185.db2.gz MLRZUFJCNUOJIC-LFXKSGLVSA-N -1 3 502.516 3.812 1 0 KHAFHM C[C@@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(CCN(C)C)C3 ZINC000113834235 562826844 /nfs/dbraw/zinc/82/68/44/562826844.db2.gz BNPMMVDYMYENIM-HNNXBMFYSA-N -1 3 506.557 3.757 1 0 KHAFHM C[C@@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)CN(CCN(C)C)C3=O ZINC000113834235 562826843 /nfs/dbraw/zinc/82/68/43/562826843.db2.gz BNPMMVDYMYENIM-HNNXBMFYSA-N -1 3 506.557 3.757 1 0 KHAFHM C[C@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(CCN(C)C)C3 ZINC000113834237 562826823 /nfs/dbraw/zinc/82/68/23/562826823.db2.gz BNPMMVDYMYENIM-OAHLLOKOSA-N -1 3 506.557 3.757 1 0 KHAFHM C[C@H](Cc1cc(F)ccc1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)CN(CCN(C)C)C3=O ZINC000113834237 562826822 /nfs/dbraw/zinc/82/68/22/562826822.db2.gz BNPMMVDYMYENIM-OAHLLOKOSA-N -1 3 506.557 3.757 1 0 KHAFHM C[C@@H](Cc1c(F)c(F)cc(F)c1F)Nc1cc[nH]c(=O)c1-c1nc2cc3c(cc2[n-]1)C(=O)N(CCN(C)C)C3=O ZINC000113859202 562826840 /nfs/dbraw/zinc/82/68/40/562826840.db2.gz DPMQHTABGLRCQK-LBPRGKRZSA-N -1 3 556.520 3.675 1 0 KHAFHM CC(C)c1cc(-c2nn(COC(=O)[C@@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c([O-])cc1O ZINC000115807013 562829050 /nfs/dbraw/zinc/82/90/50/562829050.db2.gz ZEUIDAJZVWNTLS-DEOSSOPVSA-N -1 3 541.608 3.798 1 0 KHAFHM CC(C)c1cc(-c2nn(COC(=O)[C@H](N)Cc3ccccc3)c(=O)n2-c2ccc3c(ccn3C)c2)c([O-])cc1O ZINC000115807017 562829056 /nfs/dbraw/zinc/82/90/56/562829056.db2.gz ZEUIDAJZVWNTLS-XMMPIXPASA-N -1 3 541.608 3.798 1 0 KHAFHM CC(C)[C@@H]1C[C@H](O)[C@H](C)C[C@H](C)C[C@H](C)C(=O)NCC(=O)N(C)[C@H](Cc2ccc([O-])c(I)c2)C(=O)O1 ZINC000137463334 562831474 /nfs/dbraw/zinc/83/14/74/562831474.db2.gz AGOHOFZYIJTTKY-IMROQKSMSA-N -1 3 616.537 3.503 1 0 KHAFHM Cc1cc(-c2cc([O-])ccc2Cl)cc2nnc(Nc3cccc(S(=O)(=O)NCCN(C)C)c3)nc12 ZINC000137594051 562831510 /nfs/dbraw/zinc/83/15/10/562831510.db2.gz GFXCTQSIXXAOBE-UHFFFAOYSA-N -1 3 513.023 3.943 1 0 KHAFHM CC1(C)OC[C@H](C[C@H](CS(=O)(=O)c2ccc(Oc3ccc(OC(F)(F)F)cc3)cc2)N([O-])C=O)O1 ZINC000137896167 562831618 /nfs/dbraw/zinc/83/16/18/562831618.db2.gz GPQULZGUYNODGJ-BEFAXECRSA-N -1 3 519.494 3.909 1 0 KHAFHM COc1ccc(CCO)c(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(CN(C)C)cc2)c1 ZINC000138460356 562831954 /nfs/dbraw/zinc/83/19/54/562831954.db2.gz QICRPLPIAWYXAW-UHFFFAOYSA-N -1 3 507.616 3.779 1 0 KHAFHM CCc1cnc(-c2ccc(N3CCN(C(=O)CN4CC[C@@H](C(=O)Nc5ccc([O-])c(Cl)c5)C4)CC3)cc2)nc1 ZINC000138505281 562831983 /nfs/dbraw/zinc/83/19/83/562831983.db2.gz RMWIFGBVICWWOL-JOCHJYFZSA-N -1 3 549.075 3.674 1 0 KHAFHM CCC(CC)[C@@H]1C(=C([O-])c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267527 562832379 /nfs/dbraw/zinc/83/23/79/562832379.db2.gz NFBAEMGMHRZVNJ-DHIUTWEWSA-N -1 3 502.571 3.966 1 0 KHAFHM CCC(CC)[C@H]1C(=C([O-])c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267599 562832375 /nfs/dbraw/zinc/83/23/75/562832375.db2.gz NFBAEMGMHRZVNJ-PKTZIBPZSA-N -1 3 502.571 3.966 1 0 KHAFHM CCC(CC)[C@@H]1C(=C([O-])c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267677 562832412 /nfs/dbraw/zinc/83/24/12/562832412.db2.gz NFBAEMGMHRZVNJ-XZOQPEGZSA-N -1 3 502.571 3.966 1 0 KHAFHM CCC(CC)[C@H]1C(=C([O-])c2ccc(C(=O)N(C)C)cc2)C(=O)C(=O)N1c1ccc(-c2noc(C)n2)cc1 ZINC000139267774 562832433 /nfs/dbraw/zinc/83/24/33/562832433.db2.gz NFBAEMGMHRZVNJ-GOTSBHOMSA-N -1 3 502.571 3.966 1 0 KHAFHM O=C([O-])CCN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@@H]1O ZINC000145681931 562837485 /nfs/dbraw/zinc/83/74/85/562837485.db2.gz OMRKFJKDIIGSGA-QRWLVFNGSA-N -1 3 516.432 3.936 1 0 KHAFHM O=C([O-])CCN[C@@H]1COc2cc(-c3noc(-c4onc(-c5ccccc5)c4C(F)(F)F)n3)ccc2[C@H]1O ZINC000145683137 562837479 /nfs/dbraw/zinc/83/74/79/562837479.db2.gz OMRKFJKDIIGSGA-FOIQADDNSA-N -1 3 516.432 3.936 1 0 KHAFHM O=C(CN1CC[C@@H](C(=O)Nc2ccc([O-])c(Cl)c2)C1)N1CCN(c2ccc(-c3ccoc3)cc2)CC1 ZINC000148737509 562841734 /nfs/dbraw/zinc/84/17/34/562841734.db2.gz BBYFVGAOJBLRNL-HXUWFJFHSA-N -1 3 509.006 3.915 1 0 KHAFHM Cc1cccc(C(=O)N[C@@H](Cc2ccccc2C)C(=O)NCCCC[C@@H](CO)N(CC(C)C)S(=O)(=O)c2ccc(N)cc2)c1[O-] ZINC000148972977 562842053 /nfs/dbraw/zinc/84/20/53/562842053.db2.gz GIXNFUDXKSHSST-IZEXYCQBSA-N -1 3 638.831 3.927 1 0 KHAFHM CC[C@H]([N-]C(=O)C(F)(F)F)[C@H]1CC[C@H](N2CC(NC(=O)CNc3ncnc4ccc(C(F)(F)F)cc43)C2)CC1 ZINC000149200894 562842460 /nfs/dbraw/zinc/84/24/60/562842460.db2.gz MRQSVFIVYDBRRQ-YJLNNSPDSA-N -1 3 560.543 3.877 1 0 KHAFHM C[C@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)Oc2ccc([N-]S(=O)(=O)c3ccccc3)cc2CC1=O ZINC000150530022 562843794 /nfs/dbraw/zinc/84/37/94/562843794.db2.gz KYAHKDXWSROQEB-UMQWNRPGSA-N -1 3 636.192 3.611 1 0 KHAFHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N([C@H](C)CO)C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(Cl)cc2)O3)cc1 ZINC000150530956 562843801 /nfs/dbraw/zinc/84/38/01/562843801.db2.gz KHCWXUHJPVAIFP-IEOSBIPESA-N -1 3 650.219 3.919 1 0 KHAFHM CSc1cc(C(=O)N[C@H](C)c2ccccc2)nc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)c1 ZINC000150594183 562846515 /nfs/dbraw/zinc/84/65/15/562846515.db2.gz MZLGEXFGDCXLNV-OBBJCRILSA-N -1 3 636.738 3.815 1 0 KHAFHM CSc1cc(C(=O)N[C@H](C)c2ccccc2)nc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)c1 ZINC000150594183 562846514 /nfs/dbraw/zinc/84/65/14/562846514.db2.gz MZLGEXFGDCXLNV-OBBJCRILSA-N -1 3 636.738 3.815 1 0 KHAFHM CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc(C(=O)NC(C)(C)c2ccccc2)c1 ZINC000150594194 562846500 /nfs/dbraw/zinc/84/65/00/562846500.db2.gz XUQXUARIHURFFH-FIBWVYCGSA-N -1 3 648.724 3.666 1 0 KHAFHM CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc(C(=O)NC(C)(C)c2ccccc2)c1 ZINC000150594194 562846499 /nfs/dbraw/zinc/84/64/99/562846499.db2.gz XUQXUARIHURFFH-FIBWVYCGSA-N -1 3 648.724 3.666 1 0 KHAFHM CSc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc(C(=O)NC(C)(C)c2ccccc2)c1 ZINC000150594199 562846494 /nfs/dbraw/zinc/84/64/94/562846494.db2.gz BROBYFXDLWYRFR-WNJJXGMVSA-N -1 3 650.765 3.989 1 0 KHAFHM CSc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc(C(=O)NC(C)(C)c2ccccc2)c1 ZINC000150594199 562846493 /nfs/dbraw/zinc/84/64/93/562846493.db2.gz BROBYFXDLWYRFR-WNJJXGMVSA-N -1 3 650.765 3.989 1 0 KHAFHM CCCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000150594208 562846521 /nfs/dbraw/zinc/84/65/21/562846521.db2.gz USGHUJNJTUAQRJ-YXQUNVLPSA-N -1 3 676.734 3.562 1 0 KHAFHM CCCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)nc(C(=O)N2COC[C@@H]2c2ccccc2)c1 ZINC000150594208 562846520 /nfs/dbraw/zinc/84/65/20/562846520.db2.gz USGHUJNJTUAQRJ-YXQUNVLPSA-N -1 3 676.734 3.562 1 0 KHAFHM O=C(NC(c1ccccc1)c1ccccc1)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nn[n-]n3)c2)o1 ZINC000150594337 562846533 /nfs/dbraw/zinc/84/65/33/562846533.db2.gz IQNBMMIJWHOHPX-ZQAZVOLISA-N -1 3 669.698 3.680 1 0 KHAFHM O=C(NC(c1ccccc1)c1ccccc1)c1cc(=O)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000150594337 562846532 /nfs/dbraw/zinc/84/65/32/562846532.db2.gz IQNBMMIJWHOHPX-ZQAZVOLISA-N -1 3 669.698 3.680 1 0 KHAFHM COc1c([N-]S(C)(=O)=O)cc(C(F)(F)F)cc1NC(=O)c1ccc(C)c(Nc2ncnc3cnc(N4CCN(C)CC4)nc32)c1 ZINC000165271026 562850024 /nfs/dbraw/zinc/85/00/24/562850024.db2.gz YSLAOSWWHUCFNZ-UHFFFAOYSA-N -1 3 645.668 3.875 1 0 KHAFHM Cc1ccc(N2CCN(C(=O)[C@@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)C[C@H]2C)cc1 ZINC000168085220 562851255 /nfs/dbraw/zinc/85/12/55/562851255.db2.gz VWQNIASRAKITME-PIKZIKFNSA-N -1 3 532.666 3.637 1 0 KHAFHM Cc1ccc(N2CCN(C(=O)[C@@H]([N-]S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ccccc3)C[C@@H]2C)cc1 ZINC000168085331 562851247 /nfs/dbraw/zinc/85/12/47/562851247.db2.gz VWQNIASRAKITME-KMRXNPHXSA-N -1 3 532.666 3.637 1 0 KHAFHM COc1ccnc(NCCCOc2ccc(C[C@@H](CC(=O)[O-])NS(=O)(=O)c3ccc(C)cc3)cc2)c1 ZINC000169308563 562854143 /nfs/dbraw/zinc/85/41/43/562854143.db2.gz NEEFZJDFXACOOY-NRFANRHFSA-N -1 3 513.616 3.644 1 0 KHAFHM Cc1ccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C ZINC000169316237 562855813 /nfs/dbraw/zinc/85/58/13/562855813.db2.gz UEHGTCRCHJEZIN-JDIHBLRXSA-N -1 3 672.889 3.548 1 0 KHAFHM Cc1cc(C[C@@H]([NH3+])C(=O)[O-])cc(I)c1Oc1ccc([O-])c(I)c1 ZINC000169342210 562860946 /nfs/dbraw/zinc/86/09/46/562860946.db2.gz RWDZYQIFPJJBHE-CYBMUJFWSA-N -1 3 539.107 3.657 1 0 KHAFHM [NH3+][C@H](Cc1cc(I)c(Cc2ccc([O-])c(I)c2)c(I)c1)C(=O)[O-] ZINC000169346251 562861729 /nfs/dbraw/zinc/86/17/29/562861729.db2.gz DSBHIDNJTDGVEL-CQSZACIVSA-N -1 3 649.004 3.751 1 0 KHAFHM Cc1c([O-])ccc2c(NCCN3CCOCC3)c(NC(=O)c3ccc4c(c3)CCC(C)(C)O4)c(=O)oc12 ZINC000169349095 562862423 /nfs/dbraw/zinc/86/24/23/562862423.db2.gz UCNIODWTJWXITC-UHFFFAOYSA-N -1 3 507.587 3.907 1 0 KHAFHM CS(=O)(=O)Cn1ccc([N-]c2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)n2)n1 ZINC000169350842 562862928 /nfs/dbraw/zinc/86/29/28/562862928.db2.gz ACUDHDKRSYSSKI-UHFFFAOYSA-N -1 3 583.577 3.847 1 0 KHAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000169692946 562865160 /nfs/dbraw/zinc/86/51/60/562865160.db2.gz CNWZAPSUIANDKJ-ZQTBNDFDSA-N -1 3 626.798 3.956 1 0 KHAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-] ZINC000169692948 562865170 /nfs/dbraw/zinc/86/51/70/562865170.db2.gz CNWZAPSUIANDKJ-DYTOPAQESA-N -1 3 626.798 3.956 1 0 KHAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2)n1 ZINC000169694651 562865484 /nfs/dbraw/zinc/86/54/84/562865484.db2.gz FEUWQLUDYIFIPD-LBPRGKRZSA-N -1 3 520.015 3.592 1 0 KHAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3(C)CC3)nc2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694669 562865538 /nfs/dbraw/zinc/86/55/38/562865538.db2.gz YNMUPDMDSKNHHL-LBPRGKRZSA-N -1 3 552.032 3.906 1 0 KHAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cc(Cl)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694669 562865537 /nfs/dbraw/zinc/86/55/37/562865537.db2.gz YNMUPDMDSKNHHL-LBPRGKRZSA-N -1 3 552.032 3.906 1 0 KHAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2[nH]c(C3(C)CC3)nc2-c2cc(C)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694670 562865572 /nfs/dbraw/zinc/86/55/72/562865572.db2.gz RXVJOHHWPJUJPH-AWEZNQCLSA-N -1 3 531.614 3.561 1 0 KHAFHM COC(=O)N[C@@H](C)CNc1nccc(-c2nc(C3(C)CC3)[nH]c2-c2cc(C)cc([N-]S(C)(=O)=O)c2F)n1 ZINC000169694670 562865571 /nfs/dbraw/zinc/86/55/71/562865571.db2.gz RXVJOHHWPJUJPH-AWEZNQCLSA-N -1 3 531.614 3.561 1 0 KHAFHM CCCS(=O)(=O)[N-]c1cccc(-c2[nH]c(C3CC3)nc2-c2ccnc(NC[C@H](C)NC(=O)OC)n2)c1F ZINC000169694696 562865588 /nfs/dbraw/zinc/86/55/88/562865588.db2.gz ZXNBJUUFIKPXGS-AWEZNQCLSA-N -1 3 531.614 3.858 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695109 562865716 /nfs/dbraw/zinc/86/57/16/562865716.db2.gz BNFWNIHEMYQOBE-DNQXCXABSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695110 562865663 /nfs/dbraw/zinc/86/56/63/562865663.db2.gz BNFWNIHEMYQOBE-BJKOFHAPSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695111 562865648 /nfs/dbraw/zinc/86/56/48/562865648.db2.gz BNFWNIHEMYQOBE-RPWUZVMVSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4cc(OC)ccc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695112 562865643 /nfs/dbraw/zinc/86/56/43/562865643.db2.gz BNFWNIHEMYQOBE-ZEQRLZLVSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695113 562865703 /nfs/dbraw/zinc/86/57/03/562865703.db2.gz MILBEHPYZMEKGY-DNQXCXABSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695114 562865675 /nfs/dbraw/zinc/86/56/75/562865675.db2.gz MILBEHPYZMEKGY-BJKOFHAPSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695115 562865708 /nfs/dbraw/zinc/86/57/08/562865708.db2.gz MILBEHPYZMEKGY-RPWUZVMVSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3nc4ccc(OC)cc4s3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695116 562865666 /nfs/dbraw/zinc/86/56/66/562865666.db2.gz MILBEHPYZMEKGY-ZEQRLZLVSA-N -1 3 532.574 3.841 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695117 562865685 /nfs/dbraw/zinc/86/56/85/562865685.db2.gz QPHUBOVRINGSEE-CLJLJLNGSA-N -1 3 512.518 3.877 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@@H]2c2ccccc2OCCO)cc1 ZINC000169695118 562865773 /nfs/dbraw/zinc/86/57/73/562865773.db2.gz QPHUBOVRINGSEE-IZZNHLLZSA-N -1 3 512.518 3.877 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695119 562865727 /nfs/dbraw/zinc/86/57/27/562865727.db2.gz QPHUBOVRINGSEE-FTJBHMTQSA-N -1 3 512.518 3.877 1 0 KHAFHM COc1ccc(C([O-])=C2C(=O)C(=O)N(c3ccc(-c4ccon4)cc3)[C@H]2c2ccccc2OCCO)cc1 ZINC000169695120 562865782 /nfs/dbraw/zinc/86/57/82/562865782.db2.gz QPHUBOVRINGSEE-UIOOFZCWSA-N -1 3 512.518 3.877 1 0 KHAFHM CC(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696246 562865924 /nfs/dbraw/zinc/86/59/24/562865924.db2.gz HESLXJADZGNEMT-JWQCQUIFSA-N -1 3 507.608 3.893 1 0 KHAFHM CC(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@@H]1c1ccccc1OCC(CO)CO ZINC000169696247 562865920 /nfs/dbraw/zinc/86/59/20/562865920.db2.gz HESLXJADZGNEMT-LOSJGSFVSA-N -1 3 507.608 3.893 1 0 KHAFHM CC(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696248 562865948 /nfs/dbraw/zinc/86/59/48/562865948.db2.gz HESLXJADZGNEMT-RPBOFIJWSA-N -1 3 507.608 3.893 1 0 KHAFHM CC(C)C(=O)C1=C([O-])C(=O)N(c2ccc(-c3ccsc3)cc2)[C@H]1c1ccccc1OCC(CO)CO ZINC000169696249 562865956 /nfs/dbraw/zinc/86/59/56/562865956.db2.gz HESLXJADZGNEMT-DQEYMECFSA-N -1 3 507.608 3.893 1 0 KHAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696365 562866014 /nfs/dbraw/zinc/86/60/14/562866014.db2.gz MKEQDRVBAFRSIA-DQEYMECFSA-N -1 3 502.571 3.770 1 0 KHAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696366 562866028 /nfs/dbraw/zinc/86/60/28/562866028.db2.gz MKEQDRVBAFRSIA-RPBOFIJWSA-N -1 3 502.571 3.770 1 0 KHAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696367 562866008 /nfs/dbraw/zinc/86/60/08/562866008.db2.gz MKEQDRVBAFRSIA-LOSJGSFVSA-N -1 3 502.571 3.770 1 0 KHAFHM Cc1nc(-c2ccc(N3C(=O)C([O-])=C(C(=O)CC(C)C)[C@H]3c3ccccc3N3CCOCC3)cc2)no1 ZINC000169696368 562866010 /nfs/dbraw/zinc/86/60/10/562866010.db2.gz MKEQDRVBAFRSIA-JWQCQUIFSA-N -1 3 502.571 3.770 1 0 KHAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696727 562866309 /nfs/dbraw/zinc/86/63/09/562866309.db2.gz OQUMQPXIQFTAHR-RPBOFIJWSA-N -1 3 502.567 3.818 1 0 KHAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696728 562866327 /nfs/dbraw/zinc/86/63/27/562866327.db2.gz OQUMQPXIQFTAHR-DQEYMECFSA-N -1 3 502.567 3.818 1 0 KHAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696729 562866325 /nfs/dbraw/zinc/86/63/25/562866325.db2.gz OQUMQPXIQFTAHR-JWQCQUIFSA-N -1 3 502.567 3.818 1 0 KHAFHM Cc1ccc(-c2ccc(N3C(=O)C([O-])=C(C(=O)C(C)C)[C@H]3c3ccccc3C(=O)N(C)CCO)cc2)o1 ZINC000169696730 562866300 /nfs/dbraw/zinc/86/63/00/562866300.db2.gz OQUMQPXIQFTAHR-LOSJGSFVSA-N -1 3 502.567 3.818 1 0 KHAFHM N=C(CCCCc1nnc(NC(=O)Cc2cccc(OCCN3CCOCC3)c2)s1)SC(=N)[N-]C(=O)Cc1cccc(OCCN2CCOCC2)c1 ZINC000169698056 562866878 /nfs/dbraw/zinc/86/68/78/562866878.db2.gz ZFSOQQMUMPFGAF-UHFFFAOYSA-N -1 3 752.964 3.858 1 0 KHAFHM CS(=O)(=O)[N-]C(=O)[C@@H]1NC2(CCCCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F ZINC000169700258 562867670 /nfs/dbraw/zinc/86/76/70/562867670.db2.gz AVQYUHKLFSSGRH-MFSJNOQSSA-N -1 3 540.444 3.857 1 0 KHAFHM CC(C)c1nn(-c2ccc(C(N)=O)c(NC3CCN(C(=O)c4cc(=O)[n-]c(=O)[nH]4)CC3)c2)c2nccc(-c3cnc4ccccc4c3)c12 ZINC000169703493 562868810 /nfs/dbraw/zinc/86/88/10/562868810.db2.gz RHCQNZPGQCKCHY-UHFFFAOYSA-N -1 3 643.708 3.951 1 0 KHAFHM CS(=O)(=O)[N-]c1ccc(CNC(=O)N[C@@H]2CC(CF)(CF)Oc3c(F)c(Cl)ccc32)cc1F ZINC000169704436 562868962 /nfs/dbraw/zinc/86/89/62/562868962.db2.gz XVZQQMZAZPDIJK-MRXNPFEDSA-N -1 3 509.909 3.991 1 0 KHAFHM CS(=O)(=O)[N-]c1nc(-c2ccn3c(c2)ncc3-c2cccc(NC(=O)NCC(F)(F)F)c2)ncc1F ZINC000169704721 562869155 /nfs/dbraw/zinc/86/91/55/562869155.db2.gz UECMCQUYFRUDBW-UHFFFAOYSA-N -1 3 523.472 3.653 1 0 KHAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1Cl ZINC000202732215 562873819 /nfs/dbraw/zinc/87/38/19/562873819.db2.gz LJEPCPMFBIQLLW-LADGPHEKSA-N -1 3 547.077 3.818 1 0 KHAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1ccccc1Cl ZINC000202732228 562873803 /nfs/dbraw/zinc/87/38/03/562873803.db2.gz LJEPCPMFBIQLLW-UPVQGACJSA-N -1 3 547.077 3.818 1 0 KHAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1Cl ZINC000202732245 562873861 /nfs/dbraw/zinc/87/38/61/562873861.db2.gz LJEPCPMFBIQLLW-ISKFKSNPSA-N -1 3 547.077 3.818 1 0 KHAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1ccccc1Cl ZINC000202732258 562873842 /nfs/dbraw/zinc/87/38/42/562873842.db2.gz LJEPCPMFBIQLLW-VWNXMTODSA-N -1 3 547.077 3.818 1 0 KHAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000204113043 562874342 /nfs/dbraw/zinc/87/43/42/562874342.db2.gz RXIFNSWHALHAPP-BJKOFHAPSA-N -1 3 547.077 3.818 1 0 KHAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@@H]1Cc1cccc(Cl)c1 ZINC000204113059 562874359 /nfs/dbraw/zinc/87/43/59/562874359.db2.gz RXIFNSWHALHAPP-ZEQRLZLVSA-N -1 3 547.077 3.818 1 0 KHAFHM CCOC(=O)N[C@@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000204113073 562874325 /nfs/dbraw/zinc/87/43/25/562874325.db2.gz RXIFNSWHALHAPP-DNQXCXABSA-N -1 3 547.077 3.818 1 0 KHAFHM CCOC(=O)N[C@H]1CCc2ccc(OCC[N-]S(=O)(=O)c3cn(C)cn3)cc2[C@H]1Cc1cccc(Cl)c1 ZINC000204113087 562874355 /nfs/dbraw/zinc/87/43/55/562874355.db2.gz RXIFNSWHALHAPP-RPWUZVMVSA-N -1 3 547.077 3.818 1 0 KHAFHM O=S(=O)([N-]c1ncns1)c1cc(F)c(OC[C@@]2(F)CNCC[C@H]2c2ccc(F)cc2)cc1F ZINC000205510455 562875469 /nfs/dbraw/zinc/87/54/69/562875469.db2.gz YKHBPEAAJKQFPN-XOBRGWDASA-N -1 3 502.515 3.620 1 0 KHAFHM O=S(=O)([N-]c1ncns1)c1cc(F)c(OC[C@@]2(F)CNCC[C@@H]2c2ccc(F)cc2)cc1F ZINC000205510470 562875472 /nfs/dbraw/zinc/87/54/72/562875472.db2.gz YKHBPEAAJKQFPN-VLIAUNLRSA-N -1 3 502.515 3.620 1 0 KHAFHM O=S(=O)([N-]c1ncns1)c1cc(F)c(OC[C@]2(F)CNCC[C@H]2c2ccc(F)cc2)cc1F ZINC000205510483 562875510 /nfs/dbraw/zinc/87/55/10/562875510.db2.gz YKHBPEAAJKQFPN-VBKZILBWSA-N -1 3 502.515 3.620 1 0 KHAFHM O=S(=O)([N-]c1ncns1)c1cc(F)c(OC[C@]2(F)CNCC[C@@H]2c2ccc(F)cc2)cc1F ZINC000205510498 562875464 /nfs/dbraw/zinc/87/54/64/562875464.db2.gz YKHBPEAAJKQFPN-JLTOFOAXSA-N -1 3 502.515 3.620 1 0 KHAFHM CNS(=O)(=O)[N-]C(=O)c1cc(C2CC2)c(OCC2CN(C(c3ccccc3)c3ccccc3)C2)cc1F ZINC000216269380 562877482 /nfs/dbraw/zinc/87/74/82/562877482.db2.gz QFYJMLIZYGHXGQ-UHFFFAOYSA-N -1 3 523.630 3.997 1 0 KHAFHM C[C@@H]1CN(CC(=O)N2CCc3c4ccccc4n(Cc4ccc(Cl)s4)c3C2)C[C@H](C)N1CC(=O)[O-] ZINC000218241679 562877897 /nfs/dbraw/zinc/87/78/97/562877897.db2.gz GHIRFKAJFXVGFG-HDICACEKSA-N -1 3 515.079 3.768 1 0 KHAFHM CN(C)CCOc1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@@H]2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000224068371 562880256 /nfs/dbraw/zinc/88/02/56/562880256.db2.gz SHOUUGADSXOVGJ-MYLCPLCOSA-N -1 3 634.068 3.871 1 0 KHAFHM CN(C)CCOc1cccc2c1CCN(C(=O)/C=C/c1c(F)c(Cl)ccc1-n1cnnn1)[C@H]2C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000224068422 562880278 /nfs/dbraw/zinc/88/02/78/562880278.db2.gz SHOUUGADSXOVGJ-RBUXCVQISA-N -1 3 634.068 3.871 1 0 KHAFHM CCN(CCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC000253633393 562882079 /nfs/dbraw/zinc/88/20/79/562882079.db2.gz JXEARVHZOVKJCG-IOKQCNTKSA-N -1 3 575.754 3.853 1 0 KHAFHM CCN(CCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@@]21C)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC000253633395 562882060 /nfs/dbraw/zinc/88/20/60/562882060.db2.gz JXEARVHZOVKJCG-RKAFUKNQSA-N -1 3 575.754 3.853 1 0 KHAFHM CCN(CCCCNC(=O)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@@]21C)c1ccc2c(c1)c(=O)[n-][nH]c2=O ZINC000253633397 562882066 /nfs/dbraw/zinc/88/20/66/562882066.db2.gz JXEARVHZOVKJCG-YPUWLVPJSA-N -1 3 575.754 3.853 1 0 KHAFHM CC(C)S(=O)(=O)c1ccccc1Nc1nc([N-]c2nc3c(s2)CCN(CCN2CCOCC2)CC3)ncc1Cl ZINC000299829226 562884795 /nfs/dbraw/zinc/88/47/95/562884795.db2.gz ZPOFMDMSFJYINK-UHFFFAOYSA-N -1 3 592.191 3.989 1 0 KHAFHM CO[N-]C(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1cnc(C2CCCCC2)[nH]1 ZINC000299838206 562887800 /nfs/dbraw/zinc/88/78/00/562887800.db2.gz MGLXCIVCXHZJMA-ASVWTAOFSA-N -1 3 671.847 3.712 1 0 KHAFHM CO[N-]C(=O)[C@H](Cc1c[nH]c(C2CCCCC2)n1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]c(C2CCCCC2)n1 ZINC000299838206 562887799 /nfs/dbraw/zinc/88/77/99/562887799.db2.gz MGLXCIVCXHZJMA-ASVWTAOFSA-N -1 3 671.847 3.712 1 0 KHAFHM CO[N-]C(=O)[C@H](Cc1c[nH]c(C(C)(C)C)n1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc(C(C)(C)C)[nH]1)NC(=O)OC(C)(C)C ZINC000299839707 562888285 /nfs/dbraw/zinc/88/82/85/562888285.db2.gz SOLKJEKKXIGBGS-KCHLEUMXSA-N -1 3 719.888 3.778 1 0 KHAFHM CO[N-]C(=O)[C@H](Cc1cnc(C(C)(C)C)[nH]1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]c(C(C)(C)C)n1)NC(=O)OC(C)(C)C ZINC000299839707 562888284 /nfs/dbraw/zinc/88/82/84/562888284.db2.gz SOLKJEKKXIGBGS-KCHLEUMXSA-N -1 3 719.888 3.778 1 0 KHAFHM COc1ccc([C@H]2C[C@]3(C[C@@H](c4ccc(OC)cc4)N2C(C)=O)SC([N-]C(C)=O)=NN3C(C)=O)cc1 ZINC000299847786 562890071 /nfs/dbraw/zinc/89/00/71/562890071.db2.gz QSNHYHSOSJBLCT-XNSYCPOSSA-N -1 3 510.616 3.827 1 0 KHAFHM CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC4(C)C)[C@H]1O[C@]12C3=O ZINC000299853330 562891122 /nfs/dbraw/zinc/89/11/22/562891122.db2.gz INXMOBDFLQXCTO-MYINUKAWSA-N -1 3 806.902 3.709 1 0 KHAFHM CC(C)=CCC[C@]1(C)C=Cc2c([O-])c3c(c(CC=C(C)C)c2O1)O[C@]12[C@H]4C[C@H](C(=O)[C@]1(C/C=C(/C)C(=O)O[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)OC4(C)C)[C@@H]1O[C@@]12C3=O ZINC000299853331 562891139 /nfs/dbraw/zinc/89/11/39/562891139.db2.gz INXMOBDFLQXCTO-OAPROCQFSA-N -1 3 806.902 3.709 1 0 KHAFHM CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccc(SC[C@@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])cc1S2 ZINC000299853681 562891204 /nfs/dbraw/zinc/89/12/04/562891204.db2.gz OJCZHARCPHEHPT-AJSBUHFISA-N -1 3 675.899 3.855 1 0 KHAFHM CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccc(SC[C@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])cc1S2 ZINC000299853682 562891187 /nfs/dbraw/zinc/89/11/87/562891187.db2.gz OJCZHARCPHEHPT-PMOQBDJRSA-N -1 3 675.899 3.855 1 0 KHAFHM CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccc(SC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])cc1S2 ZINC000299853683 562891209 /nfs/dbraw/zinc/89/12/09/562891209.db2.gz OJCZHARCPHEHPT-VJBMBRPKSA-N -1 3 675.899 3.855 1 0 KHAFHM CSc1ccc2c(c1)N(CC[C@@H]1CCCCN1C)c1ccc(SC[C@@H](NC(=O)CC[C@@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)[O-])cc1S2 ZINC000299853684 562891191 /nfs/dbraw/zinc/89/11/91/562891191.db2.gz OJCZHARCPHEHPT-WWPVKYPJSA-N -1 3 675.899 3.855 1 0 KHAFHM O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2[C@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[n-]c(=O)c12 ZINC000299854926 562891510 /nfs/dbraw/zinc/89/15/10/562891510.db2.gz AOYNRKPKXTYWBY-GDLZYMKVSA-N -1 3 532.516 3.945 1 0 KHAFHM O=C1N(Cc2ccc3c(c2)OCO3)c2ccccc2[C@@]12c1c(n[nH]c1-c1ccccc1)Nc1[nH]c(=O)[n-]c(=O)c12 ZINC000299854931 562891523 /nfs/dbraw/zinc/89/15/23/562891523.db2.gz AOYNRKPKXTYWBY-LJAQVGFWSA-N -1 3 532.516 3.945 1 0 KHAFHM CCCc1nn(C)c2c1nc(-c1cc(S(=O)(=O)NCc3ccc(OC)c(F)c3)ccc1OCC)[n-]c2=O ZINC000299859504 562892721 /nfs/dbraw/zinc/89/27/21/562892721.db2.gz FUOLVNKICQCMHH-UHFFFAOYSA-N -1 3 529.594 3.713 1 0 KHAFHM CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)[O-])NC(=O)c1ccc2ccccc2n1 ZINC000472866739 562896580 /nfs/dbraw/zinc/89/65/80/562896580.db2.gz ROBIWNSFIUPVJO-UGJKXSETSA-N -1 3 671.839 3.692 1 0 KHAFHM COc1ncc(-c2ccc3nc(NC(=O)NCCN(C)C)sc3c2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000473114293 562898898 /nfs/dbraw/zinc/89/88/98/562898898.db2.gz MMPNESYYANFTSJ-UHFFFAOYSA-N -1 3 544.634 3.990 1 0 KHAFHM CC(C)(C)c1cc(=NC(=O)Nc2ccc(-c3cn4c(C(=O)OCCN5CCOCC5)csc4n3)cc2)[n-]o1 ZINC000473116264 562899152 /nfs/dbraw/zinc/89/91/52/562899152.db2.gz WJDLMJWJCXVNIR-UHFFFAOYSA-N -1 3 538.630 3.903 1 0 KHAFHM O=C(OCc1ccccc1)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc(N3CCNC3=O)c21 ZINC000473134220 562900517 /nfs/dbraw/zinc/90/05/17/562900517.db2.gz GSRVFALQIOWRSI-UHFFFAOYSA-N -1 3 528.537 3.995 1 0 KHAFHM NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cc(Br)cc(-c3nn[n-]n3)c2)c2ccccc21 ZINC000473164981 562902895 /nfs/dbraw/zinc/90/28/95/562902895.db2.gz KLUGJTFQJGWLFQ-ZBJVWZGCSA-N -1 3 550.377 3.558 1 0 KHAFHM NC(=O)n1cc(NC(=O)N2[C@@H]3C[C@@H]3C[C@H]2C(=O)Nc2cc(Br)cc(-c3nnn[n-]3)c2)c2ccccc21 ZINC000473164981 562902894 /nfs/dbraw/zinc/90/28/94/562902894.db2.gz KLUGJTFQJGWLFQ-ZBJVWZGCSA-N -1 3 550.377 3.558 1 0 KHAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000653687058 562906548 /nfs/dbraw/zinc/90/65/48/562906548.db2.gz CNWZAPSUIANDKJ-KNYYLJOQSA-N -1 3 626.798 3.956 1 0 KHAFHM N[C@@H](Cc1ccc(O)cc1)C(=O)N1Cc2ccccc2C[C@@H]1CN[C@@H](Cc1ccccc1)C(=O)N[C@H](CC1CCCCC1)C(=O)[O-] ZINC000653687059 562906568 /nfs/dbraw/zinc/90/65/68/562906568.db2.gz CNWZAPSUIANDKJ-SBLQOOQRSA-N -1 3 626.798 3.956 1 0 KHAFHM CCCc1nc2c(cc(C(=O)NCCN3CCN(C)CC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nn[n-]n2)cc1 ZINC000653694223 562906935 /nfs/dbraw/zinc/90/69/35/562906935.db2.gz PWIKVWDNLUERHL-UHFFFAOYSA-N -1 3 620.762 3.755 1 0 KHAFHM CCCc1nc2c(cc(C(=O)NCCN3CCN(C)CC3)cc2C)n1Cc1ccc(-c2ccccc2C(=O)Nc2nnn[n-]2)cc1 ZINC000653694223 562906934 /nfs/dbraw/zinc/90/69/34/562906934.db2.gz PWIKVWDNLUERHL-UHFFFAOYSA-N -1 3 620.762 3.755 1 0 KHAFHM COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CCNc4ncnc5ccsc54)nn3)ccc2[O-])c1 ZINC000653709127 562908052 /nfs/dbraw/zinc/90/80/52/562908052.db2.gz KTBMJHSSOVCUPE-UHFFFAOYSA-N -1 3 515.555 3.671 1 0 KHAFHM COC(=O)c1cccc(NC(=O)c2cc(-n3cc(CNc4ncnc5ccsc54)nn3)ccc2[O-])c1 ZINC000653709131 562908054 /nfs/dbraw/zinc/90/80/54/562908054.db2.gz NLSGVTSSTDOANM-UHFFFAOYSA-N -1 3 501.528 3.629 1 0 KHAFHM C[C@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716347 562908550 /nfs/dbraw/zinc/90/85/50/562908550.db2.gz NHNPPHOWPDXGTJ-INIZCTEOSA-N -1 3 602.632 3.997 1 0 KHAFHM C[C@@H](C(=O)NCc1ccc(C(F)(F)F)nc1N(Cc1ccccc1)S(C)(=O)=O)c1ccc([N-]S(C)(=O)=O)c(F)c1 ZINC000653716348 562908554 /nfs/dbraw/zinc/90/85/54/562908554.db2.gz NHNPPHOWPDXGTJ-MRXNPFEDSA-N -1 3 602.632 3.997 1 0 KHAFHM COC(=O)[C@H](C)N[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739278 562910101 /nfs/dbraw/zinc/91/01/01/562910101.db2.gz RAXKRCXZBNDHSH-GICSCBFPSA-N -1 3 621.939 3.704 1 0 KHAFHM COC(=O)[C@H](C)N[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739279 562910109 /nfs/dbraw/zinc/91/01/09/562910109.db2.gz RAXKRCXZBNDHSH-ULDZQZODSA-N -1 3 621.939 3.704 1 0 KHAFHM CN[P@@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739281 562910096 /nfs/dbraw/zinc/91/00/96/562910096.db2.gz RJHVGHBOHBVZOT-JQONHGGBSA-N -1 3 549.876 3.772 1 0 KHAFHM CN[P@](=O)(OC[C@H]1O[C@@H](n2cc(F)c(=O)[n-]c2=O)C[C@@H]1OC(=O)OC(C)(C)C)Oc1ccc(Cl)cc1 ZINC000653739282 562910087 /nfs/dbraw/zinc/91/00/87/562910087.db2.gz RJHVGHBOHBVZOT-QGWSXCJNSA-N -1 3 549.876 3.772 1 0 KHAFHM Cc1cc(S(=O)(=O)NCCN(C)C)cnc1-c1ccc(N(Cc2cccnc2)C(=O)c2ccc(O)cc2[O-])cc1 ZINC000653760110 562911246 /nfs/dbraw/zinc/91/12/46/562911246.db2.gz OIYUPFCCMSWBCL-UHFFFAOYSA-N -1 3 561.664 3.550 1 0 KHAFHM COc1ccc(Oc2cc(F)cc(Nc3ccc(I)cc3F)c2C(N)=O)cc1[N-]S(N)(=O)=O ZINC000653799618 562913305 /nfs/dbraw/zinc/91/33/05/562913305.db2.gz ULYDIYGPZZDQIG-UHFFFAOYSA-N -1 3 590.346 3.828 1 0 KHAFHM CCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@@H](CO)O3)[C@@H](O)C2=O ZINC000653813147 562913932 /nfs/dbraw/zinc/91/39/32/562913932.db2.gz DXJNGOBWESGGKV-AKJWSFQKSA-N -1 3 538.549 3.836 1 0 KHAFHM CCCCOc1cc([O-])c2c(c1)O[C@H](c1ccc3c(c1)O[C@H](c1ccc(O)c(OC)c1)[C@H](CO)O3)[C@@H](O)C2=O ZINC000653813148 562913930 /nfs/dbraw/zinc/91/39/30/562913930.db2.gz 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