smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccncc3)CC2)c1[O-] ZINC000153203036 728774447 /nfs/dbraw/zinc/77/44/47/728774447.db2.gz JYVIYMWSSCFJMM-UHFFFAOYSA-N -1 1 359.857 2.961 20 10 FFCDMM O=C(C[C@H]1CCC[C@@H](C(F)(F)F)O1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000924328849 738403207 /nfs/dbraw/zinc/40/32/07/738403207.db2.gz QQYPTLLCWMXIGK-YGRLFVJLSA-N -1 1 362.300 2.714 20 10 FFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCCCSc1nccs1 ZINC000081724616 728403524 /nfs/dbraw/zinc/40/35/24/728403524.db2.gz KXVJDWNNBHPHAQ-UHFFFAOYSA-N -1 1 366.512 2.745 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(F)(F)F)CC2)c1[O-] ZINC000320604037 729750902 /nfs/dbraw/zinc/75/09/02/729750902.db2.gz YLVJNSKAYLSFFA-UHFFFAOYSA-N -1 1 350.768 2.928 20 10 FFCDMM Cc1ccn(C[C@@H](C)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000867830889 731231618 /nfs/dbraw/zinc/23/16/18/731231618.db2.gz KNHSSGBZCMNNQE-SNVBAGLBSA-N -1 1 352.232 2.612 20 10 FFCDMM CCOC1CC2(C[C@@H]2C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000867831436 731231706 /nfs/dbraw/zinc/23/17/06/731231706.db2.gz YROCKXANVMPAFO-BWBHSNQOSA-N -1 1 354.244 2.976 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccccc1CN1CCOCC1 ZINC000890760802 734336960 /nfs/dbraw/zinc/33/69/60/734336960.db2.gz ZGQIPPSFHIVJIN-UHFFFAOYSA-N -1 1 360.841 2.808 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](C[C@H]1COCCO1)C(F)(F)F ZINC000890761069 734337276 /nfs/dbraw/zinc/33/72/76/734337276.db2.gz JVFPEJJIEUHWET-WDEREUQCSA-N -1 1 367.751 2.646 20 10 FFCDMM O=C(CCNC(=O)NCc1cccc(Cl)c1[O-])NC1CCCCC1 ZINC000892208411 734528257 /nfs/dbraw/zinc/52/82/57/734528257.db2.gz ZYMWVGHILRHKLR-UHFFFAOYSA-N -1 1 353.850 2.684 20 10 FFCDMM CCOC(=O)C1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000892359654 734549937 /nfs/dbraw/zinc/54/99/37/734549937.db2.gz RHOQMDMCQNQGPS-UHFFFAOYSA-N -1 1 354.834 2.967 20 10 FFCDMM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893244911 734674318 /nfs/dbraw/zinc/67/43/18/734674318.db2.gz CLCGKUGBJXDOER-SNVBAGLBSA-N -1 1 350.850 2.826 20 10 FFCDMM O=C([N-]C[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1)C(F)(F)F ZINC000894795687 734918339 /nfs/dbraw/zinc/91/83/39/734918339.db2.gz SNHUCOOQDRGECH-SECBINFHSA-N -1 1 352.303 2.561 20 10 FFCDMM CCOC(=O)N[C@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748051370 735611929 /nfs/dbraw/zinc/61/19/29/735611929.db2.gz RXPNNYCMTUCDCQ-AWEZNQCLSA-N -1 1 354.834 2.959 20 10 FFCDMM Cc1sc(C)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1C ZINC000901594837 735800701 /nfs/dbraw/zinc/80/07/01/735800701.db2.gz HSWTYZVUWHBXLA-UHFFFAOYSA-N -1 1 374.509 2.846 20 10 FFCDMM CC(=O)N[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000758169099 736457843 /nfs/dbraw/zinc/45/78/43/736457843.db2.gz MYYMPHLDRYPHSM-MRVPVSSYSA-N -1 1 358.416 2.591 20 10 FFCDMM CC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])C(C)(C)C1 ZINC000761215610 736708386 /nfs/dbraw/zinc/70/83/86/736708386.db2.gz SXWJIKRZTZAAJK-UHFFFAOYSA-N -1 1 355.276 2.906 20 10 FFCDMM Cc1ncsc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764777077 737048311 /nfs/dbraw/zinc/04/83/11/737048311.db2.gz ABUOWBNJVDNWFY-UHFFFAOYSA-N -1 1 356.245 2.919 20 10 FFCDMM NC(=O)c1cnc(NCc2cccc(Br)c2[O-])c(Cl)c1 ZINC000764933970 737064744 /nfs/dbraw/zinc/06/47/44/737064744.db2.gz HBUPGJZFUXPXPZ-UHFFFAOYSA-N -1 1 356.607 2.914 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nc2ccccn2n1 ZINC000765340793 737109934 /nfs/dbraw/zinc/10/99/34/737109934.db2.gz WSDPCYPXMQTPNH-UHFFFAOYSA-N -1 1 362.187 2.519 20 10 FFCDMM C[C@](O)(Cc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765733339 737150677 /nfs/dbraw/zinc/15/06/77/737150677.db2.gz XSKUGPQAORGDOV-KRWDZBQOSA-N -1 1 364.239 2.765 20 10 FFCDMM CN(C)c1ccnc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765751271 737153800 /nfs/dbraw/zinc/15/38/00/737153800.db2.gz DDGDVQXOUDQJAI-UHFFFAOYSA-N -1 1 350.216 2.546 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1cccc(F)c1 ZINC000765903844 737171632 /nfs/dbraw/zinc/17/16/32/737171632.db2.gz NUNQBCXLERIFSC-UHFFFAOYSA-N -1 1 367.174 2.549 20 10 FFCDMM CCC[C@@H](NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979195 737937380 /nfs/dbraw/zinc/93/73/80/737937380.db2.gz AMTQYVONBIEXBD-UVQBRAAOSA-N -1 1 359.495 2.901 20 10 FFCDMM Cc1cc(Cl)ccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920974768 737937460 /nfs/dbraw/zinc/93/74/60/737937460.db2.gz SJDUAVDOIPKNGX-KPKJPENVSA-N -1 1 351.859 2.844 20 10 FFCDMM CC[C@H](CNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979420 737937809 /nfs/dbraw/zinc/93/78/09/737937809.db2.gz LXGFRIHYLILWRQ-DSQDWWTGSA-N -1 1 359.495 2.553 20 10 FFCDMM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)c1 ZINC000775291182 738079834 /nfs/dbraw/zinc/07/98/34/738079834.db2.gz DDTXUXUHKGCRLS-UHFFFAOYSA-N -1 1 365.407 2.830 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)OCCO3)ccc1O ZINC000776748212 738228890 /nfs/dbraw/zinc/22/88/90/738228890.db2.gz ZUKNKQOUIOWJEI-UHFFFAOYSA-N -1 1 355.799 2.926 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2cccc(Cl)c2)CC1 ZINC000789941290 739398640 /nfs/dbraw/zinc/39/86/40/739398640.db2.gz JBKKNQCWWCQYJX-UHFFFAOYSA-N -1 1 350.777 2.853 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)ccc2c1 ZINC000792703444 739695847 /nfs/dbraw/zinc/69/58/47/739695847.db2.gz WNFCZDXJFRKPCM-UHFFFAOYSA-N -1 1 362.432 2.756 20 10 FFCDMM O=S(=O)([N-]c1ccc(OC(F)F)cc1F)c1cccc2nonc21 ZINC000800844900 740555232 /nfs/dbraw/zinc/55/52/32/740555232.db2.gz QAANMPJTATUXAM-UHFFFAOYSA-N -1 1 359.285 2.764 20 10 FFCDMM O=C(Cn1c(=O)onc1-c1ccc(F)c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000809966257 741367484 /nfs/dbraw/zinc/36/74/84/741367484.db2.gz ZJRLEYWHVALDKU-UHFFFAOYSA-N -1 1 364.716 2.590 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(-c2ncc[nH]2)c1 ZINC000816496417 742035060 /nfs/dbraw/zinc/03/50/60/742035060.db2.gz JOGKBDGSZAAXOG-UHFFFAOYSA-N -1 1 373.210 2.870 20 10 FFCDMM O=C1CNC(=O)N1Cc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816569076 742042973 /nfs/dbraw/zinc/04/29/73/742042973.db2.gz YRXIQKLMIOOFPK-UHFFFAOYSA-N -1 1 363.776 2.849 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124878 743214608 /nfs/dbraw/zinc/21/46/08/743214608.db2.gz ZZOUDRCZUDBZMJ-KRTXAFLBSA-N -1 1 354.712 2.699 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@@H]3CCC[C@H]32)c1 ZINC000825203329 743227867 /nfs/dbraw/zinc/22/78/67/743227867.db2.gz ZUEYMFAUOCWNTB-ZIAGYGMSSA-N -1 1 374.300 2.615 20 10 FFCDMM C[C@@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000840431768 747091508 /nfs/dbraw/zinc/09/15/08/747091508.db2.gz DIYZZWSGAQRZCU-SCVCMEIPSA-N -1 1 357.248 2.767 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCn3c(CC4CC4)nnc3C2)c1[O-] ZINC000844377521 748017263 /nfs/dbraw/zinc/01/72/63/748017263.db2.gz HIISIDKNIJKDBG-UHFFFAOYSA-N -1 1 360.845 2.808 20 10 FFCDMM CC(C)(C)OC(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000846013828 748382739 /nfs/dbraw/zinc/38/27/39/748382739.db2.gz FBOXIWAKDLYSKX-UHFFFAOYSA-N -1 1 370.243 2.893 20 10 FFCDMM CCc1nc(SCC(=O)NCc2ccc(N(C)C)cc2)[n-]c(=O)c1C ZINC000849921808 749259065 /nfs/dbraw/zinc/25/90/65/749259065.db2.gz VXHFOOWKBSGROJ-UHFFFAOYSA-N -1 1 360.483 2.528 20 10 FFCDMM Cc1cc2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])ccc2[nH]1 ZINC000055223591 845325789 /nfs/dbraw/zinc/32/57/89/845325789.db2.gz FTJBVIXQBWTGCD-UHFFFAOYSA-N -1 1 359.407 2.806 20 10 FFCDMM COCCCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275956708 1013227941 /nfs/dbraw/zinc/22/79/41/1013227941.db2.gz LAXWILZEHWFVKQ-LJQANCHMSA-N -1 1 368.424 2.664 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1F ZINC000066906931 974871522 /nfs/dbraw/zinc/87/15/22/974871522.db2.gz XKEVXEWYEPWJGP-UHFFFAOYSA-N -1 1 368.412 2.838 20 10 FFCDMM CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279105451 977660888 /nfs/dbraw/zinc/66/08/88/977660888.db2.gz BGIIMJBNHYZVTM-OWCLPIDISA-N -1 1 360.404 2.978 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000905694075 980497883 /nfs/dbraw/zinc/49/78/83/980497883.db2.gz QZRPNVWKDQBCLX-HNNXBMFYSA-N -1 1 369.417 2.524 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](C3OCCO3)C2)c1[O-] ZINC000905694075 980497888 /nfs/dbraw/zinc/49/78/88/980497888.db2.gz QZRPNVWKDQBCLX-HNNXBMFYSA-N -1 1 369.417 2.524 20 10 FFCDMM COC(=O)c1c(CN2CCC3(C[C@H]3C(=O)[O-])CC2)c2cc(F)ccc2n1C ZINC001598910528 997360207 /nfs/dbraw/zinc/36/02/07/997360207.db2.gz KEJWUUUUZUOFEL-HNNXBMFYSA-N -1 1 374.412 2.791 20 10 FFCDMM COc1c([O-])c(C[N@@H+](CC(C)C)CC(C)(C)C(=O)[O-])ccc1[N+](=O)[O-] ZINC001599344409 997976987 /nfs/dbraw/zinc/97/69/87/997976987.db2.gz HYOVFVCDHWRKER-UHFFFAOYSA-N -1 1 354.403 2.878 20 10 FFCDMM CCC(=O)NC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1 ZINC001144299563 998287231 /nfs/dbraw/zinc/28/72/31/998287231.db2.gz AIQDKZDOMFXQOQ-UHFFFAOYSA-N -1 1 359.239 2.784 20 10 FFCDMM CC1(C)C[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC[C@H]1C(F)(F)F ZINC000846259766 1000247179 /nfs/dbraw/zinc/24/71/79/1000247179.db2.gz UGZBXKFTKJHPEA-LLVKDONJSA-N -1 1 372.347 2.544 20 10 FFCDMM CC1(C)CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC[C@H]1C(F)(F)F ZINC000846259766 1000247182 /nfs/dbraw/zinc/24/71/82/1000247182.db2.gz UGZBXKFTKJHPEA-LLVKDONJSA-N -1 1 372.347 2.544 20 10 FFCDMM Cc1cc(C)c(O)c2c1CC(C)(C)[C@@H]2NC(=O)c1c(CO)cnc(C)c1[O-] ZINC001147848438 1000990611 /nfs/dbraw/zinc/99/06/11/1000990611.db2.gz KSWIOAYGNLSNCI-LJQANCHMSA-N -1 1 370.449 2.964 20 10 FFCDMM COC(=O)[C@@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774910085 1003015103 /nfs/dbraw/zinc/01/51/03/1003015103.db2.gz PRQHOJKVAFUMTN-INIZCTEOSA-N -1 1 372.377 2.581 20 10 FFCDMM O=C(CNc1ncncc1OCc1ccccc1)c1ccc([O-])c(O)c1 ZINC001170317097 1003106561 /nfs/dbraw/zinc/10/65/61/1003106561.db2.gz YTPGBQIWVVWUBH-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM CN1CC[C@]2(CC[N@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767906 1003485048 /nfs/dbraw/zinc/48/50/48/1003485048.db2.gz OZPRNQRVOYMUOB-QFIPXVFZSA-N -1 1 366.461 2.856 20 10 FFCDMM CN1CC[C@]2(CC[N@@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767906 1003485054 /nfs/dbraw/zinc/48/50/54/1003485054.db2.gz OZPRNQRVOYMUOB-QFIPXVFZSA-N -1 1 366.461 2.856 20 10 FFCDMM CC(C)(C)OC(=O)O[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193209986 1004403152 /nfs/dbraw/zinc/40/31/52/1004403152.db2.gz SFVRZBYHHFRGOU-VIFPVBQESA-N -1 1 357.790 2.917 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001193220351 1004407158 /nfs/dbraw/zinc/40/71/58/1004407158.db2.gz SUNIJZNSFWDQGQ-NEPJUHHUSA-N -1 1 358.781 2.559 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001193219653 1004407663 /nfs/dbraw/zinc/40/76/63/1004407663.db2.gz LTVPUKYJHMVHAZ-RNCFNFMXSA-N -1 1 371.714 2.619 20 10 FFCDMM O=C(NCCc1nnc(-c2ccccc2)[nH]1)c1cc(O)c([O-])c(Cl)c1 ZINC001193624960 1004527080 /nfs/dbraw/zinc/52/70/80/1004527080.db2.gz BFJKHPRJTXCZOO-UHFFFAOYSA-N -1 1 358.785 2.509 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)c1ncccc1C(F)(F)F ZINC001194572466 1004763816 /nfs/dbraw/zinc/76/38/16/1004763816.db2.gz VDMAPJNAOONCHU-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM Cc1cc(O)cc(C)c1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001195236273 1004913588 /nfs/dbraw/zinc/91/35/88/1004913588.db2.gz SCHLYVMAIKHZJG-UHFFFAOYSA-N -1 1 357.334 2.786 20 10 FFCDMM O=C(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCC(O)CC1 ZINC000883060412 1006624277 /nfs/dbraw/zinc/62/42/77/1006624277.db2.gz LAMSFRAQOVMPCO-UHFFFAOYSA-N -1 1 362.376 2.879 20 10 FFCDMM CCC[C@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)c1nn[n-]n1 ZINC000859945876 1008736410 /nfs/dbraw/zinc/73/64/10/1008736410.db2.gz UMBOXUARFHZULT-KRWDZBQOSA-N -1 1 366.425 2.691 20 10 FFCDMM Nc1cc(Br)cc(C(=O)NCc2cccc(Cl)c2[O-])c1N ZINC001180419604 1009688085 /nfs/dbraw/zinc/68/80/85/1009688085.db2.gz BCLAZEKWXPSCBK-UHFFFAOYSA-N -1 1 370.634 2.903 20 10 FFCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000863941489 1010363368 /nfs/dbraw/zinc/36/33/68/1010363368.db2.gz IQHPXIGBRZITRH-UHFFFAOYSA-N -1 1 358.398 2.812 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC=C(c2ccc3c(c2)OCCO3)CC1 ZINC000827731648 1018632627 /nfs/dbraw/zinc/63/26/27/1018632627.db2.gz NJCCPDDYRHGFOA-UHFFFAOYSA-N -1 1 371.364 2.938 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CC1)C[C@@H](O)c1ccccc1O2 ZINC000900720509 1020613081 /nfs/dbraw/zinc/61/30/81/1020613081.db2.gz TVLACGSPQMCKET-OAHLLOKOSA-N -1 1 373.380 2.728 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CNCC(F)(F)C1 ZINC001218272210 1033078326 /nfs/dbraw/zinc/07/83/26/1033078326.db2.gz BMNFPUJDIJSTBW-JTQLQIEISA-N -1 1 359.328 2.544 20 10 FFCDMM CCOC[C@@H]1CN(Cc2c([O-])cccc2F)Cc2nnn(CC3CC3)c21 ZINC001137832601 1033167379 /nfs/dbraw/zinc/16/73/79/1033167379.db2.gz ASXWFGCUHWJONF-AWEZNQCLSA-N -1 1 360.433 2.669 20 10 FFCDMM CCc1cc2c(COC(=O)c3cccc(O)c3O)cc(=O)oc2cc1[O-] ZINC000758559755 1024176436 /nfs/dbraw/zinc/17/64/36/1024176436.db2.gz GIKVFQCABDNOPN-UHFFFAOYSA-N -1 1 356.330 2.829 20 10 FFCDMM CC1CCN(c2ccc(CNC(=O)c3c[n-]c(=O)c([N+](=O)[O-])c3)cc2)CC1 ZINC000193565980 1024568471 /nfs/dbraw/zinc/56/84/71/1024568471.db2.gz ZUXNYWVLQUQGKA-UHFFFAOYSA-N -1 1 370.409 2.862 20 10 FFCDMM CC(C)Oc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC001158904297 1027184474 /nfs/dbraw/zinc/18/44/74/1027184474.db2.gz GVKNWBVEJLWBGV-UHFFFAOYSA-N -1 1 364.423 2.803 20 10 FFCDMM CC(C)(C)OC(=O)N1CC([C@@H](F)C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001159041050 1027241894 /nfs/dbraw/zinc/24/18/94/1027241894.db2.gz BAJBPNPERMAQAD-CYBMUJFWSA-N -1 1 372.824 2.867 20 10 FFCDMM O=C(CNC(F)(F)c1cnc(Cl)nc1Cl)c1ccc([O-])c(O)c1 ZINC001159272410 1027332202 /nfs/dbraw/zinc/33/22/02/1027332202.db2.gz MMIPJGYLPOQUDO-UHFFFAOYSA-N -1 1 364.135 2.716 20 10 FFCDMM CCOC(=O)c1c(C)nc(Cl)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159276583 1027333375 /nfs/dbraw/zinc/33/33/75/1027333375.db2.gz LGEGBJXZWRIMEO-UHFFFAOYSA-N -1 1 364.785 2.926 20 10 FFCDMM COc1ccc(CN[C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998165 1029966556 /nfs/dbraw/zinc/96/65/56/1029966556.db2.gz OVWKFYHHHKOSBA-PKOBYXMFSA-N -1 1 368.433 2.520 20 10 FFCDMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1=O ZINC000840998157 1029968320 /nfs/dbraw/zinc/96/83/20/1029968320.db2.gz OHALYZIFROCJRF-RDJZCZTQSA-N -1 1 374.824 2.562 20 10 FFCDMM O=C(COC(=O)c1csc(-c2ccc(O)cc2)n1)c1ccc([O-])c(O)c1 ZINC000783373503 1030063261 /nfs/dbraw/zinc/06/32/61/1030063261.db2.gz FTOQYWRLCWXEFM-UHFFFAOYSA-N -1 1 371.370 2.967 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(F)c(F)cc1[O-])[C@@H]2C ZINC001142531278 1030582077 /nfs/dbraw/zinc/58/20/77/1030582077.db2.gz RQHVYAJHBFPKML-SNVBAGLBSA-N -1 1 351.353 2.620 20 10 FFCDMM COc1ccc(N2CCN(Cc3ccccc3C(=O)[O-])CC2)c(OC)c1 ZINC001140504433 1035528776 /nfs/dbraw/zinc/52/87/76/1035528776.db2.gz SBIATTAWYOSVMM-UHFFFAOYSA-N -1 1 356.422 2.724 20 10 FFCDMM O=C1N(Cc2cnoc2)CC[C@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277231795 1035670739 /nfs/dbraw/zinc/67/07/39/1035670739.db2.gz GDYPLHZBJAYGDR-GOSISDBHSA-N -1 1 361.829 2.801 20 10 FFCDMM COc1cnc(OC2CCN(Cc3c([O-])cc(F)cc3F)CC2)nc1 ZINC001140585372 1035670885 /nfs/dbraw/zinc/67/08/85/1035670885.db2.gz HHTOYMXVKNPOOC-UHFFFAOYSA-N -1 1 351.353 2.512 20 10 FFCDMM CC(=O)[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228188333 1035981010 /nfs/dbraw/zinc/98/10/10/1035981010.db2.gz BFBMDBSCRURAGJ-MGPLVRAMSA-N -1 1 358.346 2.866 20 10 FFCDMM CCOC(=O)c1nc2c(s1)CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233335931 1036540853 /nfs/dbraw/zinc/54/08/53/1036540853.db2.gz ROZHWXHFLKSKTI-UHFFFAOYSA-N -1 1 354.378 2.862 20 10 FFCDMM COc1cccc(C(=O)N2CCN(Cc3c([O-])ccc(F)c3F)CC2)c1 ZINC001233336365 1036543570 /nfs/dbraw/zinc/54/35/70/1036543570.db2.gz JKJFOIRSWONPKL-UHFFFAOYSA-N -1 1 362.376 2.637 20 10 FFCDMM CC(C)(C)OC(=O)CN1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233417978 1036610203 /nfs/dbraw/zinc/61/02/03/1036610203.db2.gz OUXCGVXKMGFLQE-UHFFFAOYSA-N -1 1 374.403 2.870 20 10 FFCDMM COc1c([O-])cc2c(c1OC(C)C)C(=O)c1c(cc(C)c(O)c1OC)C2=O ZINC001229604719 1036775584 /nfs/dbraw/zinc/77/55/84/1036775584.db2.gz VZYZIGOXNOGBCT-UHFFFAOYSA-N -1 1 372.373 2.986 20 10 FFCDMM CCCCN1C(=O)COCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001277829278 1036905550 /nfs/dbraw/zinc/90/55/50/1036905550.db2.gz ALKQDOUBSNRNNF-UHFFFAOYSA-N -1 1 373.280 2.912 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCN(c2ccnc(Cl)n2)CC1 ZINC001234474242 1037053419 /nfs/dbraw/zinc/05/34/19/1037053419.db2.gz PTJPGFKWCGTYLS-UHFFFAOYSA-N -1 1 363.801 2.792 20 10 FFCDMM COC(=O)c1cn2c(n1)CN(Cc1cc(Cl)c(Cl)cc1[O-])CC2 ZINC001236795157 1038275531 /nfs/dbraw/zinc/27/55/31/1038275531.db2.gz ACFGRTQDONCZKW-UHFFFAOYSA-N -1 1 356.209 2.698 20 10 FFCDMM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@@H](F)C2)c(Cl)c1 ZINC001236798092 1038277364 /nfs/dbraw/zinc/27/73/64/1038277364.db2.gz LBEFTIBHOTXVAL-STQMWFEESA-N -1 1 357.731 2.891 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCn2c(Cn3cccn3)cnc2C1 ZINC001237122032 1038448403 /nfs/dbraw/zinc/44/84/03/1038448403.db2.gz QNBJGEGKHAPVSM-UHFFFAOYSA-N -1 1 361.808 2.642 20 10 FFCDMM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@@H](N2CCCC2)C1 ZINC001251408988 1039114157 /nfs/dbraw/zinc/11/41/57/1039114157.db2.gz GNDYHNNKJMZUIM-LLVKDONJSA-N -1 1 365.282 2.558 20 10 FFCDMM O=S(=O)([N-]c1c(Cl)cccc1CO)c1cccc2nsnc21 ZINC001260388057 1040571700 /nfs/dbraw/zinc/57/17/00/1040571700.db2.gz NVJFQTVJXBCGBE-UHFFFAOYSA-N -1 1 355.828 2.638 20 10 FFCDMM NC(=O)Cc1ccccc1Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001249607613 1040893008 /nfs/dbraw/zinc/89/30/08/1040893008.db2.gz NJKGGDFDOYNMBK-UHFFFAOYSA-N -1 1 372.380 2.939 20 10 FFCDMM COc1cc(NS(=O)(=O)c2ccc(Cl)c3nonc32)ccc1[S-] ZINC001261073863 1040980864 /nfs/dbraw/zinc/98/08/64/1040980864.db2.gz WZLCICCUPNGNOT-UHFFFAOYSA-N -1 1 371.827 2.974 20 10 FFCDMM CN1CCN(Cc2cc(Br)cc(C(F)(F)F)c2[O-])CC1 ZINC001237790023 1043361084 /nfs/dbraw/zinc/36/10/84/1043361084.db2.gz XDAAXRMEAZODBD-UHFFFAOYSA-N -1 1 353.182 2.921 20 10 FFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279663809 1043425670 /nfs/dbraw/zinc/42/56/70/1043425670.db2.gz GDZZOWWGYMPXIZ-UHFFFAOYSA-N -1 1 353.253 2.740 20 10 FFCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001309940232 1043600042 /nfs/dbraw/zinc/60/00/42/1043600042.db2.gz FSQAEPGYRYJERJ-UHFFFAOYSA-N -1 1 370.814 2.995 20 10 FFCDMM COc1ccccc1C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC001320879353 1045487230 /nfs/dbraw/zinc/48/72/30/1045487230.db2.gz PQCADYAWQNWUDK-UHFFFAOYSA-N -1 1 356.374 2.954 20 10 FFCDMM CCS(=O)(=O)c1ccccc1CC(=O)NCc1cccc(Cl)c1[O-] ZINC001305085423 1051800432 /nfs/dbraw/zinc/80/04/32/1051800432.db2.gz YSIVTCXZYWVHPA-UHFFFAOYSA-N -1 1 367.854 2.698 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1cccc(N2CCCC2)c1 ZINC001349366486 1055210372 /nfs/dbraw/zinc/21/03/72/1055210372.db2.gz GCIQMWMPEODKIK-UHFFFAOYSA-N -1 1 373.840 2.901 20 10 FFCDMM CN(Cc1ccc(N2CCCCC2)cc1)c1nnc(-c2c[n-][nH]c2=O)n1C ZINC001338317198 1055415565 /nfs/dbraw/zinc/41/55/65/1055415565.db2.gz HWHUTERETGOYEU-UHFFFAOYSA-N -1 1 367.457 2.538 20 10 FFCDMM CC[C@@H](C)n1nc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC001338814049 1055840905 /nfs/dbraw/zinc/84/09/05/1055840905.db2.gz NJNMUDSEKZOMMY-SNVBAGLBSA-N -1 1 364.833 2.776 20 10 FFCDMM COc1cc(Br)cc(CNC(=O)c2c([O-])c(O)ccc2F)c1 ZINC001457992867 1060486242 /nfs/dbraw/zinc/48/62/42/1060486242.db2.gz FHQSSMUWDFHBHE-UHFFFAOYSA-N -1 1 370.174 2.938 20 10 FFCDMM COc1cccc(-n2cc(C(=O)[N-]c3c4nonc4ccc3Cl)nn2)c1 ZINC001459788857 1060819137 /nfs/dbraw/zinc/81/91/37/1060819137.db2.gz PDNYSAYHUOBAJL-UHFFFAOYSA-N -1 1 370.756 2.718 20 10 FFCDMM CNC(=O)NC[C@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001460628984 1061039960 /nfs/dbraw/zinc/03/99/60/1061039960.db2.gz SVOZBVWRPOLUAJ-CQSZACIVSA-N -1 1 353.850 2.532 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCO[C@H]1C1CC1 ZINC001522198228 1061708056 /nfs/dbraw/zinc/70/80/56/1061708056.db2.gz WKXYOYBVEJNRNR-OCCSQVGLSA-N -1 1 355.232 2.521 20 10 FFCDMM Cc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001472316099 1065010956 /nfs/dbraw/zinc/01/09/56/1065010956.db2.gz LPBCALGQFQQFJY-UHFFFAOYSA-N -1 1 353.827 2.688 20 10 FFCDMM O=[N+]([O-])c1c(NCCCSc2nccs2)cccc1-c1nnn[n-]1 ZINC001582802361 1079109036 /nfs/dbraw/zinc/10/90/36/1079109036.db2.gz QQSJYKQRWHBNIJ-UHFFFAOYSA-N -1 1 363.428 2.826 20 10 FFCDMM O=[N+]([O-])c1c(NCCCSc2nccs2)cccc1-c1nn[n-]n1 ZINC001582802361 1079109038 /nfs/dbraw/zinc/10/90/38/1079109038.db2.gz QQSJYKQRWHBNIJ-UHFFFAOYSA-N -1 1 363.428 2.826 20 10 FFCDMM [O-]c1c(Cl)cc(Cl)cc1C[NH2+]Cc1cccc(-c2nn[n-]n2)n1 ZINC001582814888 1079112482 /nfs/dbraw/zinc/11/24/82/1079112482.db2.gz UUZPEGSJWOYVAA-UHFFFAOYSA-N -1 1 351.197 2.564 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001558077390 1075938469 /nfs/dbraw/zinc/93/84/69/1075938469.db2.gz AJTWMQGJVNYCRX-CYBMUJFWSA-N -1 1 370.844 2.890 20 10 FFCDMM C[C@@H](Nc1cccc2c1OCCCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589986164 1080923601 /nfs/dbraw/zinc/92/36/01/1080923601.db2.gz ZEXNKDYCIHKNKS-LLVKDONJSA-N -1 1 353.382 2.907 20 10 FFCDMM COC(=O)[C@@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277605820 510967562 /nfs/dbraw/zinc/96/75/62/510967562.db2.gz USUPNYDSPFHOSY-WDEREUQCSA-N -1 1 370.243 2.750 20 10 FFCDMM COc1c([O-])c(CN2CCC(C(=O)C(F)(F)F)CC2)ccc1[N+](=O)[O-] ZINC000278497329 510995135 /nfs/dbraw/zinc/99/51/35/510995135.db2.gz MWRJHXCDYKXZPW-UHFFFAOYSA-N -1 1 362.304 2.652 20 10 FFCDMM COc1c([O-])c(CNC2(c3noc(C)n3)CCCCC2)ccc1[N+](=O)[O-] ZINC000278629530 511001731 /nfs/dbraw/zinc/00/17/31/511001731.db2.gz GRLPXLKWMRYGDV-UHFFFAOYSA-N -1 1 362.386 2.950 20 10 FFCDMM CO[C@@](C)(CNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000291468235 511209311 /nfs/dbraw/zinc/20/93/11/511209311.db2.gz JVZPSYIKZMVBJK-HNNXBMFYSA-N -1 1 357.248 2.769 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000296378985 511719907 /nfs/dbraw/zinc/71/99/07/511719907.db2.gz SZPDXEYMPBFVRB-LBPRGKRZSA-N -1 1 359.401 2.790 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c(C)c1O ZINC000274745787 511927503 /nfs/dbraw/zinc/92/75/03/511927503.db2.gz DIFFFEBRXZGFDD-UHFFFAOYSA-N -1 1 369.464 2.522 20 10 FFCDMM c1csc(SCCCNc2c3ccccc3nnc2-c2nnn[n-]2)n1 ZINC000738436874 598969837 /nfs/dbraw/zinc/96/98/37/598969837.db2.gz KLMNPJZOTLSOJF-UHFFFAOYSA-N -1 1 370.467 2.861 20 10 FFCDMM c1csc(SCCCNc2c3ccccc3nnc2-c2nn[n-]n2)n1 ZINC000738436874 598969839 /nfs/dbraw/zinc/96/98/39/598969839.db2.gz KLMNPJZOTLSOJF-UHFFFAOYSA-N -1 1 370.467 2.861 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1Cc1ccccc1 ZINC000823505333 599309801 /nfs/dbraw/zinc/30/98/01/599309801.db2.gz ZYQKAUMGAHEMMF-MDWZMJQESA-N -1 1 369.431 2.861 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1Cc1ccccc1 ZINC000823505333 599309804 /nfs/dbraw/zinc/30/98/04/599309804.db2.gz ZYQKAUMGAHEMMF-MDWZMJQESA-N -1 1 369.431 2.861 20 10 FFCDMM COC[C@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737752721 600573849 /nfs/dbraw/zinc/57/38/49/600573849.db2.gz XHESFUXBAAVAQB-INIZCTEOSA-N -1 1 370.449 2.943 20 10 FFCDMM C[C@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833814123 605597703 /nfs/dbraw/zinc/59/77/03/605597703.db2.gz RMFNNXQLHJFBTC-VHSXEESVSA-N -1 1 357.794 2.822 20 10 FFCDMM CCN(C)c1ccc(Cn2cc(-c3nn[n-]n3)c(=O)c3ccccc32)cc1 ZINC000821165086 606171664 /nfs/dbraw/zinc/17/16/64/606171664.db2.gz OVGBQGRHGWQRBM-UHFFFAOYSA-N -1 1 360.421 2.686 20 10 FFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccc(C)cc1 ZINC000826280541 608013410 /nfs/dbraw/zinc/01/34/10/608013410.db2.gz GAASMWPRIHERHM-UHFFFAOYSA-N -1 1 361.409 2.662 20 10 FFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1ccc(C)cc1 ZINC000826280541 608013411 /nfs/dbraw/zinc/01/34/11/608013411.db2.gz GAASMWPRIHERHM-UHFFFAOYSA-N -1 1 361.409 2.662 20 10 FFCDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H](C)CS(=O)(=O)CC ZINC000177169215 729130229 /nfs/dbraw/zinc/13/02/29/729130229.db2.gz CITVKIWUYJGRPK-LLVKDONJSA-N -1 1 361.891 2.893 20 10 FFCDMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc(N2CCOCC2)cc1 ZINC000864983977 730899176 /nfs/dbraw/zinc/89/91/76/730899176.db2.gz BTAPNRMXJFPGKH-UHFFFAOYSA-N -1 1 360.841 2.741 20 10 FFCDMM Cc1ccn(C[C@H](C)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000867830888 731231717 /nfs/dbraw/zinc/23/17/17/731231717.db2.gz KNHSSGBZCMNNQE-JTQLQIEISA-N -1 1 352.232 2.612 20 10 FFCDMM COCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763570 734337328 /nfs/dbraw/zinc/33/73/28/734337328.db2.gz YJUVDYPUODKELB-CYBMUJFWSA-N -1 1 372.849 2.592 20 10 FFCDMM CCOCc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000726623567 734437597 /nfs/dbraw/zinc/43/75/97/734437597.db2.gz KKGMZHRYWQEEDQ-UHFFFAOYSA-N -1 1 364.423 2.553 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCN(C2CCCCC2)C1=O ZINC000893723837 734742346 /nfs/dbraw/zinc/74/23/46/734742346.db2.gz GEGAUFPGJWIALQ-HNNXBMFYSA-N -1 1 365.861 2.778 20 10 FFCDMM NC(=O)CC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000893946451 734776000 /nfs/dbraw/zinc/77/60/00/734776000.db2.gz PDEYKOCMXNJHBQ-UHFFFAOYSA-N -1 1 361.667 2.896 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@](CO)(C(F)(F)F)C2)c1[O-] ZINC000895846891 735063523 /nfs/dbraw/zinc/06/35/23/735063523.db2.gz RNYSUQNDOSOSMZ-GFCCVEGCSA-N -1 1 354.712 2.701 20 10 FFCDMM COc1c([O-])c(CN2CCS[C@@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000896455401 735164559 /nfs/dbraw/zinc/16/45/59/735164559.db2.gz GKCWVTTUMIIOKP-SNVBAGLBSA-N -1 1 352.334 2.789 20 10 FFCDMM O=C([O-])N[C@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C12CCC2 ZINC000904238821 736237310 /nfs/dbraw/zinc/23/73/10/736237310.db2.gz FPCSXZJCKREKKG-STQMWFEESA-N -1 1 355.232 2.823 20 10 FFCDMM CN(C)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765235203 737099655 /nfs/dbraw/zinc/09/96/55/737099655.db2.gz QYRNXIZOOCDWJM-UHFFFAOYSA-N -1 1 365.231 2.937 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NCc1ncccc1F ZINC000765538260 737130892 /nfs/dbraw/zinc/13/08/92/737130892.db2.gz ZLIODKIGZPARSL-UHFFFAOYSA-N -1 1 354.179 2.688 20 10 FFCDMM O=C(Cn1cnc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765748639 737153204 /nfs/dbraw/zinc/15/32/04/737153204.db2.gz YRKZLXJGJPLXRD-UHFFFAOYSA-N -1 1 360.211 2.821 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3ncccc3c2)c1 ZINC000769701783 737555281 /nfs/dbraw/zinc/55/52/81/737555281.db2.gz OMSOHNYKMDTZPG-UHFFFAOYSA-N -1 1 357.391 2.564 20 10 FFCDMM COc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000775087909 738060383 /nfs/dbraw/zinc/06/03/83/738060383.db2.gz ZJMYSNYYSCDJSY-UHFFFAOYSA-N -1 1 366.215 2.558 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000775286749 738078787 /nfs/dbraw/zinc/07/87/87/738078787.db2.gz NDYSXTNMDZEKMF-HJWRWDBZSA-N -1 1 351.355 2.731 20 10 FFCDMM CN(C)Cc1csc(CNCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000922492021 738154359 /nfs/dbraw/zinc/15/43/59/738154359.db2.gz YPPUOPUMZQCQHY-UHFFFAOYSA-N -1 1 356.835 2.762 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC1(C(F)(F)F)CCOCC1 ZINC000932313327 739428939 /nfs/dbraw/zinc/42/89/39/739428939.db2.gz OPGRMACZNQFHTQ-UHFFFAOYSA-N -1 1 352.740 2.956 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(CC)c(C(=O)[O-])c1 ZINC000790409054 739449486 /nfs/dbraw/zinc/44/94/86/739449486.db2.gz LQZMWXMYMVJHDG-UHFFFAOYSA-N -1 1 365.407 2.852 20 10 FFCDMM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc2cc[nH]c2c1 ZINC000792578111 739683871 /nfs/dbraw/zinc/68/38/71/739683871.db2.gz JKNVWHGBEZRQBN-UHFFFAOYSA-N -1 1 359.407 2.522 20 10 FFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)[C@@H]1OCCc2sccc21 ZINC000796503980 740148264 /nfs/dbraw/zinc/14/82/64/740148264.db2.gz GSLHABYZWDMHEQ-QGHHPUGFSA-N -1 1 362.403 2.835 20 10 FFCDMM COCc1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000803212505 740775783 /nfs/dbraw/zinc/77/57/83/740775783.db2.gz CZHKGIXZVJVKFQ-UHFFFAOYSA-N -1 1 357.229 2.688 20 10 FFCDMM Cc1ccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)s1 ZINC000809535553 741311084 /nfs/dbraw/zinc/31/10/84/741311084.db2.gz NPQIIRQFPWFTNE-UHFFFAOYSA-N -1 1 365.436 2.774 20 10 FFCDMM CCOC(=O)[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC12COC2 ZINC000824490145 743090976 /nfs/dbraw/zinc/09/09/76/743090976.db2.gz XPTLGRZNBRXVMG-LBPRGKRZSA-N -1 1 360.237 2.711 20 10 FFCDMM C[C@@H]1[C@H](O)CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC000825104121 743210210 /nfs/dbraw/zinc/21/02/10/743210210.db2.gz OCWMHMIODOIRNY-RDDDGLTNSA-N -1 1 365.065 2.872 20 10 FFCDMM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@](C)(C(F)(F)F)O1 ZINC000832878174 745765174 /nfs/dbraw/zinc/76/51/74/745765174.db2.gz RKJNDBUPOUKVQT-AWEZNQCLSA-N -1 1 351.296 2.809 20 10 FFCDMM CC(C)(O)C(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000836652836 746276432 /nfs/dbraw/zinc/27/64/32/746276432.db2.gz GUMOHWYWJISPPR-UHFFFAOYSA-N -1 1 359.264 2.751 20 10 FFCDMM COC(=O)C1CC2(C1)C[N@H+](Cc1ccc3ccccc3c1[O-])C[C@@H]2C(=O)[O-] ZINC001593824596 955083457 /nfs/dbraw/zinc/08/34/57/955083457.db2.gz PJDLOYOMPALQGN-FIWNRLKKSA-N -1 1 369.417 2.631 20 10 FFCDMM COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc3ccccc3c1[O-])C[C@@H]2C(=O)[O-] ZINC001593824596 955083469 /nfs/dbraw/zinc/08/34/69/955083469.db2.gz PJDLOYOMPALQGN-FIWNRLKKSA-N -1 1 369.417 2.631 20 10 FFCDMM Cc1cc(O)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325278 958161613 /nfs/dbraw/zinc/16/16/13/958161613.db2.gz MLDAAYWLXNCVCL-CHWSQXEVSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325278 958161622 /nfs/dbraw/zinc/16/16/22/958161622.db2.gz MLDAAYWLXNCVCL-CHWSQXEVSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325278 958161629 /nfs/dbraw/zinc/16/16/29/958161629.db2.gz MLDAAYWLXNCVCL-CHWSQXEVSA-N -1 1 363.845 2.778 20 10 FFCDMM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279106362 960067917 /nfs/dbraw/zinc/06/79/17/960067917.db2.gz CPZDFDCGILFDPJ-OKILXGFUSA-N -1 1 360.364 2.556 20 10 FFCDMM O=C(COc1cccc(N2CCCC2=O)c1)NCc1cccc(Cl)c1[O-] ZINC000890757433 960314018 /nfs/dbraw/zinc/31/40/18/960314018.db2.gz DESUTRLMVJMEGT-UHFFFAOYSA-N -1 1 374.824 2.868 20 10 FFCDMM CN1CC[C@](Cc2ccccc2)(C(=O)NCc2cccc(Cl)c2[O-])C1=O ZINC000890761380 960328608 /nfs/dbraw/zinc/32/86/08/960328608.db2.gz QBKOLPKPQYVVKR-FQEVSTJZSA-N -1 1 372.852 2.753 20 10 FFCDMM O=C1CC[C@@H]2[C@@H](CCN2Cc2c(F)ccc(F)c2[O-])N1CC(F)(F)F ZINC001275957035 1013233190 /nfs/dbraw/zinc/23/31/90/1013233190.db2.gz OUIPYYJJLWOFOS-CHWSQXEVSA-N -1 1 364.314 2.798 20 10 FFCDMM CC(C)(C)OC(=O)N[C@]1(CO)CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000896980425 973114052 /nfs/dbraw/zinc/11/40/52/973114052.db2.gz RUJIESHGEZOORC-GOSISDBHSA-N -1 1 372.412 2.522 20 10 FFCDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1OC(F)F ZINC000916617431 989841024 /nfs/dbraw/zinc/84/10/24/989841024.db2.gz QQYBUJWFPGHVKF-UHFFFAOYSA-N -1 1 368.288 2.748 20 10 FFCDMM O=C(COC(=O)c1cnnc(-c2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC000811289680 995088145 /nfs/dbraw/zinc/08/81/45/995088145.db2.gz IBIGMROKGVVHGI-UHFFFAOYSA-N -1 1 350.330 2.595 20 10 FFCDMM Cc1nc(-c2ccc(NCCc3ccc(O)c(O)c3)nc2)[n-]c(=O)c1C ZINC000811811189 995259823 /nfs/dbraw/zinc/25/98/23/995259823.db2.gz OXNPVYXQFAOIRG-UHFFFAOYSA-N -1 1 352.394 2.927 20 10 FFCDMM COc1ccc(C(=O)[O-])c2c1CN(Cc1cc(C)cc(OC)c1O)CC2 ZINC001599393129 997075028 /nfs/dbraw/zinc/07/50/28/997075028.db2.gz XHVYVGJMGUTMJQ-UHFFFAOYSA-N -1 1 357.406 2.974 20 10 FFCDMM CCCCc1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1 ZINC000769795947 1000604785 /nfs/dbraw/zinc/60/47/85/1000604785.db2.gz USADKVGYHVWXIM-UHFFFAOYSA-N -1 1 371.470 2.725 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(N2CCCC2=O)c1 ZINC000789964201 1002241151 /nfs/dbraw/zinc/24/11/51/1002241151.db2.gz LJVVCQUKCNGDSQ-NSHDSACASA-N -1 1 358.369 2.855 20 10 FFCDMM CCCCCCNC(=O)[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000789967066 1002242678 /nfs/dbraw/zinc/24/26/78/1002242678.db2.gz UUXUWYFOHSGUBJ-CYBMUJFWSA-N -1 1 366.433 2.786 20 10 FFCDMM O=C(NCCCOc1cccc2cccnc21)c1c(F)ccc(O)c1[O-] ZINC000789973924 1002254936 /nfs/dbraw/zinc/25/49/36/1002254936.db2.gz AHDRMYYXNLRWQS-UHFFFAOYSA-N -1 1 356.353 2.984 20 10 FFCDMM COC(=O)c1cccc(C)c1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001197039729 1004042307 /nfs/dbraw/zinc/04/23/07/1004042307.db2.gz JGRFMUBOUCIYKR-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM Cc1nnc(-c2cccc(S(=O)(=O)Nc3cc(F)c([O-])cc3F)c2)o1 ZINC001192265174 1004109995 /nfs/dbraw/zinc/10/99/95/1004109995.db2.gz CGVBDDYFXIIJFJ-UHFFFAOYSA-N -1 1 367.333 2.830 20 10 FFCDMM CCc1noc([C@@H]2CCCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)n1 ZINC001193232812 1004411116 /nfs/dbraw/zinc/41/11/16/1004411116.db2.gz QFFRFQSFYYHTQS-SECBINFHSA-N -1 1 351.790 2.716 20 10 FFCDMM Cc1cc(O[C@@H]2CCCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)ncn1 ZINC001193233059 1004412481 /nfs/dbraw/zinc/41/24/81/1004412481.db2.gz UVRPQAFCQIJGSU-LLVKDONJSA-N -1 1 363.801 2.533 20 10 FFCDMM O=S(=O)([N-]c1ccc(O)c(F)c1F)c1ccc(C(F)(F)F)cn1 ZINC001194294923 1004709101 /nfs/dbraw/zinc/70/91/01/1004709101.db2.gz PWTSDUJJEATBGO-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM CC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1O ZINC001187581043 1006161914 /nfs/dbraw/zinc/16/19/14/1006161914.db2.gz GXLSUHUZYHTTEQ-UHFFFAOYSA-N -1 1 369.782 2.747 20 10 FFCDMM O=C(c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O)N1C2CCC1CC2 ZINC001152606701 1032202085 /nfs/dbraw/zinc/20/20/85/1032202085.db2.gz HWBPGOHVIGGSMH-UHFFFAOYSA-N -1 1 363.369 2.640 20 10 FFCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3C[C@H](O)C3)c21 ZINC001218427143 1033150177 /nfs/dbraw/zinc/15/01/77/1033150177.db2.gz SBKJXEZGQDBQGI-ZMNCSTGQSA-N -1 1 372.373 2.660 20 10 FFCDMM COC(=O)c1cccc2nc(NCC(=O)c3ccc([O-])c(O)c3)ccc21 ZINC001159280452 1027336257 /nfs/dbraw/zinc/33/62/57/1027336257.db2.gz RLNRAHKMZJDBCL-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM COc1ccc2cc([O-])c(C(=O)NCCc3cc(O)c(O)cc3O)cc2c1 ZINC001154754989 1028438662 /nfs/dbraw/zinc/43/86/62/1028438662.db2.gz USUGKMJGGWXXMU-UHFFFAOYSA-N -1 1 369.373 2.643 20 10 FFCDMM CN(Cc1nc2ccccc2o1)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155226176 1028634096 /nfs/dbraw/zinc/63/40/96/1028634096.db2.gz QAZUTKIXJRVQNX-UHFFFAOYSA-N -1 1 366.329 2.618 20 10 FFCDMM O=C(NCc1cccc2cc[nH]c21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235323 1028641908 /nfs/dbraw/zinc/64/19/08/1028641908.db2.gz ZUJRWKFSEPLLJI-UHFFFAOYSA-N -1 1 350.330 2.616 20 10 FFCDMM Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3cc(F)c(F)cc3[O-])O2)n1 ZINC001142512875 1030562545 /nfs/dbraw/zinc/56/25/45/1030562545.db2.gz OFUOONFJMHMPAV-FVQBIDKESA-N -1 1 351.353 2.856 20 10 FFCDMM O=C(CO[C@H]1CCCc2ccccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000797491232 1031130311 /nfs/dbraw/zinc/13/03/11/1031130311.db2.gz NSSKUQDCNIQMHM-IBGZPJMESA-N -1 1 356.374 2.918 20 10 FFCDMM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967608 1033865414 /nfs/dbraw/zinc/86/54/14/1033865414.db2.gz RJDIMKVGNAKTJI-BBATYDOGSA-N -1 1 368.836 2.729 20 10 FFCDMM CN1CC[C@@H](Oc2cc([O-])cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227029248 1034914586 /nfs/dbraw/zinc/91/45/86/1034914586.db2.gz GRSUEDXWNCQKSJ-CYBMUJFWSA-N -1 1 369.373 2.660 20 10 FFCDMM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686301 1035197866 /nfs/dbraw/zinc/19/78/66/1035197866.db2.gz SVKZLCGUMKCZCF-LBPRGKRZSA-N -1 1 356.413 2.566 20 10 FFCDMM Nc1cc(F)c(F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC001139974707 1035294229 /nfs/dbraw/zinc/29/42/29/1035294229.db2.gz KSJORFAVWNUVPB-UHFFFAOYSA-N -1 1 357.154 2.945 20 10 FFCDMM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584259 1035668686 /nfs/dbraw/zinc/66/86/86/1035668686.db2.gz KUDGHXZYNMDGMD-CYBMUJFWSA-N -1 1 356.413 2.566 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2nccc(C(F)(F)F)n2)CC1 ZINC001233334931 1036540122 /nfs/dbraw/zinc/54/01/22/1036540122.db2.gz ABPGQZYLBFUJAN-UHFFFAOYSA-N -1 1 374.313 2.801 20 10 FFCDMM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1c([O-])ccc(F)c1F ZINC001233336402 1036543299 /nfs/dbraw/zinc/54/32/99/1036543299.db2.gz KJFJSEJUBJWXRL-ZWKOTPCHSA-N -1 1 363.360 2.786 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c(O[C@@H]3CCn4ccnc43)cc([O-])c(O)c21 ZINC001229196982 1036547386 /nfs/dbraw/zinc/54/73/86/1036547386.db2.gz KQWSSZCSAYCZPN-CYBMUJFWSA-N -1 1 362.341 2.594 20 10 FFCDMM CC(C)CN1C[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387589 1036675489 /nfs/dbraw/zinc/67/54/89/1036675489.db2.gz LENRCEWCRJFJRF-GOSISDBHSA-N -1 1 370.852 2.644 20 10 FFCDMM CC[C@@H](C)N1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)OCC1=O ZINC001277829494 1036906845 /nfs/dbraw/zinc/90/68/45/1036906845.db2.gz DWWMRFUSQFKHJR-LLVKDONJSA-N -1 1 373.280 2.911 20 10 FFCDMM CCOC(=O)[C@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229829260 1036922689 /nfs/dbraw/zinc/92/26/89/1036922689.db2.gz PNYGMWZFSNBPTC-NSHDSACASA-N -1 1 354.358 2.806 20 10 FFCDMM O=C1CC[C@@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)O1 ZINC001235067747 1037339963 /nfs/dbraw/zinc/33/99/63/1037339963.db2.gz ZGHQLFZKIOHCFM-OAHLLOKOSA-N -1 1 358.207 2.965 20 10 FFCDMM O=C([O-])c1ccc(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c(O)c1 ZINC001231453717 1037595877 /nfs/dbraw/zinc/59/58/77/1037595877.db2.gz PDSWUYZVRZWHTO-UHFFFAOYSA-N -1 1 366.417 2.542 20 10 FFCDMM NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566088 1037690000 /nfs/dbraw/zinc/69/00/00/1037690000.db2.gz PUQNCBDAYHCITC-IEBWSBKVSA-N -1 1 368.433 2.714 20 10 FFCDMM O=S1(=O)CC[C@@H](CF)C12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236798610 1038277699 /nfs/dbraw/zinc/27/76/99/1038277699.db2.gz IOFXFNGFXLODIX-JTQLQIEISA-N -1 1 368.257 2.658 20 10 FFCDMM CCn1nnc2c1[C@H](COC)CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237122913 1038448626 /nfs/dbraw/zinc/44/86/26/1038448626.db2.gz FOBQOEHMYLIKDG-JTQLQIEISA-N -1 1 354.813 2.542 20 10 FFCDMM CCn1nnc2c1[C@@H](COC)CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237122918 1038449539 /nfs/dbraw/zinc/44/95/39/1038449539.db2.gz FOBQOEHMYLIKDG-SNVBAGLBSA-N -1 1 354.813 2.542 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)CCO1 ZINC001237124264 1038450689 /nfs/dbraw/zinc/45/06/89/1038450689.db2.gz NIIIXNHBBAEQFY-NSHDSACASA-N -1 1 374.840 2.910 20 10 FFCDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cc(F)c([O-])cc1F)C(=O)C2 ZINC001258973562 1039630541 /nfs/dbraw/zinc/63/05/41/1039630541.db2.gz KJCRFWCKMZZFNC-FVMDXXJSSA-N -1 1 359.394 2.808 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)Cc1ccc(Cl)cc1 ZINC001259240572 1039827215 /nfs/dbraw/zinc/82/72/15/1039827215.db2.gz CWVFRFPWSRAHQK-UHFFFAOYSA-N -1 1 355.799 2.774 20 10 FFCDMM CCCCN1CC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)OCC1=O ZINC001276744356 1042074932 /nfs/dbraw/zinc/07/49/32/1042074932.db2.gz RVIVKHHZEIIFGR-UHFFFAOYSA-N -1 1 372.387 2.624 20 10 FFCDMM O=C(Cc1ccsc1)N1CCC12CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279491145 1043178442 /nfs/dbraw/zinc/17/84/42/1043178442.db2.gz VSUVMZAQJMMPCI-UHFFFAOYSA-N -1 1 364.417 2.761 20 10 FFCDMM [O-]c1c(F)cccc1CN1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001279525640 1043223465 /nfs/dbraw/zinc/22/34/65/1043223465.db2.gz ULSDGNRRAHVFIV-UHFFFAOYSA-N -1 1 352.413 2.868 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCOC[C@H]1C1CC1 ZINC001237784299 1043356341 /nfs/dbraw/zinc/35/63/41/1043356341.db2.gz TWHYDGKZPFSTHL-ZDUSSCGKSA-N -1 1 359.207 2.608 20 10 FFCDMM [O-]c1c(CN2CC[C@H](CO)C2)cc(Br)cc1C(F)(F)F ZINC001237782596 1043355105 /nfs/dbraw/zinc/35/51/05/1043355105.db2.gz ZXVHLVIVXWFCHX-QMMMGPOBSA-N -1 1 354.166 2.988 20 10 FFCDMM C[NH+]1CC2(CN(Cc3cc(Br)cc(C(F)(F)F)c3O)C2)C1 ZINC001237785995 1043357955 /nfs/dbraw/zinc/35/79/55/1043357955.db2.gz MITKCZDZNSRDPI-UHFFFAOYSA-N -1 1 365.193 2.921 20 10 FFCDMM CN(C)C(=O)C[C@@H]1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2O1 ZINC001279976377 1044019848 /nfs/dbraw/zinc/01/98/48/1044019848.db2.gz UHCSIHQOBRAMAD-DGFSRKRXSA-N -1 1 373.280 2.767 20 10 FFCDMM Cc1cc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])n(C(C)(C)C)n1 ZINC001337386213 1054709358 /nfs/dbraw/zinc/70/93/58/1054709358.db2.gz VKZJCJXNHQTTAC-UHFFFAOYSA-N -1 1 364.833 2.560 20 10 FFCDMM C[S@@](=O)(=NS(=O)(=O)[N-]Cc1cccc(Cl)c1O)c1ccccc1 ZINC001475774351 1061267660 /nfs/dbraw/zinc/26/76/60/1061267660.db2.gz AQHMQTFDCYYHLL-QFIPXVFZSA-N -1 1 374.871 2.537 20 10 FFCDMM CCOC(=O)[C@@H]1[C@@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001462576541 1061679317 /nfs/dbraw/zinc/67/93/17/1061679317.db2.gz KEVFPQBZXUOFQX-MBNYWOFBSA-N -1 1 372.234 2.925 20 10 FFCDMM Cc1cc(C=O)c([O-])c(C(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001583677121 1079248833 /nfs/dbraw/zinc/24/88/33/1079248833.db2.gz UPZXUNBDDVGOBU-HNNXBMFYSA-N -1 1 368.433 2.841 20 10 FFCDMM COc1ccc(N2CC[C@@H](NC(=O)c3ncc4ccccc4c3[O-])C2)cc1 ZINC001584228913 1079325057 /nfs/dbraw/zinc/32/50/57/1079325057.db2.gz ASBDOVITERLSHY-OAHLLOKOSA-N -1 1 363.417 2.958 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001565471993 1076733515 /nfs/dbraw/zinc/73/35/15/1076733515.db2.gz YVGFONATXBQDCX-HAQNSBGRSA-N -1 1 369.849 2.901 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nccc3ccccc32)c1 ZINC001569030973 1077125498 /nfs/dbraw/zinc/12/54/98/1077125498.db2.gz NOGDLLGSUVBOTF-UHFFFAOYSA-N -1 1 357.391 2.564 20 10 FFCDMM CO[C@@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])n1 ZINC000267374243 509467238 /nfs/dbraw/zinc/46/72/38/509467238.db2.gz LBUWKMFLGBWFCW-JTQLQIEISA-N -1 1 353.806 2.971 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCO[C@@H](C2CC2)C1 ZINC000277414058 510961835 /nfs/dbraw/zinc/96/18/35/510961835.db2.gz KQFGYBIOXCLCGA-TZMCWYRMSA-N -1 1 369.259 2.912 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1noc2c1CCCC2 ZINC000277567565 510966009 /nfs/dbraw/zinc/96/60/09/510966009.db2.gz QEGMRNZOVPCLSR-UHFFFAOYSA-N -1 1 351.200 2.952 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323760 510989762 /nfs/dbraw/zinc/98/97/62/510989762.db2.gz YOOJGGAPUQIUCE-ZDUSSCGKSA-N -1 1 350.396 2.944 20 10 FFCDMM Cc1cc2c(cc1C)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000287183306 511044088 /nfs/dbraw/zinc/04/40/88/511044088.db2.gz ZQZMEQQIBXDUJE-UHFFFAOYSA-N -1 1 360.435 2.583 20 10 FFCDMM Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1 ZINC000529682524 517282390 /nfs/dbraw/zinc/28/23/90/517282390.db2.gz VSRFEDCGPJFJOD-UVARLRKDSA-N -1 1 358.301 2.949 20 10 FFCDMM Cc1cc(C(=O)CSc2c[nH]nn2)c(C)n1-c1ccc(C(=O)[O-])cc1 ZINC000832859161 601350030 /nfs/dbraw/zinc/35/00/30/601350030.db2.gz INEKYLPTIZQQAM-UHFFFAOYSA-N -1 1 356.407 2.885 20 10 FFCDMM O=C([O-])C[C@@H]1CCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000833211147 604983700 /nfs/dbraw/zinc/98/37/00/604983700.db2.gz TZSVONATWMVTTJ-AWEZNQCLSA-N -1 1 355.390 2.768 20 10 FFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1cccc(C)c1 ZINC000826295374 608014358 /nfs/dbraw/zinc/01/43/58/608014358.db2.gz DYHAHBVWSSFIQP-UHFFFAOYSA-N -1 1 361.409 2.662 20 10 FFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1cccc(C)c1 ZINC000826295374 608014359 /nfs/dbraw/zinc/01/43/59/608014359.db2.gz DYHAHBVWSSFIQP-UHFFFAOYSA-N -1 1 361.409 2.662 20 10 FFCDMM COc1ccccc1CN(CCO)Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000091790338 728462322 /nfs/dbraw/zinc/46/23/22/728462322.db2.gz STQZSSAFDRNSEL-UHFFFAOYSA-N -1 1 366.801 2.957 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)C(C)(C)C)CC2)c1[O-] ZINC000177250888 729132429 /nfs/dbraw/zinc/13/24/29/729132429.db2.gz FUOMADMHVVYVQI-UHFFFAOYSA-N -1 1 352.862 2.939 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(Oc2cncc(Cl)c2)CC1 ZINC000857262377 730388160 /nfs/dbraw/zinc/38/81/60/730388160.db2.gz INRUYYPVXQVEQH-UHFFFAOYSA-N -1 1 366.776 2.969 20 10 FFCDMM C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000879774205 732766052 /nfs/dbraw/zinc/76/60/52/732766052.db2.gz FKIJHHBIKAMKEC-YMTOWFKASA-N -1 1 364.243 2.860 20 10 FFCDMM O=C(NCc1cnn(CC(F)(F)F)c1)NCc1cccc(Cl)c1[O-] ZINC000893703843 734739408 /nfs/dbraw/zinc/73/94/08/734739408.db2.gz UJTJKGDUALBIBR-UHFFFAOYSA-N -1 1 362.739 2.804 20 10 FFCDMM O=C(COC(=O)C(F)(F)c1c(F)cccc1F)c1ccc([O-])c(O)c1 ZINC000784385582 738885617 /nfs/dbraw/zinc/88/56/17/738885617.db2.gz JMAHVIAPOIFVIP-UHFFFAOYSA-N -1 1 358.243 2.894 20 10 FFCDMM C[C@H]1CC2(CC(NC(=O)NCc3cccc(Br)c3[O-])C2)CO1 ZINC000897810843 735279849 /nfs/dbraw/zinc/27/98/49/735279849.db2.gz ONSPGHHHXKTBGM-LWOUBBNUSA-N -1 1 369.259 2.912 20 10 FFCDMM Cc1cc(Cl)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1O ZINC000747934155 735603941 /nfs/dbraw/zinc/60/39/41/735603941.db2.gz IDGRPCBZSXANCG-UHFFFAOYSA-N -1 1 370.814 2.683 20 10 FFCDMM O=S(=O)(Nc1ccccc1-n1cccn1)c1cc(F)cc(F)c1[O-] ZINC000753022400 736032296 /nfs/dbraw/zinc/03/22/96/736032296.db2.gz VXHMQMWVBLBXAP-UHFFFAOYSA-N -1 1 351.334 2.657 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@@H]32)c1[O-] ZINC000753855974 736101667 /nfs/dbraw/zinc/10/16/67/736101667.db2.gz LJWIFGYJGVNXOC-JKSUJKDBSA-N -1 1 371.886 2.790 20 10 FFCDMM CCc1noc(-c2cc([N-]S(=O)(=O)c3cccs3)ccc2O)n1 ZINC000758276554 736471750 /nfs/dbraw/zinc/47/17/50/736471750.db2.gz DJMIJFCQLIINGT-UHFFFAOYSA-N -1 1 351.409 2.867 20 10 FFCDMM Cc1ccc(F)cc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000761623042 736748929 /nfs/dbraw/zinc/74/89/29/736748929.db2.gz WGTGERADKWLPRR-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM COCCOc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000908327876 736758645 /nfs/dbraw/zinc/75/86/45/736758645.db2.gz HXHRXKDLMIKRRR-UHFFFAOYSA-N -1 1 371.842 2.549 20 10 FFCDMM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000761900360 736769623 /nfs/dbraw/zinc/76/96/23/736769623.db2.gz IKQJFPYPELIDKT-UHFFFAOYSA-N -1 1 369.782 2.747 20 10 FFCDMM NC(=O)c1ccc(NCc2cccc(Br)c2[O-])c([N+](=O)[O-])c1 ZINC000764934872 737065198 /nfs/dbraw/zinc/06/51/98/737065198.db2.gz PNJSKNYNDPQZAR-UHFFFAOYSA-N -1 1 366.171 2.774 20 10 FFCDMM O=C(COc1ccccc1O)NCc1cccc(Br)c1[O-] ZINC000765725934 737149537 /nfs/dbraw/zinc/14/95/37/737149537.db2.gz AJQBWVGHWZDKFX-UHFFFAOYSA-N -1 1 352.184 2.556 20 10 FFCDMM C[C@@](O)(Cc1ccccc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765733343 737150742 /nfs/dbraw/zinc/15/07/42/737150742.db2.gz XSKUGPQAORGDOV-QGZVFWFLSA-N -1 1 364.239 2.765 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-n2cccn2)ccn1 ZINC000765737667 737151280 /nfs/dbraw/zinc/15/12/80/737151280.db2.gz VISDPHGTJFRJDQ-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM Cn1nc(C(=O)NCc2cccc(Br)c2[O-])cc1C1CC1 ZINC000765755172 737154315 /nfs/dbraw/zinc/15/43/15/737154315.db2.gz HSIYDUCTLRPLMN-UHFFFAOYSA-N -1 1 350.216 2.696 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1COc2ccccc2O1 ZINC000765756883 737154869 /nfs/dbraw/zinc/15/48/69/737154869.db2.gz NZDVUHYZSXWGRW-AWEZNQCLSA-N -1 1 364.195 2.611 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)c(F)c1 ZINC000773251483 737885136 /nfs/dbraw/zinc/88/51/36/737885136.db2.gz KJPUUGVVBJJYSA-UHFFFAOYSA-N -1 1 353.371 2.681 20 10 FFCDMM Cc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c(C)c1O ZINC000774828656 738030570 /nfs/dbraw/zinc/03/05/70/738030570.db2.gz LXHYROWULHJWSF-UHFFFAOYSA-N -1 1 364.423 2.647 20 10 FFCDMM COc1c([O-])c(CN2CCC[C@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774876987 738034915 /nfs/dbraw/zinc/03/49/15/738034915.db2.gz HHNKIKGLVSJDBE-ZDUSSCGKSA-N -1 1 352.387 2.615 20 10 FFCDMM C[C@@H]1OCC[C@@]12CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931298 739515580 /nfs/dbraw/zinc/51/55/80/739515580.db2.gz GGYZSOIRTRTDAX-OHUAYANFSA-N -1 1 356.806 2.722 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1sccc1Cl ZINC000830167157 745316851 /nfs/dbraw/zinc/31/68/51/745316851.db2.gz HPGOOIBJMLDYGG-UHFFFAOYSA-N -1 1 372.899 2.717 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCCC[C@@H]2CS(C)(=O)=O)c1[O-] ZINC000831782035 745583528 /nfs/dbraw/zinc/58/35/28/745583528.db2.gz ABHFACYVXHZRIG-CQSZACIVSA-N -1 1 359.875 2.647 20 10 FFCDMM CC(C)(C)CCC1(O)CC(C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000838097398 746573603 /nfs/dbraw/zinc/57/36/03/746573603.db2.gz JTCKFICTZSDLKC-UHFFFAOYSA-N -1 1 350.411 2.791 20 10 FFCDMM COC1([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000840457312 747098285 /nfs/dbraw/zinc/09/82/85/747098285.db2.gz OKMAUQQEXYVPIR-JTQLQIEISA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(COC(=O)[C@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000845316012 748225820 /nfs/dbraw/zinc/22/58/20/748225820.db2.gz FAMCKYHVIKRTFA-QWRGUYRKSA-N -1 1 362.300 2.571 20 10 FFCDMM CCc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1CCC(C)C ZINC000784961606 960476055 /nfs/dbraw/zinc/47/60/55/960476055.db2.gz ZPZPBJURKHZNJU-UHFFFAOYSA-N -1 1 360.410 2.943 20 10 FFCDMM CCOCCN1C[C@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275950943 1013223734 /nfs/dbraw/zinc/22/37/34/1013223734.db2.gz BQKMNQKHNPZDMO-LJQANCHMSA-N -1 1 368.424 2.664 20 10 FFCDMM COC(=O)c1coc(=O)c(NCc2cc(Cl)c3cccnc3c2[O-])c1 ZINC001168523233 990233756 /nfs/dbraw/zinc/23/37/56/990233756.db2.gz MBDJSFHIGMFUHC-UHFFFAOYSA-N -1 1 360.753 2.946 20 10 FFCDMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)n1-c1cccc(C)c1 ZINC000183424616 992444515 /nfs/dbraw/zinc/44/45/15/992444515.db2.gz YYQWFIFFWWPQEM-ZDUSSCGKSA-N -1 1 352.442 2.791 20 10 FFCDMM C[C@@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(F)cc(F)c1[O-] ZINC000812740319 995520709 /nfs/dbraw/zinc/52/07/09/995520709.db2.gz CETCIYAEYIUHFM-GFCCVEGCSA-N -1 1 361.392 2.775 20 10 FFCDMM COc1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CCO2 ZINC000824908638 997133888 /nfs/dbraw/zinc/13/38/88/997133888.db2.gz AVDDTNAZCIDZLU-UHFFFAOYSA-N -1 1 360.366 2.712 20 10 FFCDMM CN1CCN(c2ccc(/C=C\c3ncc([N+](=O)[O-])cc3C(=O)[O-])cc2)CC1 ZINC000771517396 1001135271 /nfs/dbraw/zinc/13/52/71/1001135271.db2.gz GRCFZVCXNKHUJO-DAXSKMNVSA-N -1 1 368.393 2.610 20 10 FFCDMM Cc1ccc(NCCCNC(=O)c2c(F)ccc(O)c2[O-])c([N+](=O)[O-])c1 ZINC000789981155 1002245325 /nfs/dbraw/zinc/24/53/25/1002245325.db2.gz KTSWAKBWXYSQBH-UHFFFAOYSA-N -1 1 363.345 2.686 20 10 FFCDMM CCOC(=O)[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774942335 1003081445 /nfs/dbraw/zinc/08/14/45/1003081445.db2.gz QBEZCKRHJRBVFC-OAHLLOKOSA-N -1 1 374.393 2.573 20 10 FFCDMM O=C(CNc1ccnc(Cc2ccc(F)cc2)n1)c1ccc([O-])c(O)c1 ZINC001170315945 1003106142 /nfs/dbraw/zinc/10/61/42/1003106142.db2.gz KLMMUHSCXWNOET-UHFFFAOYSA-N -1 1 353.353 2.913 20 10 FFCDMM COc1c([O-])c(CNCc2nc(-c3ccccc3)no2)ccc1[N+](=O)[O-] ZINC000775068343 1003510349 /nfs/dbraw/zinc/51/03/49/1003510349.db2.gz NMUYAVXIJNGABU-UHFFFAOYSA-N -1 1 356.338 2.649 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(OC(F)F)cc1 ZINC001192203826 1004084312 /nfs/dbraw/zinc/08/43/12/1004084312.db2.gz FOWQSHMELOYUDP-UHFFFAOYSA-N -1 1 352.293 2.704 20 10 FFCDMM O=C(CNC(=S)NCc1ccc(Cl)cc1)c1ccc([O-])c(O)c1 ZINC001197597801 1004293620 /nfs/dbraw/zinc/29/36/20/1004293620.db2.gz ZLQJLEBVVAFTIR-UHFFFAOYSA-N -1 1 350.827 2.598 20 10 FFCDMM COc1ccc(O[C@H](C)CNC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193236640 1004412319 /nfs/dbraw/zinc/41/23/19/1004412319.db2.gz KSTPJLQBGPFDBU-SNVBAGLBSA-N -1 1 351.786 2.957 20 10 FFCDMM Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001195882270 1005067912 /nfs/dbraw/zinc/06/79/12/1005067912.db2.gz MARGZBZPFRHZED-UHFFFAOYSA-N -1 1 356.787 2.741 20 10 FFCDMM CCOC(=O)Cc1cnc(NC(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001206420690 1032275041 /nfs/dbraw/zinc/27/50/41/1032275041.db2.gz YCBHHURCKXHBKH-UHFFFAOYSA-N -1 1 369.830 2.929 20 10 FFCDMM CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409859 1009684307 /nfs/dbraw/zinc/68/43/07/1009684307.db2.gz HDTDWJMBBRIZIV-GJIAFCOMSA-N -1 1 368.886 2.920 20 10 FFCDMM COc1cnc([C@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)[n-]c1=O ZINC000934274022 1021182458 /nfs/dbraw/zinc/18/24/58/1021182458.db2.gz OARUKSZXDFRZHR-CQSZACIVSA-N -1 1 361.373 2.575 20 10 FFCDMM COc1c([O-])c(CN2CCn3c(nnc3C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC001116811520 1021431578 /nfs/dbraw/zinc/43/15/78/1021431578.db2.gz HFBQVFLPVBFWSX-UHFFFAOYSA-N -1 1 373.413 2.574 20 10 FFCDMM CN(Cc1cn2c(n1)CN(Cc1c([O-])cccc1F)CC2)Cc1ccco1 ZINC001137836110 1033176270 /nfs/dbraw/zinc/17/62/70/1033176270.db2.gz VSPZXCZCWOACMK-UHFFFAOYSA-N -1 1 370.428 2.969 20 10 FFCDMM O=C(COC(=O)C1(Cc2ccccc2)CCOCC1)c1ccc([O-])c(O)c1 ZINC000838187721 1026248893 /nfs/dbraw/zinc/24/88/93/1026248893.db2.gz SVLRHABFGRDKEP-UHFFFAOYSA-N -1 1 370.401 2.863 20 10 FFCDMM O=C(CCn1cc(Br)cn1)NCc1cccc(Cl)c1[O-] ZINC001159034702 1027239970 /nfs/dbraw/zinc/23/99/70/1027239970.db2.gz ZZDIZACGRJHMNI-UHFFFAOYSA-N -1 1 358.623 2.711 20 10 FFCDMM O=C(CNC(F)(F)COc1cccc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159278936 1027332305 /nfs/dbraw/zinc/33/23/05/1027332305.db2.gz GNHXUDBAYCMGPV-UHFFFAOYSA-N -1 1 358.728 2.590 20 10 FFCDMM O=C(Nc1cc(Cl)nnc1Cl)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222832 1028631655 /nfs/dbraw/zinc/63/16/55/1028631655.db2.gz VQVCFNWONBZTMU-UHFFFAOYSA-N -1 1 368.132 2.553 20 10 FFCDMM O=C(Nc1cc(-c2ccncc2)no1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222932 1028632048 /nfs/dbraw/zinc/63/20/48/1028632048.db2.gz WJXVGZKTMPNLRQ-UHFFFAOYSA-N -1 1 365.301 2.507 20 10 FFCDMM O=C(Nc1cccc(Cl)c1CO)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227570 1028635336 /nfs/dbraw/zinc/63/53/36/1028635336.db2.gz AHDYSMFLDVAINX-UHFFFAOYSA-N -1 1 361.737 2.602 20 10 FFCDMM CC(C)(C)OC(=O)NCC(F)(F)CNCc1cc(F)c(F)cc1[O-] ZINC001205475512 1031775584 /nfs/dbraw/zinc/77/55/84/1031775584.db2.gz OKWMVIFJCYLBIM-UHFFFAOYSA-N -1 1 352.328 2.920 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829817189 1033353341 /nfs/dbraw/zinc/35/33/41/1033353341.db2.gz KXQVKRGALZVTDP-MNOVXSKESA-N -1 1 368.405 2.803 20 10 FFCDMM COc1ccccc1O[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000831920576 1034408110 /nfs/dbraw/zinc/40/81/10/1034408110.db2.gz NZKHCTGDTKVCLV-GFCCVEGCSA-N -1 1 361.369 2.929 20 10 FFCDMM COC(C[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)OC ZINC001227579969 1035615947 /nfs/dbraw/zinc/61/59/47/1035615947.db2.gz CNHCOCKIZMYLTA-NSHDSACASA-N -1 1 356.374 2.944 20 10 FFCDMM CC[C@H](C)N1C[C@@]2(F)CN(Cc3cc(Cl)c([O-])cc3O)C[C@@]2(F)C1=O ZINC001277663192 1035681670 /nfs/dbraw/zinc/68/16/70/1035681670.db2.gz ZNBDJOYLHIFDOC-PZDALLCQSA-N -1 1 374.815 2.624 20 10 FFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1CCn2ccnc21 ZINC001228115201 1035941509 /nfs/dbraw/zinc/94/15/09/1035941509.db2.gz MJKVAXXIKXVERG-HNNXBMFYSA-N -1 1 352.346 2.755 20 10 FFCDMM CCO[C@@H]1CCCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233307476 1036511604 /nfs/dbraw/zinc/51/16/04/1036511604.db2.gz DYSAGRNOYAYWFU-CYBMUJFWSA-N -1 1 372.259 2.942 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])ccc(F)c1F)[C@H]2C ZINC001233336631 1036544333 /nfs/dbraw/zinc/54/43/33/1036544333.db2.gz TZRKRZDVKKSZLP-JTQLQIEISA-N -1 1 351.353 2.620 20 10 FFCDMM CCOC(=O)[C@@H](C)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)C(F)(F)F ZINC001234473660 1037052165 /nfs/dbraw/zinc/05/21/65/1037052165.db2.gz JUFITZVAKZGXDA-WPPNPWJKSA-N -1 1 350.289 2.809 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]12 ZINC001234477659 1037053304 /nfs/dbraw/zinc/05/33/04/1037053304.db2.gz VJEQMWIGPOLABL-AXAPSJFSSA-N -1 1 363.410 2.935 20 10 FFCDMM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(F)cc(Br)c3[O-])C[C@@H]21 ZINC001235305179 1037464019 /nfs/dbraw/zinc/46/40/19/1037464019.db2.gz JVXPPLUITZZSJU-PJXYFTJBSA-N -1 1 358.207 2.535 20 10 FFCDMM CC[C@@H](C)N1C(=O)COCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001277992428 1038168655 /nfs/dbraw/zinc/16/86/55/1038168655.db2.gz GVPAQLYRJCRFPP-LLVKDONJSA-N -1 1 373.280 2.911 20 10 FFCDMM Cc1cc(Br)c(O)c(C[NH+]2CCC3(CCOC3=O)CC2)c1 ZINC001236671755 1038184887 /nfs/dbraw/zinc/18/48/87/1038184887.db2.gz XXXGGLRSSVHXNW-UHFFFAOYSA-N -1 1 354.244 2.992 20 10 FFCDMM CCN(CC)c1ccc(CNS(=O)(=O)c2cc(OC)ccc2[O-])cc1 ZINC001208424642 1038304861 /nfs/dbraw/zinc/30/48/61/1038304861.db2.gz FDHMXADQPJBCHD-UHFFFAOYSA-N -1 1 364.467 2.726 20 10 FFCDMM COc1cccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1OC ZINC001214006822 1041158368 /nfs/dbraw/zinc/15/83/68/1041158368.db2.gz ZGAIEUKPOCQWAA-UHFFFAOYSA-N -1 1 357.815 2.541 20 10 FFCDMM O=C(Cc1ccsc1)N1CC2(CN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001279490571 1043176099 /nfs/dbraw/zinc/17/60/99/1043176099.db2.gz SFGDQOHSZUZARZ-UHFFFAOYSA-N -1 1 364.417 2.619 20 10 FFCDMM COC(=O)c1cnc2c(c1)CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237943953 1043448702 /nfs/dbraw/zinc/44/87/02/1043448702.db2.gz RAJRLQVAPYBPGK-UHFFFAOYSA-N -1 1 350.777 2.925 20 10 FFCDMM O=c1cccc(CN2C[C@H]3C[C@@H](C2)N3Cc2c([O-])ccc(F)c2Cl)[nH]1 ZINC001279683795 1043464025 /nfs/dbraw/zinc/46/40/25/1043464025.db2.gz JCJXKPUQFDKFKW-BETUJISGSA-N -1 1 363.820 2.744 20 10 FFCDMM Cc1cnc(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(F)c2)c([O-])c1 ZINC001543233484 1071422709 /nfs/dbraw/zinc/42/27/09/1071422709.db2.gz MTZRKVZGKYKVPI-KBPBESRZSA-N -1 1 373.428 2.778 20 10 FFCDMM COc1c([O-])c(CN[C@@H](C)C(=O)OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000848922310 1055371314 /nfs/dbraw/zinc/37/13/14/1055371314.db2.gz OSGXXPLVAVLGQT-LBPRGKRZSA-N -1 1 360.366 2.531 20 10 FFCDMM Nc1cc([N+](=O)[O-])ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001448954657 1058846570 /nfs/dbraw/zinc/84/65/70/1058846570.db2.gz APWQCJQIKWTFNY-UHFFFAOYSA-N -1 1 366.171 2.575 20 10 FFCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])nn1-c1nc(C)cc(C)n1 ZINC001457035549 1060258451 /nfs/dbraw/zinc/25/84/51/1060258451.db2.gz IXNXYVBKFWJIIY-UHFFFAOYSA-N -1 1 371.828 2.877 20 10 FFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1n[nH]c2ccc([N+](=O)[O-])cc21 ZINC001459790137 1060818170 /nfs/dbraw/zinc/81/81/70/1060818170.db2.gz WVILOPWNTNOHHW-UHFFFAOYSA-N -1 1 358.701 2.913 20 10 FFCDMM C[S@](=O)(=NS(=O)(=O)[N-]Cc1cccc(Cl)c1O)c1ccccc1 ZINC001475774350 1061266406 /nfs/dbraw/zinc/26/64/06/1061266406.db2.gz AQHMQTFDCYYHLL-JOCHJYFZSA-N -1 1 374.871 2.537 20 10 FFCDMM CN(C)C(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001477303736 1061664269 /nfs/dbraw/zinc/66/42/69/1061664269.db2.gz DURJCUXNVZXYTA-UHFFFAOYSA-N -1 1 361.829 2.747 20 10 FFCDMM COc1nscc1NC(=O)NCc1cccc(Br)c1[O-] ZINC001467214704 1063672323 /nfs/dbraw/zinc/67/23/23/1063672323.db2.gz UAZPMXZZYAYDIG-UHFFFAOYSA-N -1 1 358.217 2.942 20 10 FFCDMM Cc1ncccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC001470992372 1064519774 /nfs/dbraw/zinc/51/97/74/1064519774.db2.gz TUIDFQMKXXELLP-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM COc1ccc(OC)c([C@H](C)NC(=O)CN(C)Cc2ccccc2O)c1 ZINC000264604570 509618941 /nfs/dbraw/zinc/61/89/41/509618941.db2.gz LEMAZCUAHIJVFM-AWEZNQCLSA-N -1 1 358.438 2.719 20 10 FFCDMM CCCC(=O)N1CCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277387583 510961409 /nfs/dbraw/zinc/96/14/09/510961409.db2.gz AHAGTLFMCCGXKH-ZDUSSCGKSA-N -1 1 369.259 2.562 20 10 FFCDMM CC(C)c1nnc(CCC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000277610594 510967303 /nfs/dbraw/zinc/96/73/03/510967303.db2.gz VHELTUSPFCBLJO-UHFFFAOYSA-N -1 1 368.231 2.910 20 10 FFCDMM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000271983650 511391206 /nfs/dbraw/zinc/39/12/06/511391206.db2.gz XPDOCCVKLJMCEM-UHFFFAOYSA-N -1 1 369.464 2.522 20 10 FFCDMM COc1ccc(N2CCN(Cc3ccsc3C(=O)[O-])CC2)cc1F ZINC000832384248 601493692 /nfs/dbraw/zinc/49/36/92/601493692.db2.gz VVMYZDXBBCPITK-UHFFFAOYSA-N -1 1 350.415 2.916 20 10 FFCDMM C[C@H](c1ccccc1)N(CC(=O)NCCC(=O)[O-])Cc1ccccc1O ZINC000827948803 601762116 /nfs/dbraw/zinc/76/21/16/601762116.db2.gz DXZYTLSADQRQKD-OAHLLOKOSA-N -1 1 356.422 2.546 20 10 FFCDMM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000161178969 728929548 /nfs/dbraw/zinc/92/95/48/728929548.db2.gz GENMZDOIORIXAS-QMMMGPOBSA-N -1 1 361.341 2.858 20 10 FFCDMM Cc1ncccc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000898926710 735423708 /nfs/dbraw/zinc/42/37/08/735423708.db2.gz IYSBGFPLUCKMGE-UHFFFAOYSA-N -1 1 364.243 2.900 20 10 FFCDMM COc1cccc(CNC(=O)c2ccc(Br)cc2[O-])c1O ZINC000105649447 728507666 /nfs/dbraw/zinc/50/76/66/728507666.db2.gz LMTZDIJZCOHNLS-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(F)c(F)c3)no2)c1 ZINC000184846640 729334545 /nfs/dbraw/zinc/33/45/45/729334545.db2.gz CQDWWJPATBBZRK-UHFFFAOYSA-N -1 1 367.333 2.759 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1cc(Cl)ccc1[O-] ZINC000856209775 730316056 /nfs/dbraw/zinc/31/60/56/730316056.db2.gz AZRQWTBSLUYCPR-UHFFFAOYSA-N -1 1 360.841 2.937 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(CC2CC2)c1 ZINC000867830582 731231435 /nfs/dbraw/zinc/23/14/35/731231435.db2.gz CKOJXYOKPOULLP-UHFFFAOYSA-N -1 1 350.216 2.691 20 10 FFCDMM Cc1nccnc1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000873243859 731895227 /nfs/dbraw/zinc/89/52/27/731895227.db2.gz NTLNSGXOIHRNOT-SNVBAGLBSA-N -1 1 365.231 2.814 20 10 FFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000874048063 732001237 /nfs/dbraw/zinc/00/12/37/732001237.db2.gz IBQWREKBWHMJQJ-WDEREUQCSA-N -1 1 367.808 2.609 20 10 FFCDMM O=C1N[C@H](c2c([O-])cccc2Br)N2CCc3ccccc3[C@H]12 ZINC000877857018 732445370 /nfs/dbraw/zinc/44/53/70/732445370.db2.gz KJCHIQHYCXBKBB-CVEARBPZSA-N -1 1 359.223 2.883 20 10 FFCDMM COC(=O)[C@@H](Cc1cncs1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000879993621 732815674 /nfs/dbraw/zinc/81/56/74/732815674.db2.gz YVYNBIRQPPEAPR-CQSZACIVSA-N -1 1 368.842 2.579 20 10 FFCDMM Cc1nc([C@@H]2COCCN2Cc2cc(C)cc(Br)c2[O-])no1 ZINC000781920524 738673065 /nfs/dbraw/zinc/67/30/65/738673065.db2.gz NCNSXZXPSGFDOJ-ZDUSSCGKSA-N -1 1 368.231 2.728 20 10 FFCDMM C[C@@H](NCc1cc(Br)cc(F)c1[O-])c1nnc2n1CCC2 ZINC000882886433 733307857 /nfs/dbraw/zinc/30/78/57/733307857.db2.gz UDYPUIRWQLBBFO-MRVPVSSYSA-N -1 1 355.211 2.682 20 10 FFCDMM CS(=O)(=O)N1CCc2c1cccc2NCc1cc(F)cc(F)c1[O-] ZINC000883088016 733330684 /nfs/dbraw/zinc/33/06/84/733330684.db2.gz QLQAEGXJZGLMCY-UHFFFAOYSA-N -1 1 354.378 2.605 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccoc1C1(O)CCOCC1 ZINC000890759700 734336837 /nfs/dbraw/zinc/33/68/37/734336837.db2.gz OZWYWZLRPIWVHF-UHFFFAOYSA-N -1 1 351.786 2.567 20 10 FFCDMM O=C(COC(=O)c1cc(F)c(Cl)nc1Cl)c1ccc([O-])c(O)c1 ZINC000783410988 738804530 /nfs/dbraw/zinc/80/45/30/738804530.db2.gz QXTDEIMJSVNNCW-UHFFFAOYSA-N -1 1 360.124 2.978 20 10 FFCDMM CCOc1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000783627401 738820644 /nfs/dbraw/zinc/82/06/44/738820644.db2.gz BVXBQJBKLOSFJF-UHFFFAOYSA-N -1 1 351.742 2.585 20 10 FFCDMM O=C(COC(=O)c1cnc(-c2ccncc2)s1)c1ccc([O-])c(O)c1 ZINC000783854264 738842497 /nfs/dbraw/zinc/84/24/97/738842497.db2.gz FMZFVELKVCNXNV-UHFFFAOYSA-N -1 1 356.359 2.656 20 10 FFCDMM Cc1nc([C@@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)no1 ZINC000896229350 735122123 /nfs/dbraw/zinc/12/21/23/735122123.db2.gz BSYFPHLFBRXKAB-SECBINFHSA-N -1 1 356.195 2.975 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000897198825 735205780 /nfs/dbraw/zinc/20/57/80/735205780.db2.gz BZIUVZWRKXLALJ-GXTWGEPZSA-N -1 1 369.259 2.912 20 10 FFCDMM CCOC(=O)N[C@@H]1CCCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C1 ZINC000748051371 735611910 /nfs/dbraw/zinc/61/19/10/735611910.db2.gz RXPNNYCMTUCDCQ-CQSZACIVSA-N -1 1 354.834 2.959 20 10 FFCDMM COC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1cccc(O)c1 ZINC000759871834 736601392 /nfs/dbraw/zinc/60/13/92/736601392.db2.gz XTEYDVNRKPXQHW-INIZCTEOSA-N -1 1 363.797 2.958 20 10 FFCDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761995931 736780844 /nfs/dbraw/zinc/78/08/44/736780844.db2.gz PSMYJVALEDNLJQ-UHFFFAOYSA-N -1 1 365.407 2.987 20 10 FFCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCO1 ZINC000764798211 737050417 /nfs/dbraw/zinc/05/04/17/737050417.db2.gz BKLAVMIRSSQLPR-OLZOCXBDSA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(NCc1cccc(CO)c1)NCc1cccc(Br)c1[O-] ZINC000764799330 737051069 /nfs/dbraw/zinc/05/10/69/737051069.db2.gz JSBVSKWNDIRUSR-UHFFFAOYSA-N -1 1 365.227 2.646 20 10 FFCDMM NC(=O)c1cccc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765236227 737099717 /nfs/dbraw/zinc/09/97/17/737099717.db2.gz YEXZDSAQTBCJBX-UHFFFAOYSA-N -1 1 364.199 2.575 20 10 FFCDMM O=C(CCOCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000765727926 737149623 /nfs/dbraw/zinc/14/96/23/737149623.db2.gz RGJINQRUBWCNCO-UHFFFAOYSA-N -1 1 356.138 2.740 20 10 FFCDMM C[S@@](=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765754675 737154087 /nfs/dbraw/zinc/15/40/87/737154087.db2.gz VQEBEWOBHQXMQE-OAQYLSRUSA-N -1 1 368.252 2.822 20 10 FFCDMM O=S(=O)(Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000766207497 737207639 /nfs/dbraw/zinc/20/76/39/737207639.db2.gz OICIVOPSIAZGDO-UHFFFAOYSA-N -1 1 356.241 2.774 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)c(C)c1 ZINC000775286136 738078161 /nfs/dbraw/zinc/07/81/61/738078161.db2.gz DUEUMZWBSBJXDV-UHFFFAOYSA-N -1 1 365.407 2.605 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(F)c(C(=O)[O-])c1 ZINC000790409697 739449315 /nfs/dbraw/zinc/44/93/15/739449315.db2.gz UWXVTFHPJMMSNH-UHFFFAOYSA-N -1 1 369.370 2.737 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1 ZINC000790417815 739451495 /nfs/dbraw/zinc/45/14/95/739451495.db2.gz PYNXQOQMXREVMY-UHFFFAOYSA-N -1 1 352.368 2.672 20 10 FFCDMM CN(C)c1ccc(CNC(=O)CSc2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000809987092 741370067 /nfs/dbraw/zinc/37/00/67/741370067.db2.gz QWKPFUPUPZOBBO-UHFFFAOYSA-N -1 1 368.409 2.594 20 10 FFCDMM O=C([N-]C[C@@H]1Cc2ccccc2N1C(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000817770157 742210215 /nfs/dbraw/zinc/21/02/15/742210215.db2.gz GDNBTWYWFJXATC-JTQLQIEISA-N -1 1 370.352 2.704 20 10 FFCDMM CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824627675 743118825 /nfs/dbraw/zinc/11/88/25/743118825.db2.gz SAPOUDLCLFOLHQ-CQSZACIVSA-N -1 1 355.276 2.988 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(Cc2ccccc2Cl)CC1 ZINC000827023298 743490656 /nfs/dbraw/zinc/49/06/56/743490656.db2.gz WRMWVNKFVDTXLR-UHFFFAOYSA-N -1 1 364.804 2.848 20 10 FFCDMM CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000830924335 745450887 /nfs/dbraw/zinc/45/08/87/745450887.db2.gz ZJOXEMPMVSMLFP-SNVBAGLBSA-N -1 1 356.394 2.612 20 10 FFCDMM CC(=O)N[C@H](CCC(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000834476149 745846339 /nfs/dbraw/zinc/84/63/39/745846339.db2.gz OZPZJYBATAQSJJ-CQSZACIVSA-N -1 1 371.275 2.712 20 10 FFCDMM COC1(CNC(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000836501548 746239877 /nfs/dbraw/zinc/23/98/77/746239877.db2.gz HHIDNJXPIHTFNJ-UHFFFAOYSA-N -1 1 357.248 2.913 20 10 FFCDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])c2nccn21 ZINC000836630069 746272706 /nfs/dbraw/zinc/27/27/06/746272706.db2.gz YEZKZOLAQCGFIE-BXKDBHETSA-N -1 1 365.231 2.856 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000840914874 747223520 /nfs/dbraw/zinc/22/35/20/747223520.db2.gz HOPUFVOXTPNUKF-UHFFFAOYSA-N -1 1 365.407 2.501 20 10 FFCDMM CC1(C)OCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852685374 749925043 /nfs/dbraw/zinc/92/50/43/749925043.db2.gz VGSONRUXSQCGJZ-LLVKDONJSA-N -1 1 357.248 2.769 20 10 FFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000055639130 845334470 /nfs/dbraw/zinc/33/44/70/845334470.db2.gz KWAPLGOCWQPNKS-UHFFFAOYSA-N -1 1 374.871 2.902 20 10 FFCDMM CC(C)(C)OC(=O)N1CCCC[C@@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825575800 1013144138 /nfs/dbraw/zinc/14/41/38/1013144138.db2.gz TZOSBSCVERDOHO-LLVKDONJSA-N -1 1 368.405 2.756 20 10 FFCDMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C ZINC000391616682 972350372 /nfs/dbraw/zinc/35/03/72/972350372.db2.gz CGQQGJCTZBCBOC-UHFFFAOYSA-N -1 1 371.798 2.862 20 10 FFCDMM CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001591711789 975598022 /nfs/dbraw/zinc/59/80/22/975598022.db2.gz NIAFTVKSWQCWGB-GFCCVEGCSA-N -1 1 364.211 2.604 20 10 FFCDMM CN1CCN(c2ccc(CNc3cc(C(=O)[O-])ccc3[N+](=O)[O-])cc2)CC1 ZINC001598625056 994075233 /nfs/dbraw/zinc/07/52/33/994075233.db2.gz YAMZYDWCFSUACX-UHFFFAOYSA-N -1 1 370.409 2.657 20 10 FFCDMM Cc1[nH]nc2cc(NC(=O)c3cc(=O)n(-c4ccccc4)[n-]3)cc(F)c12 ZINC001147887461 1000991833 /nfs/dbraw/zinc/99/18/33/1000991833.db2.gz NJWXRPMYHJACOZ-UHFFFAOYSA-N -1 1 351.341 2.742 20 10 FFCDMM O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276191759 1016502988 /nfs/dbraw/zinc/50/29/88/1016502988.db2.gz SLPGJYDZFHIUJK-OAHLLOKOSA-N -1 1 364.314 2.800 20 10 FFCDMM Cc1nccn1-c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1F ZINC000789962924 1002240424 /nfs/dbraw/zinc/24/04/24/1002240424.db2.gz CVKSJFROQYNYRG-UHFFFAOYSA-N -1 1 359.332 2.800 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC000789976013 1002244154 /nfs/dbraw/zinc/24/41/54/1002244154.db2.gz GGZBALFLIACZAL-QGZVFWFLSA-N -1 1 363.360 2.962 20 10 FFCDMM COC(=O)c1c(Cl)cc(C)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316796 1003106624 /nfs/dbraw/zinc/10/66/24/1003106624.db2.gz OSQMROTXVLHGHK-UHFFFAOYSA-N -1 1 350.758 2.536 20 10 FFCDMM COc1cc2nc(C)c(NCC(=O)c3ccc([O-])c(O)c3)nc2cc1OC ZINC001170315882 1003106952 /nfs/dbraw/zinc/10/69/52/1003106952.db2.gz ITGJMDJZIDSOGI-UHFFFAOYSA-N -1 1 369.377 2.661 20 10 FFCDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccc(C)c(C)c1 ZINC000805605097 1004056862 /nfs/dbraw/zinc/05/68/62/1004056862.db2.gz JDJYGVVKNGZFRS-UHFFFAOYSA-N -1 1 352.394 2.869 20 10 FFCDMM CN1CCN(c2cccc(NC(=S)Nc3ccc(C(=O)[O-])cc3)c2)CC1 ZINC001197108515 1004088829 /nfs/dbraw/zinc/08/88/29/1004088829.db2.gz QRCABJXYGUGPAQ-UHFFFAOYSA-N -1 1 370.478 2.946 20 10 FFCDMM CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193224874 1004402052 /nfs/dbraw/zinc/40/20/52/1004402052.db2.gz DJZBWGZGMKZWJT-SNVBAGLBSA-N -1 1 355.818 2.945 20 10 FFCDMM CC(C)N1CC2(CC1=O)CCN(C(=O)c1ccc(O)c([O-])c1Cl)CC2 ZINC001193232459 1004411267 /nfs/dbraw/zinc/41/12/67/1004411267.db2.gz KJHIBNCFFVMPIB-UHFFFAOYSA-N -1 1 366.845 2.614 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](CNC(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193236833 1004412605 /nfs/dbraw/zinc/41/26/05/1004412605.db2.gz RLTHAHYTEXJUFP-AOOOYVTPSA-N -1 1 370.833 2.784 20 10 FFCDMM COc1ccc(-c2nnc(SCC(=O)c3ccc([O-])c(O)c3)n2C)cc1 ZINC000005846866 1005334109 /nfs/dbraw/zinc/33/41/09/1005334109.db2.gz KMKUEULZEOURPV-UHFFFAOYSA-N -1 1 371.418 2.877 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000131214533 1006703027 /nfs/dbraw/zinc/70/30/27/1006703027.db2.gz NHSACOQAPLDDOX-MRXNPFEDSA-N -1 1 364.453 2.935 20 10 FFCDMM CCN1C[C@@H](CN(C)C(=O)c2c(F)ccc(O)c2[O-])Oc2ccccc21 ZINC000823771081 1009221692 /nfs/dbraw/zinc/22/16/92/1009221692.db2.gz QTHXZPHWOXQKCD-GFCCVEGCSA-N -1 1 360.385 2.596 20 10 FFCDMM CCc1ccc(C(=O)CCC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001181180795 1010005557 /nfs/dbraw/zinc/00/55/57/1010005557.db2.gz ZWPYWDDDLXDSIH-UHFFFAOYSA-N -1 1 355.390 2.622 20 10 FFCDMM CCOCCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001275229671 1012109316 /nfs/dbraw/zinc/10/93/16/1012109316.db2.gz NLNADSDYTADQIF-IBGZPJMESA-N -1 1 368.424 2.664 20 10 FFCDMM COc1cc2nc(C)nc(NCC(=O)c3ccc([O-])c(O)c3)c2cc1OC ZINC001159277268 1027333748 /nfs/dbraw/zinc/33/37/48/1027333748.db2.gz SOPDUVPKHXKIKA-UHFFFAOYSA-N -1 1 369.377 2.661 20 10 FFCDMM O=C(Nc1c(Cl)cnnc1Cl)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222917 1028631604 /nfs/dbraw/zinc/63/16/04/1028631604.db2.gz WANIXVNRSPDYCN-UHFFFAOYSA-N -1 1 368.132 2.553 20 10 FFCDMM CN(CCC(=O)c1cccs1)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155226582 1028633358 /nfs/dbraw/zinc/63/33/58/1028633358.db2.gz WBQUDOJHDGSXEG-UHFFFAOYSA-N -1 1 373.386 2.611 20 10 FFCDMM O=C(NCc1nccc2ccccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231333 1028636967 /nfs/dbraw/zinc/63/69/67/1028636967.db2.gz JMGFWGLKPQEECC-UHFFFAOYSA-N -1 1 362.341 2.682 20 10 FFCDMM Cc1cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc2snnc21 ZINC001155231802 1028638163 /nfs/dbraw/zinc/63/81/63/1028638163.db2.gz KQTPHIUGZYHTDX-UHFFFAOYSA-N -1 1 369.358 2.770 20 10 FFCDMM O=C(N[C@@H](c1cncc(F)c1)C1CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235943 1028641938 /nfs/dbraw/zinc/64/19/38/1028641938.db2.gz VQOKVPBYUKRWOL-QGZVFWFLSA-N -1 1 370.336 2.619 20 10 FFCDMM Nc1ncnc2cc(C(=O)NCc3cccc(Br)c3[O-])ccc12 ZINC001156792794 1029347181 /nfs/dbraw/zinc/34/71/81/1029347181.db2.gz QTQMBSRUKKQTMD-UHFFFAOYSA-N -1 1 373.210 2.610 20 10 FFCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(N)c1F ZINC001156791900 1029347443 /nfs/dbraw/zinc/34/74/43/1029347443.db2.gz KITZYTDPHUAFES-UHFFFAOYSA-N -1 1 369.190 2.815 20 10 FFCDMM COc1ccc(CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OC)c1 ZINC000784366021 1030588291 /nfs/dbraw/zinc/58/82/91/1030588291.db2.gz HSQPUIDXXAUCNN-UHFFFAOYSA-N -1 1 374.389 2.864 20 10 FFCDMM Cc1noc([C@]23COC[C@H]2C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C3)n1 ZINC001203575256 1030769036 /nfs/dbraw/zinc/76/90/36/1030769036.db2.gz HZCHJDVWZXCSSQ-BDJLRTHQSA-N -1 1 370.236 2.790 20 10 FFCDMM COc1ccc(N2CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)c(C)c1 ZINC001138929726 1034820272 /nfs/dbraw/zinc/82/02/72/1034820272.db2.gz CQRGJKMRIWAARI-UHFFFAOYSA-N -1 1 370.449 2.789 20 10 FFCDMM Cc1cnc(N2CCN(Cc3c([O-])ccc4c(C)cc(=O)oc43)CC2)s1 ZINC001139129018 1034958221 /nfs/dbraw/zinc/95/82/21/1034958221.db2.gz KWOXUKFKEDZWIO-UHFFFAOYSA-N -1 1 371.462 2.894 20 10 FFCDMM COC[C@H]1C[N@H+](Cc2c(O)cccc2Br)Cc2cn(C)nc21 ZINC001140100503 1035342244 /nfs/dbraw/zinc/34/22/44/1035342244.db2.gz RSWFHPWSHZYOMB-GFCCVEGCSA-N -1 1 366.259 2.634 20 10 FFCDMM COC(C[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)OC ZINC001227579968 1035616568 /nfs/dbraw/zinc/61/65/68/1035616568.db2.gz CNHCOCKIZMYLTA-LLVKDONJSA-N -1 1 356.374 2.944 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H](C[N+](=O)[O-])C1CC1 ZINC001227581044 1035617929 /nfs/dbraw/zinc/61/79/29/1035617929.db2.gz UNXDOWYKXWUGFQ-HNNXBMFYSA-N -1 1 353.330 2.602 20 10 FFCDMM C[C@H]1COC[C@@H]1Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228186567 1035981583 /nfs/dbraw/zinc/98/15/83/1035981583.db2.gz SBYRDQQCERWBQK-KEMVTONXSA-N -1 1 372.373 2.924 20 10 FFCDMM CCOC(=O)C[C@@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229196798 1036546473 /nfs/dbraw/zinc/54/64/73/1036546473.db2.gz IAUCTAYOUIJWHV-SNVBAGLBSA-N -1 1 370.357 2.594 20 10 FFCDMM CCn1nnc2c1CCN(Cc1cccc(C(F)(F)F)c1[O-])[C@H]2COC ZINC001233416219 1036610379 /nfs/dbraw/zinc/61/03/79/1036610379.db2.gz AHEOLMDHCHICNX-AWEZNQCLSA-N -1 1 370.375 2.768 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1C=CO[C@@H]2COC(C)(C)O[C@@H]12 ZINC001233496641 1036661795 /nfs/dbraw/zinc/66/17/95/1036661795.db2.gz YHBDJGMZNLVJSO-NXHRZFHOSA-N -1 1 364.394 2.892 20 10 FFCDMM CC(C)CN1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)OCC1=O ZINC001277831471 1036918777 /nfs/dbraw/zinc/91/87/77/1036918777.db2.gz XFHNQSHRVBBOFT-UHFFFAOYSA-N -1 1 373.280 2.768 20 10 FFCDMM CC1=C(Oc2cc([O-])ccc2C(=O)c2ccc(O)c(O)c2)C(=O)O[C@@H]1C ZINC001231339766 1037538675 /nfs/dbraw/zinc/53/86/75/1037538675.db2.gz CNKCWXXPJIQBEV-SNVBAGLBSA-N -1 1 356.330 2.633 20 10 FFCDMM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001231452819 1037591698 /nfs/dbraw/zinc/59/16/98/1037591698.db2.gz GMDKXQZXWBITSD-STQMWFEESA-N -1 1 364.442 2.920 20 10 FFCDMM O=C([C@H]1CCCO1)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793185 1038273450 /nfs/dbraw/zinc/27/34/50/1038273450.db2.gz IYRJNAFFWZFHRG-OAHLLOKOSA-N -1 1 359.253 2.522 20 10 FFCDMM COC(=O)[C@H]1COCCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236798084 1038277503 /nfs/dbraw/zinc/27/75/03/1038277503.db2.gz FZHRBHHHWPPSNY-LLVKDONJSA-N -1 1 360.237 2.711 20 10 FFCDMM COc1cc(N2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)ncn1 ZINC001236803713 1038279778 /nfs/dbraw/zinc/27/97/78/1038279778.db2.gz OGIUJCSWYXJRLS-UHFFFAOYSA-N -1 1 369.252 2.820 20 10 FFCDMM O=C(CNC(=S)Nc1c(F)cc(F)cc1F)c1ccc([O-])c(O)c1 ZINC001247452817 1039761123 /nfs/dbraw/zinc/76/11/23/1039761123.db2.gz RKHUKVKSOCKQPI-UHFFFAOYSA-N -1 1 356.325 2.684 20 10 FFCDMM CN(C)c1ccc(N=Nc2ccccc2C(=O)N(C)c2nn[n-]n2)cc1 ZINC001279186948 1042938378 /nfs/dbraw/zinc/93/83/78/1042938378.db2.gz ANARRGQSGZZGNT-UHFFFAOYSA-N -1 1 350.386 2.958 20 10 FFCDMM CCOC(=O)CCN(CC(=O)OCC)Cc1cc(F)c(Cl)cc1[O-] ZINC001237937316 1043443490 /nfs/dbraw/zinc/44/34/90/1043443490.db2.gz OWZCSNPTMKKJIL-UHFFFAOYSA-N -1 1 361.797 2.503 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1CO ZINC001237936552 1043443862 /nfs/dbraw/zinc/44/38/62/1043443862.db2.gz KORWIAROHATLJL-GFCCVEGCSA-N -1 1 374.840 2.598 20 10 FFCDMM CCN(C(=O)[C@@H]1CCC2(CN(Cc3c([O-])cccc3F)C2)O1)C(C)C ZINC001280007694 1044079855 /nfs/dbraw/zinc/07/98/55/1044079855.db2.gz GICBCSULUOWATM-KRWDZBQOSA-N -1 1 350.434 2.522 20 10 FFCDMM O=C([O-])C[C@H](C[NH2+]Cc1c([O-])cccc1Br)C(F)(F)F ZINC001329682034 1048852081 /nfs/dbraw/zinc/85/20/81/1048852081.db2.gz LNFPUYZIHPDKLN-SSDOTTSWSA-N -1 1 356.138 2.898 20 10 FFCDMM C[C@H](O)c1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC001297441413 1050166609 /nfs/dbraw/zinc/16/66/09/1050166609.db2.gz WFBFOJDFOCWIEV-ZETCQYMHSA-N -1 1 357.229 2.595 20 10 FFCDMM C[C@H]1[C@@H](O)CCN1Cc1cc(Br)cc(Br)c1[O-] ZINC001308765562 1052496848 /nfs/dbraw/zinc/49/68/48/1052496848.db2.gz OCWMHMIODOIRNY-CPCISQLKSA-N -1 1 365.065 2.872 20 10 FFCDMM Cn1ccnc1[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001349857683 1055503725 /nfs/dbraw/zinc/50/37/25/1055503725.db2.gz LCSFZCMPJHAOCQ-LLVKDONJSA-N -1 1 362.739 2.882 20 10 FFCDMM O=C(Cn1cnc(-c2ccccc2)cc1=O)NCc1cccc(Cl)c1[O-] ZINC001457037130 1060260221 /nfs/dbraw/zinc/26/02/21/1060260221.db2.gz QBEFPEGFUFQNGH-UHFFFAOYSA-N -1 1 369.808 2.586 20 10 FFCDMM Cc1ccc(N)cc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC001475265498 1061026754 /nfs/dbraw/zinc/02/67/54/1061026754.db2.gz DJFKZOMHRRDHRB-UHFFFAOYSA-N -1 1 371.256 2.524 20 10 FFCDMM CCOC(=O)c1cccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001464796028 1062828611 /nfs/dbraw/zinc/82/86/11/1062828611.db2.gz YHLUZVJDZREHHL-UHFFFAOYSA-N -1 1 369.826 2.701 20 10 FFCDMM CS(=O)(=O)c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001465085339 1062970170 /nfs/dbraw/zinc/97/01/70/1062970170.db2.gz RBQXBAWOUGGHQJ-UHFFFAOYSA-N -1 1 354.815 2.771 20 10 FFCDMM CN(C)c1ccc(CN(Cc2ccco2)C(=O)c2cnncc2[O-])cc1 ZINC001441142915 1063403499 /nfs/dbraw/zinc/40/34/99/1063403499.db2.gz AIQYMFATWXNFSK-UHFFFAOYSA-N -1 1 352.394 2.684 20 10 FFCDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001556157719 1075710106 /nfs/dbraw/zinc/71/01/06/1075710106.db2.gz INLCMJSJGQNSAG-SNVBAGLBSA-N -1 1 356.353 2.852 20 10 FFCDMM COc1cnc(C(=O)NCc2cccc(Br)c2[O-])c(F)c1 ZINC001556481683 1075745589 /nfs/dbraw/zinc/74/55/89/1075745589.db2.gz YQGIPECFQMYNQW-UHFFFAOYSA-N -1 1 355.163 2.627 20 10 FFCDMM C[C@@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589946394 1080890975 /nfs/dbraw/zinc/89/09/75/1080890975.db2.gz JOWBHPLYFXVQQT-LLVKDONJSA-N -1 1 354.389 2.563 20 10 FFCDMM C[C@@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589946394 1080890981 /nfs/dbraw/zinc/89/09/81/1080890981.db2.gz JOWBHPLYFXVQQT-LLVKDONJSA-N -1 1 354.389 2.563 20 10 FFCDMM CC(C)Cn1cc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000277560185 510965874 /nfs/dbraw/zinc/96/58/74/510965874.db2.gz PIYAFZAYDLGDAJ-UHFFFAOYSA-N -1 1 352.232 2.937 20 10 FFCDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000282416805 510967506 /nfs/dbraw/zinc/96/75/06/510967506.db2.gz LLOCHLRVRPSVGO-UHFFFAOYSA-N -1 1 373.478 2.789 20 10 FFCDMM CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295257447 511340340 /nfs/dbraw/zinc/34/03/40/511340340.db2.gz NFRASBHVFUVCEJ-LLVKDONJSA-N -1 1 368.405 2.614 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccccc1 ZINC000823503377 599380598 /nfs/dbraw/zinc/38/05/98/599380598.db2.gz FELWEKCKXLDVMC-WQLSENKSSA-N -1 1 355.404 2.866 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccccc1 ZINC000823503377 599380601 /nfs/dbraw/zinc/38/06/01/599380601.db2.gz FELWEKCKXLDVMC-WQLSENKSSA-N -1 1 355.404 2.866 20 10 FFCDMM Cn1cc([C@H]2CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043662 601342882 /nfs/dbraw/zinc/34/28/82/601342882.db2.gz DUZQKABBLCJICV-GOSISDBHSA-N -1 1 367.405 2.551 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)cc2F)c1 ZINC000093901132 728478356 /nfs/dbraw/zinc/47/83/56/728478356.db2.gz AWBXUMBNXKTRLC-UHFFFAOYSA-N -1 1 358.778 2.809 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000123686090 728661439 /nfs/dbraw/zinc/66/14/39/728661439.db2.gz NVIJECYTWBELHR-CABZTGNLSA-N -1 1 354.712 2.841 20 10 FFCDMM O=C([O-])CN1C(=O)/C(=C/c2cc(Cl)c(O)cc2Cl)SC1=S ZINC000759034195 736542399 /nfs/dbraw/zinc/54/23/99/736542399.db2.gz IBFJRSHZVLFNEL-MBXJOHMKSA-N -1 1 364.231 2.985 20 10 FFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000863939228 730816775 /nfs/dbraw/zinc/81/67/75/730816775.db2.gz ZCGNRXDYDLUGHT-WDEREUQCSA-N -1 1 353.390 2.677 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1[C@@H]1CCCO1 ZINC000867830962 731231536 /nfs/dbraw/zinc/23/15/36/731231536.db2.gz MNGRCJBDPDDOFB-LBPRGKRZSA-N -1 1 366.215 2.659 20 10 FFCDMM O=S(=O)([N-]c1ccc(O)c(F)c1F)c1onc(C2CC2)c1Cl ZINC000872373799 731758623 /nfs/dbraw/zinc/75/86/23/731758623.db2.gz QSDURDIWDYTJNX-UHFFFAOYSA-N -1 1 350.730 2.990 20 10 FFCDMM Cc1nccnc1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000873243858 731895235 /nfs/dbraw/zinc/89/52/35/731895235.db2.gz NTLNSGXOIHRNOT-JTQLQIEISA-N -1 1 365.231 2.814 20 10 FFCDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3ccc(O)c(C(C)C)c3)cc12 ZINC000882798769 733296740 /nfs/dbraw/zinc/29/67/40/733296740.db2.gz CPWYGJQDIKNCPF-UHFFFAOYSA-N -1 1 360.439 2.907 20 10 FFCDMM O=S1(=O)CCN(c2cccc(NCc3cc(F)cc(F)c3[O-])c2)CC1 ZINC000883057464 733327213 /nfs/dbraw/zinc/32/72/13/733327213.db2.gz OZYWKMOIDRAMTH-UHFFFAOYSA-N -1 1 368.405 2.517 20 10 FFCDMM CS(=O)(=O)CCOc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883060199 733327507 /nfs/dbraw/zinc/32/75/07/733327507.db2.gz ATTQMYUPIAJABU-UHFFFAOYSA-N -1 1 357.378 2.706 20 10 FFCDMM Cc1nc(C(F)(F)F)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782695902 738749144 /nfs/dbraw/zinc/74/91/44/738749144.db2.gz LBAZRRCTDISVTB-UHFFFAOYSA-N -1 1 355.268 2.860 20 10 FFCDMM O=C(COC(=O)c1csc(-c2ccccn2)n1)c1ccc([O-])c(O)c1 ZINC000783333460 738800301 /nfs/dbraw/zinc/80/03/01/738800301.db2.gz BJIFYSDAUYZSGV-UHFFFAOYSA-N -1 1 356.359 2.656 20 10 FFCDMM CC(C)(C)OC(=O)NCCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000892781826 734602712 /nfs/dbraw/zinc/60/27/12/734602712.db2.gz DWHRDQGKWSSIMU-UHFFFAOYSA-N -1 1 357.838 2.760 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCN(c2ncccc2F)C1 ZINC000893582910 734721948 /nfs/dbraw/zinc/72/19/48/734721948.db2.gz WYPHKRUPHNRHDO-LBPRGKRZSA-N -1 1 364.808 2.658 20 10 FFCDMM CC(C)(C)OC(=O)NC/C=C/CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894910858 734935448 /nfs/dbraw/zinc/93/54/48/734935448.db2.gz RZVFYRZMIBZVEQ-SNAWJCMRSA-N -1 1 369.849 2.926 20 10 FFCDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc21 ZINC000740700898 735081533 /nfs/dbraw/zinc/08/15/33/735081533.db2.gz IWLSGZLLUYUPAD-UHFFFAOYSA-N -1 1 360.435 2.801 20 10 FFCDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000758773869 736519956 /nfs/dbraw/zinc/51/99/56/736519956.db2.gz IUWQBKFMDIKQGY-UHFFFAOYSA-N -1 1 367.354 2.541 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(CC(=O)[O-])cc1 ZINC000761994660 736780784 /nfs/dbraw/zinc/78/07/84/736780784.db2.gz BPCLUCRNQIFXKJ-UHFFFAOYSA-N -1 1 365.407 2.607 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(-c2cccnc2)c1 ZINC000765728266 737149742 /nfs/dbraw/zinc/14/97/42/737149742.db2.gz FQPPFNJUTJSWEM-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)OCCO2 ZINC000765765467 737155805 /nfs/dbraw/zinc/15/58/05/737155805.db2.gz SBSLYQLYWNFVHF-UHFFFAOYSA-N -1 1 364.195 2.856 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(-c2nc[nH]n2)c1 ZINC000765770403 737156796 /nfs/dbraw/zinc/15/67/96/737156796.db2.gz QJCIAHVYCGUNEE-UHFFFAOYSA-N -1 1 373.210 2.870 20 10 FFCDMM CCC[C@H](NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979192 737937453 /nfs/dbraw/zinc/93/74/53/737937453.db2.gz AMTQYVONBIEXBD-QZFKAFNDSA-N -1 1 359.495 2.901 20 10 FFCDMM COc1c([O-])c(CN[C@@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000775113240 738063020 /nfs/dbraw/zinc/06/30/20/738063020.db2.gz VCVDOIYUAIFGEX-VIFPVBQESA-N -1 1 350.375 2.840 20 10 FFCDMM CN(C)[C@H](CNC(=O)c1c([O-])c(O)ccc1F)c1ccccc1Cl ZINC000789944285 739398675 /nfs/dbraw/zinc/39/86/75/739398675.db2.gz PXLIIFKYXUYCHB-CYBMUJFWSA-N -1 1 352.793 2.923 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000792702147 739695428 /nfs/dbraw/zinc/69/54/28/739695428.db2.gz NSNMKSVLAWAALP-UHFFFAOYSA-N -1 1 353.421 2.686 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](S(C)(=O)=O)CC2)c1[O-] ZINC000800457237 740525767 /nfs/dbraw/zinc/52/57/67/740525767.db2.gz KJOGZOGAVHPVBR-CQSZACIVSA-N -1 1 359.875 2.647 20 10 FFCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cnn(CC(F)(F)F)c1 ZINC000808114081 741187810 /nfs/dbraw/zinc/18/78/10/741187810.db2.gz PSQRDYSSDFSYHT-UHFFFAOYSA-N -1 1 373.715 2.744 20 10 FFCDMM COc1c([O-])c(CN2C[C@@H](C(F)(F)F)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000814175509 741800523 /nfs/dbraw/zinc/80/05/23/741800523.db2.gz JVUKATYIFRTRCE-NSHDSACASA-N -1 1 364.320 2.851 20 10 FFCDMM CCN(CC)c1ccc(C[N-]S(=O)(=O)c2c(C)noc2C)cc1F ZINC000066902830 845485478 /nfs/dbraw/zinc/48/54/78/845485478.db2.gz GKGYNZANWIMLGO-UHFFFAOYSA-N -1 1 355.435 2.755 20 10 FFCDMM O=C(CN1CC[C@@H](c2ccccc2)NC1=O)NCc1cccc(Cl)c1[O-] ZINC000890761340 960323599 /nfs/dbraw/zinc/32/35/99/960323599.db2.gz OWOGPZDIEJRTSY-INIZCTEOSA-N -1 1 373.840 2.818 20 10 FFCDMM Cc1ncsc1CN1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279108756 964069809 /nfs/dbraw/zinc/06/98/09/964069809.db2.gz WNKBTHMKAJPBSG-BETUJISGSA-N -1 1 351.422 2.894 20 10 FFCDMM Cc1cc(C(=O)N2CCC(c3n[n-]c(=O)o3)CC2)c(C)n1-c1ccccn1 ZINC000773498658 1013473076 /nfs/dbraw/zinc/47/30/76/1013473076.db2.gz RAFKHPHAAKRNPA-UHFFFAOYSA-N -1 1 367.409 2.598 20 10 FFCDMM CCCOc1ccc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000780375678 966005070 /nfs/dbraw/zinc/00/50/70/966005070.db2.gz YHYANHXRMLHVBV-UHFFFAOYSA-N -1 1 360.362 2.692 20 10 FFCDMM O=C(N[C@H]1CCOC1)OC[C@H]1CCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877519121 1014609465 /nfs/dbraw/zinc/60/94/65/1014609465.db2.gz IDZIUKMQKJLOIS-UONOGXRCSA-N -1 1 370.396 2.540 20 10 FFCDMM COc1ccc(O)c([C@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000157892790 984706593 /nfs/dbraw/zinc/70/65/93/984706593.db2.gz LZNOMCDXMFCMPG-JTQLQIEISA-N -1 1 359.426 2.581 20 10 FFCDMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1-c1cccc(C(C)C)c1 ZINC000765439378 985097205 /nfs/dbraw/zinc/09/72/05/985097205.db2.gz GOKUEXCNNSAKHH-UHFFFAOYSA-N -1 1 368.437 2.996 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCC(c3nn[n-]n3)CC2)cc1 ZINC000913742366 986883571 /nfs/dbraw/zinc/88/35/71/986883571.db2.gz WZGWIKJLUJVABO-UHFFFAOYSA-N -1 1 350.426 2.627 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(C3Cc4ccccc4C3)no2)c1 ZINC000761970514 988015670 /nfs/dbraw/zinc/01/56/70/988015670.db2.gz USBUFYFOAZXWFD-UHFFFAOYSA-N -1 1 371.418 2.696 20 10 FFCDMM COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1C ZINC000787238213 1001679451 /nfs/dbraw/zinc/67/94/51/1001679451.db2.gz KHDPTEUNKHKVRN-DZGCQCFKSA-N -1 1 369.417 2.712 20 10 FFCDMM COC(=O)[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1C ZINC000787238213 1001679452 /nfs/dbraw/zinc/67/94/52/1001679452.db2.gz KHDPTEUNKHKVRN-DZGCQCFKSA-N -1 1 369.417 2.712 20 10 FFCDMM COc1ccc2c(c1)nc(Cl)nc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170313694 1003104522 /nfs/dbraw/zinc/10/45/22/1003104522.db2.gz CAFVFWBOBPPPLU-UHFFFAOYSA-N -1 1 359.769 2.998 20 10 FFCDMM COc1cccc(Oc2cc(NCC(=O)c3ccc([O-])c(O)c3)ncn2)c1 ZINC001170317098 1003106181 /nfs/dbraw/zinc/10/61/81/1003106181.db2.gz YUFHNXFOTHDXFY-UHFFFAOYSA-N -1 1 367.361 2.984 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)NCc1ccc(C(F)(F)F)cc1 ZINC001186826428 1003444861 /nfs/dbraw/zinc/44/48/61/1003444861.db2.gz PUCVLTMYSPXGPK-UHFFFAOYSA-N -1 1 368.311 2.799 20 10 FFCDMM O=C(CNC(=O)c1cncc(-c2ccccc2F)c1)c1ccc([O-])c(O)c1 ZINC001196865970 1003996095 /nfs/dbraw/zinc/99/60/95/1003996095.db2.gz WEDSQWMILXCWGD-UHFFFAOYSA-N -1 1 366.348 2.912 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)c1c[nH]c(-c2ccc(F)cc2)c1 ZINC001196976125 1004016951 /nfs/dbraw/zinc/01/69/51/1004016951.db2.gz NWJKHFSGTSAKQD-UHFFFAOYSA-N -1 1 354.337 2.845 20 10 FFCDMM Cc1nnc(-c2cccc(S(=O)(=O)Nc3ccc([O-])c(F)c3F)c2)o1 ZINC001192265977 1004110133 /nfs/dbraw/zinc/11/01/33/1004110133.db2.gz YMZWEEWYWFQOOW-UHFFFAOYSA-N -1 1 367.333 2.830 20 10 FFCDMM CC(=O)N(C(C)C)C1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193232981 1004413014 /nfs/dbraw/zinc/41/30/14/1004413014.db2.gz SUJRIPRMULHNLF-UHFFFAOYSA-N -1 1 354.834 2.613 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc([C@H]2CNC(=O)C2)c1 ZINC001202359779 1005344864 /nfs/dbraw/zinc/34/48/64/1005344864.db2.gz IOHDBQVTMKNHFZ-CYBMUJFWSA-N -1 1 359.813 2.971 20 10 FFCDMM NC(=O)C1CCN(c2cccc(NCc3cc(F)cc(F)c3[O-])c2)CC1 ZINC000883067411 1006626809 /nfs/dbraw/zinc/62/68/09/1006626809.db2.gz HIBARRRYMAYXQL-UHFFFAOYSA-N -1 1 361.392 2.984 20 10 FFCDMM CC(C)(C)OC(=O)NC1(CNC(=O)c2c(F)ccc(O)c2[O-])CCCC1 ZINC000857313488 1008118746 /nfs/dbraw/zinc/11/87/46/1008118746.db2.gz CBSRCGAGWCUXRA-UHFFFAOYSA-N -1 1 368.405 2.804 20 10 FFCDMM Cc1cccc([C@@H](CC(=O)NCc2cccc(Cl)c2[O-])NC(N)=O)c1 ZINC001180409556 1009684523 /nfs/dbraw/zinc/68/45/23/1009684523.db2.gz BOUDMVBFAWRVKX-OAHLLOKOSA-N -1 1 361.829 2.770 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC001180410164 1009684647 /nfs/dbraw/zinc/68/46/47/1009684647.db2.gz KVMLEIISMXPXLF-AWEZNQCLSA-N -1 1 362.788 2.854 20 10 FFCDMM CC[C@@H]1[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000863939335 1010362504 /nfs/dbraw/zinc/36/25/04/1010362504.db2.gz UZFMYZWTVCFGLF-NWDGAFQWSA-N -1 1 368.405 2.755 20 10 FFCDMM Cc1cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc(C)n1 ZINC001217055909 1032598818 /nfs/dbraw/zinc/59/88/18/1032598818.db2.gz CEUIKLPSZJZEHJ-UHFFFAOYSA-N -1 1 366.421 2.953 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CC1)C[C@H](O)c1ccccc1O2 ZINC000900720507 1020613016 /nfs/dbraw/zinc/61/30/16/1020613016.db2.gz TVLACGSPQMCKET-HNNXBMFYSA-N -1 1 373.380 2.728 20 10 FFCDMM Cc1nc(CC[NH2+]Cc2c([O-])cccc2Br)sc1C(=O)[O-] ZINC001118977763 1022499895 /nfs/dbraw/zinc/49/98/95/1022499895.db2.gz DJDJIIABLPHJAV-UHFFFAOYSA-N -1 1 371.256 2.950 20 10 FFCDMM Cc1c(NCc2cc(F)cc(F)c2[O-])cccc1S(=O)(=O)N(C)C ZINC001202797553 1022514737 /nfs/dbraw/zinc/51/47/37/1022514737.db2.gz LWJPUOZOCPCVKN-UHFFFAOYSA-N -1 1 356.394 2.841 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CNCC(F)(F)C1)C(=O)c1ccccc1C2=O ZINC001218276396 1033079851 /nfs/dbraw/zinc/07/98/51/1033079851.db2.gz SAQWBAHUALDSPM-NSHDSACASA-N -1 1 373.355 2.852 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(c2nccs2)CC1 ZINC001119969361 1023187333 /nfs/dbraw/zinc/18/73/33/1023187333.db2.gz CBDTUTBGVLPROK-UHFFFAOYSA-N -1 1 366.874 2.970 20 10 FFCDMM COC(=O)c1ccc2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159277777 1027333995 /nfs/dbraw/zinc/33/39/95/1027333995.db2.gz ZKGMUOSNCRWEOU-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM O=C(CNC(F)(F)c1nc2ccc(Cl)nc2[nH]1)c1ccc([O-])c(O)c1 ZINC001159280449 1027336383 /nfs/dbraw/zinc/33/63/83/1027336383.db2.gz RGSWHSGURRXGKY-UHFFFAOYSA-N -1 1 368.727 2.544 20 10 FFCDMM CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cc(Cl)ccc1[O-] ZINC001162539655 1028573416 /nfs/dbraw/zinc/57/34/16/1028573416.db2.gz KLKFZNILTMFHFD-UHFFFAOYSA-N -1 1 363.797 2.957 20 10 FFCDMM O=C(Nc1cccc(C(F)(F)F)n1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155221940 1028630299 /nfs/dbraw/zinc/63/02/99/1028630299.db2.gz JNYRDFLQUKYURV-UHFFFAOYSA-N -1 1 366.251 2.870 20 10 FFCDMM O=C(N[C@@H]1C[C@H]1c1ccc(F)cc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155233621 1028639613 /nfs/dbraw/zinc/63/96/13/1028639613.db2.gz DUZAJRLMIXXADC-GXTWGEPZSA-N -1 1 355.321 2.629 20 10 FFCDMM COCC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCOC1 ZINC000782977411 1029870568 /nfs/dbraw/zinc/87/05/68/1029870568.db2.gz SMYXJYOGVHPISL-MRXNPFEDSA-N -1 1 371.433 2.566 20 10 FFCDMM COCC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCOC1 ZINC000782977411 1029870574 /nfs/dbraw/zinc/87/05/74/1029870574.db2.gz SMYXJYOGVHPISL-MRXNPFEDSA-N -1 1 371.433 2.566 20 10 FFCDMM O=C(COC(=O)c1cc(=O)[nH]c2cc(F)ccc21)c1ccc([O-])c(O)c1 ZINC000783759559 1030267773 /nfs/dbraw/zinc/26/77/73/1030267773.db2.gz GKNCBXNVVYBTEF-UHFFFAOYSA-N -1 1 357.293 2.530 20 10 FFCDMM Cc1cc(F)c2[nH]c(=O)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC000784586172 1030698824 /nfs/dbraw/zinc/69/88/24/1030698824.db2.gz QPMPSOSAUVOKGL-UHFFFAOYSA-N -1 1 371.320 2.839 20 10 FFCDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784696231 1030761278 /nfs/dbraw/zinc/76/12/78/1030761278.db2.gz PCRITQHNKDWGLL-DHZHZOJOSA-N -1 1 357.318 2.835 20 10 FFCDMM Cc1cc(CC(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1 ZINC000830906428 1033854148 /nfs/dbraw/zinc/85/41/48/1033854148.db2.gz LMAWTAIWXQWXBT-MRXNPFEDSA-N -1 1 364.453 2.556 20 10 FFCDMM CCOC(=O)c1ncn2c1CN(Cc1cc(Cl)c([O-])cc1O)CCC2 ZINC001232259040 1035528312 /nfs/dbraw/zinc/52/83/12/1035528312.db2.gz HHTSZVZVMSLZHY-UHFFFAOYSA-N -1 1 365.817 2.530 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)[C@@H]2C[C@@H]21 ZINC001232258131 1035528928 /nfs/dbraw/zinc/52/89/28/1035528928.db2.gz QTMIGVNJOWNLOE-OLZOCXBDSA-N -1 1 354.834 2.945 20 10 FFCDMM [O-]c1cc(O)c(CN2CCn3c(Br)cnc3C2)cc1Cl ZINC001232268790 1035540612 /nfs/dbraw/zinc/54/06/12/1035540612.db2.gz RVSYAMQYBZCGKB-UHFFFAOYSA-N -1 1 358.623 2.726 20 10 FFCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1ncccn1 ZINC001228115173 1035941534 /nfs/dbraw/zinc/94/15/34/1035941534.db2.gz MBMOXPRIMCHUSS-LLVKDONJSA-N -1 1 352.346 2.964 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](C(C)=O)C2)c1 ZINC001233308056 1036513817 /nfs/dbraw/zinc/51/38/17/1036513817.db2.gz ANXJFYKLIBBEEL-NSHDSACASA-N -1 1 370.243 2.742 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001233334252 1036541408 /nfs/dbraw/zinc/54/14/08/1036541408.db2.gz ZDYXSZDENYJOQQ-AWEZNQCLSA-N -1 1 363.408 2.926 20 10 FFCDMM CC(C)N(C)Cc1nnc2n1CCCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233334659 1036541940 /nfs/dbraw/zinc/54/19/40/1036541940.db2.gz PCNFEWUHZMZWHP-UHFFFAOYSA-N -1 1 365.428 2.508 20 10 FFCDMM [O-]c1c(CN2CCOC[C@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415744 1036611813 /nfs/dbraw/zinc/61/18/13/1036611813.db2.gz HIQFZOYYKYQOLZ-LBPRGKRZSA-N -1 1 359.266 2.537 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1cc(C(=O)[O-])ccc1O ZINC001231563034 1037686465 /nfs/dbraw/zinc/68/64/65/1037686465.db2.gz LZIPNBULJVYEIZ-GASCZTMLSA-N -1 1 362.426 2.674 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(=O)NC3(CCCC3)C2)c1 ZINC001236668697 1038183214 /nfs/dbraw/zinc/18/32/14/1038183214.db2.gz DRAKQWFVEJBKMD-UHFFFAOYSA-N -1 1 353.260 2.708 20 10 FFCDMM CCOC(=O)CN(CC(=O)OCC)Cc1c([O-])ccc(Cl)c1Cl ZINC001237085035 1038439926 /nfs/dbraw/zinc/43/99/26/1038439926.db2.gz SEHFDHSRKJLOCR-UHFFFAOYSA-N -1 1 364.225 2.627 20 10 FFCDMM COc1ccc(CN2CC[C@@H](F)C2)c([O-])c1I ZINC001248482227 1040297739 /nfs/dbraw/zinc/29/77/39/1040297739.db2.gz VVPRASIOMDEPRF-SECBINFHSA-N -1 1 351.159 2.549 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(O)cc1O)c1cc(Cl)sc1Cl ZINC001260473410 1040616573 /nfs/dbraw/zinc/61/65/73/1040616573.db2.gz POKZWOXYSLYKKF-UHFFFAOYSA-N -1 1 354.236 2.945 20 10 FFCDMM CCc1noc2ncc(S(=O)(=O)NCc3cccc(Cl)c3[O-])cc12 ZINC001214006792 1041157576 /nfs/dbraw/zinc/15/75/76/1041157576.db2.gz YEZQMBKVADZRFE-UHFFFAOYSA-N -1 1 367.814 2.623 20 10 FFCDMM COC1(CC(=O)N2CC3(CN(Cc4cccc(Cl)c4[O-])C3)C2)CCC1 ZINC001279442718 1043119371 /nfs/dbraw/zinc/11/93/71/1043119371.db2.gz UBJIKAYXIZOYHA-UHFFFAOYSA-N -1 1 364.873 2.649 20 10 FFCDMM CC(C)NC(=O)N1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)C1 ZINC001279665332 1043430077 /nfs/dbraw/zinc/43/00/77/1043430077.db2.gz MLLNSSIVSYNGED-UHFFFAOYSA-N -1 1 358.269 2.935 20 10 FFCDMM CCn1nnc2c1CCN(Cc1cc(F)c(Cl)cc1[O-])[C@H]2COC ZINC001237936752 1043443657 /nfs/dbraw/zinc/44/36/57/1043443657.db2.gz DQFIVWCMJSHAKS-AWEZNQCLSA-N -1 1 354.813 2.542 20 10 FFCDMM Cc1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC001309941204 1043599706 /nfs/dbraw/zinc/59/97/06/1043599706.db2.gz RFLXGOYTJCPJSR-UHFFFAOYSA-N -1 1 356.787 2.741 20 10 FFCDMM CC(C)Oc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001309940324 1043600388 /nfs/dbraw/zinc/60/03/88/1043600388.db2.gz IXPXCJACEMQFFT-UHFFFAOYSA-N -1 1 356.831 2.706 20 10 FFCDMM Cc1c([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])cnn1C ZINC001320906804 1045492084 /nfs/dbraw/zinc/49/20/84/1045492084.db2.gz BTMFGCHOGNGZRF-VIFPVBQESA-N -1 1 367.247 2.757 20 10 FFCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC(OCCO)CC1 ZINC001331528145 1047987068 /nfs/dbraw/zinc/98/70/68/1047987068.db2.gz DTLXBHDCQORLTH-UHFFFAOYSA-N -1 1 364.667 2.781 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1cnn(C2CCCC2)c1 ZINC001338706967 1055748278 /nfs/dbraw/zinc/74/82/78/1055748278.db2.gz DWXCOGJAFVMLSE-UHFFFAOYSA-N -1 1 362.817 2.612 20 10 FFCDMM O=C(COc1ccc2c(c1)CCC(=O)N2)NCc1cccc(Cl)c1[O-] ZINC001558757163 1076070559 /nfs/dbraw/zinc/07/05/59/1076070559.db2.gz RNPQWUALEJESII-UHFFFAOYSA-N -1 1 360.797 2.626 20 10 FFCDMM CO[C@]1(CO)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001560923805 1076310166 /nfs/dbraw/zinc/31/01/66/1076310166.db2.gz NEDSWTLLNLQPST-CQSZACIVSA-N -1 1 364.667 2.781 20 10 FFCDMM Cn1nc(CC(=O)NCc2cccc(Br)c2[O-])c2ccccc21 ZINC001568604429 1077102784 /nfs/dbraw/zinc/10/27/84/1077102784.db2.gz GPNFAEUDWYQVSI-UHFFFAOYSA-N -1 1 374.238 2.900 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)Nc2cc(C)on2)c1[O-] ZINC000177256401 509963127 /nfs/dbraw/zinc/96/31/27/509963127.db2.gz ZPZRMQOTPXXCAD-UHFFFAOYSA-N -1 1 351.790 2.615 20 10 FFCDMM C[C@@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277390091 510962173 /nfs/dbraw/zinc/96/21/73/510962173.db2.gz IZHOCZKMIYQNFY-GHMZBOCLSA-N -1 1 357.248 2.769 20 10 FFCDMM CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@H]2CCO[C@H]21 ZINC000277481216 510963298 /nfs/dbraw/zinc/96/32/98/510963298.db2.gz PQRDWTOOBRTYEF-LERXQTSPSA-N -1 1 369.259 2.767 20 10 FFCDMM CN(C)c1ccc(CN(C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)C2CC2)cc1 ZINC000277887247 510976419 /nfs/dbraw/zinc/97/64/19/510976419.db2.gz NCHBGRVFOWYGQD-UHFFFAOYSA-N -1 1 356.382 2.566 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289866910 511117622 /nfs/dbraw/zinc/11/76/22/511117622.db2.gz VQDVDPUFIZLHOD-ONGXEEELSA-N -1 1 368.739 2.947 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cnc1C ZINC000292020282 511433938 /nfs/dbraw/zinc/43/39/38/511433938.db2.gz ZYNRBGRNWRFDQT-UHFFFAOYSA-N -1 1 364.423 2.608 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCCCS3)no2)c1 ZINC000273962990 511671674 /nfs/dbraw/zinc/67/16/74/511671674.db2.gz JQUKXBHLSDVRGD-GFCCVEGCSA-N -1 1 355.441 2.772 20 10 FFCDMM C[C@@]1(Br)C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529169017 516977944 /nfs/dbraw/zinc/97/79/44/516977944.db2.gz HHRSPNPONAYVNW-PRHODGIISA-N -1 1 363.049 2.944 20 10 FFCDMM O=C([O-])[C@@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738718383 600421482 /nfs/dbraw/zinc/42/14/82/600421482.db2.gz FUFHKLQXAFRFCY-CQSZACIVSA-N -1 1 355.390 2.625 20 10 FFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccccc1Br ZINC000013464042 727816615 /nfs/dbraw/zinc/81/66/15/727816615.db2.gz GLRBMWDWMBAHRW-UHFFFAOYSA-N -1 1 372.196 2.654 20 10 FFCDMM Cc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c1 ZINC000123907300 728664195 /nfs/dbraw/zinc/66/41/95/728664195.db2.gz JVBXXNNAHXLRSW-UHFFFAOYSA-N -1 1 374.871 2.821 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(OCC(F)(F)F)nc2)ccc1O ZINC000182410019 729277002 /nfs/dbraw/zinc/27/70/02/729277002.db2.gz ZUEVQHRSPFQRMS-UHFFFAOYSA-N -1 1 362.329 2.838 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)c(C)c(C)c1O ZINC000187059537 729372181 /nfs/dbraw/zinc/37/21/81/729372181.db2.gz YXVPSEPAXRJVOX-UHFFFAOYSA-N -1 1 362.407 2.563 20 10 FFCDMM COC(=O)CC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000925002370 738470134 /nfs/dbraw/zinc/47/01/34/738470134.db2.gz KGJRZERTZMISHX-UHFFFAOYSA-N -1 1 373.247 2.543 20 10 FFCDMM Cn1c(-c2ccccc2)cnc1SCC(=O)CC[N-]C(=O)C(F)(F)F ZINC000865348656 730944847 /nfs/dbraw/zinc/94/48/47/730944847.db2.gz YHPJPMBKSHARAM-UHFFFAOYSA-N -1 1 371.384 2.817 20 10 FFCDMM C[C@H]1C[C@H]1c1noc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000865984426 731018542 /nfs/dbraw/zinc/01/85/42/731018542.db2.gz GZMYFNKETXYJNZ-IONNQARKSA-N -1 1 352.188 2.591 20 10 FFCDMM CC(C)(C)c1nnc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000865984534 731018669 /nfs/dbraw/zinc/01/86/69/731018669.db2.gz KBUHRBPJIARZEV-UHFFFAOYSA-N -1 1 354.204 2.765 20 10 FFCDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(C(F)F)o3)C2)cc1 ZINC000867496468 731191927 /nfs/dbraw/zinc/19/19/27/731191927.db2.gz CYTSKDRSTNWLPM-LLVKDONJSA-N -1 1 372.393 2.783 20 10 FFCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)nnn2C ZINC000872359191 731755808 /nfs/dbraw/zinc/75/58/08/731755808.db2.gz VDEPXQOWTNZWCT-UHFFFAOYSA-N -1 1 360.439 2.907 20 10 FFCDMM O=C([N-]C[C@@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1)C(F)(F)F ZINC000877538976 732384063 /nfs/dbraw/zinc/38/40/63/732384063.db2.gz HPZNLTUCMNSNFV-VIFPVBQESA-N -1 1 352.303 2.561 20 10 FFCDMM COc1cc(Cl)cc(CN2CC[C@@](C)([N-]C(=O)C(F)(F)F)C2)c1O ZINC000877774994 732427761 /nfs/dbraw/zinc/42/77/61/732427761.db2.gz IERSZHZGVQIENR-CQSZACIVSA-N -1 1 366.767 2.697 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@H]2c2nncn2C)c1 ZINC000781907209 738670834 /nfs/dbraw/zinc/67/08/34/738670834.db2.gz GHFKERFVMLUQJC-ZDUSSCGKSA-N -1 1 351.248 2.929 20 10 FFCDMM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781906735 738670178 /nfs/dbraw/zinc/67/01/78/738670178.db2.gz BELNLOPFZMLRGT-AWEZNQCLSA-N -1 1 374.275 2.862 20 10 FFCDMM CC(=O)N(CCc1ccccc1)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890760315 734336675 /nfs/dbraw/zinc/33/66/75/734336675.db2.gz OGSIJUZENBRJRC-UHFFFAOYSA-N -1 1 360.841 2.753 20 10 FFCDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@]12CCCO2 ZINC000894191808 734815435 /nfs/dbraw/zinc/81/54/35/734815435.db2.gz DOLMGOMJOYDHBK-CKEIUWERSA-N -1 1 354.834 2.571 20 10 FFCDMM O=C(C[C@@H](O)c1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784000984 738854534 /nfs/dbraw/zinc/85/45/34/738854534.db2.gz XQERVZAZIKBYEC-CQSZACIVSA-N -1 1 350.754 2.601 20 10 FFCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(OC(F)F)cc2)n1 ZINC000747654072 735578156 /nfs/dbraw/zinc/57/81/56/735578156.db2.gz JVVRBKQTDNUEBL-UHFFFAOYSA-N -1 1 355.370 2.709 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2cccs2)c1[O-] ZINC000750053100 735768154 /nfs/dbraw/zinc/76/81/54/735768154.db2.gz GHIDSHVCGZXALB-OAHLLOKOSA-N -1 1 364.854 2.983 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750055517 735768793 /nfs/dbraw/zinc/76/87/93/735768793.db2.gz CUZGCHOBIAWDJO-OAHLLOKOSA-N -1 1 369.845 2.791 20 10 FFCDMM C[C@H](NCc1nnnn1C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756733036 736356328 /nfs/dbraw/zinc/35/63/28/736356328.db2.gz OOWTZZGOECZMAP-ZETCQYMHSA-N -1 1 372.654 2.980 20 10 FFCDMM CSCc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000760132020 736616905 /nfs/dbraw/zinc/61/69/05/736616905.db2.gz NUVFYAWATAIUKA-UHFFFAOYSA-N -1 1 366.464 2.879 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1 ZINC000762000787 736781263 /nfs/dbraw/zinc/78/12/63/736781263.db2.gz OYXHQOPBKXFVTO-UHFFFAOYSA-N -1 1 369.370 2.818 20 10 FFCDMM Nc1cccc([N+](=O)[O-])c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765728571 737149459 /nfs/dbraw/zinc/14/94/59/737149459.db2.gz WBZSYAXJLWXHEE-UHFFFAOYSA-N -1 1 366.171 2.575 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(c1)OCO2 ZINC000765747112 737153303 /nfs/dbraw/zinc/15/33/03/737153303.db2.gz LZNGOOUHMNDOMH-UHFFFAOYSA-N -1 1 350.168 2.813 20 10 FFCDMM CCOC(=O)N[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765753869 737154144 /nfs/dbraw/zinc/15/41/44/737154144.db2.gz RINAJXOFFJLEGI-LBPRGKRZSA-N -1 1 373.247 2.542 20 10 FFCDMM COc1cc(C)cnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765764105 737155906 /nfs/dbraw/zinc/15/59/06/737155906.db2.gz JASWGGCOEQVZBW-UHFFFAOYSA-N -1 1 351.200 2.797 20 10 FFCDMM COc1cccc2c1O[C@@H](c1cccc(Br)c1[O-])NC2=O ZINC000917500338 737761205 /nfs/dbraw/zinc/76/12/05/737761205.db2.gz ADUIXVKDTVGYGY-HNNXBMFYSA-N -1 1 350.168 2.984 20 10 FFCDMM Cc1ccnc2c1cccc2S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000777636469 738308591 /nfs/dbraw/zinc/30/85/91/738308591.db2.gz VSCGTUDLLPUNLE-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccn(CC(F)F)n1 ZINC000790065062 739415739 /nfs/dbraw/zinc/41/57/39/739415739.db2.gz GVHOCVNJRLWBKB-UHFFFAOYSA-N -1 1 360.158 2.546 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(F)c1C ZINC000790411159 739449825 /nfs/dbraw/zinc/44/98/25/739449825.db2.gz GBYXHWLTIBRFPU-UHFFFAOYSA-N -1 1 369.370 2.737 20 10 FFCDMM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000797819375 740276069 /nfs/dbraw/zinc/27/60/69/740276069.db2.gz HMOPTFBJRQPQSA-UHFFFAOYSA-N -1 1 365.407 2.768 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1Cl ZINC000797820438 740276398 /nfs/dbraw/zinc/27/63/98/740276398.db2.gz XVQFLJPWACREBS-UHFFFAOYSA-N -1 1 371.798 2.642 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1occ2c1CCOC2 ZINC000803214164 740775656 /nfs/dbraw/zinc/77/56/56/740775656.db2.gz OBMMXFSNKKBSEM-UHFFFAOYSA-N -1 1 352.184 2.750 20 10 FFCDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c(O)c1 ZINC000805085533 740937104 /nfs/dbraw/zinc/93/71/04/740937104.db2.gz KZALDAORNBCNMY-UHFFFAOYSA-N -1 1 363.769 2.811 20 10 FFCDMM Cc1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1C(=O)[O-] ZINC000808115377 741188574 /nfs/dbraw/zinc/18/85/74/741188574.db2.gz ZURYEQGRXPJAJY-UHFFFAOYSA-N -1 1 359.762 2.992 20 10 FFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000817356068 742128333 /nfs/dbraw/zinc/12/83/33/742128333.db2.gz CXEBXVKPCWYGID-INIZCTEOSA-N -1 1 365.451 2.790 20 10 FFCDMM COCCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1C ZINC000830184409 745320216 /nfs/dbraw/zinc/32/02/16/745320216.db2.gz DJYUGTYSHHUACC-UHFFFAOYSA-N -1 1 373.377 2.805 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000831914920 745605280 /nfs/dbraw/zinc/60/52/80/745605280.db2.gz BILUKVMCHHVYRW-KRWDZBQOSA-N -1 1 371.886 2.649 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@@H]2C2CCC2)c1[O-] ZINC000839630549 746875376 /nfs/dbraw/zinc/87/53/76/746875376.db2.gz XVIHSBJJCDOYPV-MRXNPFEDSA-N -1 1 371.886 2.647 20 10 FFCDMM Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C2CCCCC2)n1 ZINC000783387347 964089860 /nfs/dbraw/zinc/08/98/60/964089860.db2.gz AXPSQHLMUJIZFK-UHFFFAOYSA-N -1 1 358.394 2.919 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000764445343 984490580 /nfs/dbraw/zinc/49/05/80/984490580.db2.gz VARJECVAZWHFCJ-LLVKDONJSA-N -1 1 368.405 2.614 20 10 FFCDMM Cc1cccc(C2(O)CCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c1C ZINC000826109928 1015538306 /nfs/dbraw/zinc/53/83/06/1015538306.db2.gz RJTYPVKBKCUDSZ-UHFFFAOYSA-N -1 1 359.397 2.978 20 10 FFCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cc(F)ccc1[O-] ZINC000175199858 991174499 /nfs/dbraw/zinc/17/44/99/991174499.db2.gz IDOHKZSNMYEDRJ-UHFFFAOYSA-N -1 1 358.413 2.670 20 10 FFCDMM CC(C)[C@@H]1CN(Cc2cccc(I)c2[O-])CCO1 ZINC001237783584 992715157 /nfs/dbraw/zinc/71/51/57/992715157.db2.gz MDAYALORSAWITC-ZDUSSCGKSA-N -1 1 361.223 2.854 20 10 FFCDMM COc1ccc(-c2ocnc2C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000808644663 994199348 /nfs/dbraw/zinc/19/93/48/994199348.db2.gz CCFUACLCKIWZIF-UHFFFAOYSA-N -1 1 369.329 2.801 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]OC2CCOCC2)C1 ZINC000768003141 1000169293 /nfs/dbraw/zinc/16/92/93/1000169293.db2.gz GHULLUTXKKOSIK-UHFFFAOYSA-N -1 1 371.481 2.635 20 10 FFCDMM CC1(C)C[N@@H+](Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC[C@@H]1C(F)(F)F ZINC000846259767 1000247076 /nfs/dbraw/zinc/24/70/76/1000247076.db2.gz UGZBXKFTKJHPEA-NSHDSACASA-N -1 1 372.347 2.544 20 10 FFCDMM CC1(C)CN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)CC[C@@H]1C(F)(F)F ZINC000846259767 1000247082 /nfs/dbraw/zinc/24/70/82/1000247082.db2.gz UGZBXKFTKJHPEA-NSHDSACASA-N -1 1 372.347 2.544 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC3(CC4CC4)CC3)cc12 ZINC001184360717 1002568195 /nfs/dbraw/zinc/56/81/95/1002568195.db2.gz RAVDTNUQZMSANB-UHFFFAOYSA-N -1 1 370.449 2.688 20 10 FFCDMM CSc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(N2CCCC2)n1 ZINC001170316565 1003106409 /nfs/dbraw/zinc/10/64/09/1003106409.db2.gz JGGQBUGPZLCJRP-UHFFFAOYSA-N -1 1 360.439 2.505 20 10 FFCDMM COc1ccc(-c2ccnc(NCC(=O)c3ccc([O-])c(O)c3)n2)cc1 ZINC001170317120 1003107009 /nfs/dbraw/zinc/10/70/09/1003107009.db2.gz ZQRVQTCYENUWQR-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM Cc1cnc2n1CCC21CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193224784 1004403379 /nfs/dbraw/zinc/40/33/79/1004403379.db2.gz AWGJQQOHGWFEQD-UHFFFAOYSA-N -1 1 361.829 2.834 20 10 FFCDMM Cc1c(NC(=O)c2ccc(O)c([O-])c2Cl)c(=O)n(-c2ccccc2)n1C ZINC001193236682 1004413046 /nfs/dbraw/zinc/41/30/46/1004413046.db2.gz MTHKQQZPVMDLCF-UHFFFAOYSA-N -1 1 373.796 2.801 20 10 FFCDMM CC(C)(C)C(=O)N1CCC(CNC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193246960 1004418261 /nfs/dbraw/zinc/41/82/61/1004418261.db2.gz FQEVJEGZGUQKSB-UHFFFAOYSA-N -1 1 368.861 2.766 20 10 FFCDMM O=C(Nc1ccc2c(c1)S(=O)(=O)C=C2)c1ccc(O)c([O-])c1Cl ZINC001193230643 1004429656 /nfs/dbraw/zinc/42/96/56/1004429656.db2.gz ZDOACMMUXJDENM-UHFFFAOYSA-N -1 1 351.767 2.762 20 10 FFCDMM CC1CC(N(C)C(=O)c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)C1 ZINC001152603728 1032202601 /nfs/dbraw/zinc/20/26/01/1032202601.db2.gz MXHZIUPQUGUAJT-UHFFFAOYSA-N -1 1 365.385 2.744 20 10 FFCDMM O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1cc2ccnc(Cl)c2s1 ZINC001182352889 1010532935 /nfs/dbraw/zinc/53/29/35/1010532935.db2.gz DNJALXFFPGSWOV-UHFFFAOYSA-N -1 1 361.839 2.946 20 10 FFCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1cc2ccnc(Cl)c2s1 ZINC001182352889 1010532942 /nfs/dbraw/zinc/53/29/42/1010532942.db2.gz DNJALXFFPGSWOV-UHFFFAOYSA-N -1 1 361.839 2.946 20 10 FFCDMM COc1ccc(F)c2[nH]c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC000796202620 1011329007 /nfs/dbraw/zinc/32/90/07/1011329007.db2.gz QQVBWNGONMHOMG-UHFFFAOYSA-N -1 1 359.309 2.767 20 10 FFCDMM CCCCN1CC[C@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274707187 1011606474 /nfs/dbraw/zinc/60/64/74/1011606474.db2.gz ZRBMWZZHLOJTHY-GOSISDBHSA-N -1 1 366.845 2.758 20 10 FFCDMM CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001275228751 1012109448 /nfs/dbraw/zinc/10/94/48/1012109448.db2.gz GQKMKSJJTQDWQC-BFUOFWGJSA-N -1 1 368.424 2.520 20 10 FFCDMM O=C(CNc1nc(Cl)nc2c1CSCC2)c1ccc([O-])c(O)c1 ZINC001159277735 1027333521 /nfs/dbraw/zinc/33/35/21/1027333521.db2.gz XLIHVKFDUHRCBP-UHFFFAOYSA-N -1 1 351.815 2.625 20 10 FFCDMM O=C(Nc1cc2ccccc2oc1=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222534 1028631582 /nfs/dbraw/zinc/63/15/82/1028631582.db2.gz PSUWCPWNQKAKOX-UHFFFAOYSA-N -1 1 365.297 2.563 20 10 FFCDMM Cc1cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cnc1OC(C)C ZINC001155223758 1028631753 /nfs/dbraw/zinc/63/17/53/1028631753.db2.gz KPCBTFBLUZQFRU-UHFFFAOYSA-N -1 1 370.361 2.947 20 10 FFCDMM CC(C)NC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783078823 1029890073 /nfs/dbraw/zinc/89/00/73/1029890073.db2.gz AMVHNNGNQVERPT-UHFFFAOYSA-N -1 1 372.377 2.667 20 10 FFCDMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1=O ZINC000840998085 1029967880 /nfs/dbraw/zinc/96/78/80/1029967880.db2.gz DGBHNNRNBKITQL-WBVHZDCISA-N -1 1 374.824 2.562 20 10 FFCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2O)C1)C1CC1 ZINC001203650645 1030803656 /nfs/dbraw/zinc/80/36/56/1030803656.db2.gz ZUDIEXAMHUBJJO-CQSZACIVSA-N -1 1 353.260 2.645 20 10 FFCDMM Cn1ncc2c1CN(Cc1cccc(F)c1[O-])C[C@@H]2COc1cccnc1 ZINC001138124961 1033802870 /nfs/dbraw/zinc/80/28/70/1033802870.db2.gz FPWGTFYADRGGQG-OAHLLOKOSA-N -1 1 368.412 2.838 20 10 FFCDMM CCN(CC)c1ccnc([C@H]2COCCN2Cc2cccc(F)c2[O-])n1 ZINC001138127295 1033807906 /nfs/dbraw/zinc/80/79/06/1033807906.db2.gz WFMGXNNHUJRXQN-MRXNPFEDSA-N -1 1 360.433 2.741 20 10 FFCDMM COCCCN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1cc(F)c(Cl)cc1[O-] ZINC001276967151 1033863544 /nfs/dbraw/zinc/86/35/44/1033863544.db2.gz FDHPECKRDABGTP-HZPDHXFCSA-N -1 1 370.852 2.787 20 10 FFCDMM CC1=C[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC(=O)O1 ZINC001227580002 1035616667 /nfs/dbraw/zinc/61/66/67/1035616667.db2.gz DJXXWWCMBUYUET-LLVKDONJSA-N -1 1 350.326 2.766 20 10 FFCDMM COc1ccnc(OC2CCN(Cc3c([O-])cc(F)cc3F)CC2)n1 ZINC001140585411 1035671705 /nfs/dbraw/zinc/67/17/05/1035671705.db2.gz IMRJZIXQYQSMDN-UHFFFAOYSA-N -1 1 351.353 2.512 20 10 FFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@H]1COc2cnccc21 ZINC001228111458 1035938586 /nfs/dbraw/zinc/93/85/86/1035938586.db2.gz UXFSNYVNPMJHJA-KRWDZBQOSA-N -1 1 365.341 2.942 20 10 FFCDMM CC(=O)[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228188341 1035981347 /nfs/dbraw/zinc/98/13/47/1035981347.db2.gz BFBMDBSCRURAGJ-QFYYESIMSA-N -1 1 358.346 2.866 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c(OC[C@@H]3CCC=CO3)cc([O-])c(O)c21 ZINC001229196581 1036547453 /nfs/dbraw/zinc/54/74/53/1036547453.db2.gz FUQQYMPFRANXBR-NSHDSACASA-N -1 1 352.342 2.945 20 10 FFCDMM C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1cnccn1 ZINC001229198468 1036549236 /nfs/dbraw/zinc/54/92/36/1036549236.db2.gz MSMRBHRWAYIVLP-JTQLQIEISA-N -1 1 362.341 2.803 20 10 FFCDMM COC[C@@H]1Cn2ccnc2CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233417207 1036610824 /nfs/dbraw/zinc/61/08/24/1036610824.db2.gz MKJZJMRBZIHBPG-LBPRGKRZSA-N -1 1 355.360 2.886 20 10 FFCDMM [O-]c1c(CN2CC[C@@H](N3CCOCC3)[C@@H](F)C2)cccc1C(F)(F)F ZINC001233419905 1036612781 /nfs/dbraw/zinc/61/27/81/1036612781.db2.gz RATMIMWIEJIQQS-LSDHHAIUSA-N -1 1 362.367 2.656 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1OCCOCCOCCOC(C)C ZINC001233495967 1036659345 /nfs/dbraw/zinc/65/93/45/1036659345.db2.gz OFYFEJUVPJKVRH-UHFFFAOYSA-N -1 1 370.442 2.918 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001233497070 1036661571 /nfs/dbraw/zinc/66/15/71/1036661571.db2.gz MIVUJFYIJQTQNZ-SNVBAGLBSA-N -1 1 363.370 2.961 20 10 FFCDMM CC[C@H](C)N1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)OCC1=O ZINC001277829495 1036906985 /nfs/dbraw/zinc/90/69/85/1036906985.db2.gz DWWMRFUSQFKHJR-NSHDSACASA-N -1 1 373.280 2.911 20 10 FFCDMM CCCCN1C[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277506658 1037534279 /nfs/dbraw/zinc/53/42/79/1037534279.db2.gz JHBWEYXIKFZKJH-SFHVURJKSA-N -1 1 370.852 2.788 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@@H]2CN(Cc3cc(C(=O)[O-])ccc3O)[C@@H]2C1 ZINC001231561260 1037683820 /nfs/dbraw/zinc/68/38/20/1037683820.db2.gz QTEDFJMBPCQHPP-UKRRQHHQSA-N -1 1 362.426 2.532 20 10 FFCDMM C[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001231566002 1037690120 /nfs/dbraw/zinc/69/01/20/1037690120.db2.gz GYDDCFLNTQHFTA-STQMWFEESA-N -1 1 364.442 2.920 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1C[N@H+]2Cc1cc(C(=O)[O-])ccc1O ZINC001231566399 1037692674 /nfs/dbraw/zinc/69/26/74/1037692674.db2.gz IFRSXSBXOBESJU-GJZGRUSLSA-N -1 1 362.426 2.674 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1cc(C(=O)[O-])ccc1O ZINC001231566399 1037692682 /nfs/dbraw/zinc/69/26/82/1037692682.db2.gz IFRSXSBXOBESJU-GJZGRUSLSA-N -1 1 362.426 2.674 20 10 FFCDMM O=C([C@@H]1CCCO1)N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1 ZINC001236793183 1038273492 /nfs/dbraw/zinc/27/34/92/1038273492.db2.gz IYRJNAFFWZFHRG-HNNXBMFYSA-N -1 1 359.253 2.522 20 10 FFCDMM COc1ccnc(N2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)n1 ZINC001237084583 1038440087 /nfs/dbraw/zinc/44/00/87/1038440087.db2.gz LBRFCNJKHJEVLZ-UHFFFAOYSA-N -1 1 369.252 2.820 20 10 FFCDMM CCOCc1nnn2c1CN(Cc1c([O-])ccc(F)c1Cl)CCC2 ZINC001237121625 1038448939 /nfs/dbraw/zinc/44/89/39/1038448939.db2.gz NELKCRQLICHPAK-UHFFFAOYSA-N -1 1 354.813 2.719 20 10 FFCDMM C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])C2 ZINC001251432654 1039128858 /nfs/dbraw/zinc/12/88/58/1039128858.db2.gz HFNBLFUSUYRNDO-JGPRNRPPSA-N -1 1 365.282 2.603 20 10 FFCDMM CCCc1cnc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001262776801 1041849757 /nfs/dbraw/zinc/84/97/57/1041849757.db2.gz NYZSDOCCNSUZOC-UHFFFAOYSA-N -1 1 353.831 2.710 20 10 FFCDMM O=C(C1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)N1CCC(=O)CC1 ZINC001237620414 1043276566 /nfs/dbraw/zinc/27/65/66/1043276566.db2.gz MIRJWJCJTNFSQH-UHFFFAOYSA-N -1 1 368.836 2.588 20 10 FFCDMM CCN(C(=O)c1[nH]nc2c1CN(Cc1c(F)ccc(F)c1[O-])C2)C(C)C ZINC001279740092 1043562479 /nfs/dbraw/zinc/56/24/79/1043562479.db2.gz LMZGPXJQEWRPOQ-UHFFFAOYSA-N -1 1 364.396 2.780 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnc(Cl)c(F)c1 ZINC001309940120 1043598736 /nfs/dbraw/zinc/59/87/36/1043598736.db2.gz FEUHIRMAAHPIGN-UHFFFAOYSA-N -1 1 351.186 2.712 20 10 FFCDMM Cn1[n-]c(CSc2ncc(-c3ccccc3)n2Cc2ccco2)nc1=O ZINC000758367795 1043886063 /nfs/dbraw/zinc/88/60/63/1043886063.db2.gz KZKGTXBCMOQHQH-UHFFFAOYSA-N -1 1 367.434 2.906 20 10 FFCDMM CCN(C(=O)c1cn2c(n1)CN(Cc1c([O-])cccc1F)CC2)C(C)C ZINC001280008101 1044080996 /nfs/dbraw/zinc/08/09/96/1044080996.db2.gz JVWWNBYCZQEKQT-UHFFFAOYSA-N -1 1 360.433 2.614 20 10 FFCDMM O=C(c1cc2c([nH]1)CN(Cc1c([O-])cccc1F)CC2)N1CCCCO1 ZINC001280014068 1044087007 /nfs/dbraw/zinc/08/70/07/1044087007.db2.gz VWFXYBHFZWJMTN-UHFFFAOYSA-N -1 1 359.401 2.585 20 10 FFCDMM CC(C)CC(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC001336707064 1054152304 /nfs/dbraw/zinc/15/23/04/1054152304.db2.gz FTXSNUXHWYJSAT-UHFFFAOYSA-N -1 1 367.877 2.882 20 10 FFCDMM CS(=O)(=O)c1cc([N+](=O)[O-])ccc1NCc1cccc(Cl)c1[O-] ZINC001458698428 1060650292 /nfs/dbraw/zinc/65/02/92/1060650292.db2.gz OFLVTICCLVLOJT-UHFFFAOYSA-N -1 1 356.787 2.969 20 10 FFCDMM CS(=O)(=O)c1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001562118728 1076477175 /nfs/dbraw/zinc/47/71/75/1076477175.db2.gz URGIMYIZBRIJJJ-UHFFFAOYSA-N -1 1 354.815 2.771 20 10 FFCDMM CC(C)[C@@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(=O)[O-] ZINC001588946431 1080277132 /nfs/dbraw/zinc/27/71/32/1080277132.db2.gz GPIXNFGYDNODHA-HXUWFJFHSA-N -1 1 371.481 2.633 20 10 FFCDMM C[C@H](Nc1cccc2c1OCCCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589986165 1080923783 /nfs/dbraw/zinc/92/37/83/1080923783.db2.gz ZEXNKDYCIHKNKS-NSHDSACASA-N -1 1 353.382 2.907 20 10 FFCDMM Cn1ccnc1[C@H](O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191444779 510663821 /nfs/dbraw/zinc/66/38/21/510663821.db2.gz IABDLOBLLGRAAJ-MEDUHNTESA-N -1 1 353.825 2.864 20 10 FFCDMM CC(C)OC(=O)[C@@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277693100 510968886 /nfs/dbraw/zinc/96/88/86/510968886.db2.gz HBCDNXTZOBRNIZ-JTQLQIEISA-N -1 1 373.247 2.542 20 10 FFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@@H](c2nc(=O)[n-][nH]2)C1 ZINC000294153949 510974023 /nfs/dbraw/zinc/97/40/23/510974023.db2.gz BKMBIWMZCDLCNK-CYBMUJFWSA-N -1 1 371.466 2.587 20 10 FFCDMM COC(OC)c1ccc(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000288596700 511080592 /nfs/dbraw/zinc/08/05/92/511080592.db2.gz YHOLPILKADKAQQ-UHFFFAOYSA-N -1 1 370.199 2.969 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN(CCCO)Cc2ccccn2)c1[O-] ZINC000289441838 511101790 /nfs/dbraw/zinc/10/17/90/511101790.db2.gz MBBTVUDIQGJXAS-UHFFFAOYSA-N -1 1 351.790 2.733 20 10 FFCDMM CC(C)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(Br)cc1[O-] ZINC000290249378 511132998 /nfs/dbraw/zinc/13/29/98/511132998.db2.gz JTOZRVSRNBPKKM-JTQLQIEISA-N -1 1 350.278 2.629 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1snnc1C1CC1 ZINC000290481892 511143152 /nfs/dbraw/zinc/14/31/52/511143152.db2.gz QXQKYQMWLTUIDW-UHFFFAOYSA-N -1 1 354.229 2.814 20 10 FFCDMM COc1cc(Br)cc(CN2CC[C@@H](n3cccn3)C2)c1O ZINC000365845405 511683186 /nfs/dbraw/zinc/68/31/86/511683186.db2.gz CWCGMIKOJPIIPE-CYBMUJFWSA-N -1 1 352.232 2.807 20 10 FFCDMM COc1cc(Br)cc(CN2CC[C@H](n3cccn3)C2)c1O ZINC000365845406 511683897 /nfs/dbraw/zinc/68/38/97/511683897.db2.gz CWCGMIKOJPIIPE-ZDUSSCGKSA-N -1 1 352.232 2.807 20 10 FFCDMM CCOC(=O)C1([S@](C)=O)CCN([C@@H](C)c2ccc(C)cc2O)CC1 ZINC000296510643 511773144 /nfs/dbraw/zinc/77/31/44/511773144.db2.gz PMOVRIZMQPSQKF-BSEYFRJRSA-N -1 1 353.484 2.538 20 10 FFCDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000528281976 518162773 /nfs/dbraw/zinc/16/27/73/518162773.db2.gz QEZGYASQYLHUEZ-COMAGPEQSA-N -1 1 357.248 2.766 20 10 FFCDMM COC(=O)c1cccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000737708466 600314922 /nfs/dbraw/zinc/31/49/22/600314922.db2.gz MIJUGGRWARKFPE-UHFFFAOYSA-N -1 1 363.797 2.919 20 10 FFCDMM COC(=O)c1cccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])c1 ZINC000737708466 600314925 /nfs/dbraw/zinc/31/49/25/600314925.db2.gz MIJUGGRWARKFPE-UHFFFAOYSA-N -1 1 363.797 2.919 20 10 FFCDMM O=C(C[C@@H]1CCC[C@H](C(F)(F)F)O1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000924328847 738403334 /nfs/dbraw/zinc/40/33/34/738403334.db2.gz QQYPTLLCWMXIGK-IINYFYTJSA-N -1 1 362.300 2.714 20 10 FFCDMM COc1ccc(O)c([C@H](C)[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC000751317938 735863827 /nfs/dbraw/zinc/86/38/27/735863827.db2.gz ISPDIDHJHZESNP-VIFPVBQESA-N -1 1 373.377 2.727 20 10 FFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)cn1 ZINC000874048858 732001759 /nfs/dbraw/zinc/00/17/59/732001759.db2.gz DVWPXLIORFOLRB-JQWIXIFHSA-N -1 1 367.808 2.609 20 10 FFCDMM COc1ccc(Cl)cc1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782203612 738697597 /nfs/dbraw/zinc/69/75/97/738697597.db2.gz RVYUDIPBQLYUQW-UHFFFAOYSA-N -1 1 350.754 2.728 20 10 FFCDMM O=C(COC(=O)c1ccc(Br)cc1O)c1ccc([O-])c(O)c1 ZINC000783256922 738795746 /nfs/dbraw/zinc/79/57/46/738795746.db2.gz RVLJDDXQWMYGJK-UHFFFAOYSA-N -1 1 367.151 2.606 20 10 FFCDMM CO[C@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759856 734336628 /nfs/dbraw/zinc/33/66/28/734336628.db2.gz SIJHKHCTVQMXHU-LBPRGKRZSA-N -1 1 372.849 2.592 20 10 FFCDMM CCOCn1nc(C)c(CC(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000890761016 734336650 /nfs/dbraw/zinc/33/66/50/734336650.db2.gz IKPXPJBYDAQJCW-UHFFFAOYSA-N -1 1 351.834 2.712 20 10 FFCDMM CCC[C@H](CCCS(C)(=O)=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760070 734336657 /nfs/dbraw/zinc/33/66/57/734336657.db2.gz ZWGRFLRBQQBFIK-GFCCVEGCSA-N -1 1 361.891 2.903 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCN(Cc2ccccc2)C1=O ZINC000890762837 734337135 /nfs/dbraw/zinc/33/71/35/734337135.db2.gz KIYXWWDPKKBINI-OAHLLOKOSA-N -1 1 358.825 2.711 20 10 FFCDMM CC[S@](=O)[C@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893477955 734706164 /nfs/dbraw/zinc/70/61/64/734706164.db2.gz LQDIYJWNXIHCKZ-XCMOZONUSA-N -1 1 358.891 2.925 20 10 FFCDMM O=C1CCCN1[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894014555 734786745 /nfs/dbraw/zinc/78/67/45/734786745.db2.gz MQLUVBJZCQBXGT-ZDUSSCGKSA-N -1 1 371.250 2.881 20 10 FFCDMM Cc1cc(N2CCC(NC(=O)NCc3cccc(Cl)c3[O-])CC2)n[nH]1 ZINC000894336583 734840289 /nfs/dbraw/zinc/84/02/89/734840289.db2.gz WXKBNURZDNAKOB-UHFFFAOYSA-N -1 1 363.849 2.545 20 10 FFCDMM O=C1OCCN1C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895340442 734992998 /nfs/dbraw/zinc/99/29/98/734992998.db2.gz SGOMZBSESFFPJC-UHFFFAOYSA-N -1 1 373.222 2.710 20 10 FFCDMM Cc1nsc(C)c1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000752872997 736019326 /nfs/dbraw/zinc/01/93/26/736019326.db2.gz HMEQMLVXYCGTSZ-UHFFFAOYSA-N -1 1 366.424 2.554 20 10 FFCDMM O=S(=O)([N-]c1ccc2nc(C(F)F)[nH]c2c1)c1cccc2nonc21 ZINC000759145626 736550579 /nfs/dbraw/zinc/55/05/79/736550579.db2.gz DISHDKATYLHPOQ-UHFFFAOYSA-N -1 1 365.321 2.838 20 10 FFCDMM O=C(NCCc1ccncc1)NCc1cccc(Br)c1[O-] ZINC000765534184 737130995 /nfs/dbraw/zinc/13/09/95/737130995.db2.gz KJCDQRADAYTTQY-UHFFFAOYSA-N -1 1 350.216 2.592 20 10 FFCDMM CCOc1cc(C)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769712660 737556571 /nfs/dbraw/zinc/55/65/71/737556571.db2.gz KUAZIYQKQRVDBM-UHFFFAOYSA-N -1 1 364.423 2.723 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CNCc2nc3c(s2)COCC3)c1[O-] ZINC000922965756 738226097 /nfs/dbraw/zinc/22/60/97/738226097.db2.gz YYBBDIODZQHLCG-UHFFFAOYSA-N -1 1 355.803 2.773 20 10 FFCDMM Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(-c2cccs2)n1 ZINC000784489519 738897932 /nfs/dbraw/zinc/89/79/32/738897932.db2.gz PIRLXBJBVDHRQZ-UHFFFAOYSA-N -1 1 358.375 2.600 20 10 FFCDMM Cn1nc([C@H]2CCCO2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000931135567 739217235 /nfs/dbraw/zinc/21/72/35/739217235.db2.gz GWFBIZNRJADDIO-CYBMUJFWSA-N -1 1 350.806 2.952 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C[C@@H]2CCOC2)c1[O-] ZINC000933670152 739670240 /nfs/dbraw/zinc/67/02/40/739670240.db2.gz HYXNZPFDZBCJIX-XJKSGUPXSA-N -1 1 353.846 2.876 20 10 FFCDMM COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000800838250 740553879 /nfs/dbraw/zinc/55/38/79/740553879.db2.gz ZHCSWPIPVYXQGM-UHFFFAOYSA-N -1 1 351.380 2.517 20 10 FFCDMM CCOC(=O)C(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000807416984 741133479 /nfs/dbraw/zinc/13/34/79/741133479.db2.gz QEIVAPSFAYXHMD-UHFFFAOYSA-N -1 1 358.232 2.750 20 10 FFCDMM COc1cc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)cc1C ZINC000808126957 741190624 /nfs/dbraw/zinc/19/06/24/741190624.db2.gz YVMPTHKCXXVVQX-UHFFFAOYSA-N -1 1 353.787 2.994 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000809698243 741333274 /nfs/dbraw/zinc/33/32/74/741333274.db2.gz WPYAHXFDDPMMSX-HUUCEWRRSA-N -1 1 356.260 2.843 20 10 FFCDMM C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000817769970 742210129 /nfs/dbraw/zinc/21/01/29/742210129.db2.gz XIQQLSOXPYZCFX-WDEREUQCSA-N -1 1 353.390 2.677 20 10 FFCDMM Cc1ccn([C@H](C)CC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000834476228 745846199 /nfs/dbraw/zinc/84/61/99/745846199.db2.gz SAEOSYVEZJOEML-LLVKDONJSA-N -1 1 352.232 2.927 20 10 FFCDMM Cn1ncc(C2CC2)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000834476496 745846937 /nfs/dbraw/zinc/84/69/37/745846937.db2.gz ZWCKEJCUTFCKMT-UHFFFAOYSA-N -1 1 350.216 2.696 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)cc([N+](=O)[O-])c1C ZINC000840916774 747223860 /nfs/dbraw/zinc/22/38/60/747223860.db2.gz DJPLBXUASRMLPF-UHFFFAOYSA-N -1 1 366.395 2.864 20 10 FFCDMM Cc1ccc(C(=O)Nc2ccc(Cl)c(C[N@@H+](C)CCO)c2)c(O)c1O ZINC000847078487 748615126 /nfs/dbraw/zinc/61/51/26/748615126.db2.gz JBUXHJMKQITMJC-UHFFFAOYSA-N -1 1 364.829 2.736 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN[C@]2(C(=O)OC(C)(C)C)CCOC2)c1[O-] ZINC000852491371 749875425 /nfs/dbraw/zinc/87/54/25/749875425.db2.gz AWKSSFRCSPKZNM-GOSISDBHSA-N -1 1 369.845 2.839 20 10 FFCDMM CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000055319105 845327556 /nfs/dbraw/zinc/32/75/56/845327556.db2.gz PGMQKTWMXKJULL-UHFFFAOYSA-N -1 1 368.386 2.554 20 10 FFCDMM COc1cccc([C@H](C)N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000825737361 1013835069 /nfs/dbraw/zinc/83/50/69/1013835069.db2.gz ZWEPDZORMDLCRR-ZDUSSCGKSA-N -1 1 374.412 2.765 20 10 FFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487921 973612279 /nfs/dbraw/zinc/61/22/79/973612279.db2.gz AYMSOILJXSAZPO-IAGOWNOFSA-N -1 1 365.433 2.969 20 10 FFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487921 973612290 /nfs/dbraw/zinc/61/22/90/973612290.db2.gz AYMSOILJXSAZPO-IAGOWNOFSA-N -1 1 365.433 2.969 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(CC(=O)[O-])c1 ZINC001591756557 975826504 /nfs/dbraw/zinc/82/65/04/975826504.db2.gz BWVTZZDBRRNLJH-UHFFFAOYSA-N -1 1 365.407 2.607 20 10 FFCDMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000765409474 985067562 /nfs/dbraw/zinc/06/75/62/985067562.db2.gz LXSCCEASSWCPCU-UHFFFAOYSA-N -1 1 368.437 2.996 20 10 FFCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cncc([O-])c1 ZINC000174596669 986256982 /nfs/dbraw/zinc/25/69/82/986256982.db2.gz USJKFKVCAVTGIV-ZDUSSCGKSA-N -1 1 363.364 2.787 20 10 FFCDMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)n1-c1cccc(C)c1 ZINC000183424595 992444910 /nfs/dbraw/zinc/44/49/10/992444910.db2.gz YYQWFIFFWWPQEM-CYBMUJFWSA-N -1 1 352.442 2.791 20 10 FFCDMM COC(=O)c1coc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])c1 ZINC001599011972 998906381 /nfs/dbraw/zinc/90/63/81/998906381.db2.gz MRCSOCLPWNXGPR-UHFFFAOYSA-N -1 1 360.341 2.685 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]1c1cccc(F)c1)cc2=O ZINC000846241458 1000242166 /nfs/dbraw/zinc/24/21/66/1000242166.db2.gz RFRVNSHHUVDTRS-OAHLLOKOSA-N -1 1 356.357 2.609 20 10 FFCDMM O=C(NCc1nn(-c2ccccc2)c2c1CCC2)c1c(F)ccc(O)c1[O-] ZINC001182425318 1001836688 /nfs/dbraw/zinc/83/66/88/1001836688.db2.gz PLLQZYOQKHFLTD-UHFFFAOYSA-N -1 1 367.380 2.841 20 10 FFCDMM Cc1cccc(NC(=O)N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000789974030 1002255057 /nfs/dbraw/zinc/25/50/57/1002255057.db2.gz KVTNSHRPNMMCCO-UHFFFAOYSA-N -1 1 373.384 2.535 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)c1ccc(Br)cn1 ZINC001196166350 1003692273 /nfs/dbraw/zinc/69/22/73/1003692273.db2.gz DWMVVMHJZAAQEE-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM CC(C)Oc1c(F)ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1F ZINC001196920961 1004000119 /nfs/dbraw/zinc/00/01/19/1004000119.db2.gz FLSSTSBCJVRKRW-UHFFFAOYSA-N -1 1 365.332 2.776 20 10 FFCDMM O=C(CNC(=O)c1c(Cl)ccnc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001197238690 1004136835 /nfs/dbraw/zinc/13/68/35/1004136835.db2.gz MCKFJTTXEFBDMK-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001193219655 1004407239 /nfs/dbraw/zinc/40/72/39/1004407239.db2.gz LTVPUKYJHMVHAZ-TVQRCGJNSA-N -1 1 371.714 2.619 20 10 FFCDMM COc1cccnc1C(C)(C)CNC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247417 1004417972 /nfs/dbraw/zinc/41/79/72/1004417972.db2.gz YDFNKXOMHYOLHJ-UHFFFAOYSA-N -1 1 350.802 2.862 20 10 FFCDMM COC[C@@H]1COCCC12CCN(C(=O)c1ccc(O)c([O-])c1Cl)CC2 ZINC001193225037 1004428751 /nfs/dbraw/zinc/42/87/51/1004428751.db2.gz GEOQUCDMGDEBTD-GFCCVEGCSA-N -1 1 369.845 2.657 20 10 FFCDMM Cc1cc(C)c(NC(=O)c2cc(O)c(O)c(Cl)c2)c(S(=O)(=O)[O-])c1 ZINC001193625797 1004527564 /nfs/dbraw/zinc/52/75/64/1004527564.db2.gz UBCAYJBEBKVPOY-UHFFFAOYSA-N -1 1 371.798 2.867 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])C1=Cc2ccccc2OC1 ZINC001195882255 1005067962 /nfs/dbraw/zinc/06/79/62/1005067962.db2.gz LQKDHHQMYNVZPY-UHFFFAOYSA-N -1 1 351.811 2.899 20 10 FFCDMM C[C@@]12COC[C@H]1C[N@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567100 1006448329 /nfs/dbraw/zinc/44/83/29/1006448329.db2.gz SXOGSLAEULALFA-QVKFZJNVSA-N -1 1 353.418 2.797 20 10 FFCDMM C[C@@]12COC[C@H]1C[N@@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567100 1006448331 /nfs/dbraw/zinc/44/83/31/1006448331.db2.gz SXOGSLAEULALFA-QVKFZJNVSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1[O-] ZINC000853587154 1006459741 /nfs/dbraw/zinc/45/97/41/1006459741.db2.gz FRYYAZRCUNKIRM-HOTGVXAUSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c1[O-] ZINC000853587154 1006459746 /nfs/dbraw/zinc/45/97/46/1006459746.db2.gz FRYYAZRCUNKIRM-HOTGVXAUSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(Cc1ccccc1-c1cccnc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177979784 1008827490 /nfs/dbraw/zinc/82/74/90/1008827490.db2.gz VJTLLAWBBHWUOQ-UHFFFAOYSA-N -1 1 362.385 2.701 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1[C@@H]1CCOC1 ZINC000860255194 1008919404 /nfs/dbraw/zinc/91/94/04/1008919404.db2.gz SZOGIBYRQXTTPU-CQSZACIVSA-N -1 1 359.378 2.517 20 10 FFCDMM CC[C@@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001275228754 1012108764 /nfs/dbraw/zinc/10/87/64/1012108764.db2.gz GQKMKSJJTQDWQC-YJYMSZOUSA-N -1 1 368.424 2.520 20 10 FFCDMM COc1ccccc1N1CCCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000900793881 1020647377 /nfs/dbraw/zinc/64/73/77/1020647377.db2.gz SRZVOGXIRXGYIC-UHFFFAOYSA-N -1 1 360.385 2.598 20 10 FFCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NC2=O ZINC000755984429 1023656177 /nfs/dbraw/zinc/65/61/77/1023656177.db2.gz JMINJFHMUCDFBZ-UHFFFAOYSA-N -1 1 374.418 2.508 20 10 FFCDMM CC(C)NC(=O)Nc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000757046451 1023786182 /nfs/dbraw/zinc/78/61/82/1023786182.db2.gz GTQUKEFOFSDELV-UHFFFAOYSA-N -1 1 372.377 2.667 20 10 FFCDMM COC(=O)c1cc2ccccc2nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159278739 1027333098 /nfs/dbraw/zinc/33/30/98/1027333098.db2.gz AJIBFHYHSIINFS-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM CC(C)n1cnc2c1nc(Cl)nc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279730 1027335542 /nfs/dbraw/zinc/33/55/42/1027335542.db2.gz WLBAGEYUUQELEV-UHFFFAOYSA-N -1 1 361.789 2.767 20 10 FFCDMM O=C(NCc1cc(Cl)cc(Cl)c1O)c1ccc2oc(=O)nc-2[n-]1 ZINC001160600134 1027770281 /nfs/dbraw/zinc/77/02/81/1027770281.db2.gz PGKQQFQNTTYQAS-UHFFFAOYSA-N -1 1 354.149 2.871 20 10 FFCDMM O=C(CNC(=O)c1ccc(Cl)c2cnccc12)c1ccc([O-])c(O)c1 ZINC001155203740 1028624759 /nfs/dbraw/zinc/62/47/59/1028624759.db2.gz XSUDFFVAVBLRCQ-UHFFFAOYSA-N -1 1 356.765 2.912 20 10 FFCDMM O=C(Nc1ccc(C2OCCO2)cc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227838 1028635265 /nfs/dbraw/zinc/63/52/65/1028635265.db2.gz FTVCAADEUBPYBS-UHFFFAOYSA-N -1 1 369.329 2.502 20 10 FFCDMM Cc1ccccc1-n1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000783633618 1030203333 /nfs/dbraw/zinc/20/33/33/1030203333.db2.gz REOLYASQHMXPGH-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM Nc1cccc(NC(=O)c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)c1 ZINC001218828884 1033363684 /nfs/dbraw/zinc/36/36/84/1033363684.db2.gz OPIVKUHRCQMVRW-UHFFFAOYSA-N -1 1 374.352 2.708 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1cnc2nccn2c1 ZINC001219576456 1033701067 /nfs/dbraw/zinc/70/10/67/1033701067.db2.gz GTFOPPPGPDGOSB-UHFFFAOYSA-N -1 1 362.187 2.519 20 10 FFCDMM CCOC[C@H]1CN(Cc2cccc(F)c2[O-])Cc2nnn(CC3CC3)c21 ZINC001138123907 1033801825 /nfs/dbraw/zinc/80/18/25/1033801825.db2.gz RAXSFCFAIHHBGX-OAHLLOKOSA-N -1 1 360.433 2.669 20 10 FFCDMM COC[C@H](C)OC[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578404 1035616190 /nfs/dbraw/zinc/61/61/90/1035616190.db2.gz SXVMAKOSLYRABE-QWHCGFSZSA-N -1 1 370.401 2.986 20 10 FFCDMM CO[C@@H](C)CO[C@@H](C)COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578805 1035616262 /nfs/dbraw/zinc/61/62/62/1035616262.db2.gz XVDMUOQTEYAQSY-STQMWFEESA-N -1 1 370.401 2.986 20 10 FFCDMM O=C1CCCC2(CCN(Cc3c([O-])cc(Br)cc3F)CC2)N1 ZINC001233029522 1036267521 /nfs/dbraw/zinc/26/75/21/1036267521.db2.gz OHABUURMTJFSQB-UHFFFAOYSA-N -1 1 371.250 2.929 20 10 FFCDMM CCCO[C@H]1CCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233307862 1036513782 /nfs/dbraw/zinc/51/37/82/1036513782.db2.gz SWMNPRFLTFERLN-ZDUSSCGKSA-N -1 1 372.259 2.942 20 10 FFCDMM C[C@@H]1C[C@@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001229197090 1036546440 /nfs/dbraw/zinc/54/64/40/1036546440.db2.gz MSVZSJFCEHTTJA-MNOVXSKESA-N -1 1 354.358 2.820 20 10 FFCDMM COc1cc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)ncn1 ZINC001233419123 1036613558 /nfs/dbraw/zinc/61/35/58/1036613558.db2.gz KHBUNJCFMPWUQO-UHFFFAOYSA-N -1 1 368.359 2.532 20 10 FFCDMM COC(=O)C[C@@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229828713 1036922662 /nfs/dbraw/zinc/92/26/62/1036922662.db2.gz DIYVMAMANLKISJ-SNVBAGLBSA-N -1 1 354.358 2.806 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H](C[N+](=O)[O-])C1CC1)C(=O)c1ccccc1C2=O ZINC001229828910 1036922896 /nfs/dbraw/zinc/92/28/96/1036922896.db2.gz HXFCKANSYXHWKS-MRXNPFEDSA-N -1 1 367.357 2.910 20 10 FFCDMM O=C1CCC[C@]2(CCCN(Cc3cc(F)cc(Br)c3[O-])C2)N1 ZINC001235297837 1037459610 /nfs/dbraw/zinc/45/96/10/1037459610.db2.gz KYZWGVADGZBZGO-MRXNPFEDSA-N -1 1 371.250 2.929 20 10 FFCDMM CC(C)CN1C[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277509912 1037549962 /nfs/dbraw/zinc/54/99/62/1037549962.db2.gz JTMVVJBXLXLDTR-GOSISDBHSA-N -1 1 370.852 2.644 20 10 FFCDMM CCOC(=O)[C@@]12C[C@@H]1CCN2Cc1cc(C)cc(Br)c1[O-] ZINC001236663954 1038179458 /nfs/dbraw/zinc/17/94/58/1038179458.db2.gz REKZMYVNLHRIIW-BLLLJJGKSA-N -1 1 354.244 2.991 20 10 FFCDMM COc1ccnc(N2CCN(Cc3cc(Cl)c(Cl)cc3[O-])CC2)n1 ZINC001236799854 1038278421 /nfs/dbraw/zinc/27/84/21/1038278421.db2.gz QTTBHBNELREVEG-UHFFFAOYSA-N -1 1 369.252 2.820 20 10 FFCDMM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278023375 1038334070 /nfs/dbraw/zinc/33/40/70/1038334070.db2.gz UUNVHEIQWCIJKD-ADLMAVQZSA-N -1 1 368.836 2.729 20 10 FFCDMM O=C1COC2(CN(Cc3c([O-])ccc(F)c3Cl)C2)CN1C1CCCC1 ZINC001278023204 1038334888 /nfs/dbraw/zinc/33/48/88/1038334888.db2.gz OAKFXQKPUPVAAN-UHFFFAOYSA-N -1 1 368.836 2.541 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(C)c1 ZINC001214002979 1041153164 /nfs/dbraw/zinc/15/31/64/1041153164.db2.gz HDQGXSUCKJOSJA-UHFFFAOYSA-N -1 1 369.826 2.619 20 10 FFCDMM Cc1n[nH]c(C)c1C[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC001321988275 1045903255 /nfs/dbraw/zinc/90/32/55/1045903255.db2.gz BVXMSTUNIICRKE-VIFPVBQESA-N -1 1 366.259 2.990 20 10 FFCDMM CCN(CC)c1ccc(CN(C)C(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1 ZINC000767368076 1061762275 /nfs/dbraw/zinc/76/22/75/1061762275.db2.gz YJFGBOOKTJAWDN-UHFFFAOYSA-N -1 1 358.398 2.814 20 10 FFCDMM Cn1nccc1[C@@H](NCc1ccc(Cl)cc1[O-])C(=O)OC(C)(C)C ZINC001560914368 1076309474 /nfs/dbraw/zinc/30/94/74/1076309474.db2.gz IQJIADZUYGSLQU-OAHLLOKOSA-N -1 1 351.834 2.952 20 10 FFCDMM Cc1ccc(O)c(C[N-]S(=O)(=O)c2cc(F)c(C)cc2[N+](=O)[O-])c1 ZINC001561765465 1076419395 /nfs/dbraw/zinc/41/93/95/1076419395.db2.gz GNTVWEAFFWTHMW-UHFFFAOYSA-N -1 1 354.359 2.535 20 10 FFCDMM C[C@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984930 1080922502 /nfs/dbraw/zinc/92/25/02/1080922502.db2.gz XXSYHEVYEDSZNN-MEDUHNTESA-N -1 1 364.409 2.697 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(S(=O)(=O)CC)c1 ZINC000276871453 510948226 /nfs/dbraw/zinc/94/82/26/510948226.db2.gz LGRUIGRHCHDRHW-UHFFFAOYSA-N -1 1 369.464 2.549 20 10 FFCDMM C[C@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277390107 510962104 /nfs/dbraw/zinc/96/21/04/510962104.db2.gz IZHOCZKMIYQNFY-WDEREUQCSA-N -1 1 357.248 2.769 20 10 FFCDMM O=C(NCC[C@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277458586 510962886 /nfs/dbraw/zinc/96/28/86/510962886.db2.gz NVFWSQOTBLUMKE-GFCCVEGCSA-N -1 1 357.248 2.913 20 10 FFCDMM CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@H]2CCO[C@@H]21 ZINC000277481212 510963034 /nfs/dbraw/zinc/96/30/34/510963034.db2.gz PQRDWTOOBRTYEF-GDLCADMTSA-N -1 1 369.259 2.767 20 10 FFCDMM Cc1noc(C)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277481314 510963348 /nfs/dbraw/zinc/96/33/48/510963348.db2.gz PSVMZDAGDAXTRG-UHFFFAOYSA-N -1 1 354.204 2.759 20 10 FFCDMM COC(=O)[C@@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277605816 510967902 /nfs/dbraw/zinc/96/79/02/510967902.db2.gz USUPNYDSPFHOSY-GHMZBOCLSA-N -1 1 370.243 2.750 20 10 FFCDMM COc1c([O-])c(CN(C)CC(=O)Nc2c(C)cccc2C)ccc1[N+](=O)[O-] ZINC000278212273 510985279 /nfs/dbraw/zinc/98/52/79/510985279.db2.gz KHSRHAHBQKYRHX-UHFFFAOYSA-N -1 1 373.409 2.996 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289866906 511117921 /nfs/dbraw/zinc/11/79/21/511117921.db2.gz VQDVDPUFIZLHOD-MWLCHTKSSA-N -1 1 368.739 2.947 20 10 FFCDMM C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294871685 511205356 /nfs/dbraw/zinc/20/53/56/511205356.db2.gz DWNAPSAQUFHFSV-GHMZBOCLSA-N -1 1 368.405 2.612 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](n2ccc(C(F)(F)F)n2)C1 ZINC000295725635 511497177 /nfs/dbraw/zinc/49/71/77/511497177.db2.gz VCDOWDNSOGCODP-VIFPVBQESA-N -1 1 373.306 2.930 20 10 FFCDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296572216 511803037 /nfs/dbraw/zinc/80/30/37/511803037.db2.gz DGAQSQKNZBDIGB-JQWIXIFHSA-N -1 1 368.405 2.612 20 10 FFCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])N(C)CC(F)(F)F ZINC000281452337 511853743 /nfs/dbraw/zinc/85/37/43/511853743.db2.gz COGYAICEGGNAFE-QMMMGPOBSA-N -1 1 369.181 2.654 20 10 FFCDMM CN1CCCc2cc(CNc3c4ccccc4nnc3-c3nnn[n-]3)ccc21 ZINC000736857288 598963447 /nfs/dbraw/zinc/96/34/47/598963447.db2.gz PWPUXPJFWLIBQR-UHFFFAOYSA-N -1 1 372.436 2.804 20 10 FFCDMM CN1CCCc2cc(CNc3c4ccccc4nnc3-c3nn[n-]n3)ccc21 ZINC000736857288 598963449 /nfs/dbraw/zinc/96/34/49/598963449.db2.gz PWPUXPJFWLIBQR-UHFFFAOYSA-N -1 1 372.436 2.804 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1c1ccccc1 ZINC000823503378 599380702 /nfs/dbraw/zinc/38/07/02/599380702.db2.gz FELWEKCKXLDVMC-XYOKQWHBSA-N -1 1 355.404 2.866 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1c1ccccc1 ZINC000823503378 599380703 /nfs/dbraw/zinc/38/07/03/599380703.db2.gz FELWEKCKXLDVMC-XYOKQWHBSA-N -1 1 355.404 2.866 20 10 FFCDMM O=C([O-])NCCCOC1CC[NH+](Cc2c([O-])ccc3ccncc32)CC1 ZINC000832633578 604151164 /nfs/dbraw/zinc/15/11/64/604151164.db2.gz UJSJLIPGJPBYHG-UHFFFAOYSA-N -1 1 359.426 2.579 20 10 FFCDMM Clc1ccc(NCCCSc2nccs2)nc1-c1nnn[n-]1 ZINC000822578472 606467246 /nfs/dbraw/zinc/46/72/46/606467246.db2.gz JNWSWJNRIGFNKX-UHFFFAOYSA-N -1 1 353.864 2.966 20 10 FFCDMM Clc1ccc(NCCCSc2nccs2)nc1-c1nn[n-]n1 ZINC000822578472 606467247 /nfs/dbraw/zinc/46/72/47/606467247.db2.gz JNWSWJNRIGFNKX-UHFFFAOYSA-N -1 1 353.864 2.966 20 10 FFCDMM CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nnn[n-]3)c2)cc1F ZINC000825878747 607840580 /nfs/dbraw/zinc/84/05/80/607840580.db2.gz DFUGHAAEDFKQNC-UHFFFAOYSA-N -1 1 357.349 2.592 20 10 FFCDMM CN(C)c1ccc(CNc2ccc([N+](=O)[O-])c(-c3nn[n-]n3)c2)cc1F ZINC000825878747 607840581 /nfs/dbraw/zinc/84/05/81/607840581.db2.gz DFUGHAAEDFKQNC-UHFFFAOYSA-N -1 1 357.349 2.592 20 10 FFCDMM CN(C)c1ccc(CNc2ccc(-c3nn[n-]n3)c([N+](=O)[O-])c2)cc1F ZINC000825879428 607840594 /nfs/dbraw/zinc/84/05/94/607840594.db2.gz NEMVVEXBMREFSY-UHFFFAOYSA-N -1 1 357.349 2.592 20 10 FFCDMM C[C@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000857864247 730413123 /nfs/dbraw/zinc/41/31/23/730413123.db2.gz GJADKZJGVIURBU-JOYOIKCWSA-N -1 1 364.243 2.860 20 10 FFCDMM O=C([O-])c1cc(NS(=O)(=O)c2c[nH]c3cccc(F)c32)ccc1O ZINC000769871038 737576434 /nfs/dbraw/zinc/57/64/34/737576434.db2.gz VUZBFESSESPZEC-UHFFFAOYSA-N -1 1 350.327 2.512 20 10 FFCDMM C[C@H]1C[C@@H]1c1noc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000865984425 731018690 /nfs/dbraw/zinc/01/86/90/731018690.db2.gz GZMYFNKETXYJNZ-CBAPKCEASA-N -1 1 352.188 2.591 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1C(F)(F)F ZINC000868991337 731352897 /nfs/dbraw/zinc/35/28/97/731352897.db2.gz SZFPCNINQYZUIS-VXNVDRBHSA-N -1 1 353.138 2.905 20 10 FFCDMM C[C@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccccc1O ZINC000882502432 733235374 /nfs/dbraw/zinc/23/53/74/733235374.db2.gz JNWDJLFKLVHNJJ-AMXDTQDGSA-N -1 1 360.501 2.718 20 10 FFCDMM CCOC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886962894 733865619 /nfs/dbraw/zinc/86/56/19/733865619.db2.gz GTELXYDDKLMFKT-GOEBONIOSA-N -1 1 369.845 2.839 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN1C(=O)c1ccccc1 ZINC000890758157 734336431 /nfs/dbraw/zinc/33/64/31/734336431.db2.gz RZCBTNZFUBAXBH-INIZCTEOSA-N -1 1 358.825 2.967 20 10 FFCDMM Cc1cc(Br)cn2c(C=C3SC(=S)[N-]C3=O)cnc12 ZINC000783696114 738827297 /nfs/dbraw/zinc/82/72/97/738827297.db2.gz DPJIZIBVPUOHQK-YCRREMRBSA-N -1 1 354.254 2.894 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)N3CCCC3)CC2)c1[O-] ZINC000750038074 735767802 /nfs/dbraw/zinc/76/78/02/735767802.db2.gz UURYCIVMVNOXQD-UHFFFAOYSA-N -1 1 365.861 2.582 20 10 FFCDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1ccc(O)cc1OC(C)C ZINC000761998975 736781061 /nfs/dbraw/zinc/78/10/61/736781061.db2.gz DKAGFFUGPRIRBL-UHFFFAOYSA-N -1 1 365.407 2.987 20 10 FFCDMM O=C(NCCCCn1ccnc1)NCc1cccc(Br)c1[O-] ZINC000764763481 737046820 /nfs/dbraw/zinc/04/68/20/737046820.db2.gz MIFGVDLMWQYTGB-UHFFFAOYSA-N -1 1 367.247 2.631 20 10 FFCDMM O=C(NCCc1cccnc1)NCc1cccc(Br)c1[O-] ZINC000764762204 737046976 /nfs/dbraw/zinc/04/69/76/737046976.db2.gz OWZBOVNITUWOPN-UHFFFAOYSA-N -1 1 350.216 2.592 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2[nH]c(=O)oc2c1 ZINC000765752678 737153846 /nfs/dbraw/zinc/15/38/46/737153846.db2.gz YSHSXXMNDIPNHX-UHFFFAOYSA-N -1 1 363.167 2.932 20 10 FFCDMM O=C(Cc1ccc([N+](=O)[O-])cc1)NCc1cccc(Br)c1[O-] ZINC000765754832 737154179 /nfs/dbraw/zinc/15/41/79/737154179.db2.gz WWRCVQAZDKSDOF-UHFFFAOYSA-N -1 1 365.183 2.922 20 10 FFCDMM C[C@@H](NCc1nnnn1CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000769983969 737588081 /nfs/dbraw/zinc/58/80/81/737588081.db2.gz BWIJAXNZELXRJG-MRVPVSSYSA-N -1 1 370.226 2.541 20 10 FFCDMM CCc1ccc([C@H](C)NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000920980342 737937960 /nfs/dbraw/zinc/93/79/60/737937960.db2.gz JJYHGQNWTODQQZ-RKPNYOAGSA-N -1 1 359.495 2.683 20 10 FFCDMM COc1c([O-])c(CN[C@H](C)c2nc(C(C)(C)C)no2)ccc1[N+](=O)[O-] ZINC000775113237 738063099 /nfs/dbraw/zinc/06/30/99/738063099.db2.gz VCVDOIYUAIFGEX-SECBINFHSA-N -1 1 350.375 2.840 20 10 FFCDMM O=C(CN(Cc1cccc(Cl)c1[O-])C[C@@H]1CCCO1)N1CCCC1 ZINC000775719474 738117091 /nfs/dbraw/zinc/11/70/91/738117091.db2.gz UOEBZZMPPAOPOE-HNNXBMFYSA-N -1 1 352.862 2.649 20 10 FFCDMM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793360841 739773373 /nfs/dbraw/zinc/77/33/73/739773373.db2.gz AMIMLJMOQKLSGL-INIZCTEOSA-N -1 1 356.806 2.724 20 10 FFCDMM CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793362545 739773911 /nfs/dbraw/zinc/77/39/11/739773911.db2.gz VQXGDJKCGGRWPP-BBRMVZONSA-N -1 1 356.806 2.724 20 10 FFCDMM COc1ccc(CNC(=O)c2cc(Br)ccc2[O-])c(O)c1 ZINC000794388034 739885856 /nfs/dbraw/zinc/88/58/56/739885856.db2.gz MUTWGAKVZRHIKB-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1O ZINC000797820198 740276325 /nfs/dbraw/zinc/27/63/25/740276325.db2.gz LAEOFAVALLXULW-UHFFFAOYSA-N -1 1 358.759 2.763 20 10 FFCDMM COc1c([O-])c(CN2C[C@H](C(F)(F)F)OC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000814175508 741800616 /nfs/dbraw/zinc/80/06/16/741800616.db2.gz JVUKATYIFRTRCE-LLVKDONJSA-N -1 1 364.320 2.851 20 10 FFCDMM C[C@@H]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000852580106 749896069 /nfs/dbraw/zinc/89/60/69/749896069.db2.gz LWIFTLDSGLTSME-ZYHUDNBSSA-N -1 1 357.248 2.912 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(F)c(Cl)c2)c1 ZINC000055161271 845323210 /nfs/dbraw/zinc/32/32/10/845323210.db2.gz ILTSFPJJNGOUEV-UHFFFAOYSA-N -1 1 358.778 2.809 20 10 FFCDMM O=C(Nc1cccnc1)N1CCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279106874 960397415 /nfs/dbraw/zinc/39/74/15/960397415.db2.gz GTWMDXFCDZJWJO-UHFFFAOYSA-N -1 1 360.364 2.558 20 10 FFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487922 973612045 /nfs/dbraw/zinc/61/20/45/973612045.db2.gz AYMSOILJXSAZPO-IRXDYDNUSA-N -1 1 365.433 2.969 20 10 FFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487922 973612053 /nfs/dbraw/zinc/61/20/53/973612053.db2.gz AYMSOILJXSAZPO-IRXDYDNUSA-N -1 1 365.433 2.969 20 10 FFCDMM CC[N@@H+](CC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC001596224844 983615604 /nfs/dbraw/zinc/61/56/04/983615604.db2.gz DROATKQGCFWBJV-UHFFFAOYSA-N -1 1 367.037 2.824 20 10 FFCDMM O=C(COc1cccc(C(F)(F)F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590170 989831513 /nfs/dbraw/zinc/83/15/13/989831513.db2.gz FQWWDHYOGBJFPA-UHFFFAOYSA-N -1 1 370.279 2.922 20 10 FFCDMM COc1ccc(N2CCN(CCc3ccccc3C(=O)[O-])CC2)cc1F ZINC001599585458 993607190 /nfs/dbraw/zinc/60/71/90/993607190.db2.gz BQWOTQFJZBKRJE-UHFFFAOYSA-N -1 1 358.413 2.897 20 10 FFCDMM C[C@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298499 994715255 /nfs/dbraw/zinc/71/52/55/994715255.db2.gz JXFMMHGAEWLGHN-DZGCQCFKSA-N -1 1 371.437 2.530 20 10 FFCDMM C[C@H](Nc1cccc(CN2CCNC(=O)C2)c1)c1cc(F)cc(F)c1[O-] ZINC000812740321 995520438 /nfs/dbraw/zinc/52/04/38/995520438.db2.gz CETCIYAEYIUHFM-LBPRGKRZSA-N -1 1 361.392 2.775 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1[O-] ZINC000846281403 1000252732 /nfs/dbraw/zinc/25/27/32/1000252732.db2.gz XKUPBFXVEBSHJP-HXUWFJFHSA-N -1 1 357.381 2.962 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c1[O-] ZINC000846281403 1000252737 /nfs/dbraw/zinc/25/27/37/1000252737.db2.gz XKUPBFXVEBSHJP-HXUWFJFHSA-N -1 1 357.381 2.962 20 10 FFCDMM COc1ccc(N(C)CCN(C)C(=O)c2c(C)nc(C(C)C)[n-]c2=O)cc1 ZINC000846442813 1000314110 /nfs/dbraw/zinc/31/41/10/1000314110.db2.gz YZGGXNVXZUDVMR-UHFFFAOYSA-N -1 1 372.469 2.831 20 10 FFCDMM O=C(NCCc1cc(O)c(O)cc1O)c1ccc(C(F)(F)F)cc1[O-] ZINC001148799835 1001214476 /nfs/dbraw/zinc/21/44/76/1001214476.db2.gz XKWHMMXJHNRRQZ-UHFFFAOYSA-N -1 1 357.284 2.500 20 10 FFCDMM O=C(CNc1cnc(OCc2ccc(F)cc2)cn1)c1ccc([O-])c(O)c1 ZINC001170320939 1003109890 /nfs/dbraw/zinc/10/98/90/1003109890.db2.gz QMIDFYYNACDOIL-UHFFFAOYSA-N -1 1 369.352 2.901 20 10 FFCDMM O=C(CNC(=O)c1ccc(-n2cccn2)cc1Cl)c1ccc([O-])c(O)c1 ZINC001185972726 1003152232 /nfs/dbraw/zinc/15/22/32/1003152232.db2.gz YKIHTFUWDSMJKR-UHFFFAOYSA-N -1 1 371.780 2.550 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cncc(Br)c1 ZINC001186411497 1003304381 /nfs/dbraw/zinc/30/43/81/1003304381.db2.gz ATESRZRACCPFSD-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM O=C(Nc1cc(-c2ccccc2)nn1CCO)c1ccc(O)c([O-])c1Cl ZINC001193210151 1004403236 /nfs/dbraw/zinc/40/32/36/1004403236.db2.gz VDMRSCURAKXMNV-UHFFFAOYSA-N -1 1 373.796 2.859 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC(C(=O)C(F)(F)F)CC1 ZINC001193225628 1004428229 /nfs/dbraw/zinc/42/82/29/1004428229.db2.gz QBALIFQXCMVHEY-UHFFFAOYSA-N -1 1 351.708 2.735 20 10 FFCDMM CCOc1c(F)cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC001190749222 1007768594 /nfs/dbraw/zinc/76/85/94/1007768594.db2.gz GWBJPSOEHMWRID-UHFFFAOYSA-N -1 1 367.760 2.902 20 10 FFCDMM COC(=O)CCNC(=O)c1ccc(NCc2cccc(Cl)c2[O-])cc1 ZINC001206491636 1032312020 /nfs/dbraw/zinc/31/20/20/1032312020.db2.gz XQVGUXOJEBJAPF-UHFFFAOYSA-N -1 1 362.813 2.951 20 10 FFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC1)CC2 ZINC000901895891 1019566165 /nfs/dbraw/zinc/56/61/65/1019566165.db2.gz YOJWFCDOOLCUOQ-UHFFFAOYSA-N -1 1 372.446 2.801 20 10 FFCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3C[C@H](O)C3)c21 ZINC001218427142 1033151348 /nfs/dbraw/zinc/15/13/48/1033151348.db2.gz SBKJXEZGQDBQGI-ILMHXZGMSA-N -1 1 372.373 2.660 20 10 FFCDMM CCN(CC)c1ccc(CN(C)C(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1 ZINC001123484234 1023824365 /nfs/dbraw/zinc/82/43/65/1023824365.db2.gz ORKQBMNGDQTOCG-UHFFFAOYSA-N -1 1 360.483 2.898 20 10 FFCDMM O=C(CNc1nc2ccccc2nc1N1CCCC1)c1ccc([O-])c(O)c1 ZINC001159279534 1027334602 /nfs/dbraw/zinc/33/46/02/1027334602.db2.gz SFWROUDHWWGIBH-UHFFFAOYSA-N -1 1 364.405 2.936 20 10 FFCDMM COc1cccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)c1 ZINC001159280574 1027335811 /nfs/dbraw/zinc/33/58/11/1027335811.db2.gz YDLMGDXINRLVSU-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1cc2c(cncc2Cl)s1 ZINC001160559140 1027751140 /nfs/dbraw/zinc/75/11/40/1027751140.db2.gz AGSMWVFTQIVXAF-UHFFFAOYSA-N -1 1 361.839 2.946 20 10 FFCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1cc2c(cncc2Cl)s1 ZINC001160559140 1027751158 /nfs/dbraw/zinc/75/11/58/1027751158.db2.gz AGSMWVFTQIVXAF-UHFFFAOYSA-N -1 1 361.839 2.946 20 10 FFCDMM O=C(CNC(=O)c1ccnc2c1ccc1cccnc12)c1ccc([O-])c(O)c1 ZINC001155819580 1028928314 /nfs/dbraw/zinc/92/83/14/1028928314.db2.gz WZKXHODLDHOOHN-UHFFFAOYSA-N -1 1 373.368 2.807 20 10 FFCDMM O=C(CCc1nnc(-c2ccccc2)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782560138 1029745034 /nfs/dbraw/zinc/74/50/34/1029745034.db2.gz GVNOKALJJINUHX-UHFFFAOYSA-N -1 1 368.345 2.507 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001142513076 1030562306 /nfs/dbraw/zinc/56/23/06/1030562306.db2.gz WHWUTMUJYISNEU-YTQUADARSA-N -1 1 362.376 2.876 20 10 FFCDMM O=C1NC2(C[C@H]1c1ccncc1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142517251 1030566231 /nfs/dbraw/zinc/56/62/31/1030566231.db2.gz GPLARDVFHWTGJM-HNNXBMFYSA-N -1 1 373.403 2.704 20 10 FFCDMM Cc1cc(F)ccc1-n1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000784656262 1030739654 /nfs/dbraw/zinc/73/96/54/1030739654.db2.gz CPNFISDXMYSKRB-UHFFFAOYSA-N -1 1 370.336 2.771 20 10 FFCDMM Cc1cc(C)c(N2CC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)c(C)c1 ZINC000830221371 1033520840 /nfs/dbraw/zinc/52/08/40/1033520840.db2.gz QVKJIXBPSKDUQH-AWEZNQCLSA-N -1 1 372.396 2.697 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(Cc3cccc(F)c3[O-])[C@H]2C1 ZINC001138123819 1033801083 /nfs/dbraw/zinc/80/10/83/1033801083.db2.gz NKJXKNVHOOFPAM-HOTGVXAUSA-N -1 1 366.433 2.742 20 10 FFCDMM CCN(CC)c1ccnc([C@@H]2COCCN2Cc2cccc(F)c2[O-])n1 ZINC001138127294 1033808727 /nfs/dbraw/zinc/80/87/27/1033808727.db2.gz WFMGXNNHUJRXQN-INIZCTEOSA-N -1 1 360.433 2.741 20 10 FFCDMM Cc1noc([C@H]2C[C@@H]3CCN(Cc4c(F)ccc(F)c4[O-])C[C@H]3O2)n1 ZINC001139680941 1035196191 /nfs/dbraw/zinc/19/61/91/1035196191.db2.gz GKVBGQDBMYLHRZ-COLVAYQJSA-N -1 1 351.353 2.714 20 10 FFCDMM CN(C)c1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC001139974719 1035294753 /nfs/dbraw/zinc/29/47/53/1035294753.db2.gz LBPWEDKSHJARJU-UHFFFAOYSA-N -1 1 350.216 2.546 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H](C[N+](=O)[O-])C1CC1 ZINC001227581046 1035617564 /nfs/dbraw/zinc/61/75/64/1035617564.db2.gz UNXDOWYKXWUGFQ-OAHLLOKOSA-N -1 1 353.330 2.602 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001233333858 1036541469 /nfs/dbraw/zinc/54/14/69/1036541469.db2.gz KFLYYALDZCDFTQ-UHFFFAOYSA-N -1 1 359.380 2.518 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c(OC[C@H]3CCC=CO3)cc([O-])c(O)c21 ZINC001229196580 1036546700 /nfs/dbraw/zinc/54/67/00/1036546700.db2.gz FUQQYMPFRANXBR-LLVKDONJSA-N -1 1 352.342 2.945 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001233496817 1036661482 /nfs/dbraw/zinc/66/14/82/1036661482.db2.gz JHZUUABNQOYEFI-BZNIZROVSA-N -1 1 352.383 2.570 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C)Cn1c(C)ncc1[N+](=O)[O-] ZINC001233497064 1036661508 /nfs/dbraw/zinc/66/15/08/1036661508.db2.gz MIVUJFYIJQTQNZ-JTQLQIEISA-N -1 1 363.370 2.961 20 10 FFCDMM CCc1c(C)nc2n(c1=O)CCC[C@H]2Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473392 1037051598 /nfs/dbraw/zinc/05/15/98/1037051598.db2.gz FXRQFQRGLVLRSM-MRXNPFEDSA-N -1 1 358.394 2.642 20 10 FFCDMM COC[C@H](C)OC[C@@H](C)OC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473783 1037051940 /nfs/dbraw/zinc/05/19/40/1037051940.db2.gz JZQQDRVXZZTAQM-YNEHKIRRSA-N -1 1 356.415 2.524 20 10 FFCDMM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001231447980 1037585445 /nfs/dbraw/zinc/58/54/45/1037585445.db2.gz ZPDAQVHMNMNPJM-LBPRGKRZSA-N -1 1 350.415 2.532 20 10 FFCDMM O=C([O-])c1ccc(CN2CCN(Cc3c(F)cccc3F)CC2)c(O)c1 ZINC001231453570 1037593906 /nfs/dbraw/zinc/59/39/06/1037593906.db2.gz IPUMFSXAWBWNCW-UHFFFAOYSA-N -1 1 362.376 2.686 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CC[C@H]1F ZINC001231455290 1037597171 /nfs/dbraw/zinc/59/71/71/1037597171.db2.gz MLJZCIIVKRQJNX-ZIAGYGMSSA-N -1 1 368.405 2.528 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1cc(C(=O)[O-])ccc1O ZINC001231560526 1037684049 /nfs/dbraw/zinc/68/40/49/1037684049.db2.gz JNYXVIBDSAJGNE-BETUJISGSA-N -1 1 364.442 2.920 20 10 FFCDMM COc1ccc(N2CCN(Cc3ccc(OC)c(C(=O)[O-])c3)CC2)cc1 ZINC001231749769 1037873482 /nfs/dbraw/zinc/87/34/82/1037873482.db2.gz QGFPERVEWRAJAT-UHFFFAOYSA-N -1 1 356.422 2.724 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(N3C[C@@H](C)O[C@H](C)C3)C2)c1 ZINC001236670631 1038183615 /nfs/dbraw/zinc/18/36/15/1038183615.db2.gz NXMCQHPCMXFRKU-CHWSQXEVSA-N -1 1 369.303 2.757 20 10 FFCDMM COC(=O)CC[C@@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001236671759 1038184838 /nfs/dbraw/zinc/18/48/38/1038184838.db2.gz YDYOBILADWZWMS-CYBMUJFWSA-N -1 1 372.259 2.617 20 10 FFCDMM CC(=O)N1CCC[C@]2(CN(Cc3cc(Cl)c(Cl)cc3[O-])CCO2)C1 ZINC001236794244 1038275340 /nfs/dbraw/zinc/27/53/40/1038275340.db2.gz UUCPFCYKVULDFI-KRWDZBQOSA-N -1 1 373.280 2.912 20 10 FFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001237077885 1038438334 /nfs/dbraw/zinc/43/83/34/1038438334.db2.gz LSLCCOLDPOFZJS-GFCCVEGCSA-N -1 1 360.159 2.825 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCn2cc(Cn3cccn3)nc2C1 ZINC001237122128 1038448967 /nfs/dbraw/zinc/44/89/67/1038448967.db2.gz SBTOCBPSTKMXKP-UHFFFAOYSA-N -1 1 361.808 2.642 20 10 FFCDMM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cc(Cl)c(Cl)s1 ZINC001257514916 1038846204 /nfs/dbraw/zinc/84/62/04/1038846204.db2.gz CGFKVXDTFXJBNX-UHFFFAOYSA-N -1 1 368.263 2.987 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2cc(Br)ccc2N)ccc1O ZINC001209975184 1039316151 /nfs/dbraw/zinc/31/61/51/1039316151.db2.gz JXIJMCFSAMIHMD-UHFFFAOYSA-N -1 1 357.229 2.846 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935195 1043442076 /nfs/dbraw/zinc/44/20/76/1043442076.db2.gz RCFUMVXKQYSJNO-NWDGAFQWSA-N -1 1 374.840 2.645 20 10 FFCDMM CCOC(=O)c1ncn2c1CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237934677 1043442106 /nfs/dbraw/zinc/44/21/06/1043442106.db2.gz MROUMSSKYAWIEX-UHFFFAOYSA-N -1 1 353.781 2.574 20 10 FFCDMM CC(C)OCc1nnc2n1CCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237939197 1043446436 /nfs/dbraw/zinc/44/64/36/1043446436.db2.gz UJDAIRSQWCPSNX-UHFFFAOYSA-N -1 1 354.813 2.717 20 10 FFCDMM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000756334153 1043585076 /nfs/dbraw/zinc/58/50/76/1043585076.db2.gz ZESCDMWBTXEQJM-GOSISDBHSA-N -1 1 362.376 2.717 20 10 FFCDMM CCOCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC001322157712 1045971988 /nfs/dbraw/zinc/97/19/88/1045971988.db2.gz NLFUWFBWHLRVFM-UHFFFAOYSA-N -1 1 364.423 2.553 20 10 FFCDMM O=C(CCc1nc2ccccc2c(=O)[nH]1)NCc1cccc(Cl)c1[O-] ZINC001305069963 1051795257 /nfs/dbraw/zinc/79/52/57/1051795257.db2.gz WHXDXBRVSIVSIQ-UHFFFAOYSA-N -1 1 357.797 2.943 20 10 FFCDMM C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1nc(-c2ccccc2)no1 ZINC001306819593 1052192302 /nfs/dbraw/zinc/19/23/02/1052192302.db2.gz QCULFDFQIYEQJL-JTQLQIEISA-N -1 1 357.341 2.820 20 10 FFCDMM O=C(NC1CC1)[C@@H]1Cc2ccccc2CN1Cc1cc(F)c(F)cc1[O-] ZINC001308831818 1052505976 /nfs/dbraw/zinc/50/59/76/1052505976.db2.gz JIWCDFYFSGUIEM-SFHVURJKSA-N -1 1 358.388 2.876 20 10 FFCDMM CNC(=O)NC[C@@H]1CCCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001460628983 1061038859 /nfs/dbraw/zinc/03/88/59/1061038859.db2.gz SVOZBVWRPOLUAJ-AWEZNQCLSA-N -1 1 353.850 2.532 20 10 FFCDMM COC(=O)c1c(C)cccc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001475774221 1061265842 /nfs/dbraw/zinc/26/58/42/1061265842.db2.gz VUGJLHHYAHSQCP-UHFFFAOYSA-N -1 1 369.826 2.619 20 10 FFCDMM NC(=O)COc1ccc(NCc2cc(Br)cc(F)c2[O-])cc1 ZINC001473946530 1065425859 /nfs/dbraw/zinc/42/58/59/1065425859.db2.gz KOJOWFMVWFLJDH-UHFFFAOYSA-N -1 1 369.190 2.770 20 10 FFCDMM C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])C[C@@H]1O ZINC001561021371 1076320904 /nfs/dbraw/zinc/32/09/04/1076320904.db2.gz JXWYRFJVYXHDAG-HQJQHLMTSA-N -1 1 365.065 2.730 20 10 FFCDMM CO[C@H](C)c1noc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2[O-])n1 ZINC000267374246 509467270 /nfs/dbraw/zinc/46/72/70/509467270.db2.gz LBUWKMFLGBWFCW-SNVBAGLBSA-N -1 1 353.806 2.971 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)c[nH]1 ZINC000268001225 509710700 /nfs/dbraw/zinc/71/07/00/509710700.db2.gz NOJWAAVJIPSBSJ-UHFFFAOYSA-N -1 1 352.412 2.740 20 10 FFCDMM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c(F)ccc(O)c2[O-])c(C)c1 ZINC000276522696 510940454 /nfs/dbraw/zinc/94/04/54/510940454.db2.gz CVFLNGHAFRXZBF-UHFFFAOYSA-N -1 1 360.385 2.873 20 10 FFCDMM C[C@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277390101 510961435 /nfs/dbraw/zinc/96/14/35/510961435.db2.gz IZHOCZKMIYQNFY-QWRGUYRKSA-N -1 1 357.248 2.769 20 10 FFCDMM COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cc(C)cc(C)c1 ZINC000278403252 510992727 /nfs/dbraw/zinc/99/27/27/510992727.db2.gz OMJRIPIQSMYGNJ-INIZCTEOSA-N -1 1 374.393 2.930 20 10 FFCDMM COCCO[C@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750717 511006165 /nfs/dbraw/zinc/00/61/65/511006165.db2.gz SDXWIMXZGJCXSU-RISCZKNCSA-N -1 1 364.269 2.545 20 10 FFCDMM CN(C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1)C(=O)OC(C)(C)C ZINC000294785054 511176673 /nfs/dbraw/zinc/17/66/73/511176673.db2.gz CXPULURJQPDNLW-NSHDSACASA-N -1 1 368.405 2.566 20 10 FFCDMM CO[C@](C)(CNC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000291468237 511209369 /nfs/dbraw/zinc/20/93/69/511209369.db2.gz JVZPSYIKZMVBJK-OAHLLOKOSA-N -1 1 357.248 2.769 20 10 FFCDMM C[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC2(CCOCC2)O1 ZINC000280382496 511445160 /nfs/dbraw/zinc/44/51/60/511445160.db2.gz FNMLGAZPONQTCZ-NSHDSACASA-N -1 1 356.806 2.724 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296572226 511802465 /nfs/dbraw/zinc/80/24/65/511802465.db2.gz DGAQSQKNZBDIGB-ZYHUDNBSSA-N -1 1 368.405 2.612 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1c1cccnc1 ZINC000823504478 606389627 /nfs/dbraw/zinc/38/96/27/606389627.db2.gz QQIPVWJVWCNTGK-IZZDOVSWSA-N -1 1 372.460 2.729 20 10 FFCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nnn[n-]2)s1 ZINC000823253447 606538729 /nfs/dbraw/zinc/53/87/29/606538729.db2.gz INGJPMBNASVEML-UHFFFAOYSA-N -1 1 368.466 2.849 20 10 FFCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc(-c2nn[n-]n2)s1 ZINC000823253447 606538730 /nfs/dbraw/zinc/53/87/30/606538730.db2.gz INGJPMBNASVEML-UHFFFAOYSA-N -1 1 368.466 2.849 20 10 FFCDMM COc1ccc(N2CCC(Nc3nc(-c4nn[n-]n4)ccc3C)CC2)cc1 ZINC000826209110 608544375 /nfs/dbraw/zinc/54/43/75/608544375.db2.gz NCAOBPSOCNGSGV-UHFFFAOYSA-N -1 1 365.441 2.660 20 10 FFCDMM O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1cc(-c2ccccc2)ns1 ZINC000746213093 735470577 /nfs/dbraw/zinc/47/05/77/735470577.db2.gz ONHCSYMATDKXHC-UHFFFAOYSA-N -1 1 353.432 2.806 20 10 FFCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1cc(-c2ccccc2)ns1 ZINC000746213093 735470579 /nfs/dbraw/zinc/47/05/79/735470579.db2.gz ONHCSYMATDKXHC-UHFFFAOYSA-N -1 1 353.432 2.806 20 10 FFCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)s1 ZINC000066000324 728164604 /nfs/dbraw/zinc/16/46/04/728164604.db2.gz AFUUPDIAXWKMAS-UHFFFAOYSA-N -1 1 367.452 2.735 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@H]2c2ccccc2)c1[O-] ZINC000177261976 729133005 /nfs/dbraw/zinc/13/30/05/729133005.db2.gz CBYGXYNOYIPIOC-QGZVFWFLSA-N -1 1 358.825 2.921 20 10 FFCDMM O=C1N[C@@H](c2cccc(Cl)c2[O-])Nc2ccc(N3CCOCC3)cc21 ZINC000193508620 729481286 /nfs/dbraw/zinc/48/12/86/729481286.db2.gz QLQRMKLNSMIALM-KRWDZBQOSA-N -1 1 359.813 2.736 20 10 FFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c([N+](=O)[O-])c1 ZINC000321042566 729751956 /nfs/dbraw/zinc/75/19/56/729751956.db2.gz WNCJWWASOWXHMO-UHFFFAOYSA-N -1 1 358.759 2.763 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1cc(C)c(OC)cc1C ZINC000779459650 738466330 /nfs/dbraw/zinc/46/63/30/738466330.db2.gz FUCSAFHVEGZREI-UHFFFAOYSA-N -1 1 365.407 2.605 20 10 FFCDMM CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2c(O)cccc2Br)C1 ZINC000862237438 730679665 /nfs/dbraw/zinc/67/96/65/730679665.db2.gz PGTUNQGKXXXGEH-GFCCVEGCSA-N -1 1 355.276 2.891 20 10 FFCDMM CO[C@@H]1CCOc2c(NS(=O)(=O)c3cc(F)cc(F)c3[O-])cccc21 ZINC000872368146 731757601 /nfs/dbraw/zinc/75/76/01/731757601.db2.gz CWMFYENMYMGHQB-CYBMUJFWSA-N -1 1 371.361 2.941 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000873145095 731880931 /nfs/dbraw/zinc/88/09/31/731880931.db2.gz ILHYJBPNYXMKOR-JKOKRWQUSA-N -1 1 369.259 2.912 20 10 FFCDMM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(C)cc(Br)c1[O-] ZINC000781906736 738670147 /nfs/dbraw/zinc/67/01/47/738670147.db2.gz BELNLOPFZMLRGT-CQSZACIVSA-N -1 1 374.275 2.862 20 10 FFCDMM COC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000782258956 738703439 /nfs/dbraw/zinc/70/34/39/738703439.db2.gz QATUGFZTVYMLKZ-UHFFFAOYSA-N -1 1 359.762 2.772 20 10 FFCDMM C[C@@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782470451 738724644 /nfs/dbraw/zinc/72/46/44/738724644.db2.gz QOCYFXSRMILRJS-SNVBAGLBSA-N -1 1 350.754 2.945 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000890761066 734337335 /nfs/dbraw/zinc/33/73/35/734337335.db2.gz JVFPEJJIEUHWET-GHMZBOCLSA-N -1 1 367.751 2.646 20 10 FFCDMM CO[C@H](C)c1nc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000784001720 738854304 /nfs/dbraw/zinc/85/43/04/738854304.db2.gz PRKQPYPWFAQCDU-SECBINFHSA-N -1 1 351.380 2.610 20 10 FFCDMM CC(C)O[C@@]1(CS(=O)(=O)Nc2cc(F)c([O-])cc2Cl)CCOC1 ZINC000901962388 735879638 /nfs/dbraw/zinc/87/96/38/735879638.db2.gz GQKDRXKIEABDDT-AWEZNQCLSA-N -1 1 367.826 2.511 20 10 FFCDMM COCCc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000908328780 736758783 /nfs/dbraw/zinc/75/87/83/736758783.db2.gz MUTPFGHKJUXORL-UHFFFAOYSA-N -1 1 355.843 2.713 20 10 FFCDMM COc1cccc([C@H](O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766828 737156393 /nfs/dbraw/zinc/15/63/93/737156393.db2.gz CJUSKRGSZVKIMY-HNNXBMFYSA-N -1 1 366.211 2.513 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@H](C)c2cccc(Cl)c2)C(=O)[N-]C1=S ZINC000920980365 737937890 /nfs/dbraw/zinc/93/78/90/737937890.db2.gz KSMDGRFSPWLAMM-GYBQTFJISA-N -1 1 365.886 2.774 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc(OC)cc1C ZINC000775286775 738078470 /nfs/dbraw/zinc/07/84/70/738078470.db2.gz NSOPIVORCROVJP-UHFFFAOYSA-N -1 1 365.407 2.605 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc(F)c1F ZINC000776747456 738229025 /nfs/dbraw/zinc/22/90/25/738229025.db2.gz DZYFNJGKOVEXBT-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM COc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1O ZINC000778005066 738341154 /nfs/dbraw/zinc/34/11/54/738341154.db2.gz LMIOEXKKJNIVHE-UHFFFAOYSA-N -1 1 363.222 2.581 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@H](c2ccc(F)c(F)c2)C1 ZINC000789971727 739400838 /nfs/dbraw/zinc/40/08/38/739400838.db2.gz TUOVONGWTIGHIN-AWEZNQCLSA-N -1 1 353.296 2.729 20 10 FFCDMM CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)cc(F)c1[O-] ZINC000792177899 739647134 /nfs/dbraw/zinc/64/71/34/739647134.db2.gz WXRZIUCJHPFKIB-UHFFFAOYSA-N -1 1 370.833 2.656 20 10 FFCDMM O=C(Cc1ccc2n[nH]cc2c1)NCc1cccc(Br)c1[O-] ZINC000793971530 739832518 /nfs/dbraw/zinc/83/25/18/739832518.db2.gz SYFBMEISHLLUNP-UHFFFAOYSA-N -1 1 360.211 2.890 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(C)c1 ZINC000795354257 740009160 /nfs/dbraw/zinc/00/91/60/740009160.db2.gz TVXBSTCCDTUCCF-UHFFFAOYSA-N -1 1 351.380 2.598 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nccnc3C)CC2)c1[O-] ZINC000799327303 740409056 /nfs/dbraw/zinc/40/90/56/740409056.db2.gz RLSZILHBRMRVQX-UHFFFAOYSA-N -1 1 360.845 2.669 20 10 FFCDMM COc1ccc(CNS(C)(=O)=O)cc1NCc1cccc(Cl)c1[O-] ZINC000824936350 743181999 /nfs/dbraw/zinc/18/19/99/743181999.db2.gz XCDQKIVSWOSAJQ-UHFFFAOYSA-N -1 1 370.858 2.716 20 10 FFCDMM C[C@@H]1CC[N@@H+](Cc2cccc(Cl)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC000827850259 744989870 /nfs/dbraw/zinc/98/98/70/744989870.db2.gz MRBLFWHZAHQZOJ-SKDRFNHKSA-N -1 1 350.768 2.935 20 10 FFCDMM COC1([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000840457313 747098109 /nfs/dbraw/zinc/09/81/09/747098109.db2.gz OKMAUQQEXYVPIR-SNVBAGLBSA-N -1 1 357.248 2.912 20 10 FFCDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3sccc3Cl)C2)cc1 ZINC000849417338 749143445 /nfs/dbraw/zinc/14/34/45/749143445.db2.gz PIAFBLULWNCWIX-NSHDSACASA-N -1 1 372.899 2.967 20 10 FFCDMM CCCOc1cc(OC)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784903287 958896786 /nfs/dbraw/zinc/89/67/86/958896786.db2.gz DEOYEJKAUXEBTQ-UHFFFAOYSA-N -1 1 360.362 2.935 20 10 FFCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OC(C)C)c1 ZINC000784907305 958931075 /nfs/dbraw/zinc/93/10/75/958931075.db2.gz YPDDNXHNQMHDDJ-UHFFFAOYSA-N -1 1 360.362 2.933 20 10 FFCDMM Nc1ccc(F)cc1S(=O)(=O)[N-]c1ccc(O)c(C(F)(F)F)c1 ZINC001209987961 960505705 /nfs/dbraw/zinc/50/57/05/960505705.db2.gz VZDYOWKEVVRXEJ-UHFFFAOYSA-N -1 1 350.293 2.933 20 10 FFCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000151316083 965832865 /nfs/dbraw/zinc/83/28/65/965832865.db2.gz JUNLVJFNOUDIGZ-NRFANRHFSA-N -1 1 353.418 2.941 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000151316083 965832875 /nfs/dbraw/zinc/83/28/75/965832875.db2.gz JUNLVJFNOUDIGZ-NRFANRHFSA-N -1 1 353.418 2.941 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000151316083 965832880 /nfs/dbraw/zinc/83/28/80/965832880.db2.gz JUNLVJFNOUDIGZ-NRFANRHFSA-N -1 1 353.418 2.941 20 10 FFCDMM C[S@@](=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001599778721 992337800 /nfs/dbraw/zinc/33/78/00/992337800.db2.gz QIMBXBJFIUBXTH-XMMPIXPASA-N -1 1 367.854 2.870 20 10 FFCDMM C[S@@](=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001599778721 992337807 /nfs/dbraw/zinc/33/78/07/992337807.db2.gz QIMBXBJFIUBXTH-XMMPIXPASA-N -1 1 367.854 2.870 20 10 FFCDMM CC(C)OCCO[N-]C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000812803265 995542090 /nfs/dbraw/zinc/54/20/90/995542090.db2.gz ZWYYGRMRWADKNL-UHFFFAOYSA-N -1 1 373.497 2.881 20 10 FFCDMM COC(=O)c1c(CN2CCC3(C[C@@H]3C(=O)[O-])CC2)c2cc(F)ccc2n1C ZINC001598910529 997360662 /nfs/dbraw/zinc/36/06/62/997360662.db2.gz KEJWUUUUZUOFEL-OAHLLOKOSA-N -1 1 374.412 2.791 20 10 FFCDMM CCCCNC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000825460774 997386912 /nfs/dbraw/zinc/38/69/12/997386912.db2.gz IXPYTWXPLOXZCV-UHFFFAOYSA-N -1 1 360.385 2.697 20 10 FFCDMM [O-]c1cc(F)c(Br)cc1CN1CCC[C@@H](n2cncn2)C1 ZINC001144306878 998301417 /nfs/dbraw/zinc/30/14/17/998301417.db2.gz VGVRPFDZRHXPIR-LLVKDONJSA-N -1 1 355.211 2.722 20 10 FFCDMM [O-]c1cc(F)c(Br)cc1CN1CC[C@@H](Oc2ncccn2)C1 ZINC001144308840 998307426 /nfs/dbraw/zinc/30/74/26/998307426.db2.gz ZMPASAOLUZALPW-LLVKDONJSA-N -1 1 368.206 2.737 20 10 FFCDMM CCCN1C(=O)C2(CCCCC2)N[C@@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772178851 1001312303 /nfs/dbraw/zinc/31/23/03/1001312303.db2.gz QUJIUWHZGNSAIW-INIZCTEOSA-N -1 1 363.414 2.852 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(N2CCOC2=O)c1 ZINC000789963841 1002240665 /nfs/dbraw/zinc/24/06/65/1002240665.db2.gz HCJMONQLPGWBHA-SNVBAGLBSA-N -1 1 360.341 2.685 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(C)C[C@H]3CC3(C)C)cc12 ZINC001184359346 1002566451 /nfs/dbraw/zinc/56/64/51/1002566451.db2.gz NQNWJVRNCRZOSE-OAHLLOKOSA-N -1 1 372.465 2.743 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3ccccc3O)cc12 ZINC001184359827 1002566986 /nfs/dbraw/zinc/56/69/86/1002566986.db2.gz BCGQECYPMSOOGX-UHFFFAOYSA-N -1 1 368.389 2.583 20 10 FFCDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(C(F)(F)F)c1 ZINC001170317055 1003105993 /nfs/dbraw/zinc/10/59/93/1003105993.db2.gz XDKHXGZJPFNOAX-UHFFFAOYSA-N -1 1 370.283 2.593 20 10 FFCDMM COc1cc(Br)cc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170322965 1003111205 /nfs/dbraw/zinc/11/12/05/1003111205.db2.gz QAKVPYAIGCIAHD-UHFFFAOYSA-N -1 1 353.172 2.559 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1cccc(Br)n1 ZINC001196314238 1003732089 /nfs/dbraw/zinc/73/20/89/1003732089.db2.gz GNJWWYBSUKQFOU-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccc2c(c1)CCC2 ZINC000805605890 1004057336 /nfs/dbraw/zinc/05/73/36/1004057336.db2.gz POOIIWOLHXPNEP-UHFFFAOYSA-N -1 1 364.405 2.741 20 10 FFCDMM C[C@@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1nn[n-]n1 ZINC000867222646 1004058009 /nfs/dbraw/zinc/05/80/09/1004058009.db2.gz KPCYHMUTFOZVSW-AWEZNQCLSA-N -1 1 351.410 2.628 20 10 FFCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)c(F)c2)c(Cl)cc1F ZINC001194002409 1004628258 /nfs/dbraw/zinc/62/82/58/1004628258.db2.gz VPAYAPJYVDXIBS-UHFFFAOYSA-N -1 1 363.725 2.823 20 10 FFCDMM O=C(CNC(=O)c1cc(-c2ccccc2)cnc1F)c1ccc([O-])c(O)c1 ZINC001199732118 1005015114 /nfs/dbraw/zinc/01/51/14/1005015114.db2.gz WUWQECLDTRMDCC-UHFFFAOYSA-N -1 1 366.348 2.912 20 10 FFCDMM CNS(=O)(=O)c1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1F ZINC001178909016 1009190211 /nfs/dbraw/zinc/19/02/11/1009190211.db2.gz QIKVKBIJKPEVJS-UHFFFAOYSA-N -1 1 362.785 2.844 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCS(=O)(=O)c2ccccc21 ZINC001180409612 1009684469 /nfs/dbraw/zinc/68/44/69/1009684469.db2.gz FGWFNHITHBDJIJ-CYBMUJFWSA-N -1 1 365.838 2.623 20 10 FFCDMM CC(C)(C)CC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180411422 1009685928 /nfs/dbraw/zinc/68/59/28/1009685928.db2.gz YPTQEUFAENGOOU-CYBMUJFWSA-N -1 1 370.902 3.000 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCSC[C@H]2c2nn[n-]n2)cc1 ZINC000773158571 1010079227 /nfs/dbraw/zinc/07/92/27/1010079227.db2.gz APRMZBNPXOHYLW-INIZCTEOSA-N -1 1 368.466 2.538 20 10 FFCDMM COc1c([O-])c(CN(C)[C@@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001182237609 1010460083 /nfs/dbraw/zinc/46/00/83/1010460083.db2.gz DYMPWUWPHCQZEQ-OAHLLOKOSA-N -1 1 369.381 2.649 20 10 FFCDMM CC[C@H](C)N1CC[C@@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274705912 1011603669 /nfs/dbraw/zinc/60/36/69/1011603669.db2.gz HTDQFTIOUFAZRJ-VOJFVSQTSA-N -1 1 366.845 2.757 20 10 FFCDMM CN(C)[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])COc2ccccc2C1 ZINC001159041598 1027242571 /nfs/dbraw/zinc/24/25/71/1027242571.db2.gz UABVBJVYRSVBCN-LJQANCHMSA-N -1 1 360.841 2.597 20 10 FFCDMM O=C(CNC(F)(F)c1ccc([N+](=O)[O-])c(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159276832 1027333572 /nfs/dbraw/zinc/33/35/72/1027333572.db2.gz NCHPQZXJIPWNJQ-UHFFFAOYSA-N -1 1 373.699 2.576 20 10 FFCDMM CCCN(CCC)C(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001160860758 1027902842 /nfs/dbraw/zinc/90/28/42/1027902842.db2.gz CBLOHQWRLQFWNY-UHFFFAOYSA-N -1 1 360.454 2.887 20 10 FFCDMM Cc1cccnc1[C@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)C1CC1 ZINC001155234020 1028640599 /nfs/dbraw/zinc/64/05/99/1028640599.db2.gz IYAJJAIVNAIHGA-GOSISDBHSA-N -1 1 366.373 2.789 20 10 FFCDMM CC(=O)N1CCO[C@@H]2C[N@@H+](Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]2C1 ZINC001203575541 1030770270 /nfs/dbraw/zinc/77/02/70/1030770270.db2.gz QXTJOTSWVDCMDL-MLGOLLRUSA-N -1 1 373.280 2.768 20 10 FFCDMM CC(=O)N1CCO[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])CC[C@@H]2C1 ZINC001203575541 1030770287 /nfs/dbraw/zinc/77/02/87/1030770287.db2.gz QXTJOTSWVDCMDL-MLGOLLRUSA-N -1 1 373.280 2.768 20 10 FFCDMM CCN(CC(=O)NCc1ccc(F)cc1)Cc1ccc(F)c(F)c1[O-] ZINC001204220602 1031171143 /nfs/dbraw/zinc/17/11/43/1031171143.db2.gz HIYSEHAHJNIZAY-UHFFFAOYSA-N -1 1 352.356 2.948 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2nccs2)CC1 ZINC001139126271 1034956855 /nfs/dbraw/zinc/95/68/55/1034956855.db2.gz DDXYJEDRYAHOHB-UHFFFAOYSA-N -1 1 357.435 2.586 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)c([O-])cc1O)[C@H]2C ZINC001232263122 1035535119 /nfs/dbraw/zinc/53/51/19/1035535119.db2.gz HPLSOMBZHIZTJR-JTQLQIEISA-N -1 1 365.817 2.701 20 10 FFCDMM COC(=O)C1(C)CC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227578113 1035614600 /nfs/dbraw/zinc/61/46/00/1035614600.db2.gz QSYMKVWUVPCUCQ-UHFFFAOYSA-N -1 1 366.369 2.888 20 10 FFCDMM COC[C@@H](C)OC[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578401 1035616279 /nfs/dbraw/zinc/61/62/79/1035616279.db2.gz SXVMAKOSLYRABE-OLZOCXBDSA-N -1 1 370.401 2.986 20 10 FFCDMM COc1cc(O[C@H]2CCC[N@@H+](C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227656805 1035659949 /nfs/dbraw/zinc/65/99/49/1035659949.db2.gz DCEXELPBTSFIKF-NSHDSACASA-N -1 1 371.389 2.839 20 10 FFCDMM COc1cc(O[C@H]2CCCN(C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227656805 1035659950 /nfs/dbraw/zinc/65/99/50/1035659950.db2.gz DCEXELPBTSFIKF-NSHDSACASA-N -1 1 371.389 2.839 20 10 FFCDMM C=CC(=O)OC[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228116210 1035941080 /nfs/dbraw/zinc/94/10/80/1035941080.db2.gz VRUKISXSZWDEMP-NSHDSACASA-N -1 1 358.346 2.531 20 10 FFCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3CCO3)c21 ZINC001228193737 1035984926 /nfs/dbraw/zinc/98/49/26/1035984926.db2.gz MLJWUTVGXZEXIF-MLGOLLRUSA-N -1 1 358.346 2.678 20 10 FFCDMM O=C(c1ccccc1F)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334367 1036541306 /nfs/dbraw/zinc/54/13/06/1036541306.db2.gz CWMBNAGWKRNNKS-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c(O[C@H]3CCn4ccnc43)cc([O-])c(O)c21 ZINC001229196983 1036547308 /nfs/dbraw/zinc/54/73/08/1036547308.db2.gz KQWSSZCSAYCZPN-ZDUSSCGKSA-N -1 1 362.341 2.594 20 10 FFCDMM CC[C@@H](CC(=O)OC)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229198252 1036548518 /nfs/dbraw/zinc/54/85/18/1036548518.db2.gz YXYIPBLCMVXINY-JTQLQIEISA-N -1 1 370.357 2.594 20 10 FFCDMM CC(C)OCc1nnc2n1CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416950 1036611711 /nfs/dbraw/zinc/61/17/11/1036611711.db2.gz CMNYCIZAOGFRHY-UHFFFAOYSA-N -1 1 370.375 2.943 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229786110 1036892911 /nfs/dbraw/zinc/89/29/11/1036892911.db2.gz MHIKHCCFISTNDU-YNHOBRIKSA-N -1 1 370.357 2.789 20 10 FFCDMM CC[C@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001277830242 1036911487 /nfs/dbraw/zinc/91/14/87/1036911487.db2.gz OFQYFZOUQFYWCD-NSHDSACASA-N -1 1 373.280 2.911 20 10 FFCDMM C=CC(=O)OC[C@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229828975 1036922397 /nfs/dbraw/zinc/92/23/97/1036922397.db2.gz KFQZOMBCHBVPMD-NSHDSACASA-N -1 1 366.369 2.973 20 10 FFCDMM O=C1OCCC12CCN(Cc1cc(F)cc(Br)c1[O-])CC2 ZINC001235305712 1037463895 /nfs/dbraw/zinc/46/38/95/1037463895.db2.gz PQHFZBCQMBUWPL-UHFFFAOYSA-N -1 1 358.207 2.823 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1cc(C(=O)[O-])ccc1O ZINC001231562708 1037687870 /nfs/dbraw/zinc/68/78/70/1037687870.db2.gz KTRJBXXGKJFDQL-LSDHHAIUSA-N -1 1 362.426 2.674 20 10 FFCDMM CC[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CCN1C(=O)OC(C)(C)C ZINC001231565035 1037688801 /nfs/dbraw/zinc/68/88/01/1037688801.db2.gz OADWGBRJGMULMV-HNNXBMFYSA-N -1 1 364.442 2.922 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231909812 1038004403 /nfs/dbraw/zinc/00/44/03/1038004403.db2.gz QCCGGTCUHNXZJD-CHWSQXEVSA-N -1 1 356.850 2.506 20 10 FFCDMM CCCCN1C(=O)COCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001277992787 1038170700 /nfs/dbraw/zinc/17/07/00/1038170700.db2.gz OEARLKHZPMJJAP-UHFFFAOYSA-N -1 1 373.280 2.912 20 10 FFCDMM COc1ccc(N2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)nc1 ZINC001236810877 1038285917 /nfs/dbraw/zinc/28/59/17/1038285917.db2.gz ZSFIFBJLRXDNGF-UHFFFAOYSA-N -1 1 363.845 2.780 20 10 FFCDMM CC(=O)N1CCC[C@@]2(CN(Cc3c([O-])ccc(Cl)c3Cl)CCO2)C1 ZINC001237082444 1038438808 /nfs/dbraw/zinc/43/88/08/1038438808.db2.gz ZTUVAIMWHWUDTN-QGZVFWFLSA-N -1 1 373.280 2.912 20 10 FFCDMM CC(C)NC(=O)c1noc2c1CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237123251 1038450735 /nfs/dbraw/zinc/45/07/35/1038450735.db2.gz AOKUDZBJQJCGON-UHFFFAOYSA-N -1 1 367.808 2.869 20 10 FFCDMM COCCOCN1CCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001279676697 1043448746 /nfs/dbraw/zinc/44/87/46/1043448746.db2.gz MRIBMGZTRZEHQB-UHFFFAOYSA-N -1 1 361.269 2.580 20 10 FFCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)N1CCc2ccccc21 ZINC000848871839 1055276665 /nfs/dbraw/zinc/27/66/65/1055276665.db2.gz ROEARQGHUOCSNA-ZDUSSCGKSA-N -1 1 355.390 2.665 20 10 FFCDMM CC(C)c1ncsc1NC(=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001338714658 1055753482 /nfs/dbraw/zinc/75/34/82/1055753482.db2.gz ZIEUNHDEZVLUPP-UHFFFAOYSA-N -1 1 353.831 2.880 20 10 FFCDMM C[C@@](O)(C(=O)NCc1cccc(Br)c1[O-])c1ccccc1 ZINC001448968239 1058845255 /nfs/dbraw/zinc/84/52/55/1058845255.db2.gz VBAOJEHRJWWDIM-INIZCTEOSA-N -1 1 350.212 2.679 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)cc1 ZINC000763235904 1061216108 /nfs/dbraw/zinc/21/61/08/1061216108.db2.gz TXOLOMSNBPCSOJ-INIZCTEOSA-N -1 1 350.426 2.627 20 10 FFCDMM C[C@@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000763410382 1061246085 /nfs/dbraw/zinc/24/60/85/1061246085.db2.gz KJTAXDCIXFUHNS-CQSZACIVSA-N -1 1 357.410 2.988 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccncc1Br ZINC001562516998 1076500709 /nfs/dbraw/zinc/50/07/09/1076500709.db2.gz KOFXNERYLCSKAJ-UHFFFAOYSA-N -1 1 356.607 2.947 20 10 FFCDMM Cc1nccn1-c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001563697525 1076576144 /nfs/dbraw/zinc/57/61/44/1076576144.db2.gz BCXMHGDCUHSIFM-UHFFFAOYSA-N -1 1 371.828 2.934 20 10 FFCDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001589270347 1080456500 /nfs/dbraw/zinc/45/65/00/1080456500.db2.gz KUJFWJRRQPYGLH-UHFFFAOYSA-N -1 1 369.782 2.747 20 10 FFCDMM Cn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C1CC1 ZINC000277385661 510961474 /nfs/dbraw/zinc/96/14/74/510961474.db2.gz ADMACUMGSYHYIZ-UHFFFAOYSA-N -1 1 350.216 2.696 20 10 FFCDMM CC1(CNC(=O)NCc2cccc(Br)c2[O-])CCOCC1 ZINC000277506716 510964790 /nfs/dbraw/zinc/96/47/90/510964790.db2.gz RNXLZXYIKXOYNC-UHFFFAOYSA-N -1 1 357.248 2.771 20 10 FFCDMM Cc1n[nH]c(C)c1[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277660795 510969193 /nfs/dbraw/zinc/96/91/93/510969193.db2.gz ZXXYLRLKRSGPCG-MRVPVSSYSA-N -1 1 352.232 2.915 20 10 FFCDMM CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000295257450 511339932 /nfs/dbraw/zinc/33/99/32/511339932.db2.gz NFRASBHVFUVCEJ-NSHDSACASA-N -1 1 368.405 2.614 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1 ZINC000281228144 511766729 /nfs/dbraw/zinc/76/67/29/511766729.db2.gz CCMLUSSDIBSNMF-MRVPVSSYSA-N -1 1 359.354 2.717 20 10 FFCDMM CCOc1ccc(N(C)CC(=O)Nc2oc(C)c(C)c2-c2nn[n-]n2)cc1 ZINC000821422494 607452551 /nfs/dbraw/zinc/45/25/51/607452551.db2.gz XJKKMIMWFKFXSG-UHFFFAOYSA-N -1 1 370.413 2.550 20 10 FFCDMM COc1ccc(N2CCN([C@@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1F ZINC000832384042 601551646 /nfs/dbraw/zinc/55/16/46/601551646.db2.gz QRPZUFXRYOHRAO-GOSISDBHSA-N -1 1 362.376 2.921 20 10 FFCDMM CCN1CCN(Cc2cc(C)cc(Br)c2[O-])C(C)(C)C1=O ZINC000779198180 738442930 /nfs/dbraw/zinc/44/29/30/738442930.db2.gz APROHQMBWQIYID-UHFFFAOYSA-N -1 1 355.276 2.906 20 10 FFCDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(C(F)F)o3)C2)cc1 ZINC000867496469 731191897 /nfs/dbraw/zinc/19/18/97/731191897.db2.gz CYTSKDRSTNWLPM-NSHDSACASA-N -1 1 372.393 2.783 20 10 FFCDMM COc1cc(Cl)cc(CN2CC[C@](C)([N-]C(=O)C(F)(F)F)C2)c1O ZINC000877774993 732427434 /nfs/dbraw/zinc/42/74/34/732427434.db2.gz IERSZHZGVQIENR-AWEZNQCLSA-N -1 1 366.767 2.697 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(=O)N[C@@H]3CCCC[C@@H]32)c1 ZINC000781905949 738670182 /nfs/dbraw/zinc/67/01/82/738670182.db2.gz SAOASAZFNNVESE-KGLIPLIRSA-N -1 1 353.260 2.706 20 10 FFCDMM CC(C)c1ncc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000783266765 738796653 /nfs/dbraw/zinc/79/66/53/738796653.db2.gz WFNWRCLWDZIKIS-UHFFFAOYSA-N -1 1 350.758 2.704 20 10 FFCDMM CC(=O)N[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])c1cccs1 ZINC000890757747 734336311 /nfs/dbraw/zinc/33/63/11/734336311.db2.gz KITUPUALRUNTCG-ZDUSSCGKSA-N -1 1 352.843 2.991 20 10 FFCDMM CC(C)(C)OC(=O)[C@]1(C(=O)NCc2cccc(Cl)c2[O-])CCCO1 ZINC000890761808 734337148 /nfs/dbraw/zinc/33/71/48/734337148.db2.gz YSGNQVONWKYXTJ-QGZVFWFLSA-N -1 1 355.818 2.553 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCN(CC(F)(F)F)C1 ZINC000891979970 734503217 /nfs/dbraw/zinc/50/32/17/734503217.db2.gz YIVSDSZBZMYNJC-JTQLQIEISA-N -1 1 365.783 2.729 20 10 FFCDMM C[C@@H]1CN(c2ccc(C[N-]C(=O)C(F)(F)C(F)F)cc2F)C[C@@H](C)O1 ZINC000749354763 735716696 /nfs/dbraw/zinc/71/66/96/735716696.db2.gz XGTKDZVODKQPAV-NXEZZACHSA-N -1 1 366.330 2.956 20 10 FFCDMM O=S(=O)(Nc1cc(F)c([O-])cc1Cl)c1ccnn1CC1CCC1 ZINC000901962364 735879831 /nfs/dbraw/zinc/87/98/31/735879831.db2.gz FLCHSOFDAYVCJV-UHFFFAOYSA-N -1 1 359.810 2.982 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2n[nH]cc2Br)c1 ZINC000756583761 736345148 /nfs/dbraw/zinc/34/51/48/736345148.db2.gz BGQPUESOKKLYAF-MRVPVSSYSA-N -1 1 354.204 2.515 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cc3cccc(F)c3)no2)c1 ZINC000761329240 736723609 /nfs/dbraw/zinc/72/36/09/736723609.db2.gz FFTRADWHFFHSTL-UHFFFAOYSA-N -1 1 363.370 2.544 20 10 FFCDMM CN1CCc2c(cccc2S(=O)(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000908329575 736758857 /nfs/dbraw/zinc/75/88/57/736758857.db2.gz RVQBOMKPOWMETG-UHFFFAOYSA-N -1 1 366.870 2.512 20 10 FFCDMM CO[C@@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764807863 737051924 /nfs/dbraw/zinc/05/19/24/737051924.db2.gz WNDXXURQMPWAKD-ZWNOBZJWSA-N -1 1 357.248 2.769 20 10 FFCDMM O=C(Cc1ccccc1CO)NCc1cccc(Br)c1[O-] ZINC000765757006 737154850 /nfs/dbraw/zinc/15/48/50/737154850.db2.gz POOYYAZEAZXZAH-UHFFFAOYSA-N -1 1 350.212 2.506 20 10 FFCDMM Cc1cccc(Oc2ccccc2NC=C2C(=O)[N-]C(=S)NC2=O)c1 ZINC000920978709 737937367 /nfs/dbraw/zinc/93/73/67/737937367.db2.gz FZQCABNVHGUCHB-UHFFFAOYSA-N -1 1 353.403 2.614 20 10 FFCDMM CCc1ccc([C@@H](C)NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000920980343 737937880 /nfs/dbraw/zinc/93/78/80/737937880.db2.gz JJYHGQNWTODQQZ-YDRQLGOLSA-N -1 1 359.495 2.683 20 10 FFCDMM C[C@@H]1OCC[C@]12CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931294 739515599 /nfs/dbraw/zinc/51/55/99/739515599.db2.gz GGYZSOIRTRTDAX-GDLVEWKHSA-N -1 1 356.806 2.722 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cccc(Br)c2)ccc1O ZINC000797820277 740276369 /nfs/dbraw/zinc/27/63/69/740276369.db2.gz OVOKBHXSTUPGGR-UHFFFAOYSA-N -1 1 358.213 2.964 20 10 FFCDMM CCOc1cccc(CC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000798002416 740298358 /nfs/dbraw/zinc/29/83/58/740298358.db2.gz HBCFCOOTJVONFL-UHFFFAOYSA-N -1 1 365.227 2.807 20 10 FFCDMM CO[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000799406158 740416890 /nfs/dbraw/zinc/41/68/90/740416890.db2.gz OYHBDHOSKBPYJL-STQMWFEESA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(NCCCOC(F)F)NCc1cccc(Br)c1[O-] ZINC000801072543 740583325 /nfs/dbraw/zinc/58/33/25/740583325.db2.gz SXTHLNSJADURKI-UHFFFAOYSA-N -1 1 353.163 2.583 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000809698141 741332959 /nfs/dbraw/zinc/33/29/59/741332959.db2.gz WPYAHXFDDPMMSX-CABCVRRESA-N -1 1 356.260 2.843 20 10 FFCDMM O=C1CN(Cc2cccc(NCc3cc(Cl)cc(F)c3[O-])c2)CCN1 ZINC000812795716 741652877 /nfs/dbraw/zinc/65/28/77/741652877.db2.gz AEQOPMMBDRRNKY-UHFFFAOYSA-N -1 1 363.820 2.729 20 10 FFCDMM C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000817769967 742210268 /nfs/dbraw/zinc/21/02/68/742210268.db2.gz XIQQLSOXPYZCFX-GHMZBOCLSA-N -1 1 353.390 2.677 20 10 FFCDMM COC[C@@]1(C(=O)OC)CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000827487955 743587652 /nfs/dbraw/zinc/58/76/52/743587652.db2.gz AOAMNDUETHIHKZ-MRXNPFEDSA-N -1 1 372.259 2.617 20 10 FFCDMM CC(C)c1ncsc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000836979474 746342348 /nfs/dbraw/zinc/34/23/48/746342348.db2.gz GGPAGKJOJIPJQG-UHFFFAOYSA-N -1 1 355.441 2.596 20 10 FFCDMM C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000844146892 747978365 /nfs/dbraw/zinc/97/83/65/747978365.db2.gz LGEVHEITLCWYBC-MNOVXSKESA-N -1 1 353.390 2.677 20 10 FFCDMM O=C(COC(=O)[C@@H]1CSC[C@H]1c1ccccc1)c1ccc([O-])c(O)c1 ZINC000845412220 748252185 /nfs/dbraw/zinc/25/21/85/748252185.db2.gz VDGDVCHJTSVBPK-LSDHHAIUSA-N -1 1 358.415 2.971 20 10 FFCDMM O=C(COc1ccc(N2CCCC2=O)cc1)NCc1cccc(Cl)c1[O-] ZINC000890758216 960316773 /nfs/dbraw/zinc/31/67/73/960316773.db2.gz SABORBSDHZGCFU-UHFFFAOYSA-N -1 1 374.824 2.868 20 10 FFCDMM O=C(Cc1ccsc1)N1CC2(CN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001279108821 964324937 /nfs/dbraw/zinc/32/49/37/964324937.db2.gz WYZYAZNWDHTVJI-UHFFFAOYSA-N -1 1 364.417 2.619 20 10 FFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000156366029 984326135 /nfs/dbraw/zinc/32/61/35/984326135.db2.gz VHFPFRYPLIHKKH-UHFFFAOYSA-N -1 1 369.465 2.890 20 10 FFCDMM CC(C)CC(=O)N1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC001591106419 991738991 /nfs/dbraw/zinc/73/89/91/991738991.db2.gz GYVYVZDGHNXXBF-UHFFFAOYSA-N -1 1 370.449 2.934 20 10 FFCDMM C[C@@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000827238073 1015991957 /nfs/dbraw/zinc/99/19/57/1015991957.db2.gz FYHAWKPQSNLIGG-MNOVXSKESA-N -1 1 368.405 2.612 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@H]1c1ccc(F)cc1)cc2=O ZINC000846235186 1000239175 /nfs/dbraw/zinc/23/91/75/1000239175.db2.gz UTUGODDNSFQDJS-HNNXBMFYSA-N -1 1 356.357 2.609 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]1c1ccc(F)cc1)cc2=O ZINC000846235186 1000239179 /nfs/dbraw/zinc/23/91/79/1000239179.db2.gz UTUGODDNSFQDJS-HNNXBMFYSA-N -1 1 356.357 2.609 20 10 FFCDMM COc1cc(Br)c([O-])c(NC(=O)c2cccc(O)c2O)c1 ZINC001148218899 1001071529 /nfs/dbraw/zinc/07/15/29/1001071529.db2.gz MYPOIQOHJDPDQK-UHFFFAOYSA-N -1 1 354.156 2.827 20 10 FFCDMM COc1ccc(C(=O)[O-])cc1NCc1ccc(N2CCN(C)CC2)cc1 ZINC000789898084 1002230333 /nfs/dbraw/zinc/23/03/33/1002230333.db2.gz UACMOGXSVGTEGZ-UHFFFAOYSA-N -1 1 355.438 2.757 20 10 FFCDMM CCCCCCNC(=O)[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000789967067 1002242607 /nfs/dbraw/zinc/24/26/07/1002242607.db2.gz UUXUWYFOHSGUBJ-ZDUSSCGKSA-N -1 1 366.433 2.786 20 10 FFCDMM COc1cc(Br)cnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314515 1003104275 /nfs/dbraw/zinc/10/42/75/1003104275.db2.gz BQZKFYPVKVEQSI-UHFFFAOYSA-N -1 1 353.172 2.559 20 10 FFCDMM CC(C)(C)OC(=O)Cc1cccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316478 1003105963 /nfs/dbraw/zinc/10/59/63/1003105963.db2.gz SUMJZADMMQLODU-UHFFFAOYSA-N -1 1 358.394 2.672 20 10 FFCDMM O=C(CNc1ccc2cc(F)cc([N+](=O)[O-])c2n1)c1ccc([O-])c(O)c1 ZINC001170316460 1003106038 /nfs/dbraw/zinc/10/60/38/1003106038.db2.gz RZADXPFQADRVLO-UHFFFAOYSA-N -1 1 357.297 2.988 20 10 FFCDMM COC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)c(C)c1 ZINC000775084432 1003555111 /nfs/dbraw/zinc/55/51/11/1003555111.db2.gz MEJMIYRSGCWEAZ-MRXNPFEDSA-N -1 1 374.393 2.930 20 10 FFCDMM O=C(Nc1ccc(C[C@H]2COC(=O)N2)cc1)c1ccc(O)c([O-])c1Cl ZINC001193229917 1004429426 /nfs/dbraw/zinc/42/94/26/1004429426.db2.gz OQPXPIDHQUVXFH-NSHDSACASA-N -1 1 362.769 2.654 20 10 FFCDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000775405805 1007752197 /nfs/dbraw/zinc/75/21/97/1007752197.db2.gz VGKGZNBRDAHDGI-GFCCVEGCSA-N -1 1 367.453 2.538 20 10 FFCDMM CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409860 1009684393 /nfs/dbraw/zinc/68/43/93/1009684393.db2.gz HDTDWJMBBRIZIV-JAYGETEZSA-N -1 1 368.886 2.920 20 10 FFCDMM COc1cccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217056266 1032599068 /nfs/dbraw/zinc/59/90/68/1032599068.db2.gz JWHFYJCCPAWOMO-UHFFFAOYSA-N -1 1 367.405 2.950 20 10 FFCDMM CC[C@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001275228753 1012108524 /nfs/dbraw/zinc/10/85/24/1012108524.db2.gz GQKMKSJJTQDWQC-ORAYPTAESA-N -1 1 368.424 2.520 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000825568704 1012645930 /nfs/dbraw/zinc/64/59/30/1012645930.db2.gz XDQZRZZQHWOHSE-LLVKDONJSA-N -1 1 358.369 2.855 20 10 FFCDMM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000901174667 1018793356 /nfs/dbraw/zinc/79/33/56/1018793356.db2.gz GNZCNUNQHHSDDQ-HNNXBMFYSA-N -1 1 369.421 2.587 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CCNCC1(F)F ZINC001218006564 1032947275 /nfs/dbraw/zinc/94/72/75/1032947275.db2.gz LSQAAXNPZYYKAM-AWEZNQCLSA-N -1 1 359.328 2.544 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CCNCC1(F)F)C(=O)c1ccccc1C2=O ZINC001218008760 1032949061 /nfs/dbraw/zinc/94/90/61/1032949061.db2.gz BBNQNDDCUWOCAK-OAHLLOKOSA-N -1 1 373.355 2.852 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCCN2Cc1c([O-])cccc1F ZINC001137832604 1033166496 /nfs/dbraw/zinc/16/64/96/1033166496.db2.gz AVIIAKYMYCKBIZ-RDJZCZTQSA-N -1 1 366.433 2.742 20 10 FFCDMM CC(C)n1nc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c2ccccc21 ZINC001153924708 1028071565 /nfs/dbraw/zinc/07/15/65/1028071565.db2.gz AMLPXFDSHAJFTM-UHFFFAOYSA-N -1 1 353.378 2.641 20 10 FFCDMM O=C(Nc1nc2ccc(F)cc2o1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155218125 1028628292 /nfs/dbraw/zinc/62/82/92/1028628292.db2.gz IMVQOXWUPNQVHK-UHFFFAOYSA-N -1 1 356.265 2.737 20 10 FFCDMM O=C(Nc1ccc(-n2ccnc2)cc1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155218245 1028630455 /nfs/dbraw/zinc/63/04/55/1028630455.db2.gz MUAGUUHIJNLWNX-UHFFFAOYSA-N -1 1 363.329 2.642 20 10 FFCDMM COc1cc(Cl)ncc1NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155224185 1028631646 /nfs/dbraw/zinc/63/16/46/1028631646.db2.gz PIMRRAPYQHLJJK-UHFFFAOYSA-N -1 1 362.725 2.514 20 10 FFCDMM C[C@@H]1C(=O)CCN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)C12CCCC2 ZINC001155228789 1028635222 /nfs/dbraw/zinc/63/52/22/1028635222.db2.gz XFMCVVGPVFGLGP-LLVKDONJSA-N -1 1 371.389 2.568 20 10 FFCDMM CN(C(=O)c1cc2cc(O)c([O-])cc2oc1=O)[C@H]1CCc2ccccc21 ZINC001155228624 1028635398 /nfs/dbraw/zinc/63/53/98/1028635398.db2.gz UOVUXHKFTNJHJP-HNNXBMFYSA-N -1 1 351.358 2.964 20 10 FFCDMM O=C(Cc1csc(-c2ccccn2)n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782082390 1029562089 /nfs/dbraw/zinc/56/20/89/1029562089.db2.gz WERZXMAZCTVSNQ-UHFFFAOYSA-N -1 1 370.386 2.585 20 10 FFCDMM O=C(COC(=O)c1cnn(-c2ccccc2Cl)c1)c1ccc([O-])c(O)c1 ZINC000783302731 1030019253 /nfs/dbraw/zinc/01/92/53/1030019253.db2.gz OZRYWXRMXNIYEV-UHFFFAOYSA-N -1 1 372.764 2.977 20 10 FFCDMM O=C(COC(=O)c1ccc(C(=O)c2cc[nH]c2)cc1)c1ccc([O-])c(O)c1 ZINC000783983890 1030389214 /nfs/dbraw/zinc/38/92/14/1030389214.db2.gz YCWLEBHDLNBKFH-UHFFFAOYSA-N -1 1 365.341 2.697 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nn1-c1ccc(F)cc1 ZINC000784568775 1030689682 /nfs/dbraw/zinc/68/96/82/1030689682.db2.gz ZIEQFQHPXOIWRO-UHFFFAOYSA-N -1 1 370.336 2.771 20 10 FFCDMM CN(C)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc2n1 ZINC000784684840 1030754191 /nfs/dbraw/zinc/75/41/91/1030754191.db2.gz MIUWLFZAZGSXHA-UHFFFAOYSA-N -1 1 366.373 2.752 20 10 FFCDMM CC(C)(C)OC(=O)NCCN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC001203650878 1030804559 /nfs/dbraw/zinc/80/45/59/1030804559.db2.gz FQEGWCRKTITCND-UHFFFAOYSA-N -1 1 369.893 2.688 20 10 FFCDMM O=C(NCCn1c(=O)[nH]c2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001223178216 1033321999 /nfs/dbraw/zinc/32/19/99/1033321999.db2.gz VRJYKWWODBANFB-UHFFFAOYSA-N -1 1 360.801 2.600 20 10 FFCDMM CCCNC(=O)[C@H]1CCCCN1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129209 1034957889 /nfs/dbraw/zinc/95/78/89/1034957889.db2.gz QNJRDBOJEFTPNY-MRXNPFEDSA-N -1 1 358.438 2.688 20 10 FFCDMM C=CC(=O)OC[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580441 1035615859 /nfs/dbraw/zinc/61/58/59/1035615859.db2.gz PYJSLSQRJQLECO-NSHDSACASA-N -1 1 352.342 2.664 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2OC1CCN(CCF)CC1 ZINC001227580595 1035615868 /nfs/dbraw/zinc/61/58/68/1035615868.db2.gz RPXLCNDAPXRDCM-UHFFFAOYSA-N -1 1 369.392 2.980 20 10 FFCDMM CCO[C@@H]1CC[N@@H+](Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233309267 1036514355 /nfs/dbraw/zinc/51/43/55/1036514355.db2.gz ZZNDGSFRHNDDQB-GFCCVEGCSA-N -1 1 358.232 2.552 20 10 FFCDMM CCO[C@@H]1CCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233309267 1036514367 /nfs/dbraw/zinc/51/43/67/1036514367.db2.gz ZZNDGSFRHNDDQB-GFCCVEGCSA-N -1 1 358.232 2.552 20 10 FFCDMM Cn1cc2c(n1)CN(Cc1c([O-])ccc(F)c1F)C[C@H]2COCC1CC1 ZINC001233333278 1036537734 /nfs/dbraw/zinc/53/77/34/1036537734.db2.gz QIKUMPGMSYYDFA-ZDUSSCGKSA-N -1 1 363.408 2.930 20 10 FFCDMM CC(=O)N1CCC[C@]2(CN(Cc3cccc(C(F)(F)F)c3[O-])CCO2)C1 ZINC001233418117 1036611207 /nfs/dbraw/zinc/61/12/07/1036611207.db2.gz UQNOPHQSONFGQS-KRWDZBQOSA-N -1 1 372.387 2.624 20 10 FFCDMM COc1c([O-])cc2c(c1OC1CC1)C(=O)c1c(cc(C)c(O)c1OC)C2=O ZINC001229605181 1036775052 /nfs/dbraw/zinc/77/50/52/1036775052.db2.gz ZIBQZZWENOOKLU-UHFFFAOYSA-N -1 1 370.357 2.740 20 10 FFCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(F)(F)F ZINC001229787814 1036896534 /nfs/dbraw/zinc/89/65/34/1036896534.db2.gz XFPNCDBEWSQTLG-LURJTMIESA-N -1 1 374.267 2.775 20 10 FFCDMM COC(=O)C1CC(Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229829651 1036922839 /nfs/dbraw/zinc/92/28/39/1036922839.db2.gz WWPMLVCMYHNBHS-UHFFFAOYSA-N -1 1 366.369 2.806 20 10 FFCDMM CN(C)C(=O)NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235076600 1037345361 /nfs/dbraw/zinc/34/53/61/1037345361.db2.gz YMKQRGCGGKSAOY-UHFFFAOYSA-N -1 1 374.254 2.529 20 10 FFCDMM CC[C@H](C)N1C[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277507555 1037537992 /nfs/dbraw/zinc/53/79/92/1037537992.db2.gz QMMBOBZKMAQRHZ-SGTLLEGYSA-N -1 1 370.852 2.787 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CCN(C/C=C/c3ccccc3)CC2)c1 ZINC001231561804 1037684849 /nfs/dbraw/zinc/68/48/49/1037684849.db2.gz VUEXKJLFIIIMOT-QPJJXVBHSA-N -1 1 352.434 2.921 20 10 FFCDMM CSc1cc(NC(=O)NCc2cccc(Br)c2[O-])ncn1 ZINC001207816189 1037749646 /nfs/dbraw/zinc/74/96/46/1037749646.db2.gz CQXKHKNHLPSSPB-UHFFFAOYSA-N -1 1 369.244 2.988 20 10 FFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC[C@@H](N2CCOCC2)[C@@H](F)C1 ZINC001237086832 1038440898 /nfs/dbraw/zinc/44/08/98/1038440898.db2.gz PBKJVUIYVPCDCL-UONOGXRCSA-N -1 1 363.260 2.944 20 10 FFCDMM O=S(=O)(NC1CCN(C2CC2)CC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251436677 1039129976 /nfs/dbraw/zinc/12/99/76/1039129976.db2.gz LQLZUFZLMINAAW-UHFFFAOYSA-N -1 1 365.282 2.604 20 10 FFCDMM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1cccc2nsnc21 ZINC001260388612 1040572110 /nfs/dbraw/zinc/57/21/10/1040572110.db2.gz QHUHNKITUOPBMM-UHFFFAOYSA-N -1 1 355.828 2.638 20 10 FFCDMM CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279489182 1043174567 /nfs/dbraw/zinc/17/45/67/1043174567.db2.gz LQHIQMAPSHNZID-CQSZACIVSA-N -1 1 360.404 2.980 20 10 FFCDMM C[C@@H]1CN(Cc2cccc(I)c2[O-])CCCC1=O ZINC001237774903 1043351535 /nfs/dbraw/zinc/35/15/35/1043351535.db2.gz AJYDNQOGRKTQTB-SNVBAGLBSA-N -1 1 359.207 2.798 20 10 FFCDMM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)c1cccnc1 ZINC001237940630 1043446242 /nfs/dbraw/zinc/44/62/42/1043446242.db2.gz MSWFWSOOVPPPML-CQSZACIVSA-N -1 1 363.820 2.974 20 10 FFCDMM CCn1ccnc1CN1CCC12CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684797 1043465760 /nfs/dbraw/zinc/46/57/60/1043465760.db2.gz UFIAAJBHHQXXLK-UHFFFAOYSA-N -1 1 364.852 2.861 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@H](c2nn[n-]n2)C1 ZINC000753865216 1052431816 /nfs/dbraw/zinc/43/18/16/1052431816.db2.gz ZVHGVHJRIFSZTF-INIZCTEOSA-N -1 1 364.453 2.935 20 10 FFCDMM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ccc([O-])cn1 ZINC001546185153 1064594201 /nfs/dbraw/zinc/59/42/01/1064594201.db2.gz KBJFGSNIHNKJQL-UHFFFAOYSA-N -1 1 363.364 2.787 20 10 FFCDMM Cc1nn(C)c(C)c1-c1cc(C(=O)NCc2cccc(Cl)c2[O-])[nH]n1 ZINC001472316499 1065012829 /nfs/dbraw/zinc/01/28/29/1065012829.db2.gz UFKUZOADDNFDCN-UHFFFAOYSA-N -1 1 359.817 2.716 20 10 FFCDMM CNC(=O)CN(Cc1ccccc1)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC001473736010 1065340212 /nfs/dbraw/zinc/34/02/12/1065340212.db2.gz NUKDLJMPJLJHBX-UHFFFAOYSA-N -1 1 360.841 2.996 20 10 FFCDMM COCC(=O)Nc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001562095272 1076475392 /nfs/dbraw/zinc/47/53/92/1076475392.db2.gz YKFJNQBDHWALQH-UHFFFAOYSA-N -1 1 363.801 2.952 20 10 FFCDMM Cc1ccc(-n2cnnn2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001562194999 1076481688 /nfs/dbraw/zinc/48/16/88/1076481688.db2.gz RUOILCVYJUVSTO-UHFFFAOYSA-N -1 1 358.789 2.651 20 10 FFCDMM C[C@H](Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984627 1080922761 /nfs/dbraw/zinc/92/27/61/1080922761.db2.gz RJKQCMOWXLHOMC-NSHDSACASA-N -1 1 364.409 2.638 20 10 FFCDMM O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)c1ccc([O-])c(O)c1 ZINC000071074841 507691897 /nfs/dbraw/zinc/69/18/97/507691897.db2.gz VPOBFXGASIZSOG-JTQLQIEISA-N -1 1 367.452 2.515 20 10 FFCDMM CC(C)c1ncncc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277609126 510967167 /nfs/dbraw/zinc/96/71/67/510967167.db2.gz VCVHMJSZNAXHNU-UHFFFAOYSA-N -1 1 350.216 2.998 20 10 FFCDMM C[C@H](NC(=O)CC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277596913 510967080 /nfs/dbraw/zinc/96/70/80/510967080.db2.gz SXZBGZNPDKHINL-JTQLQIEISA-N -1 1 371.275 2.712 20 10 FFCDMM COCCn1cc(C[NH2+][C@@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000282435410 510976298 /nfs/dbraw/zinc/97/62/98/510976298.db2.gz DLXKNDCUMMKVHA-NSHDSACASA-N -1 1 354.248 2.848 20 10 FFCDMM CCCCN(Cc1ccccc1O)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000287624607 511054686 /nfs/dbraw/zinc/05/46/86/511054686.db2.gz NUMSJCYUDGFJBE-JWGURIENSA-N -1 1 353.426 2.882 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000295635617 511467232 /nfs/dbraw/zinc/46/72/32/511467232.db2.gz CECKVJVTXVXRPU-FQEVSTJZSA-N -1 1 359.397 2.694 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000375823214 512525551 /nfs/dbraw/zinc/52/55/51/512525551.db2.gz JGWDUACDZNTOTH-SJLPKXTDSA-N -1 1 361.417 2.556 20 10 FFCDMM C[C@]1(Br)C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529169020 516977438 /nfs/dbraw/zinc/97/74/38/516977438.db2.gz HHRSPNPONAYVNW-UFBFGSQYSA-N -1 1 363.049 2.944 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000739793191 600315722 /nfs/dbraw/zinc/31/57/22/600315722.db2.gz BTBJIHOBGBAYOW-MRXNPFEDSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(F)c(F)c1 ZINC000739793191 600315726 /nfs/dbraw/zinc/31/57/26/600315726.db2.gz BTBJIHOBGBAYOW-MRXNPFEDSA-N -1 1 371.767 2.944 20 10 FFCDMM C[C@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833814121 605596728 /nfs/dbraw/zinc/59/67/28/605596728.db2.gz RMFNNXQLHJFBTC-UWVGGRQHSA-N -1 1 357.794 2.822 20 10 FFCDMM CC1CCN(c2ccc(CNc3ccc(-c4nnn[n-]4)nn3)cc2)CC1 ZINC000824963027 608416517 /nfs/dbraw/zinc/41/65/17/608416517.db2.gz YSEJGIWOYZWWRE-UHFFFAOYSA-N -1 1 350.430 2.505 20 10 FFCDMM CC1CCN(c2ccc(CNc3ccc(-c4nn[n-]n4)nn3)cc2)CC1 ZINC000824963027 608416519 /nfs/dbraw/zinc/41/65/19/608416519.db2.gz YSEJGIWOYZWWRE-UHFFFAOYSA-N -1 1 350.430 2.505 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1c[nH]nc1C(F)(F)F ZINC000866485103 731065625 /nfs/dbraw/zinc/06/56/25/731065625.db2.gz FLPFYIYZCZPYQB-UHFFFAOYSA-N -1 1 374.388 2.507 20 10 FFCDMM CC(C)O[C@]1(CS(=O)(=O)Nc2cc(Cl)c([O-])cc2F)CCOC1 ZINC000872370654 731757829 /nfs/dbraw/zinc/75/78/29/731757829.db2.gz BSIATBMHFFMZSA-CQSZACIVSA-N -1 1 367.826 2.511 20 10 FFCDMM C[C@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1O ZINC000882502434 733235972 /nfs/dbraw/zinc/23/59/72/733235972.db2.gz JNWDJLFKLVHNJJ-YTEVENLXSA-N -1 1 360.501 2.718 20 10 FFCDMM O=C(COC(=O)c1cc2c(c(Cl)c1)OCO2)c1ccc([O-])c(O)c1 ZINC000782508405 738728799 /nfs/dbraw/zinc/72/87/99/738728799.db2.gz WSOFSLXAOPDVIK-UHFFFAOYSA-N -1 1 350.710 2.520 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN1C(=O)c1ccccc1 ZINC000890758214 734336752 /nfs/dbraw/zinc/33/67/52/734336752.db2.gz RZCBTNZFUBAXBH-MRXNPFEDSA-N -1 1 358.825 2.967 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccc(CN2CCOCC2)c1 ZINC000890758324 734336828 /nfs/dbraw/zinc/33/68/28/734336828.db2.gz VOLQTKZNACAHON-UHFFFAOYSA-N -1 1 360.841 2.808 20 10 FFCDMM O=S(=O)([N-]CCCSc1nccs1)c1cc(F)ccc1F ZINC000733899053 734857096 /nfs/dbraw/zinc/85/70/96/734857096.db2.gz BZJHOTZHFNIYML-UHFFFAOYSA-N -1 1 350.437 2.882 20 10 FFCDMM CCOC(=O)N(C)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000897575960 735250576 /nfs/dbraw/zinc/25/05/76/735250576.db2.gz AIVGFGBSQBRZEV-UHFFFAOYSA-N -1 1 373.247 2.639 20 10 FFCDMM COc1cc(CNC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000764759735 737047123 /nfs/dbraw/zinc/04/71/23/737047123.db2.gz BTEOAAQKPFSYIU-UHFFFAOYSA-N -1 1 366.215 2.558 20 10 FFCDMM O=C(NCCOC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000764777725 737048491 /nfs/dbraw/zinc/04/84/91/737048491.db2.gz GKJXWDGJDZSKOP-UHFFFAOYSA-N -1 1 357.248 2.913 20 10 FFCDMM CCc1ncc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765316897 737107828 /nfs/dbraw/zinc/10/78/28/737107828.db2.gz PXNKFWLMMVMWJJ-UHFFFAOYSA-N -1 1 351.204 2.829 20 10 FFCDMM COc1cccnc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765340310 737109806 /nfs/dbraw/zinc/10/98/06/737109806.db2.gz WYPICMPVDZZXOP-UHFFFAOYSA-N -1 1 352.188 2.880 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2c1OCCO2 ZINC000765735857 737150912 /nfs/dbraw/zinc/15/09/12/737150912.db2.gz INKLQVPFICVGNX-UHFFFAOYSA-N -1 1 364.195 2.856 20 10 FFCDMM COc1ccccc1C(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765754786 737154239 /nfs/dbraw/zinc/15/42/39/737154239.db2.gz WPNODUXXPNCLRF-UHFFFAOYSA-N -1 1 364.195 2.662 20 10 FFCDMM CCOC(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765756937 737154699 /nfs/dbraw/zinc/15/46/99/737154699.db2.gz PAEUYJWREBHUPP-UHFFFAOYSA-N -1 1 356.216 2.504 20 10 FFCDMM Cc1ccc(F)c(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000771195354 737704872 /nfs/dbraw/zinc/70/48/72/737704872.db2.gz CERHDUDZDPRXID-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM O=C(COC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000916590265 737713522 /nfs/dbraw/zinc/71/35/22/737713522.db2.gz UXXRDZSEHNADPK-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1Cl ZINC000920975050 737937359 /nfs/dbraw/zinc/93/73/59/737937359.db2.gz YQYJCPBZSYPKOD-KPKJPENVSA-N -1 1 351.859 2.844 20 10 FFCDMM CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000776434857 738194139 /nfs/dbraw/zinc/19/41/39/738194139.db2.gz OQFOFRIZTDRMKJ-UHFFFAOYSA-N -1 1 369.782 2.747 20 10 FFCDMM O=C(NC1CC1)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000776749092 738229566 /nfs/dbraw/zinc/22/95/66/738229566.db2.gz WZLDWQNLYNQISH-UHFFFAOYSA-N -1 1 366.826 2.739 20 10 FFCDMM CN(C)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Cl)c1 ZINC000784603544 738907236 /nfs/dbraw/zinc/90/72/36/738907236.db2.gz VOPRILGQSRHRJS-KRWDZBQOSA-N -1 1 363.797 2.780 20 10 FFCDMM CC[N@H+](Cc1cc(Br)ccc1O)C[C@@H]1CCCS1(=O)=O ZINC000929755162 739018396 /nfs/dbraw/zinc/01/83/96/739018396.db2.gz JQQSICXPGNQEIQ-ZDUSSCGKSA-N -1 1 362.289 2.554 20 10 FFCDMM C[C@@H](CO)NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000787797594 739171500 /nfs/dbraw/zinc/17/15/00/739171500.db2.gz SYORWLNRYHRBPH-JTQLQIEISA-N -1 1 352.793 2.907 20 10 FFCDMM O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1c([O-])c(O)ccc1F ZINC000789996961 739403780 /nfs/dbraw/zinc/40/37/80/739403780.db2.gz WNTMENFBNDKHOQ-GFCCVEGCSA-N -1 1 359.275 2.719 20 10 FFCDMM O=C([N-]C[C@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514584 741532579 /nfs/dbraw/zinc/53/25/79/741532579.db2.gz AYRXVERVMNWFFR-SNVBAGLBSA-N -1 1 350.768 2.936 20 10 FFCDMM O=C([N-]C[C@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514584 741532582 /nfs/dbraw/zinc/53/25/82/741532582.db2.gz AYRXVERVMNWFFR-SNVBAGLBSA-N -1 1 350.768 2.936 20 10 FFCDMM O=C(C[C@H](O)Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000813539489 741732979 /nfs/dbraw/zinc/73/29/79/741732979.db2.gz PHWIJFQYCLHICZ-CQSZACIVSA-N -1 1 364.239 2.765 20 10 FFCDMM CN(C)C(=O)OC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000816655263 742051125 /nfs/dbraw/zinc/05/11/25/742051125.db2.gz YMUZZSVDEUZVPD-UHFFFAOYSA-N -1 1 357.794 2.616 20 10 FFCDMM O=C(Cn1cc(C2CC2)cn1)NCc1cccc(Br)c1[O-] ZINC000834475971 745846289 /nfs/dbraw/zinc/84/62/89/745846289.db2.gz JZGNCWLYQSBRSX-UHFFFAOYSA-N -1 1 350.216 2.545 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CC12CCOCC2 ZINC000836613412 746267754 /nfs/dbraw/zinc/26/77/54/746267754.db2.gz SRAGBMVVFYKOJW-LBPRGKRZSA-N -1 1 355.232 2.523 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1COC2(CCC2)C1 ZINC000852544451 749887460 /nfs/dbraw/zinc/88/74/60/749887460.db2.gz SMZXPCLUAPPHRN-LLVKDONJSA-N -1 1 355.232 2.666 20 10 FFCDMM CC1(C)OCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000852685377 749924931 /nfs/dbraw/zinc/92/49/31/749924931.db2.gz VGSONRUXSQCGJZ-NSHDSACASA-N -1 1 357.248 2.769 20 10 FFCDMM COc1c([O-])c([C@@H]2NC(C)(C)C(=O)N2CC2CCCC2)ccc1[N+](=O)[O-] ZINC000840826267 973378932 /nfs/dbraw/zinc/37/89/32/973378932.db2.gz JHCPXPCZOSXSES-MRXNPFEDSA-N -1 1 363.414 2.708 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000905694077 980497313 /nfs/dbraw/zinc/49/73/13/980497313.db2.gz QZRPNVWKDQBCLX-OAHLLOKOSA-N -1 1 369.417 2.524 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](C3OCCO3)C2)c1[O-] ZINC000905694077 980497316 /nfs/dbraw/zinc/49/73/16/980497316.db2.gz QZRPNVWKDQBCLX-OAHLLOKOSA-N -1 1 369.417 2.524 20 10 FFCDMM COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142509118 982465839 /nfs/dbraw/zinc/46/58/39/982465839.db2.gz XKKFPQSWKNTKCE-CYBMUJFWSA-N -1 1 372.412 2.738 20 10 FFCDMM CCO[C@@H]1CCC[N@H+](Cc2ccc(I)cc2O)C1 ZINC001232978375 986350311 /nfs/dbraw/zinc/35/03/11/986350311.db2.gz FCNGBKAHOZSWHO-CYBMUJFWSA-N -1 1 361.223 2.998 20 10 FFCDMM Cn1cc(NCc2cc(Cl)c3cccnc3c2[O-])cc([N+](=O)[O-])c1=O ZINC001168522774 990128526 /nfs/dbraw/zinc/12/85/26/990128526.db2.gz VPDOFOZAZCRRFW-UHFFFAOYSA-N -1 1 360.757 2.813 20 10 FFCDMM O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1c(F)ccc(O)c1[O-] ZINC000825441036 997377422 /nfs/dbraw/zinc/37/74/22/997377422.db2.gz IDOQCJYQYFNIBZ-UHFFFAOYSA-N -1 1 373.306 2.883 20 10 FFCDMM O=C(Cc1ccc(F)c(C(F)(F)F)c1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001143694738 997538989 /nfs/dbraw/zinc/53/89/89/997538989.db2.gz RMQGZNVSFSKURM-UHFFFAOYSA-N -1 1 371.286 2.797 20 10 FFCDMM COC(=O)C[C@@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000771867344 1001224748 /nfs/dbraw/zinc/22/47/48/1001224748.db2.gz HZPVYKDKCZSICV-HNNXBMFYSA-N -1 1 369.417 2.856 20 10 FFCDMM COC(=O)C[C@@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000771867344 1001224754 /nfs/dbraw/zinc/22/47/54/1001224754.db2.gz HZPVYKDKCZSICV-HNNXBMFYSA-N -1 1 369.417 2.856 20 10 FFCDMM O=C(CNc1nccc(N2Cc3ccccc3C2)n1)c1ccc([O-])c(O)c1 ZINC001170315602 1003106117 /nfs/dbraw/zinc/10/61/17/1003106117.db2.gz BJZBABOKLQTZHU-UHFFFAOYSA-N -1 1 362.389 2.703 20 10 FFCDMM O=C(CNc1ccc(OCc2ccncc2)nc1)c1ccc([O-])c(O)c1 ZINC001170320644 1003108804 /nfs/dbraw/zinc/10/88/04/1003108804.db2.gz GOUXZNUYSYZYML-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM O=C(CNc1c(Br)ccc2nccn21)c1ccc([O-])c(O)c1 ZINC001170321216 1003110531 /nfs/dbraw/zinc/11/05/31/1003110531.db2.gz XLPYYKPRAYTYHW-UHFFFAOYSA-N -1 1 362.183 2.803 20 10 FFCDMM O=C(C[C@H]1CCc2cc(F)ccc2C1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186165666 1003196580 /nfs/dbraw/zinc/19/65/80/1003196580.db2.gz NSISTHXXHCTFDC-LBPRGKRZSA-N -1 1 357.381 2.731 20 10 FFCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)c(C)cc1O ZINC001195227284 1004920603 /nfs/dbraw/zinc/92/06/03/1004920603.db2.gz KXAILXXTHFVUMI-UHFFFAOYSA-N -1 1 357.334 2.786 20 10 FFCDMM O=C(c1ccc(NCc2cc(F)cc(F)c2[O-])cc1)N1CCC(O)CC1 ZINC000883141568 1006667973 /nfs/dbraw/zinc/66/79/73/1006667973.db2.gz FJHUDTQULWTHAD-UHFFFAOYSA-N -1 1 362.376 2.879 20 10 FFCDMM CC(C)[C@@H](C)NC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152602511 1032202773 /nfs/dbraw/zinc/20/27/73/1032202773.db2.gz WBMIFJJJZFHMHB-SNVBAGLBSA-N -1 1 353.374 2.648 20 10 FFCDMM Cc1nc(-c2cccnc2)sc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001190192946 1007493397 /nfs/dbraw/zinc/49/33/97/1007493397.db2.gz SQUHAJBOGPEAQA-UHFFFAOYSA-N -1 1 369.402 2.537 20 10 FFCDMM COc1cnc2ccccc2c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000801899665 1019495401 /nfs/dbraw/zinc/49/54/01/1019495401.db2.gz DGDZTUJHRKQOKA-UHFFFAOYSA-N -1 1 353.330 2.694 20 10 FFCDMM O=c1ccc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)ccc2[nH]1 ZINC000751127605 1022760066 /nfs/dbraw/zinc/76/00/66/1022760066.db2.gz PKGUMIGJSCADPN-UHFFFAOYSA-N -1 1 369.446 2.929 20 10 FFCDMM [O-]c1cccc(F)c1CN1CCCn2nnc(COc3cccnc3)c2C1 ZINC001137832621 1033166455 /nfs/dbraw/zinc/16/64/55/1033166455.db2.gz BKRBZFWNXQYMGL-UHFFFAOYSA-N -1 1 369.400 2.503 20 10 FFCDMM COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1F ZINC001137832745 1033167132 /nfs/dbraw/zinc/16/71/32/1033167132.db2.gz GMXPKVREQPQSPD-CYBMUJFWSA-N -1 1 354.422 2.599 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1[nH]cnc1C(=O)c1ccccc1 ZINC001159041650 1027241777 /nfs/dbraw/zinc/24/17/77/1027241777.db2.gz VVHVDAKYNUEKCW-UHFFFAOYSA-N -1 1 355.781 2.930 20 10 FFCDMM COC(=O)c1ccc2nc(NCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC001159277781 1027332858 /nfs/dbraw/zinc/33/28/58/1027332858.db2.gz ZOOUDRBTRCVUOG-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM O=C(CNC(F)(F)c1nc(Cl)cc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159273423 1027333944 /nfs/dbraw/zinc/33/39/44/1027333944.db2.gz WKSJCOZZDOJWKQ-UHFFFAOYSA-N -1 1 364.135 2.716 20 10 FFCDMM COc1cccc(-c2ccnc(NCC(=O)c3ccc([O-])c(O)c3)n2)c1 ZINC001159279063 1027335173 /nfs/dbraw/zinc/33/51/73/1027335173.db2.gz JOHMYYROYFMTSV-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM Cc1nc2c(nc(Cl)nc2NCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001159279767 1027335497 /nfs/dbraw/zinc/33/54/97/1027335497.db2.gz XWPHNCJMJUAMAP-UHFFFAOYSA-N -1 1 350.787 2.754 20 10 FFCDMM CCOC(=O)c1cnc(NCC(=O)c2ccc([O-])c(O)c2)c(Cl)c1 ZINC001159279069 1027335655 /nfs/dbraw/zinc/33/56/55/1027335655.db2.gz JSMLNJBUUVDJSP-UHFFFAOYSA-N -1 1 350.758 2.618 20 10 FFCDMM COC(=O)c1ccc2cc(NCC(=O)c3ccc([O-])c(O)c3)ncc2c1 ZINC001159279217 1027335982 /nfs/dbraw/zinc/33/59/82/1027335982.db2.gz MKQXLVISIKGIMD-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM O=C(NCCc1cccc(Br)c1)c1c([O-])c(O)ccc1F ZINC001161448401 1028179392 /nfs/dbraw/zinc/17/93/92/1028179392.db2.gz CGYRBECUWDNIIN-UHFFFAOYSA-N -1 1 354.175 2.972 20 10 FFCDMM CC(C)CC1(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CCOCC1 ZINC001155235418 1028641457 /nfs/dbraw/zinc/64/14/57/1028641457.db2.gz NQWSZYFRFIZGHI-UHFFFAOYSA-N -1 1 361.394 2.529 20 10 FFCDMM Cc1cnn(-c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2)c1 ZINC000783023233 1029881098 /nfs/dbraw/zinc/88/10/98/1029881098.db2.gz GUKZWSZILWGNLK-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM O=C(Cc1coc(-c2ccc(F)cc2)n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783670189 1030221933 /nfs/dbraw/zinc/22/19/33/1030221933.db2.gz PPBLDUZNHVIDHI-UHFFFAOYSA-N -1 1 371.320 2.861 20 10 FFCDMM COc1ccc(C(=O)N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001142531328 1030580926 /nfs/dbraw/zinc/58/09/26/1030580926.db2.gz UTZFUQVGBMSPCH-UHFFFAOYSA-N -1 1 362.376 2.637 20 10 FFCDMM CC(C)=CCN1CC2(CN(Cc3cc(F)c(Cl)cc3[O-])C2)OCC1=O ZINC001276967767 1033864677 /nfs/dbraw/zinc/86/46/77/1033864677.db2.gz UASUIAHOMWRROI-UHFFFAOYSA-N -1 1 368.836 2.564 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)c([O-])cc1O)[C@@H]2C ZINC001232263123 1035536412 /nfs/dbraw/zinc/53/64/12/1035536412.db2.gz HPLSOMBZHIZTJR-SNVBAGLBSA-N -1 1 365.817 2.701 20 10 FFCDMM Cc1c([O-])cc2c(c1OC1CN(C(C)C)C1)C(=O)c1ccccc1C2=O ZINC001229828915 1036923635 /nfs/dbraw/zinc/92/36/35/1036923635.db2.gz IALSPVLSCGPOFD-UHFFFAOYSA-N -1 1 351.402 2.947 20 10 FFCDMM CCN1CC[C@@H](Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229828935 1036923728 /nfs/dbraw/zinc/92/37/28/1036923728.db2.gz IOUOXVDAQJEIJA-CYBMUJFWSA-N -1 1 351.402 2.949 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001234476640 1037053661 /nfs/dbraw/zinc/05/36/61/1037053661.db2.gz NFJGCMHLEUNCLU-GFCCVEGCSA-N -1 1 374.368 2.518 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@H](Oc2cnccn2)C1 ZINC001235307004 1037465896 /nfs/dbraw/zinc/46/58/96/1037465896.db2.gz JUQVIOQGPAXZPG-LBPRGKRZSA-N -1 1 368.206 2.737 20 10 FFCDMM CC(C)(C)OC(=O)N1CCC2(CN(Cc3cc(C(=O)[O-])ccc3O)C2)C1 ZINC001231561642 1037684721 /nfs/dbraw/zinc/68/47/21/1037684721.db2.gz XIRCAEPPPKABJB-UHFFFAOYSA-N -1 1 362.426 2.533 20 10 FFCDMM CC(C)(C)OC(=O)N1CC(N(Cc2cc(C(=O)[O-])ccc2O)C2CC2)C1 ZINC001231566300 1037688962 /nfs/dbraw/zinc/68/89/62/1037688962.db2.gz XCLSDHZVZWZRHP-UHFFFAOYSA-N -1 1 362.426 2.674 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CC[C@H]1F ZINC001231565004 1037689318 /nfs/dbraw/zinc/68/93/18/1037689318.db2.gz MUYKAKIYMRHBGV-KGLIPLIRSA-N -1 1 368.405 2.528 20 10 FFCDMM N[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1(F)F ZINC001235914803 1037830240 /nfs/dbraw/zinc/83/02/40/1037830240.db2.gz LXZYXQSSXYMBDV-JTQLQIEISA-N -1 1 355.610 2.976 20 10 FFCDMM CC(C)N(C)C(=O)C1=NO[C@]2(CCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231909539 1038000285 /nfs/dbraw/zinc/00/02/85/1038000285.db2.gz CBHJPDIJOJCJQS-GOSISDBHSA-N -1 1 365.861 2.633 20 10 FFCDMM CC[C@@H](C)N1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992747 1038169782 /nfs/dbraw/zinc/16/97/82/1038169782.db2.gz MRFXKTYOKBIQNU-LLVKDONJSA-N -1 1 373.280 2.911 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCn2nc(C(F)(F)F)nc2C1 ZINC001237122850 1038450782 /nfs/dbraw/zinc/45/07/82/1038450782.db2.gz ZRYMQRGPCLECIG-UHFFFAOYSA-N -1 1 350.703 2.811 20 10 FFCDMM CN(C1CC1)[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251415781 1039119537 /nfs/dbraw/zinc/11/95/37/1039119537.db2.gz MKDZSIQVJGCTQN-NSHDSACASA-N -1 1 365.282 2.556 20 10 FFCDMM COC(=O)[N-]C(=S)N(c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1N ZINC001209939553 1039298488 /nfs/dbraw/zinc/29/84/88/1039298488.db2.gz OJOAVCLGPCZBSP-UHFFFAOYSA-N -1 1 361.383 2.538 20 10 FFCDMM CN1CCN(c2cccc([N-]S(=O)(=O)c3c(F)cccc3F)c2)CC1 ZINC001259068337 1039683775 /nfs/dbraw/zinc/68/37/75/1039683775.db2.gz DEWADEOIOXQOPS-UHFFFAOYSA-N -1 1 367.421 2.517 20 10 FFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnc(N4CCC4)nc3)c([O-])cc21 ZINC001210722961 1039690895 /nfs/dbraw/zinc/69/08/95/1039690895.db2.gz XDMSLEKMSNRVHN-UHFFFAOYSA-N -1 1 372.384 2.911 20 10 FFCDMM COc1cc(NS(=O)(=O)c2cccc3nsnc32)ccc1[S-] ZINC001260388378 1040571751 /nfs/dbraw/zinc/57/17/51/1040571751.db2.gz FFVLPWANAJHEEV-UHFFFAOYSA-N -1 1 353.450 2.789 20 10 FFCDMM O=S(=O)([N-]Cc1c(O)cccc1F)c1sccc1Br ZINC001213797854 1040920361 /nfs/dbraw/zinc/92/03/61/1040920361.db2.gz QIJGHCMDFDCYGG-UHFFFAOYSA-N -1 1 366.233 2.834 20 10 FFCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1cnc2c(cnn2C)c1 ZINC001255234880 1041216726 /nfs/dbraw/zinc/21/67/26/1041216726.db2.gz SWNGSNKEMIQCHQ-UHFFFAOYSA-N -1 1 360.439 2.907 20 10 FFCDMM CCCc1csc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001262776500 1041849780 /nfs/dbraw/zinc/84/97/80/1041849780.db2.gz GCZBGTGBQXZWIP-UHFFFAOYSA-N -1 1 353.831 2.710 20 10 FFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001279677068 1043450991 /nfs/dbraw/zinc/45/09/91/1043450991.db2.gz XHSGJZILDAWTDG-UHFFFAOYSA-N -1 1 353.253 2.882 20 10 FFCDMM O=C([O-])[C@H](CC1CCOCC1)[NH2+]Cc1c([O-])cccc1Br ZINC001331994338 1048201650 /nfs/dbraw/zinc/20/16/50/1048201650.db2.gz ISQSREAHUQWZDR-ZDUSSCGKSA-N -1 1 358.232 2.514 20 10 FFCDMM CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001305069315 1051795157 /nfs/dbraw/zinc/79/51/57/1051795157.db2.gz CXDUDUZKISCHMK-ZENOOKHLSA-N -1 1 354.878 2.796 20 10 FFCDMM NC(=O)CCOc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001476159248 1061357963 /nfs/dbraw/zinc/35/79/63/1061357963.db2.gz CCTSJXISDZFLMU-UHFFFAOYSA-N -1 1 363.801 2.622 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2cnc(SC)[n-]c2=O)cc1F ZINC001465006611 1062941825 /nfs/dbraw/zinc/94/18/25/1062941825.db2.gz PGYCPCFJMQRASF-UHFFFAOYSA-N -1 1 364.446 2.819 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(C(F)F)nc2cnccn21 ZINC001472317178 1065013543 /nfs/dbraw/zinc/01/35/43/1065013543.db2.gz YINNVKUNDCYEIK-UHFFFAOYSA-N -1 1 352.728 2.956 20 10 FFCDMM C[C@H](NC(=O)c1ccc(S(=O)(=O)[N-]C(C)(C)C)o1)c1ccccc1O ZINC001557967545 1075919019 /nfs/dbraw/zinc/91/90/19/1075919019.db2.gz GMXSDTXBZUUNEE-NSHDSACASA-N -1 1 366.439 2.553 20 10 FFCDMM CN(CCc1nc(-c2ccccc2)no1)C(=O)c1c(F)ccc(O)c1[O-] ZINC001558980804 1076108928 /nfs/dbraw/zinc/10/89/28/1076108928.db2.gz QBKWOGANWHOIJP-UHFFFAOYSA-N -1 1 357.341 2.602 20 10 FFCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ncccc2[O-])cc1 ZINC000153698941 508628822 /nfs/dbraw/zinc/62/88/22/508628822.db2.gz NKUNHYDLOCSJDS-KRWDZBQOSA-N -1 1 355.438 2.675 20 10 FFCDMM CCCOc1ccc(C[NH+]2CCN([C@H](C)c3nc(C)no3)CC2)c(O)c1 ZINC000121317545 509165830 /nfs/dbraw/zinc/16/58/30/509165830.db2.gz SGNUOOWWVDFDMH-CQSZACIVSA-N -1 1 360.458 2.751 20 10 FFCDMM Cc1nn(C)cc1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277392225 510962010 /nfs/dbraw/zinc/96/20/10/510962010.db2.gz JENQYACEQHDEBB-VIFPVBQESA-N -1 1 367.247 2.757 20 10 FFCDMM Cc1cnccc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277832508 510973753 /nfs/dbraw/zinc/97/37/53/510973753.db2.gz XWUZUQJIRIEUOL-UHFFFAOYSA-N -1 1 364.243 2.900 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC[C@@H]1CCO ZINC000277850428 510975045 /nfs/dbraw/zinc/97/50/45/510975045.db2.gz ZKLFGBUVUZPYDP-MFKMUULPSA-N -1 1 357.248 2.505 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCC[C@H]1CCO ZINC000277850418 510975123 /nfs/dbraw/zinc/97/51/23/510975123.db2.gz ZKLFGBUVUZPYDP-GWCFXTLKSA-N -1 1 357.248 2.505 20 10 FFCDMM COc1cccc([C@H]2CN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CCO2)c1 ZINC000278138229 510983685 /nfs/dbraw/zinc/98/36/85/510983685.db2.gz AMDWXLQHNJXTDV-QGZVFWFLSA-N -1 1 374.393 2.891 20 10 FFCDMM Cc1cc(Br)c(O)c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1 ZINC000529682525 517282224 /nfs/dbraw/zinc/28/22/24/517282224.db2.gz VSRFEDCGPJFJOD-MTJIALIYSA-N -1 1 358.301 2.949 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccccc1F ZINC000739793615 600315857 /nfs/dbraw/zinc/31/58/57/600315857.db2.gz IIELGMQGWAFWHC-MRXNPFEDSA-N -1 1 353.777 2.805 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccccc1F ZINC000739793615 600315860 /nfs/dbraw/zinc/31/58/60/600315860.db2.gz IIELGMQGWAFWHC-MRXNPFEDSA-N -1 1 353.777 2.805 20 10 FFCDMM O=C([O-])CCN(Cc1cccc(F)c1F)Cc1cc2c(cc1O)OCO2 ZINC000833233243 600722157 /nfs/dbraw/zinc/72/21/57/600722157.db2.gz JZWPGKRSIRYKAM-UHFFFAOYSA-N -1 1 365.332 2.876 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)c1[O-] ZINC000823626715 604223595 /nfs/dbraw/zinc/22/35/95/604223595.db2.gz BEILBFSLOXFOPX-UHFFFAOYSA-N -1 1 350.390 2.841 20 10 FFCDMM O=C([O-])C[C@H]1CCC[N@@H+]1Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-] ZINC000833211149 604983675 /nfs/dbraw/zinc/98/36/75/604983675.db2.gz TZSVONATWMVTTJ-CQSZACIVSA-N -1 1 355.390 2.768 20 10 FFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000013463995 727816641 /nfs/dbraw/zinc/81/66/41/727816641.db2.gz FTRXMTPFGVXTBE-UHFFFAOYSA-N -1 1 361.297 2.910 20 10 FFCDMM Cn1cc(-c2nnc(NCc3cccc(Br)c3[O-])o2)cn1 ZINC000195020120 729527106 /nfs/dbraw/zinc/52/71/06/729527106.db2.gz JEFOLIMKPDFFIO-UHFFFAOYSA-N -1 1 350.176 2.550 20 10 FFCDMM C[C@H](NCc1cc(Br)cc(F)c1[O-])c1nnc2n1CCC2 ZINC000882886434 733308024 /nfs/dbraw/zinc/30/80/24/733308024.db2.gz UDYPUIRWQLBBFO-QMMMGPOBSA-N -1 1 355.211 2.682 20 10 FFCDMM CC(=O)N1Cc2ccccc2C[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757753 734336293 /nfs/dbraw/zinc/33/62/93/734336293.db2.gz KPFXIOHNKKCHBQ-KRWDZBQOSA-N -1 1 358.825 2.635 20 10 FFCDMM CCC[C@@H](CCCS(C)(=O)=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760071 734336647 /nfs/dbraw/zinc/33/66/47/734336647.db2.gz ZWGRFLRBQQBFIK-LBPRGKRZSA-N -1 1 361.891 2.903 20 10 FFCDMM CN(CCCC(=O)NCc1cccc(Cl)c1[O-])C(=O)c1ccncc1 ZINC000890762469 734337284 /nfs/dbraw/zinc/33/72/84/734337284.db2.gz DJDLOIMYVITEFU-UHFFFAOYSA-N -1 1 361.829 2.609 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC1CCN(CC(F)(F)F)CC1 ZINC000892422683 734557320 /nfs/dbraw/zinc/55/73/20/734557320.db2.gz FNKBLHQMHOVGCV-UHFFFAOYSA-N -1 1 365.783 2.872 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@@]2(CCSC2)C1 ZINC000893752044 734746629 /nfs/dbraw/zinc/74/66/29/734746629.db2.gz IYVWKDUZOGPYPC-WBMJQRKESA-N -1 1 356.875 2.900 20 10 FFCDMM COc1cc(NCc2cc(F)cc(F)c2[O-])ccc1S(=O)(=O)N(C)C ZINC000894430770 734856977 /nfs/dbraw/zinc/85/69/77/734856977.db2.gz DGPVKJIIWZXEMV-UHFFFAOYSA-N -1 1 372.393 2.541 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCCN1CC(F)(F)F ZINC000896663011 735178877 /nfs/dbraw/zinc/17/88/77/735178877.db2.gz FAONTRJMMUSXGE-NSHDSACASA-N -1 1 365.783 2.872 20 10 FFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](Cc1ccc(F)cc1)OC ZINC000901702638 735822791 /nfs/dbraw/zinc/82/27/91/735822791.db2.gz FXGKZFVONMLHMR-OAHLLOKOSA-N -1 1 369.414 2.539 20 10 FFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)C1(COCc2ccccc2)CC1 ZINC000901702934 735822878 /nfs/dbraw/zinc/82/28/78/735822878.db2.gz LGWGWNDVCHSAOZ-UHFFFAOYSA-N -1 1 363.435 2.892 20 10 FFCDMM C[C@H](NCc1nnc2n1CCC2)c1cc(Br)c(F)cc1[O-] ZINC000756390058 736327230 /nfs/dbraw/zinc/32/72/30/736327230.db2.gz FTAUZWFFMPAHOC-QMMMGPOBSA-N -1 1 355.211 2.682 20 10 FFCDMM CO[C@@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000908326326 736757789 /nfs/dbraw/zinc/75/77/89/736757789.db2.gz AEPIXYPMYVTJSE-HNNXBMFYSA-N -1 1 355.843 2.853 20 10 FFCDMM CO[C@@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC000908328551 736758593 /nfs/dbraw/zinc/75/85/93/736758593.db2.gz OBTWWPCEKBREHN-HNNXBMFYSA-N -1 1 373.833 2.992 20 10 FFCDMM O=S(=O)(Cc1noc2c1CCCC2)NCc1cccc(Cl)c1[O-] ZINC000908329565 736758875 /nfs/dbraw/zinc/75/88/75/736758875.db2.gz RPXQSAMJXLHGLM-UHFFFAOYSA-N -1 1 356.831 2.532 20 10 FFCDMM Cc1cccnc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765482845 737123102 /nfs/dbraw/zinc/12/31/02/737123102.db2.gz QVMCAVFYRJWYQI-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM Cn1nc2c(c1C(=O)NCc1cccc(Br)c1[O-])CCCC2 ZINC000765728691 737149607 /nfs/dbraw/zinc/14/96/07/737149607.db2.gz KHIFRIGYPLPTJS-UHFFFAOYSA-N -1 1 364.243 2.697 20 10 FFCDMM Cc1noc(Cl)c1CC(=O)NCc1cccc(Br)c1[O-] ZINC000765728662 737149656 /nfs/dbraw/zinc/14/96/56/737149656.db2.gz JCSRGKSWOMFZNY-UHFFFAOYSA-N -1 1 359.607 2.963 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3cccnc32)c1 ZINC000769615304 737546955 /nfs/dbraw/zinc/54/69/55/737546955.db2.gz PFNKIDKXYCJJSP-UHFFFAOYSA-N -1 1 357.391 2.564 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2cccc(C(F)(F)F)c2)C(=O)[N-]C1=S ZINC000920975035 737937345 /nfs/dbraw/zinc/93/73/45/737937345.db2.gz YHLCGHNKQQVSQY-KPKJPENVSA-N -1 1 371.384 2.901 20 10 FFCDMM CN(Cc1cc(Cl)cc(F)c1[O-])[C@H]1CCN(CC(F)(F)F)C1=O ZINC000775702492 738114903 /nfs/dbraw/zinc/11/49/03/738114903.db2.gz XNTRPHFSGZDGJN-NSHDSACASA-N -1 1 354.731 2.780 20 10 FFCDMM COc1cc(C)cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000787649630 739155080 /nfs/dbraw/zinc/15/50/80/739155080.db2.gz KOHIVMCTKOWNTD-UHFFFAOYSA-N -1 1 364.423 2.641 20 10 FFCDMM O=C(N[C@H]1CCN(c2cccc(Cl)c2)C1)c1c([O-])c(O)ccc1F ZINC000789993527 739403255 /nfs/dbraw/zinc/40/32/55/739403255.db2.gz YTMJBEWKDLGXEJ-NSHDSACASA-N -1 1 350.777 2.899 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(F)c(C(=O)OC)c1 ZINC000790416134 739450841 /nfs/dbraw/zinc/45/08/41/739450841.db2.gz RXQQLNGMCPZINP-UHFFFAOYSA-N -1 1 371.361 2.820 20 10 FFCDMM CCNc1cc(C)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000790976991 739520294 /nfs/dbraw/zinc/52/02/94/739520294.db2.gz DHCMHHRWHUNHKH-UHFFFAOYSA-N -1 1 363.439 2.756 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]([C@H]1CCOC1)C(F)(F)F ZINC000932982387 739548962 /nfs/dbraw/zinc/54/89/62/739548962.db2.gz JEGQOGBGBUVABU-JOYOIKCWSA-N -1 1 352.740 2.812 20 10 FFCDMM COc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)ccc1O ZINC000797819274 740275841 /nfs/dbraw/zinc/27/58/41/740275841.db2.gz CSDGCPFFZPLJML-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM Cc1nc2c(nccc2C(=O)NCc2cccc(Br)c2[O-])[nH]1 ZINC000798002242 740298261 /nfs/dbraw/zinc/29/82/61/740298261.db2.gz BIMMWKGAOJPAMR-UHFFFAOYSA-N -1 1 361.199 2.664 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C\c1ccccc1F ZINC000799925486 740464804 /nfs/dbraw/zinc/46/48/04/740464804.db2.gz SCVUAPBTAQMYMA-HJWRWDBZSA-N -1 1 351.355 2.731 20 10 FFCDMM CC(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000825873495 743337208 /nfs/dbraw/zinc/33/72/08/743337208.db2.gz KWQBGLZAHBHXNS-LLVKDONJSA-N -1 1 356.394 2.516 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1onc2c1CCCC2 ZINC000834476048 745846167 /nfs/dbraw/zinc/84/61/67/745846167.db2.gz LSOJNTJGJPGEFD-UHFFFAOYSA-N -1 1 351.200 2.952 20 10 FFCDMM CO[C@@H]([C@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000836644791 746274594 /nfs/dbraw/zinc/27/45/94/746274594.db2.gz VUFZAPPZIMOUTH-XPTSAGLGSA-N -1 1 357.248 2.767 20 10 FFCDMM C[C@H](NCc1ccccc1S(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840867677 747206597 /nfs/dbraw/zinc/20/65/97/747206597.db2.gz UHGRVIKEWJXJKM-NSHDSACASA-N -1 1 350.396 2.555 20 10 FFCDMM C[C@H](Cc1ccccn1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000848669898 748980724 /nfs/dbraw/zinc/98/07/24/748980724.db2.gz FNMKTJICSIIHBG-LLVKDONJSA-N -1 1 364.243 2.980 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NCC1SCCS1 ZINC000852668630 749918166 /nfs/dbraw/zinc/91/81/66/749918166.db2.gz HMZWIGAWEMFKEU-UHFFFAOYSA-N -1 1 363.302 2.760 20 10 FFCDMM O=S(=O)([N-]c1ccc(Br)cc1F)c1cccc2nonc21 ZINC000014255207 845027371 /nfs/dbraw/zinc/02/73/71/845027371.db2.gz YIMBRSKXXRYQQA-UHFFFAOYSA-N -1 1 372.175 2.925 20 10 FFCDMM C[C@@H](CCC(=O)OCC(=O)c1ccc([O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000784990795 961998537 /nfs/dbraw/zinc/99/85/37/961998537.db2.gz SHFPTVXTTBLMBY-NSHDSACASA-N -1 1 367.398 2.517 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000892435384 968690769 /nfs/dbraw/zinc/69/07/69/968690769.db2.gz NVGMACQDBCSPDR-MRXNPFEDSA-N -1 1 373.840 2.646 20 10 FFCDMM COc1c([O-])c(CN2CCn3c(cnc3C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000896931314 973034342 /nfs/dbraw/zinc/03/43/42/973034342.db2.gz INCKKTSFCAFRHD-UHFFFAOYSA-N -1 1 372.303 2.540 20 10 FFCDMM [O-]c1c(F)c(F)ccc1CN(CCO)Cc1cnn(Cc2ccccc2)c1 ZINC000876726831 1014366362 /nfs/dbraw/zinc/36/63/62/1014366362.db2.gz ACARKAZQPCNPNL-UHFFFAOYSA-N -1 1 373.403 2.910 20 10 FFCDMM O=C(Cc1ccsc1)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142530316 982611688 /nfs/dbraw/zinc/61/16/88/982611688.db2.gz CRZZQCWVZNUDPJ-UHFFFAOYSA-N -1 1 352.406 2.619 20 10 FFCDMM COc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1OC(C)C ZINC000916590792 989831852 /nfs/dbraw/zinc/83/18/52/989831852.db2.gz PIFRSXRSUBJEBF-UHFFFAOYSA-N -1 1 360.362 2.933 20 10 FFCDMM CC(C)([NH2+]Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])c1cc(C(=O)[O-])on1 ZINC001590871428 990778677 /nfs/dbraw/zinc/77/86/77/990778677.db2.gz UMAPUSSKMIXKQO-UHFFFAOYSA-N -1 1 355.734 2.665 20 10 FFCDMM COCCCOc1cc(C)ccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000826805402 1016083405 /nfs/dbraw/zinc/08/34/05/1016083405.db2.gz QHNYAYWBYHRXAU-UHFFFAOYSA-N -1 1 363.385 2.891 20 10 FFCDMM CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3O)CC[C@@H]21 ZINC001144308017 998304715 /nfs/dbraw/zinc/30/47/15/998304715.db2.gz GXPLWRJNWRGWBL-YGRLFVJLSA-N -1 1 371.250 2.737 20 10 FFCDMM Cc1nc(-c2ccccn2)sc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001147954826 1001014407 /nfs/dbraw/zinc/01/44/07/1001014407.db2.gz BFISSYOTOIYGPT-UHFFFAOYSA-N -1 1 369.402 2.537 20 10 FFCDMM COc1c([O-])c(CNCc2noc(-c3ccccc3C)n2)ccc1[N+](=O)[O-] ZINC000775074820 1003525985 /nfs/dbraw/zinc/52/59/85/1003525985.db2.gz NETIJNUVYVXRFD-UHFFFAOYSA-N -1 1 370.365 2.957 20 10 FFCDMM CCn1nnc(-c2ccccc2NC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193228997 1004429957 /nfs/dbraw/zinc/42/99/57/1004429957.db2.gz CANOMFGPQWBZIY-UHFFFAOYSA-N -1 1 359.773 2.677 20 10 FFCDMM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(F)c([O-])cc2F)c1 ZINC001193434567 1004486640 /nfs/dbraw/zinc/48/66/40/1004486640.db2.gz CFKAUXKHTPLOCB-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c1[O-] ZINC000853587156 1006459204 /nfs/dbraw/zinc/45/92/04/1006459204.db2.gz FRYYAZRCUNKIRM-JKSUJKDBSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H]3COC[C@H]3C2)c1[O-] ZINC000853587156 1006459207 /nfs/dbraw/zinc/45/92/07/1006459207.db2.gz FRYYAZRCUNKIRM-JKSUJKDBSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(COC(=O)c1cnc2c(F)ccc(F)c2c1)c1ccc([O-])c(O)c1 ZINC000815356368 1006582946 /nfs/dbraw/zinc/58/29/46/1006582946.db2.gz NMLBYJYKHZPUHC-UHFFFAOYSA-N -1 1 359.284 2.964 20 10 FFCDMM CN(C)c1ccc(N=Nc2cccc(C(=O)NCc3nn[n-]n3)c2)cc1 ZINC001190974752 1007856103 /nfs/dbraw/zinc/85/61/03/1007856103.db2.gz RAUJYNDDCRYMFT-UHFFFAOYSA-N -1 1 350.386 2.611 20 10 FFCDMM COc1ccc(N2CCN(C(=O)c3c(C)nc(C(C)C)[n-]c3=O)CC2)cc1 ZINC000887509595 1009262828 /nfs/dbraw/zinc/26/28/28/1009262828.db2.gz GKWVRDPOCMWZAS-UHFFFAOYSA-N -1 1 370.453 2.585 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1nn(-c2ccc(F)cc2)ccc1=O ZINC001180410218 1009684407 /nfs/dbraw/zinc/68/44/07/1009684407.db2.gz MSCUISXJDIDLOP-UHFFFAOYSA-N -1 1 373.771 2.661 20 10 FFCDMM [O-]c1cccc(F)c1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001137838761 1033181700 /nfs/dbraw/zinc/18/17/00/1033181700.db2.gz JZYZVVNRBQWUOU-UHFFFAOYSA-N -1 1 356.376 2.869 20 10 FFCDMM [O-]c1cccc(F)c1CN1CCn2c(CCc3ccccc3)nnc2C1 ZINC001137841773 1033188106 /nfs/dbraw/zinc/18/81/06/1033188106.db2.gz UIUPTZNSJIQBER-UHFFFAOYSA-N -1 1 352.413 2.924 20 10 FFCDMM CC(C)(C)OC(=O)Nc1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001159276874 1027333821 /nfs/dbraw/zinc/33/38/21/1027333821.db2.gz NZQMKSVOPIZRTI-UHFFFAOYSA-N -1 1 360.370 2.530 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001153001737 1027742727 /nfs/dbraw/zinc/74/27/27/1027742727.db2.gz NZPCEJFSJPDYSQ-INIZCTEOSA-N -1 1 364.453 2.854 20 10 FFCDMM Cc1cc2c(cccc2NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)nn1 ZINC001155228090 1028634768 /nfs/dbraw/zinc/63/47/68/1028634768.db2.gz JRDLFYUOVPKKQW-UHFFFAOYSA-N -1 1 363.329 2.708 20 10 FFCDMM C[C@H]1C(=O)CCN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)C12CCCC2 ZINC001155228790 1028635244 /nfs/dbraw/zinc/63/52/44/1028635244.db2.gz XFMCVVGPVFGLGP-NSHDSACASA-N -1 1 371.389 2.568 20 10 FFCDMM O=C(NC[C@@H]1CCc2ccccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235239 1028641602 /nfs/dbraw/zinc/64/16/02/1028641602.db2.gz JHQIZENVLKOJME-LBPRGKRZSA-N -1 1 351.358 2.664 20 10 FFCDMM Cc1ccnn1-c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782550620 1029742644 /nfs/dbraw/zinc/74/26/44/1029742644.db2.gz WLBDQWSWBRKROO-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC(F)F ZINC000782965364 1029866857 /nfs/dbraw/zinc/86/68/57/1029866857.db2.gz XZVVMURQOBVKIC-UHFFFAOYSA-N -1 1 368.288 2.748 20 10 FFCDMM CC(C)(C)n1nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1C1CC1 ZINC000783027487 1029882051 /nfs/dbraw/zinc/88/20/51/1029882051.db2.gz ZATPYPPQBYFVKI-UHFFFAOYSA-N -1 1 358.394 2.966 20 10 FFCDMM COc1ccc(CN[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998164 1029967641 /nfs/dbraw/zinc/96/76/41/1029967641.db2.gz OVWKFYHHHKOSBA-MJGOQNOKSA-N -1 1 368.433 2.520 20 10 FFCDMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2c([O-])cccc2Cl)C1=O ZINC000840998155 1029967748 /nfs/dbraw/zinc/96/77/48/1029967748.db2.gz OHALYZIFROCJRF-DOTOQJQBSA-N -1 1 374.824 2.562 20 10 FFCDMM O=C(COC(=O)c1ccc([N+](=O)[O-])c2cccnc12)c1ccc([O-])c(O)c1 ZINC000784468284 1030635872 /nfs/dbraw/zinc/63/58/72/1030635872.db2.gz PYRROWCHKUIEDW-UHFFFAOYSA-N -1 1 368.301 2.594 20 10 FFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000784696762 1030762802 /nfs/dbraw/zinc/76/28/02/1030762802.db2.gz TXDMRKLPITYJOE-VIFPVBQESA-N -1 1 363.297 2.675 20 10 FFCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OCC2CC2)c1 ZINC000784896150 1030869403 /nfs/dbraw/zinc/86/94/03/1030869403.db2.gz PTNDYXXNLBWRMH-UHFFFAOYSA-N -1 1 372.373 2.935 20 10 FFCDMM NC(=O)c1ccc(OC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)cc1 ZINC001139686141 1035198123 /nfs/dbraw/zinc/19/81/23/1035198123.db2.gz OVVCNUOFRXFNDR-UHFFFAOYSA-N -1 1 362.376 2.813 20 10 FFCDMM COc1ccnc(OC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)n1 ZINC001139690369 1035198740 /nfs/dbraw/zinc/19/87/40/1035198740.db2.gz WECPLDSRVDSQBC-UHFFFAOYSA-N -1 1 351.353 2.512 20 10 FFCDMM COc1ccnc(O[C@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139690325 1035198858 /nfs/dbraw/zinc/19/88/58/1035198858.db2.gz UJJBDLXXCAKDSC-NSHDSACASA-N -1 1 351.353 2.512 20 10 FFCDMM CC(C)(C)OC(=O)N1CC2(C1)COCCN2Cc1c([O-])cccc1Cl ZINC001140338141 1035442970 /nfs/dbraw/zinc/44/29/70/1035442970.db2.gz WSTDDTTWGZFSQJ-UHFFFAOYSA-N -1 1 368.861 2.867 20 10 FFCDMM CCOC(=O)C1CC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227579962 1035616487 /nfs/dbraw/zinc/61/64/87/1035616487.db2.gz CJPRLDZYXCNHKC-UHFFFAOYSA-N -1 1 366.369 2.888 20 10 FFCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCO[C@H]4C[C@H]43)c2)nc1C ZINC001232453379 1035696946 /nfs/dbraw/zinc/69/69/46/1035696946.db2.gz ADRJLYLFBFUZSZ-ZBFHGGJFSA-N -1 1 374.462 2.974 20 10 FFCDMM CO[C@H](C)COc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228194350 1035985536 /nfs/dbraw/zinc/98/55/36/1035985536.db2.gz PVTPEQBBFFKNRC-HWPZZCPQSA-N -1 1 360.362 2.924 20 10 FFCDMM C[C@H]1C[C@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001229197092 1036547142 /nfs/dbraw/zinc/54/71/42/1036547142.db2.gz MSVZSJFCEHTTJA-WDEREUQCSA-N -1 1 354.358 2.820 20 10 FFCDMM CCCCN1C[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387638 1036677217 /nfs/dbraw/zinc/67/72/17/1036677217.db2.gz NBZHLFBAUFXAED-GOSISDBHSA-N -1 1 370.852 2.788 20 10 FFCDMM CC(=O)N(C)C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235305705 1037464676 /nfs/dbraw/zinc/46/46/76/1037464676.db2.gz PLELFKDHJADQJT-UHFFFAOYSA-N -1 1 359.239 2.737 20 10 FFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452079 1037592166 /nfs/dbraw/zinc/59/21/66/1037592166.db2.gz CYOJDMOJVMCKHB-CYBMUJFWSA-N -1 1 364.442 2.779 20 10 FFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452079 1037592170 /nfs/dbraw/zinc/59/21/70/1037592170.db2.gz CYOJDMOJVMCKHB-CYBMUJFWSA-N -1 1 364.442 2.779 20 10 FFCDMM CC[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001231452032 1037592333 /nfs/dbraw/zinc/59/23/33/1037592333.db2.gz BBOWMPMNCOFPBR-HNNXBMFYSA-N -1 1 364.442 2.922 20 10 FFCDMM CCC[C@@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(C(=O)[O-])ccc1O ZINC001231566522 1037691190 /nfs/dbraw/zinc/69/11/90/1037691190.db2.gz NRTMGEYDXJIXRS-INIZCTEOSA-N -1 1 367.442 2.661 20 10 FFCDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccccc1OCC(=O)[O-] ZINC001231792072 1037913733 /nfs/dbraw/zinc/91/37/33/1037913733.db2.gz JQVHMWFWCABWOQ-UHFFFAOYSA-N -1 1 370.449 2.619 20 10 FFCDMM CCNC(=O)COC1CC[NH+](Cc2cc(Cl)c(Cl)cc2O)CC1 ZINC001236805225 1038280288 /nfs/dbraw/zinc/28/02/88/1038280288.db2.gz XSTKRFRKDNWMLG-UHFFFAOYSA-N -1 1 361.269 2.816 20 10 FFCDMM O=C1COCC2(CN(Cc3c([O-])ccc(F)c3Cl)C2)N1C1CCCC1 ZINC001278022901 1038327839 /nfs/dbraw/zinc/32/78/39/1038327839.db2.gz CRIUJUJPSIIUOL-UHFFFAOYSA-N -1 1 368.836 2.541 20 10 FFCDMM Cc1ncsc1CN1CCC12CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279487863 1043172241 /nfs/dbraw/zinc/17/22/41/1043172241.db2.gz FHONJSXKQQUXTG-UHFFFAOYSA-N -1 1 351.422 2.896 20 10 FFCDMM COc1cnc(O[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC001237623635 1043280436 /nfs/dbraw/zinc/28/04/36/1043280436.db2.gz RSRGTXBNVLMSTQ-LBPRGKRZSA-N -1 1 353.781 2.637 20 10 FFCDMM Cc1ncc2n1CCN(Cc1cccc(I)c1[O-])C2 ZINC001237778564 1043353889 /nfs/dbraw/zinc/35/38/89/1043353889.db2.gz YATLXKKLAZGYJY-UHFFFAOYSA-N -1 1 369.206 2.518 20 10 FFCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1)C1CCOCC1 ZINC001237802050 1043365493 /nfs/dbraw/zinc/36/54/93/1043365493.db2.gz KMBJPLKYQFMTBE-OAHLLOKOSA-N -1 1 370.852 2.692 20 10 FFCDMM CC1(C)CCc2[nH]c(=O)c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2C1 ZINC001324776155 1046219198 /nfs/dbraw/zinc/21/91/98/1046219198.db2.gz LLJOHABPQXAZRI-UHFFFAOYSA-N -1 1 371.389 2.753 20 10 FFCDMM O=C([O-])C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C1CCOCC1 ZINC001335467036 1053381494 /nfs/dbraw/zinc/38/14/94/1053381494.db2.gz WNAAULOFXPGLJX-CYBMUJFWSA-N -1 1 358.232 2.514 20 10 FFCDMM COc1ccc(-n2cc(C(=O)[N-]c3c4nonc4ccc3Cl)nn2)cc1 ZINC001543806514 1071548461 /nfs/dbraw/zinc/54/84/61/1071548461.db2.gz ZRGDHKXPMSVQIK-UHFFFAOYSA-N -1 1 370.756 2.718 20 10 FFCDMM Cc1sc([C@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1C(=O)[O-] ZINC001355416702 1060224369 /nfs/dbraw/zinc/22/43/69/1060224369.db2.gz LMTPHNPOSQIPNY-ZDUSSCGKSA-N -1 1 374.510 2.752 20 10 FFCDMM O=C([O-])CC[N@H+](Cc1ccc(Br)cc1O)C1CCOCC1 ZINC001574710111 1078068688 /nfs/dbraw/zinc/06/86/88/1078068688.db2.gz YRYHKJGMHGOEFS-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM O=C([O-])CC[N@H+](Cc1ccc(Br)cc1[O-])C1CCOCC1 ZINC001574710111 1078068692 /nfs/dbraw/zinc/06/86/92/1078068692.db2.gz YRYHKJGMHGOEFS-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM O=C([O-])CC[N@@H+](Cc1ccc(Br)cc1[O-])C1CCOCC1 ZINC001574710111 1078068694 /nfs/dbraw/zinc/06/86/94/1078068694.db2.gz YRYHKJGMHGOEFS-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM COc1ccc(CCNC(=O)c2c(F)ccc(O)c2[O-])cc1OC(F)F ZINC001472500870 1065082451 /nfs/dbraw/zinc/08/24/51/1065082451.db2.gz QBWLQMAJCYAZRU-UHFFFAOYSA-N -1 1 371.311 2.819 20 10 FFCDMM O=c1[nH]c(NCc2c([O-])cccc2F)nc2c1cnn2-c1ccccc1 ZINC001472883315 1065166980 /nfs/dbraw/zinc/16/69/80/1065166980.db2.gz PBZFOSCBWRLPJH-UHFFFAOYSA-N -1 1 351.341 2.978 20 10 FFCDMM COc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1-c1nn[nH]n1 ZINC001580039812 1078736606 /nfs/dbraw/zinc/73/66/06/1078736606.db2.gz CALMCCHLXJHNDB-UHFFFAOYSA-N -1 1 374.788 2.556 20 10 FFCDMM C[C@@H](Nc1ccc(N2CCCC2)nc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589981169 1080920182 /nfs/dbraw/zinc/92/01/82/1080920182.db2.gz JYLFNBFDPLSDSZ-GFCCVEGCSA-N -1 1 351.414 2.741 20 10 FFCDMM C[C@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000094017538 508163695 /nfs/dbraw/zinc/16/36/95/508163695.db2.gz KNDHZSCCYCGXQE-LBPRGKRZSA-N -1 1 360.435 2.918 20 10 FFCDMM CCN(C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1)CC(F)(F)F ZINC000276512720 510940617 /nfs/dbraw/zinc/94/06/17/510940617.db2.gz FCSDZTXXESTWID-SNVBAGLBSA-N -1 1 364.339 2.583 20 10 FFCDMM C[C@@H](O)CC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277752911 510972251 /nfs/dbraw/zinc/97/22/51/510972251.db2.gz NQNLRDLEHKGOCQ-SNVBAGLBSA-N -1 1 359.264 2.751 20 10 FFCDMM Cc1nn(C)c(C)c1NC(=O)NCc1cccc(Br)c1[O-] ZINC000277914043 510976302 /nfs/dbraw/zinc/97/63/02/510976302.db2.gz DMKJYGXHQVOKOX-UHFFFAOYSA-N -1 1 353.220 2.827 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000278186616 510983255 /nfs/dbraw/zinc/98/32/55/510983255.db2.gz RGVZHTNEJQBZBY-UHFFFAOYSA-N -1 1 367.452 2.740 20 10 FFCDMM CS(=O)(=O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000282754347 511098122 /nfs/dbraw/zinc/09/81/22/511098122.db2.gz OKBSADYIPUSZGN-SFHVURJKSA-N -1 1 361.463 2.590 20 10 FFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc2n[n-]c(=S)n2c1 ZINC000282893065 511151456 /nfs/dbraw/zinc/15/14/56/511151456.db2.gz CEZPMYSNOXSKAH-UHFFFAOYSA-N -1 1 355.467 2.746 20 10 FFCDMM COc1cc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc(OC)c1OC ZINC000294876210 511206313 /nfs/dbraw/zinc/20/63/13/511206313.db2.gz PPPQBFNHRFQLMB-VIFPVBQESA-N -1 1 365.357 2.754 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000295833300 511529871 /nfs/dbraw/zinc/52/98/71/511529871.db2.gz ABLIEYRYYFDPOU-VIFPVBQESA-N -1 1 355.316 2.838 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN[C@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000372920520 513102773 /nfs/dbraw/zinc/10/27/73/513102773.db2.gz HCEBSBSLQVBWRY-AWEZNQCLSA-N -1 1 359.773 2.951 20 10 FFCDMM Cc1ccc(-n2nnnc2SCC(=O)c2ccc([O-])c(O)c2)c(C)c1 ZINC000004768163 727778929 /nfs/dbraw/zinc/77/89/29/727778929.db2.gz IYLKMECBFRNKRR-UHFFFAOYSA-N -1 1 356.407 2.665 20 10 FFCDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc(F)cc1 ZINC000093920322 728478652 /nfs/dbraw/zinc/47/86/52/728478652.db2.gz OYEKXWWOXVCRFH-UHFFFAOYSA-N -1 1 352.387 2.570 20 10 FFCDMM NC(=O)c1cc(F)ccc1N1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC000857067424 730377151 /nfs/dbraw/zinc/37/71/51/730377151.db2.gz LMUIYMZIRKQFDT-UHFFFAOYSA-N -1 1 363.820 2.606 20 10 FFCDMM O=C([O-])c1ccc2c(C=C3SC(N4CCCCC4)=NC3=O)[nH]nc2c1 ZINC000765499235 737125350 /nfs/dbraw/zinc/12/53/50/737125350.db2.gz CNNPFEQNVFCBIC-NTEUORMPSA-N -1 1 356.407 2.717 20 10 FFCDMM CN(C)C(=O)O[C@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862383276 730694928 /nfs/dbraw/zinc/69/49/28/730694928.db2.gz OVZZMXJXZIMOEM-NSHDSACASA-N -1 1 357.248 2.817 20 10 FFCDMM COC(=O)[C@@H]1C[C@@H](OC)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781922346 738673498 /nfs/dbraw/zinc/67/34/98/738673498.db2.gz XRDVAIPUPMHKCD-JSGCOSHPSA-N -1 1 372.259 2.616 20 10 FFCDMM O=S1(=O)CCCN1c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000882907937 733310099 /nfs/dbraw/zinc/31/00/99/733310099.db2.gz WGOVZWIMULSVPE-UHFFFAOYSA-N -1 1 354.378 2.822 20 10 FFCDMM CC(C)Oc1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC000783087244 738778084 /nfs/dbraw/zinc/77/80/84/738778084.db2.gz SQADXFRSSJMMAB-UHFFFAOYSA-N -1 1 365.769 2.973 20 10 FFCDMM COc1ccc(CN2CC[C@@H]2C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890761025 734336641 /nfs/dbraw/zinc/33/66/41/734336641.db2.gz IQTZKJZLYMJPNU-QGZVFWFLSA-N -1 1 360.841 2.945 20 10 FFCDMM CO[C@@H](CNC(=O)OC(C)(C)C)CC(=O)NCc1cccc(Cl)c1[O-] ZINC000890759855 734336810 /nfs/dbraw/zinc/33/68/10/734336810.db2.gz SIJHKHCTVQMXHU-GFCCVEGCSA-N -1 1 372.849 2.592 20 10 FFCDMM CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760805 734336941 /nfs/dbraw/zinc/33/69/41/734336941.db2.gz ZJFRUHXDOVGIGW-WFASDCNBSA-N -1 1 367.877 2.882 20 10 FFCDMM O=C(COC(=O)c1cnc(-c2ccccn2)s1)c1ccc([O-])c(O)c1 ZINC000783441688 738806566 /nfs/dbraw/zinc/80/65/66/738806566.db2.gz SSDYGRLPKHRPGA-UHFFFAOYSA-N -1 1 356.359 2.656 20 10 FFCDMM O=C(C[C@H](O)c1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784000983 738854443 /nfs/dbraw/zinc/85/44/43/738854443.db2.gz XQERVZAZIKBYEC-AWEZNQCLSA-N -1 1 350.754 2.601 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897198829 735205632 /nfs/dbraw/zinc/20/56/32/735205632.db2.gz BZIUVZWRKXLALJ-OCCSQVGLSA-N -1 1 369.259 2.912 20 10 FFCDMM CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)s1 ZINC000758169247 736457814 /nfs/dbraw/zinc/45/78/14/736457814.db2.gz MYYMPHLDRYPHSM-QMMMGPOBSA-N -1 1 358.416 2.591 20 10 FFCDMM Cc1ncc(CCNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000764798135 737050435 /nfs/dbraw/zinc/05/04/35/737050435.db2.gz AIHFJHMRWGXGBN-UHFFFAOYSA-N -1 1 370.272 2.962 20 10 FFCDMM O=C(CSc1ccc(C(=O)N2CCCC2)cn1)c1ccc([O-])c(O)c1 ZINC000913613409 737423578 /nfs/dbraw/zinc/42/35/78/737423578.db2.gz XECUTPFXPWDTRF-UHFFFAOYSA-N -1 1 358.419 2.704 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccncc32)c1 ZINC000769982704 737588017 /nfs/dbraw/zinc/58/80/17/737588017.db2.gz RBJVRDWFHQLHRN-UHFFFAOYSA-N -1 1 357.391 2.564 20 10 FFCDMM O=C(CSc1nc2ccccc2o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916601544 737714356 /nfs/dbraw/zinc/71/43/56/737714356.db2.gz YEAWJPFLRBHFRS-UHFFFAOYSA-N -1 1 359.359 2.757 20 10 FFCDMM Cc1nc2ccc(NC=C3C(=O)[N-]C(=S)N(CC(C)C)C3=O)cc2s1 ZINC000920977577 737937486 /nfs/dbraw/zinc/93/74/86/737937486.db2.gz CVTGECBCMRFSSR-KPKJPENVSA-N -1 1 374.491 2.800 20 10 FFCDMM COCCN(Cc1ccnn1C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000786236052 739036083 /nfs/dbraw/zinc/03/60/83/739036083.db2.gz OMCGNNMAISNWKQ-UHFFFAOYSA-N -1 1 351.834 2.630 20 10 FFCDMM Cn1cc([C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C(F)(F)F)cn1 ZINC000931099885 739212218 /nfs/dbraw/zinc/21/22/18/739212218.db2.gz IEBFCMFVEQVOBI-GFCCVEGCSA-N -1 1 362.739 2.882 20 10 FFCDMM C[C@H]1C[C@H](O)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270273 739226106 /nfs/dbraw/zinc/22/61/06/739226106.db2.gz QTAHOWZKDSDAGT-XVKPBYJWSA-N -1 1 365.065 2.872 20 10 FFCDMM COC(=O)[C@@H](CC(F)F)NCc1cc(C)cc(Br)c1[O-] ZINC000789578538 739369779 /nfs/dbraw/zinc/36/97/79/739369779.db2.gz BLWJUZUILZHHQE-SNVBAGLBSA-N -1 1 352.175 2.750 20 10 FFCDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797820081 740275949 /nfs/dbraw/zinc/27/59/49/740275949.db2.gz FJHZPCLLNPDPQW-UHFFFAOYSA-N -1 1 369.370 2.517 20 10 FFCDMM CC[C@@](O)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Cl)c1 ZINC000800322794 740513172 /nfs/dbraw/zinc/51/31/72/740513172.db2.gz XIVUHJIXOVCHPG-SFHVURJKSA-N -1 1 364.781 2.775 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(F)cc3F)no2)c1 ZINC000815701355 741954349 /nfs/dbraw/zinc/95/43/49/741954349.db2.gz MHHDMUPQMVGZOH-UHFFFAOYSA-N -1 1 367.333 2.759 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124876 743214136 /nfs/dbraw/zinc/21/41/36/743214136.db2.gz ZZOUDRCZUDBZMJ-JMCQJSRRSA-N -1 1 354.712 2.699 20 10 FFCDMM CCOC(=O)c1sc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])nc1C ZINC000826854634 743456834 /nfs/dbraw/zinc/45/68/34/743456834.db2.gz OOKKISUCUCARJW-QMMMGPOBSA-N -1 1 368.386 2.670 20 10 FFCDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc(F)ccc3F)C2)cc1 ZINC000849415717 749142840 /nfs/dbraw/zinc/14/28/40/749142840.db2.gz FUCWUABUQYXKPC-CYBMUJFWSA-N -1 1 368.405 2.531 20 10 FFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1C ZINC000055668562 845336516 /nfs/dbraw/zinc/33/65/16/845336516.db2.gz KWMUOBCCMNLMRQ-UHFFFAOYSA-N -1 1 372.443 2.697 20 10 FFCDMM O=C([O-])C1CC2(C1)CC[C@@H](C[NH2+]Cc1c([O-])cccc1Br)O2 ZINC001594906650 954681959 /nfs/dbraw/zinc/68/19/59/954681959.db2.gz YSLQGEIXJMSKAG-CSJGVYOVSA-N -1 1 370.243 2.657 20 10 FFCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1[N+](=O)[O-] ZINC000796444650 1014895301 /nfs/dbraw/zinc/89/53/01/1014895301.db2.gz VZXBVQDGGJWZBG-UHFFFAOYSA-N -1 1 359.334 2.710 20 10 FFCDMM CC(C)CN1C(=O)C(=CNCCc2ccc(C(C)C)cc2)C(=O)[N-]C1=S ZINC000920980702 990948197 /nfs/dbraw/zinc/94/81/97/990948197.db2.gz XADDUHZDYKZNRQ-BOPFTXTBSA-N -1 1 373.522 2.725 20 10 FFCDMM CCC(CC)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)OC(C)(C)C ZINC000845428965 998534789 /nfs/dbraw/zinc/53/47/89/998534789.db2.gz TUVQXJRFPJGWKH-UHFFFAOYSA-N -1 1 366.410 2.972 20 10 FFCDMM COc1cccc(C(=O)C(F)(F)F)c1NC(=O)c1cc(O)c([O-])c(O)c1 ZINC001148586369 1001175485 /nfs/dbraw/zinc/17/54/85/1001175485.db2.gz LQMDHQVBZKXEDJ-UHFFFAOYSA-N -1 1 371.267 2.809 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(C)C[C@@H]3CC3(C)C)cc12 ZINC001184359345 1002568132 /nfs/dbraw/zinc/56/81/32/1002568132.db2.gz NQNWJVRNCRZOSE-HNNXBMFYSA-N -1 1 372.465 2.743 20 10 FFCDMM CCOC(=O)c1cc2ccncc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316241 1003105771 /nfs/dbraw/zinc/10/57/71/1003105771.db2.gz CZFZDXSUEJCGFH-UHFFFAOYSA-N -1 1 367.361 2.513 20 10 FFCDMM O=S(=O)([N-]c1ccc(O)c(F)c1F)c1c(Cl)nc2sccn21 ZINC001187127374 1003576488 /nfs/dbraw/zinc/57/64/88/1003576488.db2.gz SGFZDSSVVUFLTG-UHFFFAOYSA-N -1 1 365.770 2.834 20 10 FFCDMM CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001191452069 1003811141 /nfs/dbraw/zinc/81/11/41/1003811141.db2.gz UTEMVCOBXURCBR-UHFFFAOYSA-N -1 1 357.334 2.648 20 10 FFCDMM O=C(CNC(=O)c1ccnc(Cl)c1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001197797966 1004366979 /nfs/dbraw/zinc/36/69/79/1004366979.db2.gz UMCIIQIBZPRBQB-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM CC(C)(C)OC(=O)O[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193209984 1004403312 /nfs/dbraw/zinc/40/33/12/1004403312.db2.gz SFVRZBYHHFRGOU-SECBINFHSA-N -1 1 357.790 2.917 20 10 FFCDMM COc1ccc(Cl)cc1NC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001187936873 1006331312 /nfs/dbraw/zinc/33/13/12/1006331312.db2.gz AEIVFJUPNVDAHQ-UHFFFAOYSA-N -1 1 350.758 2.764 20 10 FFCDMM O=C(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCC[C@@H](O)C1 ZINC000883060300 1006625104 /nfs/dbraw/zinc/62/51/04/1006625104.db2.gz GIJYYDHDYABHDJ-MRXNPFEDSA-N -1 1 362.376 2.879 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000825553883 1008394509 /nfs/dbraw/zinc/39/45/09/1008394509.db2.gz FIHRBGNRXVCMPD-LBPRGKRZSA-N -1 1 360.385 2.565 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(Br)c[nH]c1=O ZINC001180419647 1009687774 /nfs/dbraw/zinc/68/77/74/1009687774.db2.gz BXHBGRCXGREJRF-UHFFFAOYSA-N -1 1 357.591 2.839 20 10 FFCDMM COc1ccc(N2CCN(C(=O)c3ccc([O-])cc3F)CC2)c(OC)c1 ZINC000870165270 1012229213 /nfs/dbraw/zinc/22/92/13/1012229213.db2.gz SALIAEWSQCWHNY-UHFFFAOYSA-N -1 1 360.385 2.511 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c(OC3CCC(O)CC3)cc([O-])c(O)c21 ZINC001218367352 1033125583 /nfs/dbraw/zinc/12/55/83/1033125583.db2.gz PHHSKUZCWQPSGH-UHFFFAOYSA-N -1 1 354.358 2.556 20 10 FFCDMM COC(=O)[C@@H]1C[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C ZINC000755928840 1023651428 /nfs/dbraw/zinc/65/14/28/1023651428.db2.gz DILQTROEZWNQQG-CZUORRHYSA-N -1 1 369.417 2.570 20 10 FFCDMM COC(=O)[C@@H]1C[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C ZINC000755928840 1023651432 /nfs/dbraw/zinc/65/14/32/1023651432.db2.gz DILQTROEZWNQQG-CZUORRHYSA-N -1 1 369.417 2.570 20 10 FFCDMM COC(=O)[C@@H]1C[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C[C@H]1C ZINC000755928840 1023651440 /nfs/dbraw/zinc/65/14/40/1023651440.db2.gz DILQTROEZWNQQG-CZUORRHYSA-N -1 1 369.417 2.570 20 10 FFCDMM CCOC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncc1Cl ZINC001159273759 1027333482 /nfs/dbraw/zinc/33/34/82/1027333482.db2.gz ZUEYBJNVWAFEBD-UHFFFAOYSA-N -1 1 350.758 2.618 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCC(c2ccccn2)CC1 ZINC001155224201 1028631813 /nfs/dbraw/zinc/63/18/13/1028631813.db2.gz BPHYHJZBFGCCGM-UHFFFAOYSA-N -1 1 366.373 2.619 20 10 FFCDMM COc1ccccc1CCN(C)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155225349 1028633468 /nfs/dbraw/zinc/63/34/68/1028633468.db2.gz KTZRBKWXCVOPMN-UHFFFAOYSA-N -1 1 369.373 2.528 20 10 FFCDMM CC(C)(CNC(=O)c1cc2cc(O)c([O-])cc2oc1=O)CC(F)(F)F ZINC001155235412 1028641309 /nfs/dbraw/zinc/64/13/09/1028641309.db2.gz NOBBTLWFZBDQPE-UHFFFAOYSA-N -1 1 359.300 2.913 20 10 FFCDMM O=C(COC(=O)c1cccc(OC[C@H]2CCCO2)c1)c1ccc([O-])c(O)c1 ZINC000782053684 1029546308 /nfs/dbraw/zinc/54/63/08/1029546308.db2.gz VTVKWLCNQKWHSD-MRXNPFEDSA-N -1 1 372.373 2.695 20 10 FFCDMM O=C(COC(=O)c1cnn(-c2ccc(Cl)cc2)c1)c1ccc([O-])c(O)c1 ZINC000783040942 1029883176 /nfs/dbraw/zinc/88/31/76/1029883176.db2.gz ZGJRKPHBUVXBIG-UHFFFAOYSA-N -1 1 372.764 2.977 20 10 FFCDMM COCCN(CC(=O)[O-])Cc1ccc2c(c1)CCN2Cc1ccccc1 ZINC000840995515 1029967531 /nfs/dbraw/zinc/96/75/31/1029967531.db2.gz QTMWOFOQXHVHNE-UHFFFAOYSA-N -1 1 354.450 2.782 20 10 FFCDMM Cc1nn(-c2ccccc2)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783377343 1030064370 /nfs/dbraw/zinc/06/43/70/1030064370.db2.gz JEWYOTVIZZOUIN-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM CC(C)C(=O)N1CCC[C@]2(CN(Cc3cc(F)c(F)cc3[O-])CCO2)C1 ZINC001142517265 1030565932 /nfs/dbraw/zinc/56/59/32/1030565932.db2.gz GYDSXZWEAMLGFZ-IBGZPJMESA-N -1 1 368.424 2.520 20 10 FFCDMM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3c([O-])ccc(F)c3F)C[C@@]2(F)C1=O ZINC001277097884 1034519103 /nfs/dbraw/zinc/51/91/03/1034519103.db2.gz MEPCGNXXSYXOLO-GPNNCHTKSA-N -1 1 360.351 2.543 20 10 FFCDMM COC[C@@H]1Cn2nccc2C[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140100814 1035341733 /nfs/dbraw/zinc/34/17/33/1035341733.db2.gz CWBXOFMQODRIFQ-LBPRGKRZSA-N -1 1 366.259 2.630 20 10 FFCDMM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4c([O-])cc(F)cc4F)C[C@H]3O2)n1 ZINC001140581106 1035661026 /nfs/dbraw/zinc/66/10/26/1035661026.db2.gz LUFFFGDAGKXQBJ-CIISACIHSA-N -1 1 351.353 2.714 20 10 FFCDMM Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3c([O-])cc(F)cc3F)O2)n1 ZINC001140581701 1035662428 /nfs/dbraw/zinc/66/24/28/1035662428.db2.gz YAUAGUFXHYLAMT-FVQBIDKESA-N -1 1 351.353 2.856 20 10 FFCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1cncnc1 ZINC001228110669 1035937860 /nfs/dbraw/zinc/93/78/60/1035937860.db2.gz LOADIMMEBBPWOX-LLVKDONJSA-N -1 1 352.346 2.964 20 10 FFCDMM CC(C)(C)N1CC(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C1 ZINC001228116170 1035941623 /nfs/dbraw/zinc/94/16/23/1035941623.db2.gz VIJARGOYIPDQRJ-UHFFFAOYSA-N -1 1 357.406 2.896 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001233030879 1036271251 /nfs/dbraw/zinc/27/12/51/1036271251.db2.gz QQBSMGVTPNNIJP-ZDUSSCGKSA-N -1 1 373.266 2.590 20 10 FFCDMM Cc1noc([C@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)c(F)c3[O-])O2)n1 ZINC001233074491 1036320999 /nfs/dbraw/zinc/32/09/99/1036320999.db2.gz JINOMOLHAPEOEN-MGPQQGTHSA-N -1 1 351.353 2.856 20 10 FFCDMM Cc1noc([C@H]2C[C@@H]3CC[N@@H+](Cc4ccc(F)c(F)c4[O-])C[C@H]3O2)n1 ZINC001233075215 1036321140 /nfs/dbraw/zinc/32/11/40/1036321140.db2.gz SQCRYSTWIRBYNJ-ZLKJLUDKSA-N -1 1 351.353 2.714 20 10 FFCDMM Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc(F)c(F)c4[O-])C[C@H]3O2)n1 ZINC001233075215 1036321161 /nfs/dbraw/zinc/32/11/61/1036321161.db2.gz SQCRYSTWIRBYNJ-ZLKJLUDKSA-N -1 1 351.353 2.714 20 10 FFCDMM CC(=O)N1CCC2(CC1)CN(Cc1cccc(C(F)(F)F)c1[O-])CCO2 ZINC001233417518 1036611074 /nfs/dbraw/zinc/61/10/74/1036611074.db2.gz XEYCYFNCMJTTGZ-UHFFFAOYSA-N -1 1 372.387 2.624 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1OC[C@@H]1CCC=CO1 ZINC001229784871 1036892425 /nfs/dbraw/zinc/89/24/25/1036892425.db2.gz BNIPNSVBQAYRNF-NSHDSACASA-N -1 1 374.345 2.517 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCN(c2ccc(Cl)nn2)CC1 ZINC001234473560 1037052060 /nfs/dbraw/zinc/05/20/60/1037052060.db2.gz HURNFUJFFWSKTH-UHFFFAOYSA-N -1 1 363.801 2.792 20 10 FFCDMM O=C1CCC[C@@]2(CCCN(Cc3cc(F)cc(Br)c3[O-])C2)N1 ZINC001235297835 1037459400 /nfs/dbraw/zinc/45/94/00/1037459400.db2.gz KYZWGVADGZBZGO-INIZCTEOSA-N -1 1 371.250 2.929 20 10 FFCDMM NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566087 1037689593 /nfs/dbraw/zinc/68/95/93/1037689593.db2.gz PUQNCBDAYHCITC-HKUYNNGSSA-N -1 1 368.433 2.714 20 10 FFCDMM CCOC[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])Cc2nnn(C)c21 ZINC001236794581 1038274401 /nfs/dbraw/zinc/27/44/01/1038274401.db2.gz YBAXQWMXOKIJMD-NSHDSACASA-N -1 1 371.268 2.963 20 10 FFCDMM CC(=O)N1CCC[C@@]2(CN(Cc3cc(Cl)c(Cl)cc3[O-])CCO2)C1 ZINC001236794245 1038275011 /nfs/dbraw/zinc/27/50/11/1038275011.db2.gz UUCPFCYKVULDFI-QGZVFWFLSA-N -1 1 373.280 2.912 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122118 1038449076 /nfs/dbraw/zinc/44/90/76/1038449076.db2.gz SEQVYDWSXPKLTO-MNOVXSKESA-N -1 1 374.840 2.645 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122115 1038449558 /nfs/dbraw/zinc/44/95/58/1038449558.db2.gz SEQVYDWSXPKLTO-GHMZBOCLSA-N -1 1 374.840 2.645 20 10 FFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C ZINC001258987075 1039641762 /nfs/dbraw/zinc/64/17/62/1039641762.db2.gz SNKKGQIQUGZQKM-PIGZYNQJSA-N -1 1 353.440 2.538 20 10 FFCDMM O=C1COc2ccc(S(=O)(=O)[N-]c3ccc(O)c4ccccc34)cc2N1 ZINC001260672860 1040712208 /nfs/dbraw/zinc/71/22/08/1040712208.db2.gz DSIKNZRIDWBJKU-UHFFFAOYSA-N -1 1 370.386 2.677 20 10 FFCDMM O=S(=O)([N-]c1cc(CO)ccc1Cl)c1ccc(Cl)c2nonc21 ZINC001261073964 1040980580 /nfs/dbraw/zinc/98/05/80/1040980580.db2.gz ZZYHGCFSUYZYGD-UHFFFAOYSA-N -1 1 374.205 2.823 20 10 FFCDMM O=C(Nc1cccnc1)N1CC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001279441498 1043115793 /nfs/dbraw/zinc/11/57/93/1043115793.db2.gz PZRALMYQFKSERV-UHFFFAOYSA-N -1 1 358.829 2.790 20 10 FFCDMM Cc1nc2c(o1)CCN(Cc1cccc(I)c1[O-])C2 ZINC001237786712 1043357847 /nfs/dbraw/zinc/35/78/47/1043357847.db2.gz MBXBIWPCQSQKBI-UHFFFAOYSA-N -1 1 370.190 2.852 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])[C@@H](CO)C1 ZINC001237934970 1043441956 /nfs/dbraw/zinc/44/19/56/1043441956.db2.gz ODSHYPWLOGNDLO-GFCCVEGCSA-N -1 1 374.840 2.598 20 10 FFCDMM CCN(C(=O)c1[nH]nc2c1CN(Cc1c([O-])cccc1F)CC2)C(C)C ZINC001280009528 1044083731 /nfs/dbraw/zinc/08/37/31/1044083731.db2.gz UGODPUZYNWDTEV-UHFFFAOYSA-N -1 1 360.433 2.683 20 10 FFCDMM CC(C)OCc1nc([C@H](C)NC(=O)NCc2cccc(Cl)c2[O-])no1 ZINC001312795190 1044170733 /nfs/dbraw/zinc/17/07/33/1044170733.db2.gz STNPLJVYPOLFMH-JTQLQIEISA-N -1 1 368.821 2.914 20 10 FFCDMM Cc1c([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])cnn1C ZINC001320906802 1045492023 /nfs/dbraw/zinc/49/20/23/1045492023.db2.gz BTMFGCHOGNGZRF-SECBINFHSA-N -1 1 367.247 2.757 20 10 FFCDMM C[C@H](CCNC(=O)c1c(F)ccc(O)c1[O-])N(C)C(=O)OC(C)(C)C ZINC001324692046 1046169783 /nfs/dbraw/zinc/16/97/83/1046169783.db2.gz DUXMHKIDMDFUQX-SNVBAGLBSA-N -1 1 356.394 2.612 20 10 FFCDMM C[C@@](O)(C(=O)NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC001297439398 1050168695 /nfs/dbraw/zinc/16/86/95/1050168695.db2.gz GZCBRPQRORZFCE-INIZCTEOSA-N -1 1 368.202 2.818 20 10 FFCDMM O=C(NCCCOCC1CCOCC1)NCc1cccc(Cl)c1[O-] ZINC001343278221 1052128313 /nfs/dbraw/zinc/12/83/13/1052128313.db2.gz TYIZJEOEHBZJLM-UHFFFAOYSA-N -1 1 356.850 2.678 20 10 FFCDMM COc1ccc(OC)c2c1CN(Cc1cc(F)c(F)cc1[O-])C[C@@H]2O ZINC001308664710 1052483322 /nfs/dbraw/zinc/48/33/22/1052483322.db2.gz SLHJTCZTCNUSJQ-HNNXBMFYSA-N -1 1 351.349 2.737 20 10 FFCDMM COc1ccc2c(c1NC(=O)C(=O)NCc1cccc(Cl)c1[O-])CCC2 ZINC001337249080 1054593624 /nfs/dbraw/zinc/59/36/24/1054593624.db2.gz QYHITTXLRWOQKI-UHFFFAOYSA-N -1 1 374.824 2.798 20 10 FFCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@H](n2cncn2)C1 ZINC001353594619 1056564440 /nfs/dbraw/zinc/56/44/40/1056564440.db2.gz RLMUMHWAZCEMCG-NSHDSACASA-N -1 1 357.639 2.847 20 10 FFCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1cccc([O-])c1F ZINC001544537864 1071657746 /nfs/dbraw/zinc/65/77/46/1071657746.db2.gz JCXSKDDVVQHJEK-UHFFFAOYSA-N -1 1 358.413 2.670 20 10 FFCDMM CC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(F)c1 ZINC001464792094 1062826807 /nfs/dbraw/zinc/82/68/07/1062826807.db2.gz OLCBMIVGXPJGGJ-UHFFFAOYSA-N -1 1 372.805 2.622 20 10 FFCDMM COc1ccc(N2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)cc1 ZINC001465889591 1063248741 /nfs/dbraw/zinc/24/87/41/1063248741.db2.gz HDGUKWNYYFGAKH-UHFFFAOYSA-N -1 1 360.841 2.946 20 10 FFCDMM CCOC(=O)[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC001467764034 1063844330 /nfs/dbraw/zinc/84/43/30/1063844330.db2.gz NIMBLKREPCLRKD-GFCCVEGCSA-N -1 1 358.232 2.606 20 10 FFCDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cc(C)c(O)c(C)c3C)cc12 ZINC000187060515 510033552 /nfs/dbraw/zinc/03/35/52/510033552.db2.gz KVOYZOPGIWBOFJ-UHFFFAOYSA-N -1 1 360.439 2.708 20 10 FFCDMM CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000276573095 510942652 /nfs/dbraw/zinc/94/26/52/510942652.db2.gz KSKJRUIVFFJTSR-LLVKDONJSA-N -1 1 360.385 2.695 20 10 FFCDMM CCc1nnc(C)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277556753 510965749 /nfs/dbraw/zinc/96/57/49/510965749.db2.gz OUERXECMCOMZHN-UHFFFAOYSA-N -1 1 350.216 2.746 20 10 FFCDMM COc1c(O)c(C[NH2+]Cc2ccc(N3CCOC3=O)cc2)ccc1[N+](=O)[O-] ZINC000278475773 510994557 /nfs/dbraw/zinc/99/45/57/510994557.db2.gz IKBJMBGFPUOVEJ-UHFFFAOYSA-N -1 1 373.365 2.555 20 10 FFCDMM COC(=O)[C@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000280987588 511679385 /nfs/dbraw/zinc/67/93/85/511679385.db2.gz JOFLNVUZQHGOQC-XYPYZODXSA-N -1 1 370.243 2.750 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCC(F)(F)C3)no2)c1 ZINC000281228149 511766803 /nfs/dbraw/zinc/76/68/03/511766803.db2.gz CCMLUSSDIBSNMF-QMMMGPOBSA-N -1 1 359.354 2.717 20 10 FFCDMM Cc1ccc(C(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)c(O)c1O ZINC000374721819 512971520 /nfs/dbraw/zinc/97/15/20/512971520.db2.gz VAANHXQQFJXVTQ-UHFFFAOYSA-N -1 1 355.390 2.847 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)c1 ZINC000529675628 517276643 /nfs/dbraw/zinc/27/66/43/517276643.db2.gz SCBSCLDCBXSFPR-OLZOCXBDSA-N -1 1 374.300 2.615 20 10 FFCDMM COC[C@@H]1CCN(CC(=O)c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)C1 ZINC000737752727 600573830 /nfs/dbraw/zinc/57/38/30/600573830.db2.gz XHESFUXBAAVAQB-MRXNPFEDSA-N -1 1 370.449 2.943 20 10 FFCDMM C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833814125 605597345 /nfs/dbraw/zinc/59/73/45/605597345.db2.gz RMFNNXQLHJFBTC-ZJUUUORDSA-N -1 1 357.794 2.822 20 10 FFCDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1cc(C(=O)[O-])ccc1F ZINC000833695566 605830851 /nfs/dbraw/zinc/83/08/51/605830851.db2.gz RLOKVQNDUHSLKJ-UHFFFAOYSA-N -1 1 358.413 2.993 20 10 FFCDMM Cc1c(Cl)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093900570 728478339 /nfs/dbraw/zinc/47/83/39/728478339.db2.gz PBJPABBBWKFRJP-UHFFFAOYSA-N -1 1 354.815 2.978 20 10 FFCDMM O=S(=O)([N-]c1c(F)cccc1N1CCCC1)c1cccc2nonc21 ZINC000129246959 728710833 /nfs/dbraw/zinc/71/08/33/728710833.db2.gz AKKMEKCIUSZHFI-UHFFFAOYSA-N -1 1 362.386 2.763 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(C(F)F)c2)c1 ZINC000179515423 729187788 /nfs/dbraw/zinc/18/77/88/729187788.db2.gz KGLXNMZTFJWHGC-UHFFFAOYSA-N -1 1 356.350 2.954 20 10 FFCDMM O=C([O-])CN1C(=O)/C(=C\c2cc(Cl)c(O)cc2Cl)SC1=S ZINC000759034200 736542493 /nfs/dbraw/zinc/54/24/93/736542493.db2.gz IBFJRSHZVLFNEL-XNWCZRBMSA-N -1 1 364.231 2.985 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCN(CC(C)C)C(=O)C2)c1 ZINC000779199469 738442896 /nfs/dbraw/zinc/44/28/96/738442896.db2.gz AHHAWSFYHPWZKM-UHFFFAOYSA-N -1 1 355.276 2.763 20 10 FFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000863939227 730816882 /nfs/dbraw/zinc/81/68/82/730816882.db2.gz ZCGNRXDYDLUGHT-QWRGUYRKSA-N -1 1 353.390 2.677 20 10 FFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000874048115 732001470 /nfs/dbraw/zinc/00/14/70/732001470.db2.gz KEEOTEDDCNGVLZ-PWSUYJOCSA-N -1 1 367.808 2.609 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C(C)C)CC2)c1 ZINC000781894622 738668831 /nfs/dbraw/zinc/66/88/31/738668831.db2.gz JGRWXHOICLWJTK-UHFFFAOYSA-N -1 1 355.276 2.763 20 10 FFCDMM C[C@@]1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CC1(F)F ZINC000882131904 733176689 /nfs/dbraw/zinc/17/66/89/733176689.db2.gz OCYKYNXKTYLTOT-NSHDSACASA-N -1 1 370.215 2.619 20 10 FFCDMM C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783262592 738796542 /nfs/dbraw/zinc/79/65/42/738796542.db2.gz MPXPYEFZTFGIMJ-VIFPVBQESA-N -1 1 352.289 2.569 20 10 FFCDMM CO[C@H](C)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000726986084 734458293 /nfs/dbraw/zinc/45/82/93/734458293.db2.gz KTUSKAXZZYPBDC-LLVKDONJSA-N -1 1 364.423 2.723 20 10 FFCDMM CC(C)(C)OC(=O)N1CC(CNC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893906821 734770213 /nfs/dbraw/zinc/77/02/13/734770213.db2.gz BREQYXYJSQGNGH-UHFFFAOYSA-N -1 1 369.849 2.712 20 10 FFCDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@]12CCCO2 ZINC000894191811 734815541 /nfs/dbraw/zinc/81/55/41/734815541.db2.gz DOLMGOMJOYDHBK-JJRVBVJISA-N -1 1 354.834 2.571 20 10 FFCDMM COC(=O)N1CCC([C@H](C)NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000894293714 734831405 /nfs/dbraw/zinc/83/14/05/734831405.db2.gz FQSRKODCWKNWDZ-NSHDSACASA-N -1 1 369.849 2.712 20 10 FFCDMM COC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(C)cc(Br)c1[O-] ZINC000895861630 735065853 /nfs/dbraw/zinc/06/58/53/735065853.db2.gz FRUHHHUZKSBPSE-OCCSQVGLSA-N -1 1 372.259 2.663 20 10 FFCDMM Cc1nc([C@H]2CCN(Cc3cc(Br)cc(F)c3[O-])C2)no1 ZINC000896229362 735122474 /nfs/dbraw/zinc/12/24/74/735122474.db2.gz BSYFPHLFBRXKAB-VIFPVBQESA-N -1 1 356.195 2.975 20 10 FFCDMM C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])O2 ZINC000896522642 735172753 /nfs/dbraw/zinc/17/27/53/735172753.db2.gz KQAHOCFORNQFBC-BKTMZONDSA-N -1 1 368.861 2.817 20 10 FFCDMM Cc1ccc2cccc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2n1 ZINC000757657338 736417028 /nfs/dbraw/zinc/41/70/28/736417028.db2.gz QEFFSZHXRCJEEF-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM CC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000761965213 736777144 /nfs/dbraw/zinc/77/71/44/736777144.db2.gz LIQNOULSKLGHBJ-UHFFFAOYSA-N -1 1 351.771 2.880 20 10 FFCDMM Cc1cc(F)ccc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000761962287 736777198 /nfs/dbraw/zinc/77/71/98/736777198.db2.gz LRKQHLQDTWNBLY-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM CO[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764788770 737049930 /nfs/dbraw/zinc/04/99/30/737049930.db2.gz BUFNQUXCCPTRFA-RYUDHWBXSA-N -1 1 357.248 2.767 20 10 FFCDMM CC1(C)CC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000764803619 737051604 /nfs/dbraw/zinc/05/16/04/737051604.db2.gz DTPBQPWLUTZDPB-LLVKDONJSA-N -1 1 357.248 2.912 20 10 FFCDMM COc1nc(C)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765751994 737153583 /nfs/dbraw/zinc/15/35/83/737153583.db2.gz CSUWERQHYDGRQQ-UHFFFAOYSA-N -1 1 351.200 2.797 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2cccn2)nc1 ZINC000765753822 737154102 /nfs/dbraw/zinc/15/41/02/737154102.db2.gz QFIGABHVYUAEBB-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1COc2ccccc2O1 ZINC000765756884 737154903 /nfs/dbraw/zinc/15/49/03/737154903.db2.gz NZDVUHYZSXWGRW-CQSZACIVSA-N -1 1 364.195 2.611 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccc(F)cc1 ZINC000765925108 737172372 /nfs/dbraw/zinc/17/23/72/737172372.db2.gz DPWIDBBNPFTHGD-UHFFFAOYSA-N -1 1 367.174 2.549 20 10 FFCDMM C[C@H](NCc1nnnn1CC1CC1)c1cc(Br)c(F)cc1[O-] ZINC000769983973 737588093 /nfs/dbraw/zinc/58/80/93/737588093.db2.gz BWIJAXNZELXRJG-QMMMGPOBSA-N -1 1 370.226 2.541 20 10 FFCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1ccc(Br)s1 ZINC000916595174 737714022 /nfs/dbraw/zinc/71/40/22/737714022.db2.gz ZZKVTAFCELJCAY-UHFFFAOYSA-N -1 1 357.181 2.962 20 10 FFCDMM CCC(=O)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000771657939 737745356 /nfs/dbraw/zinc/74/53/56/737745356.db2.gz BCLPCUKAKFLRAN-UHFFFAOYSA-N -1 1 362.407 2.609 20 10 FFCDMM Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000777936687 738333097 /nfs/dbraw/zinc/33/30/97/738333097.db2.gz XBVPQHZQCCWWJG-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000778566182 738394146 /nfs/dbraw/zinc/39/41/46/738394146.db2.gz MCXGXZTVHHBJEB-UHFFFAOYSA-N -1 1 353.371 2.817 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2[C@H]2CCCO2)c1 ZINC000809698244 741333146 /nfs/dbraw/zinc/33/31/46/741333146.db2.gz WPYAHXFDDPMMSX-LSDHHAIUSA-N -1 1 356.260 2.843 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ncsc3Cl)no2)c1 ZINC000812815976 741655423 /nfs/dbraw/zinc/65/54/23/741655423.db2.gz HFAMCYIRLNYAKG-UHFFFAOYSA-N -1 1 372.815 2.591 20 10 FFCDMM CNS(=O)(=O)c1ccc2c(c1)CCN2Cc1cc(Cl)c(F)cc1[O-] ZINC000816589980 742044857 /nfs/dbraw/zinc/04/48/57/742044857.db2.gz OBKCMGDPZSPMNG-UHFFFAOYSA-N -1 1 370.833 2.656 20 10 FFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000817356069 742128367 /nfs/dbraw/zinc/12/83/67/742128367.db2.gz CXEBXVKPCWYGID-MRXNPFEDSA-N -1 1 365.451 2.790 20 10 FFCDMM COCC1(CCNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000827177187 743526442 /nfs/dbraw/zinc/52/64/42/743526442.db2.gz FRRZQZBBEIACTO-UHFFFAOYSA-N -1 1 357.248 2.771 20 10 FFCDMM C[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])c2nccn21 ZINC000836630073 746272798 /nfs/dbraw/zinc/27/27/98/746272798.db2.gz YEZKZOLAQCGFIE-CABZTGNLSA-N -1 1 365.231 2.856 20 10 FFCDMM C[C@@H]1CCc2ccccc2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000854322835 750282685 /nfs/dbraw/zinc/28/26/85/750282685.db2.gz JFOWMVKYXCSFIS-GFCCVEGCSA-N -1 1 360.435 2.745 20 10 FFCDMM CCC[C@@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1nn[n-]n1 ZINC000176784612 967578812 /nfs/dbraw/zinc/57/88/12/967578812.db2.gz KTVMOPIOSHQSBA-QGZVFWFLSA-N -1 1 368.441 2.887 20 10 FFCDMM Oc1c(I)cccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001237778302 992710381 /nfs/dbraw/zinc/71/03/81/992710381.db2.gz WGUVVIZBSNUKGW-CQSZACIVSA-N -1 1 359.207 2.752 20 10 FFCDMM Cc1c(NC(=O)c2c(F)ccc(O)c2[O-])c(=O)n(C2CCCCC2)n1C ZINC000880517734 1015861941 /nfs/dbraw/zinc/86/19/41/1015861941.db2.gz PMMATWIUWYCBBL-UHFFFAOYSA-N -1 1 363.389 2.803 20 10 FFCDMM O=C(CNC(=O)c1cc2ccc3cccnc3c2[nH]1)c1ccc([O-])c(O)c1 ZINC001152305716 1032143137 /nfs/dbraw/zinc/14/31/37/1032143137.db2.gz AUQCIJOJUSZPMU-UHFFFAOYSA-N -1 1 361.357 2.740 20 10 FFCDMM CN(C)[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738145131 999622943 /nfs/dbraw/zinc/62/29/43/999622943.db2.gz OJVJXFVYEHOMFF-INIZCTEOSA-N -1 1 354.450 2.855 20 10 FFCDMM CN(C)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738145131 999622944 /nfs/dbraw/zinc/62/29/44/999622944.db2.gz OJVJXFVYEHOMFF-INIZCTEOSA-N -1 1 354.450 2.855 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1[O-] ZINC000846281401 1000253249 /nfs/dbraw/zinc/25/32/49/1000253249.db2.gz XKUPBFXVEBSHJP-FQEVSTJZSA-N -1 1 357.381 2.962 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c1[O-] ZINC000846281401 1000253253 /nfs/dbraw/zinc/25/32/53/1000253253.db2.gz XKUPBFXVEBSHJP-FQEVSTJZSA-N -1 1 357.381 2.962 20 10 FFCDMM CC(C)(CNC(=O)c1c(F)ccc(O)c1[O-])c1ccc2c(c1)OCCO2 ZINC000789964326 1002241172 /nfs/dbraw/zinc/24/11/72/1002241172.db2.gz XMKNQVQVSZFNPC-UHFFFAOYSA-N -1 1 361.369 2.716 20 10 FFCDMM COc1cccc(N2CCC[C@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)c1 ZINC000789977767 1002244314 /nfs/dbraw/zinc/24/43/14/1002244314.db2.gz YSDBSQALPPCXTC-LBPRGKRZSA-N -1 1 360.385 2.644 20 10 FFCDMM COc1cccc(-c2noc([C@H](C)NC(=O)c3c(F)ccc(O)c3[O-])n2)c1 ZINC000789986023 1002246759 /nfs/dbraw/zinc/24/67/59/1002246759.db2.gz IKPHCCNHWDFMQV-VIFPVBQESA-N -1 1 373.340 2.787 20 10 FFCDMM COC(=O)[C@H]1c2ccccc2CCN1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774910087 1003013947 /nfs/dbraw/zinc/01/39/47/1003013947.db2.gz PRQHOJKVAFUMTN-MRXNPFEDSA-N -1 1 372.377 2.581 20 10 FFCDMM CCOC(=O)c1nc2ccccc2nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170313923 1003104889 /nfs/dbraw/zinc/10/48/89/1003104889.db2.gz JIWJKPPTVXGAKH-UHFFFAOYSA-N -1 1 367.361 2.513 20 10 FFCDMM COC(=O)c1nccc2c(NCC(=O)c3ccc([O-])c(O)c3)cccc21 ZINC001170321685 1003110128 /nfs/dbraw/zinc/11/01/28/1003110128.db2.gz CUMWOTSWYLHTIC-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM O=C(CNc1ccc(=O)n(-c2ccccc2F)c1)c1ccc([O-])c(O)c1 ZINC001170321007 1003110169 /nfs/dbraw/zinc/11/01/69/1003110169.db2.gz UUOLFIZKNMAXHI-UHFFFAOYSA-N -1 1 354.337 2.683 20 10 FFCDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1cc(C)cc(C)c1 ZINC000805603995 1004055358 /nfs/dbraw/zinc/05/53/58/1004055358.db2.gz ZVMBJRCXFXJWRQ-UHFFFAOYSA-N -1 1 352.394 2.869 20 10 FFCDMM Cc1nnc(-c2cccc(S(=O)(=O)Nc3c(F)cc([O-])cc3F)c2)o1 ZINC001192272812 1004112758 /nfs/dbraw/zinc/11/27/58/1004112758.db2.gz AVIYCLIEHZDIOE-UHFFFAOYSA-N -1 1 367.333 2.830 20 10 FFCDMM CCOC(=O)c1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cnc1C ZINC001193220192 1004407150 /nfs/dbraw/zinc/40/71/50/1004407150.db2.gz RABGUVSXZRYAKW-UHFFFAOYSA-N -1 1 350.758 2.884 20 10 FFCDMM O=C(CCNC(=O)c1ccc(O)c([O-])c1Cl)Nc1ccc(F)cc1 ZINC001193236476 1004412852 /nfs/dbraw/zinc/41/28/52/1004412852.db2.gz DWCHQXKEKBZZDN-UHFFFAOYSA-N -1 1 352.749 2.649 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1F ZINC000773956996 1010316295 /nfs/dbraw/zinc/31/62/95/1010316295.db2.gz OVEBRPZOSKOMTA-UHFFFAOYSA-N -1 1 373.457 2.933 20 10 FFCDMM C[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863942109 1010362655 /nfs/dbraw/zinc/36/26/55/1010362655.db2.gz LHBHTRANTYLBEB-QWRGUYRKSA-N -1 1 368.405 2.755 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)C(=O)CCC3)c1 ZINC000750249937 1021605676 /nfs/dbraw/zinc/60/56/76/1021605676.db2.gz DQOGMESOCULTAM-UHFFFAOYSA-N -1 1 374.418 2.535 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1C ZINC000155616331 1022270564 /nfs/dbraw/zinc/27/05/64/1022270564.db2.gz BSFWYSKGOVDQPZ-MRXNPFEDSA-N -1 1 364.453 2.935 20 10 FFCDMM Cn1c2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cc2nc1C1CC1 ZINC000839761044 1026819357 /nfs/dbraw/zinc/81/93/57/1026819357.db2.gz KQFQEIXWUYHTTR-UHFFFAOYSA-N -1 1 355.369 2.931 20 10 FFCDMM COC(=O)c1ccc2c(ccnc2NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159276881 1027331864 /nfs/dbraw/zinc/33/18/64/1027331864.db2.gz OFDBXDHQABXCPK-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM O=C(CNc1cc(-c2nc(C3CC3)no2)ccn1)c1ccc([O-])c(O)c1 ZINC001159280163 1027336134 /nfs/dbraw/zinc/33/61/34/1027336134.db2.gz CYOFUQLROLMWIL-UHFFFAOYSA-N -1 1 352.350 2.715 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CC[C@H](c2ccccc2F)C1 ZINC001155224240 1028631719 /nfs/dbraw/zinc/63/17/19/1028631719.db2.gz BYCIXLALLZOTSF-NSHDSACASA-N -1 1 369.348 2.973 20 10 FFCDMM C[C@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1cccc(N(C)C)c1 ZINC001155235422 1028642144 /nfs/dbraw/zinc/64/21/44/1028642144.db2.gz NUOPSVMBEHJPNZ-NSHDSACASA-N -1 1 368.389 2.761 20 10 FFCDMM O=C(COC(=O)c1cccc(OC[C@@H]2CCCO2)c1)c1ccc([O-])c(O)c1 ZINC000782053683 1029546152 /nfs/dbraw/zinc/54/61/52/1029546152.db2.gz VTVKWLCNQKWHSD-INIZCTEOSA-N -1 1 372.373 2.695 20 10 FFCDMM C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782861826 1029840004 /nfs/dbraw/zinc/84/00/04/1029840004.db2.gz OGYBRWYXCRFRNE-GFCCVEGCSA-N -1 1 356.374 2.780 20 10 FFCDMM O=C(COC(=O)c1ccn(-c2cccc(Cl)c2)n1)c1ccc([O-])c(O)c1 ZINC000783092250 1029893237 /nfs/dbraw/zinc/89/32/37/1029893237.db2.gz CQWAEFWBSNVKBE-UHFFFAOYSA-N -1 1 372.764 2.977 20 10 FFCDMM O=C(COC(=O)[C@H]1CCCN1Cc1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC000784021115 1030422041 /nfs/dbraw/zinc/42/20/41/1030422041.db2.gz MQTYDJUFILGZQL-MRXNPFEDSA-N -1 1 373.380 2.627 20 10 FFCDMM O=C1CS(=O)(=O)c2cc(NCc3c([O-])ccc(Cl)c3F)ccc2N1 ZINC001203559436 1030766714 /nfs/dbraw/zinc/76/67/14/1030766714.db2.gz KODFGIQBKJIQAC-UHFFFAOYSA-N -1 1 370.789 2.523 20 10 FFCDMM Cc1cn(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784784186 1030804541 /nfs/dbraw/zinc/80/45/41/1030804541.db2.gz RHWYLPIHUZEDRR-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM O=C(NCCc1ccc2c(c1)OCCO2)NCc1cccc(Cl)c1[O-] ZINC001221003329 1034495335 /nfs/dbraw/zinc/49/53/35/1034495335.db2.gz ZLMPTHXFNNYEMB-UHFFFAOYSA-N -1 1 362.813 2.859 20 10 FFCDMM CCOC(=O)[C@@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001227578308 1035616528 /nfs/dbraw/zinc/61/65/28/1035616528.db2.gz SCSYGBJYTXTTPZ-IBGZPJMESA-N -1 1 366.369 2.888 20 10 FFCDMM COC(=O)[C@@H]1CC[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C1 ZINC001228110216 1035937498 /nfs/dbraw/zinc/93/74/98/1035937498.db2.gz HOGLPEDTQJBODW-OCCSQVGLSA-N -1 1 372.373 2.755 20 10 FFCDMM COC(=O)[C@@H]1C[C@H](C)CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031332 1036271011 /nfs/dbraw/zinc/27/10/11/1036271011.db2.gz BWKYVDATBRKUIT-VHSXEESVSA-N -1 1 360.223 2.925 20 10 FFCDMM CN1C(=O)CC[C@H]2C[N@H+](Cc3c([O-])cc(Br)cc3F)CC[C@@H]21 ZINC001233033942 1036274594 /nfs/dbraw/zinc/27/45/94/1036274594.db2.gz YWDAKUXNRVSMOU-HZMBPMFUSA-N -1 1 371.250 2.737 20 10 FFCDMM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccc(F)c(F)c4[O-])C[C@H]3O2)n1 ZINC001233076678 1036323859 /nfs/dbraw/zinc/32/38/59/1036323859.db2.gz SQCRYSTWIRBYNJ-LEWSCRJBSA-N -1 1 351.353 2.714 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](OC)C2)c1 ZINC001233305533 1036512115 /nfs/dbraw/zinc/51/21/15/1036512115.db2.gz KBCDOYLFOOSDLH-GFCCVEGCSA-N -1 1 358.232 2.552 20 10 FFCDMM CCOC(=O)[C@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233417697 1036611050 /nfs/dbraw/zinc/61/10/50/1036611050.db2.gz DPFIQTFKNZAWGZ-LBPRGKRZSA-N -1 1 359.344 2.755 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1OC1CC(F)(F)C1 ZINC001229786639 1036895921 /nfs/dbraw/zinc/89/59/21/1036895921.db2.gz OWQQPIZDSIPEIG-UHFFFAOYSA-N -1 1 368.288 2.622 20 10 FFCDMM COC[C@H](C)OC[C@H](C)OC[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473662 1037050643 /nfs/dbraw/zinc/05/06/43/1037050643.db2.gz JZQQDRVXZZTAQM-AVGNSLFASA-N -1 1 356.415 2.524 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1[C@@H]2C[C@H]1CN(C(=O)OC(C)(C)C)C2 ZINC001234473877 1037053051 /nfs/dbraw/zinc/05/30/51/1037053051.db2.gz LGLLFGFMLIQURN-PBKGOJFUSA-N -1 1 363.410 2.935 20 10 FFCDMM CC[C@@H](C)N1C[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277507554 1037538289 /nfs/dbraw/zinc/53/82/89/1037538289.db2.gz QMMBOBZKMAQRHZ-KZULUSFZSA-N -1 1 370.852 2.787 20 10 FFCDMM C[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231449750 1037589870 /nfs/dbraw/zinc/58/98/70/1037589870.db2.gz MNPXDBFMSPDMFL-LBPRGKRZSA-N -1 1 350.415 2.532 20 10 FFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCOC[C@@](O)(C(F)(F)F)C1 ZINC001236793588 1038273181 /nfs/dbraw/zinc/27/31/81/1038273181.db2.gz LRVZWVAUXONLRO-GFCCVEGCSA-N -1 1 360.159 2.825 20 10 FFCDMM O=C1CN(Cc2cc(Cl)c(Cl)cc2[O-])CCN1C1CCOCC1 ZINC001236796460 1038274872 /nfs/dbraw/zinc/27/48/72/1038274872.db2.gz PGRBMHVDCIZMIE-UHFFFAOYSA-N -1 1 359.253 2.522 20 10 FFCDMM COc1cc(O)c(C[N@H+]2CCC[C@@H](NC(=O)N3CCCC3)C2)c(Cl)c1 ZINC001236805018 1038279165 /nfs/dbraw/zinc/27/91/65/1038279165.db2.gz DIVAXPNVRTYBFG-CYBMUJFWSA-N -1 1 367.877 2.824 20 10 FFCDMM CC(C)CN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001276606033 1038623371 /nfs/dbraw/zinc/62/33/71/1038623371.db2.gz SVHLLHUSGRVPLI-FQEVSTJZSA-N -1 1 360.454 2.703 20 10 FFCDMM CC(C)CN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001276606034 1038623761 /nfs/dbraw/zinc/62/37/61/1038623761.db2.gz SVHLLHUSGRVPLI-HXUWFJFHSA-N -1 1 360.454 2.703 20 10 FFCDMM COc1ncc(-c2ccc(-n3c(C)ccc3C)nc2)cc1[N-]S(C)(=O)=O ZINC001244795207 1038783635 /nfs/dbraw/zinc/78/36/35/1038783635.db2.gz ZTLRGOVGZSBYPT-UHFFFAOYSA-N -1 1 372.450 2.931 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(O)cc1O)c1cc(Cl)c(Cl)s1 ZINC001257514861 1038845171 /nfs/dbraw/zinc/84/51/71/1038845171.db2.gz AJWITHAEZVJFPZ-UHFFFAOYSA-N -1 1 354.236 2.945 20 10 FFCDMM O=[N+]([O-])c1cc(-c2nc3cc(F)c(-n4cccn4)cc3[nH]2)cc(O)c1[O-] ZINC001251026666 1038901887 /nfs/dbraw/zinc/90/18/87/1038901887.db2.gz BABJTQVKGUDHSE-UHFFFAOYSA-N -1 1 355.285 2.874 20 10 FFCDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(F)c([O-])c(F)c1)C(=O)C2 ZINC001258986078 1039641821 /nfs/dbraw/zinc/64/18/21/1039641821.db2.gz XCINRXAMNAIFQB-JDNHERCYSA-N -1 1 359.394 2.808 20 10 FFCDMM COC(=O)CCc1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001259325917 1039914166 /nfs/dbraw/zinc/91/41/66/1039914166.db2.gz YCQLYGYPPCCOSZ-UHFFFAOYSA-N -1 1 371.361 2.577 20 10 FFCDMM COc1ccc(CN2CCC[C@@H]2CF)c([O-])c1I ZINC001248501435 1040304112 /nfs/dbraw/zinc/30/41/12/1040304112.db2.gz NJYJZWFYIRKMRB-SNVBAGLBSA-N -1 1 365.186 2.939 20 10 FFCDMM CC(=O)Oc1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC001260389076 1040571530 /nfs/dbraw/zinc/57/15/30/1040571530.db2.gz QKKXYGVEVJJJGK-UHFFFAOYSA-N -1 1 367.383 2.557 20 10 FFCDMM CS(=O)(=O)c1cccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)c1 ZINC001216951249 1042170222 /nfs/dbraw/zinc/17/02/22/1042170222.db2.gz ARDKTRYSIPYITN-UHFFFAOYSA-N -1 1 366.782 2.872 20 10 FFCDMM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001279489146 1043173282 /nfs/dbraw/zinc/17/32/82/1043173282.db2.gz LEDJZQCIUFZKNM-AWEZNQCLSA-N -1 1 360.404 2.837 20 10 FFCDMM CC(C)NC(=O)N1C[C@H]2CC[C@@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001279683904 1043464303 /nfs/dbraw/zinc/46/43/03/1043464303.db2.gz LSQQAEMMMTZJSI-TXEJJXNPSA-N -1 1 355.841 2.951 20 10 FFCDMM CCN(C(=O)c1cnc2n1CCN(Cc1c([O-])cccc1F)C2)C(C)C ZINC001280009173 1044081937 /nfs/dbraw/zinc/08/19/37/1044081937.db2.gz RJTKJKMSKHWSPZ-UHFFFAOYSA-N -1 1 360.433 2.614 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])cc2O)c(C)n1-c1ccccn1 ZINC001318556557 1044747668 /nfs/dbraw/zinc/74/76/68/1044747668.db2.gz MTXLFPVZWRLLGL-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM C[C@](O)(C(=O)NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC001297439399 1050168517 /nfs/dbraw/zinc/16/85/17/1050168517.db2.gz GZCBRPQRORZFCE-MRXNPFEDSA-N -1 1 368.202 2.818 20 10 FFCDMM CC1(C)Cc2cccc(S(=O)(=O)Nc3ccc(O)cc3C(=O)[O-])c2O1 ZINC001339912306 1050329499 /nfs/dbraw/zinc/32/94/99/1050329499.db2.gz DHEKEUMXGQTNAK-UHFFFAOYSA-N -1 1 363.391 2.605 20 10 FFCDMM O=C1CN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2Cl)CCN1 ZINC001308208785 1052432182 /nfs/dbraw/zinc/43/21/82/1052432182.db2.gz QAIYXTLWCNKPMZ-UHFFFAOYSA-N -1 1 367.783 2.872 20 10 FFCDMM COc1ccccc1-c1noc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001457680195 1060422116 /nfs/dbraw/zinc/42/21/16/1060422116.db2.gz KAAUWCVSHQUSTP-SECBINFHSA-N -1 1 373.340 2.787 20 10 FFCDMM CCOC(=O)c1cn(C)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001477173787 1061613667 /nfs/dbraw/zinc/61/36/67/1061613667.db2.gz QHDGGVOZDHMFOF-UHFFFAOYSA-N -1 1 351.790 2.883 20 10 FFCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001467099582 1063637581 /nfs/dbraw/zinc/63/75/81/1063637581.db2.gz MRIJJNONPVFTNY-LBPRGKRZSA-N -1 1 368.393 2.742 20 10 FFCDMM CS(=O)(=O)NCc1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC001474062474 1065448807 /nfs/dbraw/zinc/44/88/07/1065448807.db2.gz FMNLGFHRWBXXIB-UHFFFAOYSA-N -1 1 358.822 2.846 20 10 FFCDMM COc1cc2[n-]cc(C(=O)N(C)Cc3ccccc3O)c(=O)c2c(OC)c1 ZINC001566303888 1076943554 /nfs/dbraw/zinc/94/35/54/1076943554.db2.gz JDFIBLWJLMZZOB-UHFFFAOYSA-N -1 1 368.389 2.523 20 10 FFCDMM COc1cccc(CNc2ccc(-c3nc(C)c(C)c(=O)[n-]3)cn2)c1O ZINC000091479376 507988993 /nfs/dbraw/zinc/98/89/93/507988993.db2.gz CVYPMCSZNMJJBK-UHFFFAOYSA-N -1 1 352.394 2.775 20 10 FFCDMM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc21 ZINC000182475009 509256568 /nfs/dbraw/zinc/25/65/68/509256568.db2.gz AHWPAOWRUDVAEW-UHFFFAOYSA-N -1 1 360.435 2.801 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2 ZINC000189430975 509572803 /nfs/dbraw/zinc/57/28/03/509572803.db2.gz PHIJUVUTWPUKHX-UHFFFAOYSA-N -1 1 360.435 2.664 20 10 FFCDMM C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187668814 510377965 /nfs/dbraw/zinc/37/79/65/510377965.db2.gz XKWQMXKNCAMCAR-ZDUSSCGKSA-N -1 1 362.424 2.668 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000276959641 510951198 /nfs/dbraw/zinc/95/11/98/510951198.db2.gz UMILHDVASQSJQH-UHFFFAOYSA-N -1 1 360.435 2.648 20 10 FFCDMM CC(C)c1nn(C)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000277417675 510962236 /nfs/dbraw/zinc/96/22/36/510962236.db2.gz CPSCLEOBSRRYTL-UHFFFAOYSA-N -1 1 352.232 2.942 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCCO1 ZINC000277604872 510967328 /nfs/dbraw/zinc/96/73/28/510967328.db2.gz VMEVRHLUGQXIEP-GWCFXTLKSA-N -1 1 357.248 2.912 20 10 FFCDMM C[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000295314525 511359892 /nfs/dbraw/zinc/35/98/92/511359892.db2.gz WAGYUNRXPJSHPG-MNOVXSKESA-N -1 1 368.405 2.755 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296572221 511802395 /nfs/dbraw/zinc/80/23/95/511802395.db2.gz DGAQSQKNZBDIGB-PWSUYJOCSA-N -1 1 368.405 2.612 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)c1 ZINC000833898688 605913035 /nfs/dbraw/zinc/91/30/35/605913035.db2.gz VWQGDFQIWNANBV-NSHDSACASA-N -1 1 357.248 2.943 20 10 FFCDMM O=C(NCCc1ccc(O)c(O)c1)c1cc(Br)ccc1[O-] ZINC000011639374 727811198 /nfs/dbraw/zinc/81/11/98/727811198.db2.gz FDMNQFMLTLCHTG-UHFFFAOYSA-N -1 1 352.184 2.538 20 10 FFCDMM O=C1OCc2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc21 ZINC000111995395 728540384 /nfs/dbraw/zinc/54/03/84/728540384.db2.gz BWYGHBORNMQCPL-UHFFFAOYSA-N -1 1 358.419 2.758 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000111995507 728540425 /nfs/dbraw/zinc/54/04/25/728540425.db2.gz FLFLLTXUVZWKAP-UHFFFAOYSA-N -1 1 360.435 2.874 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)C1=Cc2ccccc2CC1 ZINC000779460158 738466376 /nfs/dbraw/zinc/46/63/76/738466376.db2.gz KWOYONNJKVWPNQ-UHFFFAOYSA-N -1 1 359.403 2.908 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000873145096 731880925 /nfs/dbraw/zinc/88/09/25/731880925.db2.gz ILHYJBPNYXMKOR-OSMZGAPFSA-N -1 1 369.259 2.912 20 10 FFCDMM CC(C)(C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890757482 734336380 /nfs/dbraw/zinc/33/63/80/734336380.db2.gz FGOYQYQDPXAJQT-ZDUSSCGKSA-N -1 1 352.862 2.947 20 10 FFCDMM CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890760804 734336888 /nfs/dbraw/zinc/33/68/88/734336888.db2.gz ZJFRUHXDOVGIGW-DOMZBBRYSA-N -1 1 367.877 2.882 20 10 FFCDMM CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893477952 734706226 /nfs/dbraw/zinc/70/62/26/734706226.db2.gz LQDIYJWNXIHCKZ-BTELXILVSA-N -1 1 358.891 2.925 20 10 FFCDMM COC(=O)N1CCC([C@@H](C)NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000894293711 734831360 /nfs/dbraw/zinc/83/13/60/734831360.db2.gz FQSRKODCWKNWDZ-LLVKDONJSA-N -1 1 369.849 2.712 20 10 FFCDMM O=C1CCC2=C(CCN(Cc3cc(Br)cc(F)c3[O-])C2)N1 ZINC000895226124 734976331 /nfs/dbraw/zinc/97/63/31/734976331.db2.gz UDXYMJGQTCAWPJ-UHFFFAOYSA-N -1 1 355.207 2.664 20 10 FFCDMM Cn1ncc(C(F)(F)F)c1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895956645 735080086 /nfs/dbraw/zinc/08/00/86/735080086.db2.gz QLTDWZJCVLXTIB-UHFFFAOYSA-N -1 1 362.739 2.797 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCC2(CCOCC2)CO1 ZINC000896428389 735158685 /nfs/dbraw/zinc/15/86/85/735158685.db2.gz LGYAUCWGJXXXFQ-CQSZACIVSA-N -1 1 368.861 2.821 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NCc2ccco2)c1[O-] ZINC000750033736 735767865 /nfs/dbraw/zinc/76/78/65/735767865.db2.gz ULCOQNVGWJLPMI-UHFFFAOYSA-N -1 1 350.802 2.589 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2cccs2)c1[O-] ZINC000750053098 735768168 /nfs/dbraw/zinc/76/81/68/735768168.db2.gz GHIDSHVCGZXALB-HNNXBMFYSA-N -1 1 364.854 2.983 20 10 FFCDMM Cc1cccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000761565808 736745775 /nfs/dbraw/zinc/74/57/75/736745775.db2.gz HHEZEZUYISCNMQ-UHFFFAOYSA-N -1 1 359.407 2.713 20 10 FFCDMM O=C(NCCOCC1CCC1)NCc1cccc(Br)c1[O-] ZINC000764806733 737051865 /nfs/dbraw/zinc/05/18/65/737051865.db2.gz PTOFWAJKKOAUII-UHFFFAOYSA-N -1 1 357.248 2.771 20 10 FFCDMM Cc1[nH]nc2ncc(C(=O)NCc3cccc(Br)c3[O-])cc12 ZINC000765735003 737150841 /nfs/dbraw/zinc/15/08/41/737150841.db2.gz BPUZEAMHZWAOSY-UHFFFAOYSA-N -1 1 361.199 2.664 20 10 FFCDMM CCc1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)nn1 ZINC000765766026 737156440 /nfs/dbraw/zinc/15/64/40/737156440.db2.gz UVPARZJIKUKDTM-UHFFFAOYSA-N -1 1 350.216 2.746 20 10 FFCDMM O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)cc1[O-] ZINC000770629568 737647169 /nfs/dbraw/zinc/64/71/69/737647169.db2.gz IUPWOHCVPAAWMW-UHFFFAOYSA-N -1 1 352.184 2.538 20 10 FFCDMM COc1c([O-])c(CN(CC(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000774906683 738039044 /nfs/dbraw/zinc/03/90/44/738039044.db2.gz CWGUOOLFDOIGCI-UHFFFAOYSA-N -1 1 354.403 2.861 20 10 FFCDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)c(O)c(C)c2C)cn1C ZINC000775291520 738079880 /nfs/dbraw/zinc/07/98/80/738079880.db2.gz KVSYZMZWQVNHHW-UHFFFAOYSA-N -1 1 366.439 2.633 20 10 FFCDMM O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1c(F)ccc(O)c1[O-] ZINC000789979244 739402015 /nfs/dbraw/zinc/40/20/15/739402015.db2.gz RDQREKDTTCAJQU-UHFFFAOYSA-N -1 1 363.732 2.870 20 10 FFCDMM O=C(N[C@@H]1CCN(c2c(F)cccc2F)C1)c1c([O-])c(O)ccc1F ZINC000789989621 739402845 /nfs/dbraw/zinc/40/28/45/739402845.db2.gz KEMYILUIQSERBM-SECBINFHSA-N -1 1 352.312 2.524 20 10 FFCDMM O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1c([O-])c(O)ccc1F ZINC000789996962 739404425 /nfs/dbraw/zinc/40/44/25/739404425.db2.gz WNTMENFBNDKHOQ-LBPRGKRZSA-N -1 1 359.275 2.719 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C[C@H]2CCOC2)c1[O-] ZINC000933670150 739670199 /nfs/dbraw/zinc/67/01/99/739670199.db2.gz HYXNZPFDZBCJIX-CZUORRHYSA-N -1 1 353.846 2.876 20 10 FFCDMM CCc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1F ZINC000804267412 740857748 /nfs/dbraw/zinc/85/77/48/740857748.db2.gz PTQBVMKCRDQBNK-UHFFFAOYSA-N -1 1 352.387 2.718 20 10 FFCDMM O=C([N-]C[C@@H]1CCC[N@@H+](Cc2cccc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514582 741532790 /nfs/dbraw/zinc/53/27/90/741532790.db2.gz AYRXVERVMNWFFR-JTQLQIEISA-N -1 1 350.768 2.936 20 10 FFCDMM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cccc(Cl)c2[O-])C1)C(F)(F)F ZINC000811514582 741532792 /nfs/dbraw/zinc/53/27/92/741532792.db2.gz AYRXVERVMNWFFR-JTQLQIEISA-N -1 1 350.768 2.936 20 10 FFCDMM CCOC(=O)[C@H](F)C1CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000816635029 742049243 /nfs/dbraw/zinc/04/92/43/742049243.db2.gz AGVNJQDYGAUFNP-CYBMUJFWSA-N -1 1 360.223 2.796 20 10 FFCDMM CC[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000817176820 742101801 /nfs/dbraw/zinc/10/18/01/742101801.db2.gz MNNVFDPXGLUTGY-VXGBXAGGSA-N -1 1 357.248 2.912 20 10 FFCDMM CC(C)O[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000838747374 746706015 /nfs/dbraw/zinc/70/60/15/746706015.db2.gz KTLFBPZMCMIWPU-TXEJJXNPSA-N -1 1 357.248 2.910 20 10 FFCDMM O=C([O-])[C@@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCC1 ZINC000854235871 750266688 /nfs/dbraw/zinc/26/66/88/750266688.db2.gz TUUKMWMGSPILFF-NSHDSACASA-N -1 1 361.225 2.999 20 10 FFCDMM CC1=CCC=C[C@@H]1C(=O)N1CC2(CN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001279108750 964069016 /nfs/dbraw/zinc/06/90/16/964069016.db2.gz WNFGVJDTSAGXQN-HNNXBMFYSA-N -1 1 360.404 2.837 20 10 FFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487923 973611930 /nfs/dbraw/zinc/61/19/30/973611930.db2.gz AYMSOILJXSAZPO-SJORKVTESA-N -1 1 365.433 2.969 20 10 FFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487923 973611937 /nfs/dbraw/zinc/61/19/37/973611937.db2.gz AYMSOILJXSAZPO-SJORKVTESA-N -1 1 365.433 2.969 20 10 FFCDMM CC(C)[N@H+]1CCc2c(c3ccccc3n2CC(=O)OCCCC(=O)[O-])C1 ZINC001591636103 992949108 /nfs/dbraw/zinc/94/91/08/992949108.db2.gz ZXSQQIRQYGESSQ-UHFFFAOYSA-N -1 1 358.438 2.816 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)OCCCC(=O)[O-])C1 ZINC001591636103 992949116 /nfs/dbraw/zinc/94/91/16/992949116.db2.gz ZXSQQIRQYGESSQ-UHFFFAOYSA-N -1 1 358.438 2.816 20 10 FFCDMM CCOc1ccc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000823996862 996773825 /nfs/dbraw/zinc/77/38/25/996773825.db2.gz QSPHOTLNQGJIQR-UHFFFAOYSA-N -1 1 374.412 2.594 20 10 FFCDMM CN1C(=O)CC[C@@H]2C[N@@H+](Cc3cc(Br)c(F)cc3O)CC[C@H]21 ZINC001144308016 998304559 /nfs/dbraw/zinc/30/45/59/998304559.db2.gz GXPLWRJNWRGWBL-QMTHXVAHSA-N -1 1 371.250 2.737 20 10 FFCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncccc1[O-] ZINC000743735118 999830817 /nfs/dbraw/zinc/83/08/17/999830817.db2.gz DPUGJOWJWHDIBZ-LBPRGKRZSA-N -1 1 363.364 2.787 20 10 FFCDMM CC(C)Oc1cccc(CN(C)Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)c1 ZINC000846254092 1000245297 /nfs/dbraw/zinc/24/52/97/1000245297.db2.gz IGBZGPMDKKEWCL-UHFFFAOYSA-N -1 1 370.409 2.552 20 10 FFCDMM O=C(CCCc1c[nH]c2ccccc12)NCC(=O)c1ccc([O-])c(O)c1 ZINC001144976685 1000485174 /nfs/dbraw/zinc/48/51/74/1000485174.db2.gz GEGHMYHDXUFADR-UHFFFAOYSA-N -1 1 352.390 2.901 20 10 FFCDMM Cc1cc(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc(C(F)(F)F)c1 ZINC001182676257 1001994661 /nfs/dbraw/zinc/99/46/61/1001994661.db2.gz KDXDNWMBEPPWTG-UHFFFAOYSA-N -1 1 367.323 2.967 20 10 FFCDMM CC1(C)CCCN(c2ccnc(NCC(=O)c3ccc([O-])c(O)c3)n2)C1 ZINC001170316429 1003106439 /nfs/dbraw/zinc/10/64/39/1003106439.db2.gz QVZQGVFCJJKVLG-UHFFFAOYSA-N -1 1 356.426 2.809 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN2CCc3ccccc3[C@@H]2C1 ZINC001193231920 1004411959 /nfs/dbraw/zinc/41/19/59/1004411959.db2.gz BEBXIUCSIHWYNW-HNNXBMFYSA-N -1 1 358.825 2.806 20 10 FFCDMM Cc1cc(O[C@H]2CCCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)ncn1 ZINC001193233063 1004412944 /nfs/dbraw/zinc/41/29/44/1004412944.db2.gz UVRPQAFCQIJGSU-NSHDSACASA-N -1 1 363.801 2.533 20 10 FFCDMM O=C(N[C@@H]1Cc2ccc(Cl)cc2NC1=O)c1ccc(O)c([O-])c1Cl ZINC001193247321 1004418368 /nfs/dbraw/zinc/41/83/68/1004418368.db2.gz UTGNVGPOBDGTRH-LLVKDONJSA-N -1 1 367.188 2.698 20 10 FFCDMM O=[N+]([O-])c1cccc(CS(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001195882856 1005067870 /nfs/dbraw/zinc/06/78/70/1005067870.db2.gz SBBQRUBERNCOIZ-UHFFFAOYSA-N -1 1 356.787 2.573 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCS(=O)(=O)c2ccccc21 ZINC001180409613 1009684713 /nfs/dbraw/zinc/68/47/13/1009684713.db2.gz FGWFNHITHBDJIJ-ZDUSSCGKSA-N -1 1 365.838 2.623 20 10 FFCDMM CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182150975 1010401280 /nfs/dbraw/zinc/40/12/80/1010401280.db2.gz WGTIKWLREYVQRL-FRIZHTMISA-N -1 1 363.454 2.874 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cc(-c3ccccc3)on2)c1 ZINC000748339303 1017106831 /nfs/dbraw/zinc/10/68/31/1017106831.db2.gz LONCQPNYOCPYAZ-UHFFFAOYSA-N -1 1 373.390 2.671 20 10 FFCDMM Cc1nc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)nc(Cl)c1C ZINC001159278883 1027331905 /nfs/dbraw/zinc/33/19/05/1027331905.db2.gz FMENGHRHKWIKBN-UHFFFAOYSA-N -1 1 357.744 2.680 20 10 FFCDMM CCOC(=O)c1cc2cccnc2nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159275849 1027333140 /nfs/dbraw/zinc/33/31/40/1027333140.db2.gz BEKHQYVYKUKBBA-UHFFFAOYSA-N -1 1 367.361 2.513 20 10 FFCDMM O=C(CNc1ncnc2c1ncn2-c1ccccc1)c1ccc([O-])c(O)c1 ZINC001159280336 1027336238 /nfs/dbraw/zinc/33/62/38/1027336238.db2.gz LPETZTMSEKLACO-UHFFFAOYSA-N -1 1 361.361 2.522 20 10 FFCDMM O=C(Nc1cnc(Cl)nc1Cl)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155223081 1028631264 /nfs/dbraw/zinc/63/12/64/1028631264.db2.gz ZSXHQMGYQVEJMA-UHFFFAOYSA-N -1 1 368.132 2.553 20 10 FFCDMM CN(CCC(=O)c1ccccc1)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155226273 1028633647 /nfs/dbraw/zinc/63/36/47/1028633647.db2.gz SNJKYQIUMDXSMX-UHFFFAOYSA-N -1 1 367.357 2.549 20 10 FFCDMM C[C@@H]1CCN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)CCC1(F)F ZINC001155224738 1028633830 /nfs/dbraw/zinc/63/38/30/1028633830.db2.gz SZZQFRZIFCHFLH-SECBINFHSA-N -1 1 353.321 2.712 20 10 FFCDMM CCOC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782557720 1029745118 /nfs/dbraw/zinc/74/51/18/1029745118.db2.gz HWMMRJUVRYLCAH-UHFFFAOYSA-N -1 1 359.334 2.706 20 10 FFCDMM CC(C)N(C)C(=O)c1noc2c1CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142513060 1030562326 /nfs/dbraw/zinc/56/23/26/1030562326.db2.gz VNIGKEPOXPNGRY-UHFFFAOYSA-N -1 1 365.380 2.697 20 10 FFCDMM Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(-c2ccccc2)n1 ZINC000784518722 1030661888 /nfs/dbraw/zinc/66/18/88/1030661888.db2.gz SCDGTDBIRMWZKI-UHFFFAOYSA-N -1 1 352.346 2.538 20 10 FFCDMM O=C(COC(=O)c1cnc(Oc2ccccc2)cn1)c1ccc([O-])c(O)c1 ZINC000784522960 1030664675 /nfs/dbraw/zinc/66/46/75/1030664675.db2.gz VYXDACFCMNMLFM-UHFFFAOYSA-N -1 1 366.329 2.720 20 10 FFCDMM COc1cc(Br)c([O-])c(NC(=O)Cc2ccc(N)cc2)c1 ZINC001218877651 1033392365 /nfs/dbraw/zinc/39/23/65/1033392365.db2.gz NTBGDKYLOAJBLT-UHFFFAOYSA-N -1 1 351.200 2.927 20 10 FFCDMM CC(=O)[C@@H](C)N1CC[C@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967607 1033865638 /nfs/dbraw/zinc/86/56/38/1033865638.db2.gz RJDIMKVGNAKTJI-ADLMAVQZSA-N -1 1 368.836 2.729 20 10 FFCDMM CC[N@H+]1CC[C@@H](Oc2cc(OC)cc3oc4ccc(O)c(=O)c-4c([O-])c23)C1 ZINC001227656592 1035659956 /nfs/dbraw/zinc/65/99/56/1035659956.db2.gz CFERBRSIHRNXFX-LLVKDONJSA-N -1 1 371.389 2.839 20 10 FFCDMM CCN1CC[C@@H](Oc2cc(OC)cc3oc4ccc(O)c(=O)c-4c([O-])c23)C1 ZINC001227656592 1035659958 /nfs/dbraw/zinc/65/99/58/1035659958.db2.gz CFERBRSIHRNXFX-LLVKDONJSA-N -1 1 371.389 2.839 20 10 FFCDMM COc1ccnc(O[C@@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585969 1035671499 /nfs/dbraw/zinc/67/14/99/1035671499.db2.gz XSNZSYIIGQXCMG-GFCCVEGCSA-N -1 1 351.353 2.512 20 10 FFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1CCn2ccnc21 ZINC001228115202 1035940940 /nfs/dbraw/zinc/94/09/40/1035940940.db2.gz MJKVAXXIKXVERG-OAHLLOKOSA-N -1 1 352.346 2.755 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001233306618 1036511767 /nfs/dbraw/zinc/51/17/67/1036511767.db2.gz XLXGLKZHSKMMEF-YGRLFVJLSA-N -1 1 370.243 2.552 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234473806 1037050581 /nfs/dbraw/zinc/05/05/81/1037050581.db2.gz KFHSOQRXHDCREY-LLVKDONJSA-N -1 1 351.399 2.935 20 10 FFCDMM COC[C@H](C)OC[C@@H](C)OC[C@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473781 1037051398 /nfs/dbraw/zinc/05/13/98/1037051398.db2.gz JZQQDRVXZZTAQM-XQQFMLRXSA-N -1 1 356.415 2.524 20 10 FFCDMM CC[C@](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])(C(=O)OC)c1ccccc1 ZINC001207050056 1037101159 /nfs/dbraw/zinc/10/11/59/1037101159.db2.gz QVYXPEAVZASEOD-LJQANCHMSA-N -1 1 374.393 2.877 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2Cc1ccc(C(=O)[O-])cc1O ZINC001231453535 1037595853 /nfs/dbraw/zinc/59/58/53/1037595853.db2.gz MEEHTNCYWZZVAW-GJZGRUSLSA-N -1 1 362.426 2.674 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CCN(Cc3c(F)cccc3F)CC2)c1 ZINC001231566454 1037691831 /nfs/dbraw/zinc/69/18/31/1037691831.db2.gz KXPXGOZSHBSENH-UHFFFAOYSA-N -1 1 362.376 2.686 20 10 FFCDMM CCOc1ccc(N2CCN(Cc3ccccc3OCC(=O)[O-])CC2)cc1 ZINC001231793753 1037916275 /nfs/dbraw/zinc/91/62/75/1037916275.db2.gz IRVIKIQTOAFAFJ-UHFFFAOYSA-N -1 1 370.449 2.871 20 10 FFCDMM COC1C[C@@H]2COC[C@H](C1)N2Cc1cc(C)cc(Br)c1[O-] ZINC001236664620 1038178873 /nfs/dbraw/zinc/17/88/73/1038178873.db2.gz FPZDFWZFOKRYBO-PBWFPOADSA-N -1 1 356.260 2.841 20 10 FFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cnn(-c2ccc(F)cc2)n1 ZINC001256176608 1038419452 /nfs/dbraw/zinc/41/94/52/1038419452.db2.gz VZJUMKKWTRTJKH-UHFFFAOYSA-N -1 1 358.720 2.848 20 10 FFCDMM CC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001262110061 1041563564 /nfs/dbraw/zinc/56/35/64/1041563564.db2.gz PJIXFEOOTBIENW-NSHDSACASA-N -1 1 350.369 2.732 20 10 FFCDMM CC(C)NC(=O)N1CCC12CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001279506183 1043200833 /nfs/dbraw/zinc/20/08/33/1043200833.db2.gz UAHNPWIMRWHGEM-UHFFFAOYSA-N -1 1 357.376 2.789 20 10 FFCDMM C[C@H]1CN(Cc2cccc(I)c2[O-])CCCC1=O ZINC001237774901 1043348735 /nfs/dbraw/zinc/34/87/35/1043348735.db2.gz AJYDNQOGRKTQTB-JTQLQIEISA-N -1 1 359.207 2.798 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935198 1043441281 /nfs/dbraw/zinc/44/12/81/1043441281.db2.gz RCFUMVXKQYSJNO-VXGBXAGGSA-N -1 1 374.840 2.645 20 10 FFCDMM CCOCc1nnn2c1CN(Cc1cc(F)c(Cl)cc1[O-])CCC2 ZINC001237936654 1043444243 /nfs/dbraw/zinc/44/42/43/1043444243.db2.gz KTEGUHYESUOVKC-UHFFFAOYSA-N -1 1 354.813 2.719 20 10 FFCDMM O=c1cccc(CN2CCC23CN(Cc2c([O-])ccc(F)c2Cl)C3)[nH]1 ZINC001279685605 1043467333 /nfs/dbraw/zinc/46/73/33/1043467333.db2.gz YURBRSFEPZPJMV-UHFFFAOYSA-N -1 1 363.820 2.746 20 10 FFCDMM Cc1cc(CN2C[C@H]3C[C@@H](C2)N3Cc2c([O-])ccc(F)c2Cl)n(C)n1 ZINC001279685625 1043467952 /nfs/dbraw/zinc/46/79/52/1043467952.db2.gz ZUGWLMFGRJRSCE-OKILXGFUSA-N -1 1 364.852 2.685 20 10 FFCDMM CC(C)(C)OC(=O)[C@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001313166680 1044256877 /nfs/dbraw/zinc/25/68/77/1044256877.db2.gz KOAMYYQMEIYNFP-TXEJJXNPSA-N -1 1 354.834 2.965 20 10 FFCDMM O=C([O-])C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)C(F)(F)F ZINC001329682035 1048850853 /nfs/dbraw/zinc/85/08/53/1048850853.db2.gz LNFPUYZIHPDKLN-ZETCQYMHSA-N -1 1 356.138 2.898 20 10 FFCDMM O=C(CNC(=O)c1ccccc1Cl)NCc1cccc(Cl)c1[O-] ZINC001305069263 1051795049 /nfs/dbraw/zinc/79/50/49/1051795049.db2.gz AIZNLLCJWRYHJX-UHFFFAOYSA-N -1 1 353.205 2.745 20 10 FFCDMM COc1cc(CC(=O)NCc2cccc(Cl)c2[O-])cc(OC)c1O ZINC001305084007 1051799086 /nfs/dbraw/zinc/79/90/86/1051799086.db2.gz DXAFIOMFWNSMLV-UHFFFAOYSA-N -1 1 351.786 2.627 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC001343611944 1052337308 /nfs/dbraw/zinc/33/73/08/1052337308.db2.gz UACMZUQDDDCJSN-UHFFFAOYSA-N -1 1 364.448 2.800 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(=O)N1CCCC[C@@H]1C ZINC001336734123 1054177042 /nfs/dbraw/zinc/17/70/42/1054177042.db2.gz HTNDTECLZJCJEO-RYUDHWBXSA-N -1 1 353.850 2.634 20 10 FFCDMM CC[C@H](C)c1nc(C)c(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1 ZINC000848867192 1055266572 /nfs/dbraw/zinc/26/65/72/1055266572.db2.gz VUHRJRJFDKWSII-NSHDSACASA-N -1 1 372.421 2.987 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(C[N@H+](Cc1ccccc1F)CC1CC1)cc2=O ZINC000849345757 1056834722 /nfs/dbraw/zinc/83/47/22/1056834722.db2.gz KFSBJGBQSUMCRL-UHFFFAOYSA-N -1 1 370.384 2.684 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN(Cc1ccccc1F)CC1CC1)cc2=O ZINC000849345757 1056834729 /nfs/dbraw/zinc/83/47/29/1056834729.db2.gz KFSBJGBQSUMCRL-UHFFFAOYSA-N -1 1 370.384 2.684 20 10 FFCDMM Cc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1-n1cnnn1 ZINC001475900711 1061307974 /nfs/dbraw/zinc/30/79/74/1061307974.db2.gz ABQJXUUYXYLYFT-UHFFFAOYSA-N -1 1 358.789 2.651 20 10 FFCDMM CCCNS(=O)(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC001461737592 1061394127 /nfs/dbraw/zinc/39/41/27/1061394127.db2.gz NMLMVPJYMPHHPM-UHFFFAOYSA-N -1 1 356.394 2.971 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1(S(=O)(=O)c2ccccc2)CC1 ZINC001558757186 1076070504 /nfs/dbraw/zinc/07/05/04/1076070504.db2.gz STPPTKXXTWKOCP-UHFFFAOYSA-N -1 1 365.838 2.668 20 10 FFCDMM O=C(NCCc1ccc2c(c1)OC(F)(F)O2)c1c(F)ccc(O)c1[O-] ZINC001559007337 1076114295 /nfs/dbraw/zinc/11/42/95/1076114295.db2.gz XLTDGNXMVTZTQI-UHFFFAOYSA-N -1 1 355.268 2.531 20 10 FFCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2cncc([O-])c2)cc1 ZINC000123199111 508650954 /nfs/dbraw/zinc/65/09/54/508650954.db2.gz PMXWYXGAAVRVJZ-LJQANCHMSA-N -1 1 355.438 2.675 20 10 FFCDMM CN1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000276656403 510944284 /nfs/dbraw/zinc/94/42/84/510944284.db2.gz XKUDTZCSVNNRRF-BBRMVZONSA-N -1 1 366.339 2.690 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@H]2OCC[C@H]21 ZINC000277489752 510964569 /nfs/dbraw/zinc/96/45/69/510964569.db2.gz QIMJJUUEBBNALL-IACUBPJLSA-N -1 1 369.259 2.912 20 10 FFCDMM CCc1cc(NC(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000278029429 510977632 /nfs/dbraw/zinc/97/76/32/510977632.db2.gz LJKCQDSDWHFKRU-UHFFFAOYSA-N -1 1 353.220 2.772 20 10 FFCDMM COc1c(O)c(C[NH2+][C@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473366 510993657 /nfs/dbraw/zinc/99/36/57/510993657.db2.gz HVTIPNOYBITLOG-DLUDVSRJSA-N -1 1 364.423 2.518 20 10 FFCDMM CS(=O)(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2O)C1 ZINC000282754342 511097991 /nfs/dbraw/zinc/09/79/91/511097991.db2.gz OKBSADYIPUSZGN-GOSISDBHSA-N -1 1 361.463 2.590 20 10 FFCDMM COc1cc(C=C2SC(=S)[N-]C2=O)cc(OC)c1OCC(F)F ZINC000289871264 511119160 /nfs/dbraw/zinc/11/91/60/511119160.db2.gz HLMQOLRUCYEPHE-BJMVGYQFSA-N -1 1 361.391 2.837 20 10 FFCDMM CC(=O)c1cc(F)cc(CN2CCC(c3nnc4n3CCC4)CC2)c1O ZINC000363143630 511379941 /nfs/dbraw/zinc/37/99/41/511379941.db2.gz GUBVMUQXBNNUIH-UHFFFAOYSA-N -1 1 358.417 2.651 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(CO)(Cc2ccccc2)CC1 ZINC000295707028 511490457 /nfs/dbraw/zinc/49/04/57/511490457.db2.gz UJWGFLWKOMXEHX-UHFFFAOYSA-N -1 1 359.397 2.694 20 10 FFCDMM [O-]c1c(Cl)cc(Cl)cc1CN1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293734585 512068192 /nfs/dbraw/zinc/06/81/92/512068192.db2.gz VDQCTRGGYYURRC-ZDUSSCGKSA-N -1 1 357.241 2.620 20 10 FFCDMM C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000528281978 518162823 /nfs/dbraw/zinc/16/28/23/518162823.db2.gz QEZGYASQYLHUEZ-QISWUMQESA-N -1 1 357.248 2.766 20 10 FFCDMM C1=CCN(c2ccc(CNc3c4ccccc4nnc3-c3nnn[n-]3)cc2)C1 ZINC000735397555 598972020 /nfs/dbraw/zinc/97/20/20/598972020.db2.gz CPIMPJVSODQUFW-UHFFFAOYSA-N -1 1 370.420 2.798 20 10 FFCDMM C1=CCN(c2ccc(CNc3c4ccccc4nnc3-c3nn[n-]n3)cc2)C1 ZINC000735397555 598972022 /nfs/dbraw/zinc/97/20/22/598972022.db2.gz CPIMPJVSODQUFW-UHFFFAOYSA-N -1 1 370.420 2.798 20 10 FFCDMM CNc1cc2c(nn1)CCN(Cc1c(O)c(C(=O)[O-])cc3ccccc31)C2 ZINC000737562435 600313228 /nfs/dbraw/zinc/31/32/28/600313228.db2.gz NIMLOJHAQSRFEF-UHFFFAOYSA-N -1 1 364.405 2.634 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000833896912 605912596 /nfs/dbraw/zinc/91/25/96/605912596.db2.gz ATSVUQQBRWXKHK-MFKMUULPSA-N -1 1 357.248 2.941 20 10 FFCDMM CC[C@H]1C(=O)N(CC)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000779215041 738443895 /nfs/dbraw/zinc/44/38/95/738443895.db2.gz GZYYFWIJCVLEIP-AWEZNQCLSA-N -1 1 355.276 2.906 20 10 FFCDMM CO[C@H]1CCOc2c(NS(=O)(=O)c3cc(F)cc(F)c3[O-])cccc21 ZINC000872368147 731757696 /nfs/dbraw/zinc/75/76/96/731757696.db2.gz CWMFYENMYMGHQB-ZDUSSCGKSA-N -1 1 371.361 2.941 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(=O)N[C@H]3CCCC[C@H]32)c1 ZINC000781905950 738670128 /nfs/dbraw/zinc/67/01/28/738670128.db2.gz SAOASAZFNNVESE-UONOGXRCSA-N -1 1 353.260 2.706 20 10 FFCDMM C[C@@H](Oc1ccccc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782695649 738748938 /nfs/dbraw/zinc/74/89/38/738748938.db2.gz FYESQFGDFIOEQX-SNVBAGLBSA-N -1 1 350.754 2.945 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN(CC(F)(F)F)C1 ZINC000890757748 734336326 /nfs/dbraw/zinc/33/63/26/734336326.db2.gz KJFXNFKWGJALPU-LLVKDONJSA-N -1 1 350.768 2.936 20 10 FFCDMM CC1(C)CNC(=O)c2c(C(=O)NCc3cccc(Cl)c3[O-])coc2C1 ZINC000890762490 734337030 /nfs/dbraw/zinc/33/70/30/734337030.db2.gz FCMMWJBFDBDDIP-UHFFFAOYSA-N -1 1 362.813 2.881 20 10 FFCDMM O=C(Cc1ccc(Br)s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783671271 738825828 /nfs/dbraw/zinc/82/58/28/738825828.db2.gz DHXDQPWBCCPQIB-UHFFFAOYSA-N -1 1 371.208 2.890 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@](CO)(C(F)(F)F)C2)c1[O-] ZINC000895846892 735063774 /nfs/dbraw/zinc/06/37/74/735063774.db2.gz RNYSUQNDOSOSMZ-LBPRGKRZSA-N -1 1 354.712 2.701 20 10 FFCDMM COC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(C)cc(Br)c1[O-] ZINC000895861631 735065758 /nfs/dbraw/zinc/06/57/58/735065758.db2.gz FRUHHHUZKSBPSE-TZMCWYRMSA-N -1 1 372.259 2.663 20 10 FFCDMM COC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])c1cccc(O)c1 ZINC000759871836 736601370 /nfs/dbraw/zinc/60/13/70/736601370.db2.gz XTEYDVNRKPXQHW-MRXNPFEDSA-N -1 1 363.797 2.958 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000762000303 736781068 /nfs/dbraw/zinc/78/10/68/736781068.db2.gz NXRPZSSDDPAPQM-UHFFFAOYSA-N -1 1 351.380 2.678 20 10 FFCDMM O=S(=O)([N-]c1cc(F)ccc1Br)c1cccc2nonc21 ZINC000765101146 737082719 /nfs/dbraw/zinc/08/27/19/737082719.db2.gz DPXBVRPQFRUSCQ-UHFFFAOYSA-N -1 1 372.175 2.925 20 10 FFCDMM O=C(CSc1ccncc1)NCc1cccc(Br)c1[O-] ZINC000765729135 737150176 /nfs/dbraw/zinc/15/01/76/737150176.db2.gz YQCHXDODNJXAHS-UHFFFAOYSA-N -1 1 353.241 2.958 20 10 FFCDMM COc1ccc(O)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765729173 737150226 /nfs/dbraw/zinc/15/02/26/737150226.db2.gz YXINHSOVZFWVMB-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM C[C@@H](CC(=O)[O-])CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369107 737195541 /nfs/dbraw/zinc/19/55/41/737195541.db2.gz NFKNGBXIBOVERP-DOMZBBRYSA-N -1 1 368.861 2.627 20 10 FFCDMM O=C([O-])CCCCC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368485 737195628 /nfs/dbraw/zinc/19/56/28/737195628.db2.gz BVARMQLKGSESOU-OAHLLOKOSA-N -1 1 368.861 2.771 20 10 FFCDMM CCCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000768918476 737477382 /nfs/dbraw/zinc/47/73/82/737477382.db2.gz IVIPAAFCXJUYTM-UHFFFAOYSA-N -1 1 364.423 2.805 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000919806473 737877706 /nfs/dbraw/zinc/87/77/06/737877706.db2.gz XWJNECPOADNGSO-UHFFFAOYSA-N -1 1 372.349 2.617 20 10 FFCDMM CC(C)(C)c1csc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000919810973 737878201 /nfs/dbraw/zinc/87/82/01/737878201.db2.gz BQXZDBSQEYLJCA-UHFFFAOYSA-N -1 1 369.468 2.770 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2ccc(Cl)cc2F)C(=O)[N-]C1=S ZINC000920975650 737937329 /nfs/dbraw/zinc/93/73/29/737937329.db2.gz IWSIHIAKYKXIDI-UXBLZVDNSA-N -1 1 355.822 2.674 20 10 FFCDMM COC(=O)c1cc[nH]c(=O)c1NCc1cc(C)cc(Br)c1[O-] ZINC000787797030 739171248 /nfs/dbraw/zinc/17/12/48/739171248.db2.gz SQSUECBIAAWUCK-UHFFFAOYSA-N -1 1 367.199 2.962 20 10 FFCDMM Cc1ccc(NC(=O)CNC(=O)c2c([O-])c(O)ccc2F)c(Cl)c1 ZINC000790069842 739416252 /nfs/dbraw/zinc/41/62/52/739416252.db2.gz XGGUBCREMCDNEF-UHFFFAOYSA-N -1 1 352.749 2.567 20 10 FFCDMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)ccc1O ZINC000797819982 740275886 /nfs/dbraw/zinc/27/58/86/740275886.db2.gz ZVPGLXKCOHQXIW-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM COC(=O)c1cc(C)nc(NCc2cccc(Br)c2[O-])n1 ZINC000804653758 740892932 /nfs/dbraw/zinc/89/29/32/740892932.db2.gz BLJVBYLQXNKJNB-UHFFFAOYSA-N -1 1 352.188 2.652 20 10 FFCDMM C[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000840438482 747093195 /nfs/dbraw/zinc/09/31/95/747093195.db2.gz QBVRRLHIYIHIDF-VIFPVBQESA-N -1 1 358.232 2.749 20 10 FFCDMM COC(=O)c1nc(CN[C@@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000850516218 749379462 /nfs/dbraw/zinc/37/94/62/749379462.db2.gz SWDMSYARNGSJBL-VIFPVBQESA-N -1 1 365.773 2.986 20 10 FFCDMM O=C([N-]O[C@@H]1CCCCO1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588298 1013088966 /nfs/dbraw/zinc/08/89/66/1013088966.db2.gz ZQSSCEYTFCTMIS-OAHLLOKOSA-N -1 1 353.382 2.976 20 10 FFCDMM CC(C)(C)OC(=O)N1CCCC[C@H]1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000825575801 1013144870 /nfs/dbraw/zinc/14/48/70/1013144870.db2.gz TZOSBSCVERDOHO-NSHDSACASA-N -1 1 368.405 2.756 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[NH+]2CCC3(CC2)OCCO3)c1[O-] ZINC000728195699 959393173 /nfs/dbraw/zinc/39/31/73/959393173.db2.gz MPJLYTSWWKVSRI-UHFFFAOYSA-N -1 1 369.417 2.668 20 10 FFCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000825600505 1013213273 /nfs/dbraw/zinc/21/32/73/1013213273.db2.gz LOEYHFILXPKKGA-UHFFFAOYSA-N -1 1 367.478 2.938 20 10 FFCDMM COCCn1cc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001174552147 1013257871 /nfs/dbraw/zinc/25/78/71/1013257871.db2.gz WULLHAXNSYTQIO-UHFFFAOYSA-N -1 1 363.373 2.754 20 10 FFCDMM CCn1ccnc1CN1C[C@@H]2CC[N@@H+](Cc3cc(F)c(F)cc3O)[C@@H]2C1 ZINC001279107639 962715478 /nfs/dbraw/zinc/71/54/78/962715478.db2.gz OGOFOBPETFXEKB-SUMWQHHRSA-N -1 1 362.424 2.593 20 10 FFCDMM CNC(=O)c1cc(Nc2cc(Br)cc(Cl)c2[O-])ccn1 ZINC001175416651 1013474774 /nfs/dbraw/zinc/47/47/74/1013474774.db2.gz JYTJOSDFCQZWGK-UHFFFAOYSA-N -1 1 356.607 2.728 20 10 FFCDMM CN(CCC=C1c2ccccc2CCc2ccccc21)C(=O)Cc1nn[n-]n1 ZINC001176842458 1013786933 /nfs/dbraw/zinc/78/69/33/1013786933.db2.gz IZDFADLUTUEAEO-UHFFFAOYSA-N -1 1 373.460 2.821 20 10 FFCDMM COc1c([O-])c([C@H]2NC(C)(C)C(=O)N2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840824716 973383552 /nfs/dbraw/zinc/38/35/52/973383552.db2.gz NKVDRLFYLAAVAI-INIZCTEOSA-N -1 1 357.366 2.723 20 10 FFCDMM C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001142509010 982464649 /nfs/dbraw/zinc/46/46/49/982464649.db2.gz SWTWIQROPUBCHA-CYBMUJFWSA-N -1 1 372.412 2.738 20 10 FFCDMM NC(=O)c1ccc(O[C@@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142530388 982612290 /nfs/dbraw/zinc/61/22/90/982612290.db2.gz GVSZUCNUFFMYRA-OAHLLOKOSA-N -1 1 362.376 2.813 20 10 FFCDMM C[C@H](NCc1c2cc(F)ccc2n(C)c1C(=O)[O-])c1nnc2ccccn21 ZINC001593286151 994642889 /nfs/dbraw/zinc/64/28/89/994642889.db2.gz OQQRUKDSKKNOAI-NSHDSACASA-N -1 1 367.384 2.909 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000812297575 995408860 /nfs/dbraw/zinc/40/88/60/995408860.db2.gz ZJQUEVVMOJCTEQ-INIZCTEOSA-N -1 1 363.417 2.972 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](n3cccn3)C2)c1[O-] ZINC000812297575 995408867 /nfs/dbraw/zinc/40/88/67/995408867.db2.gz ZJQUEVVMOJCTEQ-INIZCTEOSA-N -1 1 363.417 2.972 20 10 FFCDMM COc1ccc(CN[C@@H](C(=O)[O-])c2ccccc2F)cc1Cn1cccn1 ZINC001599571360 998370862 /nfs/dbraw/zinc/37/08/62/998370862.db2.gz QWVNBVIITWEORE-LJQANCHMSA-N -1 1 369.396 2.995 20 10 FFCDMM O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1cc(F)c(F)cc1[O-] ZINC001276191757 1016501631 /nfs/dbraw/zinc/50/16/31/1016501631.db2.gz SLPGJYDZFHIUJK-HNNXBMFYSA-N -1 1 364.314 2.800 20 10 FFCDMM CN(C)c1cc(CNC(=O)c2c(F)ccc(O)c2[O-])c2ccccc2n1 ZINC000789991530 1002250628 /nfs/dbraw/zinc/25/06/28/1002250628.db2.gz YBWZVRUPYUFHPV-UHFFFAOYSA-N -1 1 355.369 2.781 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(CC3CC3)C(C)C)cc12 ZINC001184360487 1002567516 /nfs/dbraw/zinc/56/75/16/1002567516.db2.gz ZJCYFZIZDLDHNL-UHFFFAOYSA-N -1 1 372.465 2.886 20 10 FFCDMM CCOC(=O)CN(Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774825574 1002795783 /nfs/dbraw/zinc/79/57/83/1002795783.db2.gz HSVMCCSXFUNEIK-UHFFFAOYSA-N -1 1 374.393 2.874 20 10 FFCDMM COc1ccccc1-n1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1=O ZINC001170320500 1003108661 /nfs/dbraw/zinc/10/86/61/1003108661.db2.gz DNSYUZGGVGOBRJ-UHFFFAOYSA-N -1 1 366.373 2.552 20 10 FFCDMM O=C(CNc1ccnc(OCc2ccccn2)c1)c1ccc([O-])c(O)c1 ZINC001170321026 1003110026 /nfs/dbraw/zinc/11/00/26/1003110026.db2.gz VPHNPYWUVDKVBB-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM O=C(CNc1cnc2cc(Br)ccn21)c1ccc([O-])c(O)c1 ZINC001170322166 1003110509 /nfs/dbraw/zinc/11/05/09/1003110509.db2.gz FXRZUJLSKUXBON-UHFFFAOYSA-N -1 1 362.183 2.803 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2nc3ccccc3[nH]2)CC1 ZINC001193232301 1004411992 /nfs/dbraw/zinc/41/19/92/1004411992.db2.gz HMUGKSZTPJZDGQ-UHFFFAOYSA-N -1 1 372.812 2.590 20 10 FFCDMM COc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc(-n2cncn2)c1 ZINC001193230032 1004429441 /nfs/dbraw/zinc/42/94/41/1004429441.db2.gz PBOKMWCMXFDMMO-UHFFFAOYSA-N -1 1 360.757 2.593 20 10 FFCDMM C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193228974 1004429806 /nfs/dbraw/zinc/42/98/06/1004429806.db2.gz BVYXZAKUUNVDTM-SECBINFHSA-N -1 1 373.796 2.864 20 10 FFCDMM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(O)cc1C(F)(F)F ZINC001198782663 1004726168 /nfs/dbraw/zinc/72/61/68/1004726168.db2.gz NCOCLSBAWFXCLB-UHFFFAOYSA-N -1 1 361.297 2.910 20 10 FFCDMM O=S(=O)([N-]c1ccc(O)c(F)c1F)c1ncccc1C(F)(F)F ZINC001194561694 1004760270 /nfs/dbraw/zinc/76/02/70/1004760270.db2.gz HFTKNLILJVSMMJ-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM CO[C@](C)(CNC(=O)c1c(F)ccc(O)c1[O-])COCc1ccccc1 ZINC000857308109 1008117486 /nfs/dbraw/zinc/11/74/86/1008117486.db2.gz HQKMECJEIRKEBF-LJQANCHMSA-N -1 1 363.385 2.589 20 10 FFCDMM Cc1cc(S(C)(=O)=O)cc(C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC001180410392 1009684420 /nfs/dbraw/zinc/68/44/20/1009684420.db2.gz PENLPTJJEDFMRE-UHFFFAOYSA-N -1 1 367.854 2.996 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@]2(CC(=O)c3ccccc3O2)C1 ZINC000863938076 1010363155 /nfs/dbraw/zinc/36/31/55/1010363155.db2.gz KZVVWWKXABPOHO-FQEVSTJZSA-N -1 1 371.364 2.877 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1ccccn1 ZINC000773316185 1011321296 /nfs/dbraw/zinc/32/12/96/1011321296.db2.gz UBJOMDOBCMKQAF-AWEZNQCLSA-N -1 1 367.409 2.598 20 10 FFCDMM Cc1ncccc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217055866 1032599675 /nfs/dbraw/zinc/59/96/75/1032599675.db2.gz BSTVWFRPTORFDX-UHFFFAOYSA-N -1 1 352.394 2.645 20 10 FFCDMM O=C(CCCCNC(=O)c1c(F)ccc(O)c1[O-])OCc1ccccc1 ZINC000828183950 1032618244 /nfs/dbraw/zinc/61/82/44/1032618244.db2.gz PJWJUIYKFFFKNM-UHFFFAOYSA-N -1 1 361.369 2.880 20 10 FFCDMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)n1-c1ccccc1C ZINC000156560739 1022375057 /nfs/dbraw/zinc/37/50/57/1022375057.db2.gz OIBWKJYQOZIJEG-CYBMUJFWSA-N -1 1 352.442 2.791 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1F ZINC000188454033 1023087070 /nfs/dbraw/zinc/08/70/70/1023087070.db2.gz HKYXQOWFTCYNIK-UHFFFAOYSA-N -1 1 362.361 2.611 20 10 FFCDMM COC(=O)[C@]1(C)CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000759752447 1024764841 /nfs/dbraw/zinc/76/48/41/1024764841.db2.gz VHRNVOWIIRXOKK-OAQYLSRUSA-N -1 1 369.417 2.714 20 10 FFCDMM COC(=O)[C@]1(C)CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000759752447 1024764849 /nfs/dbraw/zinc/76/48/49/1024764849.db2.gz VHRNVOWIIRXOKK-OAQYLSRUSA-N -1 1 369.417 2.714 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@](O)(C(F)F)C2)c1[O-] ZINC000840119824 1026964593 /nfs/dbraw/zinc/96/45/93/1026964593.db2.gz ULLSUISRCLMWAC-LJQANCHMSA-N -1 1 363.360 2.531 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@](O)(C(F)F)C2)c1[O-] ZINC000840119824 1026964596 /nfs/dbraw/zinc/96/45/96/1026964596.db2.gz ULLSUISRCLMWAC-LJQANCHMSA-N -1 1 363.360 2.531 20 10 FFCDMM Cc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1NS(C)(=O)=O ZINC001159033437 1027239019 /nfs/dbraw/zinc/23/90/19/1027239019.db2.gz IRPUKGPZQAIDQG-UHFFFAOYSA-N -1 1 368.842 2.656 20 10 FFCDMM O=C(CNc1cnc(OCc2ccccc2)cn1)c1ccc([O-])c(O)c1 ZINC001159279762 1027334816 /nfs/dbraw/zinc/33/48/16/1027334816.db2.gz XNYGFCHVPUWVKR-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM Cc1cc2c(ncnc2NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)s1 ZINC001155218155 1028629744 /nfs/dbraw/zinc/62/97/44/1028629744.db2.gz JODWZHOGXGSTCW-UHFFFAOYSA-N -1 1 369.358 2.770 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCc2cc(F)c(F)cc2C1 ZINC001155227877 1028634961 /nfs/dbraw/zinc/63/49/61/1028634961.db2.gz GELZEMSCLPWMIP-UHFFFAOYSA-N -1 1 373.311 2.681 20 10 FFCDMM O=C(N[C@H](c1cncc(F)c1)C1CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235942 1028642332 /nfs/dbraw/zinc/64/23/32/1028642332.db2.gz VQOKVPBYUKRWOL-KRWDZBQOSA-N -1 1 370.336 2.619 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2[nH]c(=O)[nH]c21 ZINC001156792336 1029347681 /nfs/dbraw/zinc/34/76/81/1029347681.db2.gz MEBKHPQDAKKGBV-UHFFFAOYSA-N -1 1 362.183 2.667 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1nnc(-c2ccco2)o1 ZINC001156792463 1029348047 /nfs/dbraw/zinc/34/80/47/1029348047.db2.gz NWPYJGXJRQDEGZ-UHFFFAOYSA-N -1 1 364.155 2.728 20 10 FFCDMM CC(C)(C)c1noc(CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)n1 ZINC000782854606 1029838415 /nfs/dbraw/zinc/83/84/15/1029838415.db2.gz WVVFBNILULZIEO-UHFFFAOYSA-N -1 1 362.382 2.527 20 10 FFCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc2c(c1)OCCO2 ZINC000783296364 1030018192 /nfs/dbraw/zinc/01/81/92/1030018192.db2.gz FHEVQQKTUXRDCC-UHFFFAOYSA-N -1 1 372.373 2.573 20 10 FFCDMM Cc1oc(-c2ccco2)nc1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783336716 1030038798 /nfs/dbraw/zinc/03/87/98/1030038798.db2.gz OKOSUBQZYRVVBG-UHFFFAOYSA-N -1 1 357.318 2.623 20 10 FFCDMM Cc1c2ccccc2oc(=O)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784086701 1030459509 /nfs/dbraw/zinc/45/95/09/1030459509.db2.gz ZNIIARDJLFSRAY-UHFFFAOYSA-N -1 1 354.314 2.552 20 10 FFCDMM Cn1cc2c(n1)CN(Cc1cc(F)c(F)cc1[O-])C[C@H]2COCC1CC1 ZINC001142512941 1030562604 /nfs/dbraw/zinc/56/26/04/1030562604.db2.gz QPPCHFNGSDNBGG-AWEZNQCLSA-N -1 1 363.408 2.930 20 10 FFCDMM COCCOc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC001204158741 1031138524 /nfs/dbraw/zinc/13/85/24/1031138524.db2.gz PFIMWSCACIBBJQ-UHFFFAOYSA-N -1 1 370.449 2.732 20 10 FFCDMM CCOC(=O)[C@H](CC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228111123 1035938438 /nfs/dbraw/zinc/93/84/38/1035938438.db2.gz RGRFQNRZRRGBBT-HNNXBMFYSA-N -1 1 360.362 2.755 20 10 FFCDMM CC(=O)[C@@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228188328 1035981083 /nfs/dbraw/zinc/98/10/83/1035981083.db2.gz BFBMDBSCRURAGJ-HWPZZCPQSA-N -1 1 358.346 2.866 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCC(N2CC(F)C2)CC1 ZINC001233031770 1036270107 /nfs/dbraw/zinc/27/01/07/1036270107.db2.gz LSMPRKAZYPPFKI-UHFFFAOYSA-N -1 1 361.230 2.912 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@H]2C)c1 ZINC001233309485 1036514429 /nfs/dbraw/zinc/51/44/29/1036514429.db2.gz LKANGEKDXBPXPU-ZWNOBZJWSA-N -1 1 372.259 2.941 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCCn2c1cnc2C(=O)OC ZINC001233495882 1036659913 /nfs/dbraw/zinc/65/99/13/1036659913.db2.gz MZQWFTULKLSLER-MRXNPFEDSA-N -1 1 374.393 2.978 20 10 FFCDMM COCCCN1CC[C@]2(CCCN2Cc2cc(Cl)cc(F)c2[O-])C1=O ZINC001277386805 1036669017 /nfs/dbraw/zinc/66/90/17/1036669017.db2.gz BQIKDUZNMHLEGN-GOSISDBHSA-N -1 1 370.852 2.788 20 10 FFCDMM COC(=O)[C@H]1C[C@H](Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229829647 1036921895 /nfs/dbraw/zinc/92/18/95/1036921895.db2.gz WWPMLVCMYHNBHS-HAQNSBGRSA-N -1 1 366.369 2.806 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CO[C@H]3OCC[C@@H]13)C(=O)c1ccccc1C2=O ZINC001229829104 1036922869 /nfs/dbraw/zinc/92/28/69/1036922869.db2.gz MKDMKLZIGIFRIP-UYTHQXMGSA-N -1 1 366.369 2.616 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CCCOC1=O)C(=O)c1ccccc1C2=O ZINC001229829311 1036923684 /nfs/dbraw/zinc/92/36/84/1036923684.db2.gz QTBSIBGTZQMACX-OAHLLOKOSA-N -1 1 352.342 2.560 20 10 FFCDMM Cc1cc2n(n1)c(=O)cc(C)n2Cc1cc(F)cc(Br)c1[O-] ZINC001235301130 1037462526 /nfs/dbraw/zinc/46/25/26/1037462526.db2.gz CZVJTHFIQLKCFX-UHFFFAOYSA-N -1 1 366.190 2.768 20 10 FFCDMM CN(Cc1cncc(Br)c1)Cc1cc(C(=O)[O-])ccc1O ZINC001231563401 1037687092 /nfs/dbraw/zinc/68/70/92/1037687092.db2.gz PHSNZKARPDODNO-UHFFFAOYSA-N -1 1 351.200 2.880 20 10 FFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CC2(CCN2Cc2cn[nH]c2)C1 ZINC001279664243 1043428103 /nfs/dbraw/zinc/42/81/03/1043428103.db2.gz YTKPHHGNYJNMDO-UHFFFAOYSA-N -1 1 353.253 2.882 20 10 FFCDMM CC(C)NC(=O)N1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)C1 ZINC001279676766 1043448875 /nfs/dbraw/zinc/44/88/75/1043448875.db2.gz PHLPHVNUNDMGIN-UHFFFAOYSA-N -1 1 358.269 2.935 20 10 FFCDMM O=S(=O)(C[C@H]1CC[C@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC001309940715 1043599852 /nfs/dbraw/zinc/59/98/52/1043599852.db2.gz LTFNXQGDKDJQHT-MWLCHTKSSA-N -1 1 373.780 2.575 20 10 FFCDMM Cc1cnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@H](C)C3)c(F)c2)c([O-])c1 ZINC001543233486 1071422970 /nfs/dbraw/zinc/42/29/70/1071422970.db2.gz MTZRKVZGKYKVPI-ZIAGYGMSSA-N -1 1 373.428 2.778 20 10 FFCDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cc4ccccc4o3)C2)cc1 ZINC000849416201 1056849008 /nfs/dbraw/zinc/84/90/08/1056849008.db2.gz MDFTXCZEQYJTLE-OAHLLOKOSA-N -1 1 372.446 2.999 20 10 FFCDMM Cc1cc(C=O)c([O-])c(C(=O)NCc2cccc(Br)c2O)c1 ZINC001448956004 1058845575 /nfs/dbraw/zinc/84/55/75/1058845575.db2.gz CRZDUJZFXHHPNJ-UHFFFAOYSA-N -1 1 364.195 2.911 20 10 FFCDMM O=C(Cc1cnn2ccccc12)NCc1cccc(Br)c1[O-] ZINC001448957250 1058846353 /nfs/dbraw/zinc/84/63/53/1058846353.db2.gz FHTOXZLKJJUSIC-UHFFFAOYSA-N -1 1 360.211 2.661 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1coc(Sc2ncccn2)n1 ZINC001457035976 1060259871 /nfs/dbraw/zinc/25/98/71/1060259871.db2.gz MBICFNFYBRHRRL-UHFFFAOYSA-N -1 1 362.798 2.905 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnn(-c2ccccc2)c1 ZINC001562009000 1076464824 /nfs/dbraw/zinc/46/48/24/1076464824.db2.gz YGMFEOTUZJQVLX-UHFFFAOYSA-N -1 1 363.826 2.710 20 10 FFCDMM C[C@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984215 1080922799 /nfs/dbraw/zinc/92/27/99/1080922799.db2.gz KSWQBTRMGPTDNO-NSHDSACASA-N -1 1 352.398 2.574 20 10 FFCDMM O=C(Nc1ccccc1)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276472438 510940812 /nfs/dbraw/zinc/94/08/12/510940812.db2.gz CWIQAWZGLZILQA-UHFFFAOYSA-N -1 1 358.369 2.728 20 10 FFCDMM C[C@H](O)CC(C)(C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277752909 510972399 /nfs/dbraw/zinc/97/23/99/510972399.db2.gz NQNLRDLEHKGOCQ-JTQLQIEISA-N -1 1 359.264 2.751 20 10 FFCDMM CCc1nnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277997116 510977062 /nfs/dbraw/zinc/97/70/62/510977062.db2.gz JLWXBJGYBMTKGP-UHFFFAOYSA-N -1 1 357.233 2.890 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@H](CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294824427 511190716 /nfs/dbraw/zinc/19/07/16/511190716.db2.gz HBLUYKSXRRYSIM-NSHDSACASA-N -1 1 368.405 2.614 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CC3CCCCC3)no2)c1 ZINC000273925716 511658286 /nfs/dbraw/zinc/65/82/86/511658286.db2.gz RYAPBOLQHQFDNI-UHFFFAOYSA-N -1 1 351.428 2.937 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1Cc1ccccc1 ZINC000823505332 599309629 /nfs/dbraw/zinc/30/96/29/599309629.db2.gz ZYQKAUMGAHEMMF-JYRVWZFOSA-N -1 1 369.431 2.861 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1Cc1ccccc1 ZINC000823505332 599309630 /nfs/dbraw/zinc/30/96/30/599309630.db2.gz ZYQKAUMGAHEMMF-JYRVWZFOSA-N -1 1 369.431 2.861 20 10 FFCDMM COc1cccc(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1O ZINC000833735036 604636993 /nfs/dbraw/zinc/63/69/93/604636993.db2.gz AVPRSHVLOROREQ-UHFFFAOYSA-N -1 1 351.786 2.847 20 10 FFCDMM Cn1cnnc1-c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000123993884 728665606 /nfs/dbraw/zinc/66/56/06/728665606.db2.gz PVXJNQYUEOUWHA-UHFFFAOYSA-N -1 1 360.215 2.957 20 10 FFCDMM O=C(c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1F)N1CCCC1 ZINC000182406683 729277040 /nfs/dbraw/zinc/27/70/40/729277040.db2.gz FDCMVAREFHCTOQ-UHFFFAOYSA-N -1 1 364.398 2.568 20 10 FFCDMM O=C1N[C@H](c2cccc(Cl)c2[O-])Nc2ccc(N3CCOCC3)cc21 ZINC000193508606 729481271 /nfs/dbraw/zinc/48/12/71/729481271.db2.gz QLQRMKLNSMIALM-QGZVFWFLSA-N -1 1 359.813 2.736 20 10 FFCDMM Cc1cc2cc[nH]c2cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000781537495 738635153 /nfs/dbraw/zinc/63/51/53/738635153.db2.gz FIQAICQVJHMEJD-UHFFFAOYSA-N -1 1 359.407 2.806 20 10 FFCDMM COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000781866769 738665765 /nfs/dbraw/zinc/66/57/65/738665765.db2.gz XORHYZFTPGAXTO-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(=O)N[C@H]3CCCC[C@@H]32)c1 ZINC000781905948 738670084 /nfs/dbraw/zinc/67/00/84/738670084.db2.gz SAOASAZFNNVESE-KBPBESRZSA-N -1 1 353.260 2.706 20 10 FFCDMM CS(=O)(=O)CCOc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883165394 733345493 /nfs/dbraw/zinc/34/54/93/733345493.db2.gz DCYRKQJXQDWYHS-UHFFFAOYSA-N -1 1 357.378 2.706 20 10 FFCDMM C[C@H](Oc1cccc(Cl)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782470448 738724549 /nfs/dbraw/zinc/72/45/49/738724549.db2.gz QOCYFXSRMILRJS-JTQLQIEISA-N -1 1 350.754 2.945 20 10 FFCDMM CC(C)C(=O)Nc1nc(CC(=O)NCc2cccc(Cl)c2[O-])cs1 ZINC000890757454 734336300 /nfs/dbraw/zinc/33/63/00/734336300.db2.gz DSUKCSJDRDYYKW-UHFFFAOYSA-N -1 1 367.858 2.956 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@H](C(=O)NCc3cccc(Cl)c3[O-])[C@H]2C1 ZINC000890759149 734336634 /nfs/dbraw/zinc/33/66/34/734336634.db2.gz DXJBVZPQVTXVHJ-IMRBUKKESA-N -1 1 366.845 2.775 20 10 FFCDMM CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759435 734336947 /nfs/dbraw/zinc/33/69/47/734336947.db2.gz BNXPJHHZRSFZAX-CQSZACIVSA-N -1 1 367.877 2.739 20 10 FFCDMM CCO[C@H](C)c1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000783903751 738847347 /nfs/dbraw/zinc/84/73/47/738847347.db2.gz NQULFZWPTZZPMT-SECBINFHSA-N -1 1 351.380 2.692 20 10 FFCDMM C[C@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894256040 734826092 /nfs/dbraw/zinc/82/60/92/734826092.db2.gz BLWAKBWCNXHQOM-SNVBAGLBSA-N -1 1 357.838 2.758 20 10 FFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)csc2C)cc1 ZINC000901861051 735853617 /nfs/dbraw/zinc/85/36/17/735853617.db2.gz PEXVXWRZGHSSBP-UHFFFAOYSA-N -1 1 374.509 2.927 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccnn1CC1CCC1 ZINC000908329119 736758791 /nfs/dbraw/zinc/75/87/91/736758791.db2.gz PMLHQGVCNWSCCD-UHFFFAOYSA-N -1 1 355.847 2.521 20 10 FFCDMM CC(C)CCn1cc(C(=O)NCc2cccc(Br)c2[O-])nn1 ZINC000765771314 737156902 /nfs/dbraw/zinc/15/69/02/737156902.db2.gz ZXTGOPDQPUMMLQ-UHFFFAOYSA-N -1 1 367.247 2.722 20 10 FFCDMM [O-]c1c(Br)cccc1CNC(=S)NC[C@H]1CCCCO1 ZINC000765992740 737181554 /nfs/dbraw/zinc/18/15/54/737181554.db2.gz NRPGTZPOABNEBL-LLVKDONJSA-N -1 1 359.289 2.688 20 10 FFCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773085620 737869738 /nfs/dbraw/zinc/86/97/38/737869738.db2.gz ZGHWOTDDGQYIFO-LBPRGKRZSA-N -1 1 366.439 2.562 20 10 FFCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c([O-])cccc1Cl ZINC000920453251 737908393 /nfs/dbraw/zinc/90/83/93/737908393.db2.gz BQEVGBCCIPSGHY-UHFFFAOYSA-N -1 1 364.804 2.951 20 10 FFCDMM Cc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c(Cl)c1 ZINC000920975311 737937442 /nfs/dbraw/zinc/93/74/42/737937442.db2.gz DDRJUCWSVWRXAR-YRNVUSSQSA-N -1 1 351.859 2.844 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000920980743 737937834 /nfs/dbraw/zinc/93/78/34/737937834.db2.gz ZJPPWHGLESUUEV-ZEVOCZHWSA-N -1 1 365.886 2.774 20 10 FFCDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000776748627 738228822 /nfs/dbraw/zinc/22/88/22/738228822.db2.gz USGKUEHETBVJJI-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM COc1cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)ccc1[N+](=O)[O-] ZINC000776751408 738229991 /nfs/dbraw/zinc/22/99/91/738229991.db2.gz VBSCULZSTQOZTM-UHFFFAOYSA-N -1 1 358.759 2.763 20 10 FFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)c(Br)c1 ZINC000794578174 739906612 /nfs/dbraw/zinc/90/66/12/739906612.db2.gz FWDPXFYZNJNVTF-UHFFFAOYSA-N -1 1 358.213 2.964 20 10 FFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)[C@H]1OCCc2sccc21 ZINC000796503976 740148280 /nfs/dbraw/zinc/14/82/80/740148280.db2.gz GSLHABYZWDMHEQ-DYZYQPBXSA-N -1 1 362.403 2.835 20 10 FFCDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)ccc1F ZINC000797819468 740275813 /nfs/dbraw/zinc/27/58/13/740275813.db2.gz KBYXRLXKUUOFJP-UHFFFAOYSA-N -1 1 369.370 2.517 20 10 FFCDMM O=C(COC(=O)c1cc(O)cc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000811308163 741505993 /nfs/dbraw/zinc/50/59/93/741505993.db2.gz JVWDFYZLYAKCAI-UHFFFAOYSA-N -1 1 356.252 2.862 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@H]3CCC[C@@H]32)c1 ZINC000825203321 743227974 /nfs/dbraw/zinc/22/79/74/743227974.db2.gz ZUEYMFAUOCWNTB-KBPBESRZSA-N -1 1 374.300 2.615 20 10 FFCDMM COc1c([O-])c(CN2C[C@@H](C)O[C@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000827785421 744977322 /nfs/dbraw/zinc/97/73/22/744977322.db2.gz BTTHZFMGPKIWTJ-MWLCHTKSSA-N -1 1 364.320 2.851 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2n(n1)CCCC2 ZINC000830529543 745375904 /nfs/dbraw/zinc/37/59/04/745375904.db2.gz KXYJFXXYOXYEBP-UHFFFAOYSA-N -1 1 350.216 2.618 20 10 FFCDMM COC1(CCNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000836475886 746233349 /nfs/dbraw/zinc/23/33/49/746233349.db2.gz ZZFRPYDPNNGCHS-UHFFFAOYSA-N -1 1 357.248 2.913 20 10 FFCDMM CCc1ncc(CNC(=O)NCc2cccc(Br)c2[O-])o1 ZINC000836637318 746273758 /nfs/dbraw/zinc/27/37/58/746273758.db2.gz YOJRTUVSHKEJRN-UHFFFAOYSA-N -1 1 354.204 2.705 20 10 FFCDMM O=C(COC(=O)[C@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000845316011 748225794 /nfs/dbraw/zinc/22/57/94/748225794.db2.gz FAMCKYHVIKRTFA-MNOVXSKESA-N -1 1 362.300 2.571 20 10 FFCDMM CN(C)c1cccc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000322663755 845803081 /nfs/dbraw/zinc/80/30/81/845803081.db2.gz CBKSQVWJYNCXJZ-UHFFFAOYSA-N -1 1 354.815 2.905 20 10 FFCDMM O=C([O-])CC[N@H+](Cc1c(O)cccc1Br)C1CCOCC1 ZINC001595055890 951497533 /nfs/dbraw/zinc/49/75/33/951497533.db2.gz KPROBIARTGATPO-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM O=C([O-])CC[N@H+](Cc1c([O-])cccc1Br)C1CCOCC1 ZINC001595055890 951497538 /nfs/dbraw/zinc/49/75/38/951497538.db2.gz KPROBIARTGATPO-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM O=C([O-])CC[N@@H+](Cc1c([O-])cccc1Br)C1CCOCC1 ZINC001595055890 951497541 /nfs/dbraw/zinc/49/75/41/951497541.db2.gz KPROBIARTGATPO-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM O=C(CN1CC[C@H](c2ccccc2)NC1=O)NCc1cccc(Cl)c1[O-] ZINC000890761341 960323991 /nfs/dbraw/zinc/32/39/91/960323991.db2.gz OWOGPZDIEJRTSY-MRXNPFEDSA-N -1 1 373.840 2.818 20 10 FFCDMM Cc1nn(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1-c1ccccc1 ZINC000785010441 962419695 /nfs/dbraw/zinc/41/96/95/962419695.db2.gz LLWKOCLRVZKXMN-UHFFFAOYSA-N -1 1 366.373 2.696 20 10 FFCDMM O=C(COC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccc([O-])c(O)c1 ZINC000782750227 969524401 /nfs/dbraw/zinc/52/44/01/969524401.db2.gz OFYJUXSYHGHYKB-UHFFFAOYSA-N -1 1 356.309 2.667 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@]1(CO)CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000896980427 973114203 /nfs/dbraw/zinc/11/42/03/973114203.db2.gz RUJIESHGEZOORC-SFHVURJKSA-N -1 1 372.412 2.522 20 10 FFCDMM COc1c([O-])c([C@@H]2NC(C)(C)C(=O)N2c2ccccc2)ccc1[N+](=O)[O-] ZINC000840824718 973383424 /nfs/dbraw/zinc/38/34/24/973383424.db2.gz NKVDRLFYLAAVAI-MRXNPFEDSA-N -1 1 357.366 2.723 20 10 FFCDMM O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)c1ccc([O-])c(O)c1 ZINC000058799655 984662776 /nfs/dbraw/zinc/66/27/76/984662776.db2.gz IFIJRIKMOLWOAZ-UHFFFAOYSA-N -1 1 364.283 2.653 20 10 FFCDMM O=C1CCC[C@H]2C[N@H+](Cc3cccc(I)c3[O-])C[C@H]12 ZINC001237785073 992719419 /nfs/dbraw/zinc/71/94/19/992719419.db2.gz CBRCENUJEGSTQF-JQWIXIFHSA-N -1 1 371.218 2.798 20 10 FFCDMM C[C@@H](NCc1c2cc(F)ccc2n(C)c1C(=O)[O-])c1nnc2ccccn21 ZINC001593286150 994642324 /nfs/dbraw/zinc/64/23/24/994642324.db2.gz OQQRUKDSKKNOAI-LLVKDONJSA-N -1 1 367.384 2.909 20 10 FFCDMM COc1ccc(OC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000825492897 997397171 /nfs/dbraw/zinc/39/71/71/997397171.db2.gz HXFOJVCXNVVFKT-UHFFFAOYSA-N -1 1 361.369 2.929 20 10 FFCDMM COc1cc(Br)cc(CNCc2cc(C(=O)[O-])co2)c1O ZINC001599346638 998018728 /nfs/dbraw/zinc/01/87/28/998018728.db2.gz NVOPTEJNLZMKSX-UHFFFAOYSA-N -1 1 356.172 2.744 20 10 FFCDMM [O-]c1cc(F)c(Br)cc1CN1CCC[C@H](n2cncn2)C1 ZINC001144306879 998301115 /nfs/dbraw/zinc/30/11/15/998301115.db2.gz VGVRPFDZRHXPIR-NSHDSACASA-N -1 1 355.211 2.722 20 10 FFCDMM [O-]c1cc(F)c(Br)cc1CN1CC[C@H](Oc2ncccn2)C1 ZINC001144308841 998306485 /nfs/dbraw/zinc/30/64/85/998306485.db2.gz ZMPASAOLUZALPW-NSHDSACASA-N -1 1 368.206 2.737 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)c1cc(Br)cs1 ZINC001147920154 1001007940 /nfs/dbraw/zinc/00/79/40/1001007940.db2.gz BBLJENDAGDENLC-UHFFFAOYSA-N -1 1 356.197 2.535 20 10 FFCDMM COC(=O)C[C@H]1CCC[N@@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000771867345 1001223901 /nfs/dbraw/zinc/22/39/01/1001223901.db2.gz HZPVYKDKCZSICV-OAHLLOKOSA-N -1 1 369.417 2.856 20 10 FFCDMM COC(=O)C[C@H]1CCC[N@H+]1Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000771867345 1001223907 /nfs/dbraw/zinc/22/39/07/1001223907.db2.gz HZPVYKDKCZSICV-OAHLLOKOSA-N -1 1 369.417 2.856 20 10 FFCDMM O=C(CNc1nc(Cl)nc2c1CCSC2)c1ccc([O-])c(O)c1 ZINC001170316611 1003105736 /nfs/dbraw/zinc/10/57/36/1003105736.db2.gz UEQBONILZLLVGU-UHFFFAOYSA-N -1 1 351.815 2.625 20 10 FFCDMM O=C(CNc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)c1ccc([O-])c(O)c1 ZINC001170316656 1003105867 /nfs/dbraw/zinc/10/58/67/1003105867.db2.gz WUBJVEMAXIUJRW-UHFFFAOYSA-N -1 1 366.333 2.758 20 10 FFCDMM CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001191446202 1003833051 /nfs/dbraw/zinc/83/30/51/1003833051.db2.gz WTHKDIDVMJQNSE-UHFFFAOYSA-N -1 1 357.334 2.648 20 10 FFCDMM O=C(NC1CCN(C(=O)C2CCCC2)CC1)c1ccc(O)c([O-])c1Cl ZINC001193237112 1004413607 /nfs/dbraw/zinc/41/36/07/1004413607.db2.gz WQSJIGNCFZIRLX-UHFFFAOYSA-N -1 1 366.845 2.662 20 10 FFCDMM COC(=O)c1c2n[nH]cc2ccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193228982 1004429566 /nfs/dbraw/zinc/42/95/66/1004429566.db2.gz BZJPVWZHZQZAQQ-UHFFFAOYSA-N -1 1 361.741 2.666 20 10 FFCDMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(O)c(C)c1 ZINC000776747387 1006873489 /nfs/dbraw/zinc/87/34/89/1006873489.db2.gz CTXNGRJSLXEZJM-UHFFFAOYSA-N -1 1 372.402 2.836 20 10 FFCDMM Cc1cc(C=O)c([O-])c(C(=O)NCc2ccc(N3CCSCC3)cc2)c1 ZINC001136282793 1008260734 /nfs/dbraw/zinc/26/07/34/1008260734.db2.gz YTFJELWLVDGSGL-UHFFFAOYSA-N -1 1 370.474 2.996 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1[C@H]1CCCOC1 ZINC000860361148 1008964665 /nfs/dbraw/zinc/96/46/65/1008964665.db2.gz BLRVMZCZWOQZEU-HNNXBMFYSA-N -1 1 373.405 2.907 20 10 FFCDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc2cccnc2c1O ZINC000862027149 1009669703 /nfs/dbraw/zinc/66/97/03/1009669703.db2.gz KNUZHMKGNYNXHN-UHFFFAOYSA-N -1 1 352.394 2.798 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839793668 1026829665 /nfs/dbraw/zinc/82/96/65/1026829665.db2.gz RQWOBFMBTDGTLU-GHMZBOCLSA-N -1 1 368.405 2.660 20 10 FFCDMM COc1cc(CNC(=O)c2c(F)ccc(O)c2[O-])ccc1OC(F)F ZINC001160377794 1027687169 /nfs/dbraw/zinc/68/71/69/1027687169.db2.gz AWWIIJIHONFCAN-UHFFFAOYSA-N -1 1 357.284 2.777 20 10 FFCDMM Cc1c(C)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)nc2ccccc12 ZINC001155216276 1028628619 /nfs/dbraw/zinc/62/86/19/1028628619.db2.gz JRWVWEWYUGJPAG-UHFFFAOYSA-N -1 1 350.374 2.876 20 10 FFCDMM Cn1ccc2cc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)ccc21 ZINC001155227803 1028635491 /nfs/dbraw/zinc/63/54/91/1028635491.db2.gz FNWCNTRIDZIOHH-UHFFFAOYSA-N -1 1 350.330 2.948 20 10 FFCDMM O=C(Nc1ccccc1-c1cc[nH]n1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155230864 1028637071 /nfs/dbraw/zinc/63/70/71/1028637071.db2.gz DOTXVIGMRREJOG-UHFFFAOYSA-N -1 1 363.329 2.847 20 10 FFCDMM Cc1nc2cc(F)ccc2cc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001155903470 1028967946 /nfs/dbraw/zinc/96/79/46/1028967946.db2.gz BFTZZOPHEBFZDE-UHFFFAOYSA-N -1 1 354.337 2.706 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1ccccc1C ZINC000782726210 1029799075 /nfs/dbraw/zinc/79/90/75/1029799075.db2.gz OANCNBAPXNWZGK-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM O=C(COC(=O)[C@@H]1CCCCN1Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000783809520 1030284583 /nfs/dbraw/zinc/28/45/83/1030284583.db2.gz NMELTXQGYPCXTL-KRWDZBQOSA-N -1 1 369.417 2.878 20 10 FFCDMM Cn1cc(-c2cccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2)cn1 ZINC000783857479 1030307625 /nfs/dbraw/zinc/30/76/25/1030307625.db2.gz DBHJMGVLIAQSIY-UHFFFAOYSA-N -1 1 352.346 2.538 20 10 FFCDMM C[C@@H](CC(=O)c1cccc(F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783888209 1030322961 /nfs/dbraw/zinc/32/29/61/1030322961.db2.gz JHHKFOQUUNTIHL-NSHDSACASA-N -1 1 360.337 2.872 20 10 FFCDMM Cn1cc2c(n1)CN(Cc1c([O-])ccc(F)c1F)C[C@@H]2COCC1CC1 ZINC001233333277 1036537600 /nfs/dbraw/zinc/53/76/00/1036537600.db2.gz QIKUMPGMSYYDFA-CYBMUJFWSA-N -1 1 363.408 2.930 20 10 FFCDMM O=C(c1cccc(F)c1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334549 1036541794 /nfs/dbraw/zinc/54/17/94/1036541794.db2.gz LJQQORVWHSOZQB-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1c([O-])ccc(F)c1F ZINC001233336399 1036543908 /nfs/dbraw/zinc/54/39/08/1036543908.db2.gz KJFJSEJUBJWXRL-MSOLQXFVSA-N -1 1 363.360 2.786 20 10 FFCDMM C[C@H]1C[C@@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001229197091 1036547475 /nfs/dbraw/zinc/54/74/75/1036547475.db2.gz MSVZSJFCEHTTJA-QWRGUYRKSA-N -1 1 354.358 2.820 20 10 FFCDMM C[C@H]1COCC[C@@H]1Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229199027 1036548992 /nfs/dbraw/zinc/54/89/92/1036548992.db2.gz RANOQJJYTVDQCE-HZMBPMFUSA-N -1 1 354.358 2.677 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@H]1CN(Cc2ccccc2)CCO1 ZINC001234474910 1037054152 /nfs/dbraw/zinc/05/41/52/1037054152.db2.gz ZKYYAWHMMWYJHX-MRXNPFEDSA-N -1 1 357.406 2.580 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001234474585 1037054562 /nfs/dbraw/zinc/05/45/62/1037054562.db2.gz UJORCOOQOQUIJX-QVKFZJNVSA-N -1 1 371.433 2.969 20 10 FFCDMM NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566090 1037690168 /nfs/dbraw/zinc/69/01/68/1037690168.db2.gz PUQNCBDAYHCITC-PKOBYXMFSA-N -1 1 368.433 2.714 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(N3CCOC(C)(C)C3)C2)c1 ZINC001236670512 1038182566 /nfs/dbraw/zinc/18/25/66/1038182566.db2.gz ZZRVKMWJAXQWRW-UHFFFAOYSA-N -1 1 369.303 2.758 20 10 FFCDMM COc1ccc(CN2CCC[C@H](NC(=O)NC(C)C)C2)c([O-])c1Cl ZINC001236808753 1038282408 /nfs/dbraw/zinc/28/24/08/1038282408.db2.gz IZSIFSRAYFQBFX-ZDUSSCGKSA-N -1 1 355.866 2.726 20 10 FFCDMM COC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)Cc2nnn(C)c21 ZINC001237079876 1038438289 /nfs/dbraw/zinc/43/82/89/1038438289.db2.gz OLEZDSIYGONHSV-VIFPVBQESA-N -1 1 357.241 2.573 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122122 1038448782 /nfs/dbraw/zinc/44/87/82/1038448782.db2.gz SEQVYDWSXPKLTO-WDEREUQCSA-N -1 1 374.840 2.645 20 10 FFCDMM C[NH+]1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)c2)CC1 ZINC001259090453 1039703182 /nfs/dbraw/zinc/70/31/82/1039703182.db2.gz URFMCZACRWRMAH-UHFFFAOYSA-N -1 1 367.421 2.517 20 10 FFCDMM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(N3CCN(C)CC3)c2)c1 ZINC001259637187 1040125506 /nfs/dbraw/zinc/12/55/06/1040125506.db2.gz GRTCHGQWHXRGLI-UHFFFAOYSA-N -1 1 363.458 2.687 20 10 FFCDMM O=S(=O)([N-]c1cccc(F)c1Br)c1cccc2nonc21 ZINC001260440958 1040592650 /nfs/dbraw/zinc/59/26/50/1040592650.db2.gz CDFMHUJYVSRJJS-UHFFFAOYSA-N -1 1 372.175 2.925 20 10 FFCDMM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3c([O-])ccc(F)c3F)C2)C1 ZINC001279489147 1043174475 /nfs/dbraw/zinc/17/44/75/1043174475.db2.gz LEDJZQCIUFZKNM-CQSZACIVSA-N -1 1 360.404 2.837 20 10 FFCDMM CCOC(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001309941543 1043599863 /nfs/dbraw/zinc/59/98/63/1043599863.db2.gz UABKDBLXAKOKLP-UHFFFAOYSA-N -1 1 369.826 2.701 20 10 FFCDMM CC(C)[C@H](C(=O)NCc1cccc(Cl)c1[O-])N1C[C@@H](C)O[C@@H](C)C1 ZINC001305069312 1051794600 /nfs/dbraw/zinc/79/46/00/1051794600.db2.gz CXDUDUZKISCHMK-DVOMOZLQSA-N -1 1 354.878 2.796 20 10 FFCDMM Cc1cnn(-c2c(C(=O)NCc3cccc(Cl)c3[O-])c(C)nn2C)c1 ZINC001305084468 1051801467 /nfs/dbraw/zinc/80/14/67/1051801467.db2.gz JQGOBDKFRMKVFL-UHFFFAOYSA-N -1 1 359.817 2.512 20 10 FFCDMM COc1ccc(OC)c2c1CN(Cc1cc(F)c(F)cc1[O-])C[C@H]2O ZINC001308664714 1052483554 /nfs/dbraw/zinc/48/35/54/1052483554.db2.gz SLHJTCZTCNUSJQ-OAHLLOKOSA-N -1 1 351.349 2.737 20 10 FFCDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2cc(Cl)ccc2O)c(F)c1 ZINC001475467467 1061103493 /nfs/dbraw/zinc/10/34/93/1061103493.db2.gz LFGVCLDUALZSSM-UHFFFAOYSA-N -1 1 363.769 2.811 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2c(cc1Cl)NC(=O)CO2 ZINC001472317113 1065013514 /nfs/dbraw/zinc/01/35/14/1065013514.db2.gz WGSNTQGEUWNXLX-UHFFFAOYSA-N -1 1 367.188 2.960 20 10 FFCDMM CO[C@@]1(CO)CCCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001560923804 1076310148 /nfs/dbraw/zinc/31/01/48/1076310148.db2.gz NEDSWTLLNLQPST-AWEZNQCLSA-N -1 1 364.667 2.781 20 10 FFCDMM O=S(=O)([N-]Cc1cc(Cl)ccc1O)c1ccc(Br)o1 ZINC001561725458 1076413793 /nfs/dbraw/zinc/41/37/93/1076413793.db2.gz YJLSEHRGRXHWBW-UHFFFAOYSA-N -1 1 366.620 2.880 20 10 FFCDMM Cn1cc(CCNC(=O)NCc2cccc(Cl)c2[O-])c2cccnc21 ZINC001565235402 1076701140 /nfs/dbraw/zinc/70/11/40/1076701140.db2.gz PTODNNZPUKHOBP-UHFFFAOYSA-N -1 1 358.829 2.974 20 10 FFCDMM CC(=O)NC1(C(=O)NCc2cccc(Br)c2[O-])CCCCC1 ZINC000277601135 510967630 /nfs/dbraw/zinc/96/76/30/510967630.db2.gz UDYMFIWNQHWIQB-UHFFFAOYSA-N -1 1 369.259 2.610 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2cccc(C(=O)N(C)C)c2)c(C)c(C)c1O ZINC000187061519 510033635 /nfs/dbraw/zinc/03/36/35/510033635.db2.gz XHOPTXSZYZRBPG-UHFFFAOYSA-N -1 1 362.451 2.820 20 10 FFCDMM COc1c([O-])c(CN2CCn3c(C(C)C)nnc3[C@H]2C)ccc1[N+](=O)[O-] ZINC000364617170 510973735 /nfs/dbraw/zinc/97/37/35/510973735.db2.gz YMNSMOAWVADBCR-LLVKDONJSA-N -1 1 361.402 2.601 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@@H]1CCO ZINC000277850433 510974830 /nfs/dbraw/zinc/97/48/30/510974830.db2.gz ZKLFGBUVUZPYDP-ZWNOBZJWSA-N -1 1 357.248 2.505 20 10 FFCDMM COC(=O)[C@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278310014 510988120 /nfs/dbraw/zinc/98/81/20/510988120.db2.gz WRFCVVPIIVCVHB-HNNXBMFYSA-N -1 1 360.366 2.655 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC(CS(C)(=O)=O)CC2)c1[O-] ZINC000292042229 511442336 /nfs/dbraw/zinc/44/23/36/511442336.db2.gz AOFDZNQEWPYWNO-UHFFFAOYSA-N -1 1 359.875 2.505 20 10 FFCDMM COc1ccc(C(=O)N2CCN(Cc3cccc(F)c3[O-])CC2)cc1OC ZINC000272233255 511473420 /nfs/dbraw/zinc/47/34/20/511473420.db2.gz FECBYSFPCZPZAQ-UHFFFAOYSA-N -1 1 374.412 2.507 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000375823209 512525339 /nfs/dbraw/zinc/52/53/39/512525339.db2.gz JGWDUACDZNTOTH-AEFFLSMTSA-N -1 1 361.417 2.556 20 10 FFCDMM CN1CCCc2cc(CNc3ccc(Cl)c(-c4nnn[n-]4)n3)ccc21 ZINC000736856577 598578627 /nfs/dbraw/zinc/57/86/27/598578627.db2.gz KTLSKVITOYNKRX-UHFFFAOYSA-N -1 1 355.833 2.910 20 10 FFCDMM CN1CCCc2cc(CNc3ccc(Cl)c(-c4nn[n-]n4)n3)ccc21 ZINC000736856577 598578628 /nfs/dbraw/zinc/57/86/28/598578628.db2.gz KTLSKVITOYNKRX-UHFFFAOYSA-N -1 1 355.833 2.910 20 10 FFCDMM CN(C)c1ccc(CNC(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000188135388 729384782 /nfs/dbraw/zinc/38/47/82/729384782.db2.gz UNHVOMHWNAWJNO-UHFFFAOYSA-N -1 1 358.467 2.534 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CO[C@H](C2CC2)C1 ZINC000858910539 730436405 /nfs/dbraw/zinc/43/64/05/730436405.db2.gz VQKBMJOVWJSOAD-YPMHNXCESA-N -1 1 355.232 2.521 20 10 FFCDMM CO[C@H](C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-])C1CC1 ZINC000864516466 730855496 /nfs/dbraw/zinc/85/54/96/730855496.db2.gz NNYCLKMHRJPBOO-GXTWGEPZSA-N -1 1 358.232 2.513 20 10 FFCDMM CCO[C@@H](C(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000867830563 731231457 /nfs/dbraw/zinc/23/14/57/731231457.db2.gz BXZJZHSBFROLIK-OAHLLOKOSA-N -1 1 372.259 2.603 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000873145097 731880966 /nfs/dbraw/zinc/88/09/66/731880966.db2.gz ILHYJBPNYXMKOR-SCDSUCTJSA-N -1 1 369.259 2.912 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCN(C(=O)c2ccoc2)CC1 ZINC000890758447 734336682 /nfs/dbraw/zinc/33/66/82/734336682.db2.gz YNWPEWXAAFJYAX-UHFFFAOYSA-N -1 1 362.813 2.807 20 10 FFCDMM COc1ccc(CN2CC[C@H]2C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890761024 734336816 /nfs/dbraw/zinc/33/68/16/734336816.db2.gz IQTZKJZLYMJPNU-KRWDZBQOSA-N -1 1 360.841 2.945 20 10 FFCDMM CC(C)(C)OC(=O)C1(C(=O)NCc2cccc(Cl)c2[O-])CCOCC1 ZINC000890762494 734337312 /nfs/dbraw/zinc/33/73/12/734337312.db2.gz FDVJFRGEAQAVPW-UHFFFAOYSA-N -1 1 369.845 2.800 20 10 FFCDMM O=C(NCCCN1CCCCCC1=O)NCc1cccc(Cl)c1[O-] ZINC000891553761 734444842 /nfs/dbraw/zinc/44/48/42/734444842.db2.gz OMQPOROAVMOVQD-UHFFFAOYSA-N -1 1 353.850 2.638 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCNC(=O)[C@H]2CC(C)C)c1 ZINC000783728292 738829960 /nfs/dbraw/zinc/82/99/60/738829960.db2.gz KOHWRUKJSBHTMH-CQSZACIVSA-N -1 1 355.276 2.810 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](Nc2ncccn2)C1 ZINC000895073748 734960230 /nfs/dbraw/zinc/96/02/30/734960230.db2.gz JWFWHOHIXVGUDE-GFCCVEGCSA-N -1 1 367.222 2.770 20 10 FFCDMM Cc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(Br)n1 ZINC000784381831 738885158 /nfs/dbraw/zinc/88/51/58/738885158.db2.gz VGNDSTIRFHXFEF-UHFFFAOYSA-N -1 1 366.167 2.603 20 10 FFCDMM C[C@@H]1C[C@@]2(CC[C@@H](CNC(=O)NCc3cccc(Cl)c3[O-])O2)CO1 ZINC000896521940 735172577 /nfs/dbraw/zinc/17/25/77/735172577.db2.gz LFIYDIXWWUKBRF-ZUCKAHLUSA-N -1 1 354.834 2.571 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](c3ccnn3C)C2)c1 ZINC000897561630 735248313 /nfs/dbraw/zinc/24/83/13/735248313.db2.gz ABJKNMNFBSCKJM-HNNXBMFYSA-N -1 1 366.259 2.770 20 10 FFCDMM C[C@H](Oc1ccc(Cl)cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784971567 738930088 /nfs/dbraw/zinc/93/00/88/738930088.db2.gz SJBFWHFWZAPFBR-JTQLQIEISA-N -1 1 350.754 2.945 20 10 FFCDMM O=C(NCCc1cscn1)NCc1cccc(Br)c1[O-] ZINC000765533429 737130458 /nfs/dbraw/zinc/13/04/58/737130458.db2.gz GBWQVYSTTCVEPI-UHFFFAOYSA-N -1 1 356.245 2.653 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H](O)CCc1ccccc1 ZINC000765732870 737150407 /nfs/dbraw/zinc/15/04/07/737150407.db2.gz UEFVGSLCEBIMTA-HNNXBMFYSA-N -1 1 364.239 2.765 20 10 FFCDMM O=C(Cc1cccc([N+](=O)[O-])c1)NCc1cccc(Br)c1[O-] ZINC000765758478 737155020 /nfs/dbraw/zinc/15/50/20/737155020.db2.gz YHLOONKADQQTNQ-UHFFFAOYSA-N -1 1 365.183 2.922 20 10 FFCDMM CCOC(=O)C1(CC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000765764112 737155961 /nfs/dbraw/zinc/15/59/61/737155961.db2.gz JHOSWKJHFIHNRN-UHFFFAOYSA-N -1 1 370.243 2.894 20 10 FFCDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000766048029 737186375 /nfs/dbraw/zinc/18/63/75/737186375.db2.gz PGGDPSRIOTUGFI-UHFFFAOYSA-N -1 1 362.407 2.744 20 10 FFCDMM Cn1ccc2c1cccc2NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769755309 737562394 /nfs/dbraw/zinc/56/23/94/737562394.db2.gz XAEWQNULMCPAFC-UHFFFAOYSA-N -1 1 359.407 2.508 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2)C(=O)[N-]C1=S ZINC000920976588 737937334 /nfs/dbraw/zinc/93/73/34/737937334.db2.gz YCWRREOCYLOZKK-GHXNOFRVSA-N -1 1 371.384 2.901 20 10 FFCDMM CCCc1nc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000777220837 738273180 /nfs/dbraw/zinc/27/31/80/738273180.db2.gz VBLZWXRDYMFEAZ-UHFFFAOYSA-N -1 1 369.468 2.733 20 10 FFCDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792702704 739695784 /nfs/dbraw/zinc/69/57/84/739695784.db2.gz XMUDCCNWXOBIJI-UHFFFAOYSA-N -1 1 367.448 2.630 20 10 FFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)[C@H]1OCCc2sccc21 ZINC000796503970 740148403 /nfs/dbraw/zinc/14/84/03/740148403.db2.gz GSLHABYZWDMHEQ-BMLIUANNSA-N -1 1 362.403 2.835 20 10 FFCDMM CO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCC2 ZINC000838766281 746709106 /nfs/dbraw/zinc/70/91/06/746709106.db2.gz LOXKCNYYKCBMRU-QWHCGFSZSA-N -1 1 369.259 2.912 20 10 FFCDMM C[C@@H](NCc1ccccc1S(C)(=O)=O)c1cc([N+](=O)[O-])ccc1[O-] ZINC000840867676 747206690 /nfs/dbraw/zinc/20/66/90/747206690.db2.gz UHGRVIKEWJXJKM-LLVKDONJSA-N -1 1 350.396 2.555 20 10 FFCDMM COc1ccc(C(=O)CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783083070 970793348 /nfs/dbraw/zinc/79/33/48/970793348.db2.gz IIHFHLYRTSYKBR-UHFFFAOYSA-N -1 1 372.373 2.886 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000890760687 960323662 /nfs/dbraw/zinc/32/36/62/960323662.db2.gz WCDLANCYTWNLQE-OAHLLOKOSA-N -1 1 373.840 2.609 20 10 FFCDMM CCCCN1C[C@@]2(CC1=O)COCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001275956773 1013228039 /nfs/dbraw/zinc/22/80/39/1013228039.db2.gz MLKJKJAQBTWQEA-IBGZPJMESA-N -1 1 368.424 2.521 20 10 FFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000825822305 1014086832 /nfs/dbraw/zinc/08/68/32/1014086832.db2.gz ICFYLOVALWEVTB-QWRGUYRKSA-N -1 1 368.405 2.707 20 10 FFCDMM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001606433144 973880219 /nfs/dbraw/zinc/88/02/19/973880219.db2.gz GJCGOTSUDRVKGJ-AWEZNQCLSA-N -1 1 350.212 2.940 20 10 FFCDMM O=C(N[C@@H]1CCOC1)OC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877519120 1014609674 /nfs/dbraw/zinc/60/96/74/1014609674.db2.gz IDZIUKMQKJLOIS-KGLIPLIRSA-N -1 1 370.396 2.540 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000764445345 984490533 /nfs/dbraw/zinc/49/05/33/984490533.db2.gz VARJECVAZWHFCJ-NSHDSACASA-N -1 1 368.405 2.614 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4[nH]ccc4c3)no2)c1 ZINC000761578854 987325412 /nfs/dbraw/zinc/32/54/12/987325412.db2.gz VESVPVAZBXBCRV-UHFFFAOYSA-N -1 1 370.390 2.962 20 10 FFCDMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(O)cc1C ZINC000766319121 999861166 /nfs/dbraw/zinc/86/11/66/999861166.db2.gz TYMBTAGKDFYMJF-UHFFFAOYSA-N -1 1 372.402 2.836 20 10 FFCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc([O-])c(F)c1 ZINC000768166965 1000188396 /nfs/dbraw/zinc/18/83/96/1000188396.db2.gz NUJROYNBHVZRNP-UHFFFAOYSA-N -1 1 358.413 2.670 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000768197412 1000194741 /nfs/dbraw/zinc/19/47/41/1000194741.db2.gz IFRGQMGCAZHIEB-UHFFFAOYSA-N -1 1 362.376 2.562 20 10 FFCDMM O=C(NCCc1cccc2c1OC(F)(F)O2)c1c(F)ccc(O)c1[O-] ZINC001184014553 1002476201 /nfs/dbraw/zinc/47/62/01/1002476201.db2.gz KVEZTCCGOUORCJ-UHFFFAOYSA-N -1 1 355.268 2.531 20 10 FFCDMM CCOC(=O)c1nc(NCC(=O)c2ccc([O-])c(O)c2)nc2ccccc21 ZINC001170316153 1003105755 /nfs/dbraw/zinc/10/57/55/1003105755.db2.gz ATYZWDPCSYKSJC-UHFFFAOYSA-N -1 1 367.361 2.513 20 10 FFCDMM COc1ccc(-n2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2=O)cc1 ZINC001170321320 1003109857 /nfs/dbraw/zinc/10/98/57/1003109857.db2.gz ZTPMBOIKPXWZHM-UHFFFAOYSA-N -1 1 366.373 2.552 20 10 FFCDMM O=C(CNC(=O)c1cc(-c2cccc(Cl)c2)n[nH]1)c1ccc([O-])c(O)c1 ZINC001191377880 1003788136 /nfs/dbraw/zinc/78/81/36/1003788136.db2.gz JJCYJFDVKAUYHL-UHFFFAOYSA-N -1 1 371.780 2.754 20 10 FFCDMM CCOC(=O)c1c(C)nsc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193208856 1004403258 /nfs/dbraw/zinc/40/32/58/1004403258.db2.gz ATUYOBVQPBYPME-UHFFFAOYSA-N -1 1 356.787 2.945 20 10 FFCDMM CC(C)C(=O)N[C@H]1CC[C@H](NC(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193247085 1004417783 /nfs/dbraw/zinc/41/77/83/1004417783.db2.gz KMEDAXWUNBNHJA-XYPYZODXSA-N -1 1 354.834 2.564 20 10 FFCDMM COC(=O)C[C@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CCCCC1 ZINC001193246771 1004418451 /nfs/dbraw/zinc/41/84/51/1004418451.db2.gz AYSTWDZIMAPRSV-LBPRGKRZSA-N -1 1 355.818 2.993 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccccc1Br ZINC001201985360 1005290490 /nfs/dbraw/zinc/29/04/90/1005290490.db2.gz LUIQRCBLPLCYQE-UHFFFAOYSA-N -1 1 365.183 2.865 20 10 FFCDMM CC(C)(NC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O)C1CC1 ZINC001152607027 1032202686 /nfs/dbraw/zinc/20/26/86/1032202686.db2.gz MPFROUCCOUVDKI-UHFFFAOYSA-N -1 1 365.385 2.792 20 10 FFCDMM COc1c([O-])c(CN2CCc3nc(C(C)C)ncc3C2)ccc1[N+](=O)[O-] ZINC000857876689 1008233354 /nfs/dbraw/zinc/23/33/54/1008233354.db2.gz JRAJNVGXEHJMKF-UHFFFAOYSA-N -1 1 358.398 2.781 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1[C@@H]1CCCOC1 ZINC000860361149 1008964332 /nfs/dbraw/zinc/96/43/32/1008964332.db2.gz BLRVMZCZWOQZEU-OAHLLOKOSA-N -1 1 373.405 2.907 20 10 FFCDMM O=C(CCc1nc(-c2ccccn2)no1)NCc1cccc(Cl)c1[O-] ZINC001180409864 1009684849 /nfs/dbraw/zinc/68/48/49/1009684849.db2.gz HEIPRDJUNSMTDC-UHFFFAOYSA-N -1 1 358.785 2.740 20 10 FFCDMM Cc1cn(CCC(=O)NCC(=O)c2ccc([O-])c(O)c2)c2ccccc12 ZINC001181210301 1010027824 /nfs/dbraw/zinc/02/78/24/1010027824.db2.gz HBSYBAKZUDGVSK-UHFFFAOYSA-N -1 1 352.390 2.750 20 10 FFCDMM CC[C@@H](C)N1CC[C@@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274705915 1011603588 /nfs/dbraw/zinc/60/35/88/1011603588.db2.gz HTDQFTIOUFAZRJ-ZMZPIMSZSA-N -1 1 366.845 2.757 20 10 FFCDMM CCCCN1CC[C@@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274706653 1011603693 /nfs/dbraw/zinc/60/36/93/1011603693.db2.gz ROEOXCIUAWIKCB-SFHVURJKSA-N -1 1 366.845 2.616 20 10 FFCDMM COc1ccccc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217054666 1032597782 /nfs/dbraw/zinc/59/77/82/1032597782.db2.gz IJARHRBXALDKQE-UHFFFAOYSA-N -1 1 367.405 2.950 20 10 FFCDMM COc1ccc(N2CCN(C(=O)c3ccc([O-])c(F)c3)CC2)c(OC)c1 ZINC000870167823 1012233222 /nfs/dbraw/zinc/23/32/22/1012233222.db2.gz QNKBRKAHOYWLOY-UHFFFAOYSA-N -1 1 360.385 2.511 20 10 FFCDMM Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc(C)n1 ZINC000755529702 1023606854 /nfs/dbraw/zinc/60/68/54/1023606854.db2.gz IXUKQPPTWOUXCR-INIZCTEOSA-N -1 1 374.872 2.847 20 10 FFCDMM CCN(CC)c1ccnc([C@H]2COCCN2Cc2c([O-])cccc2F)n1 ZINC001137836087 1033175995 /nfs/dbraw/zinc/17/59/95/1033175995.db2.gz VFWFHARNWHJYGW-MRXNPFEDSA-N -1 1 360.433 2.741 20 10 FFCDMM COc1ccc(-c2cc(NCC(=O)c3ccc([O-])c(O)c3)ncn2)cc1 ZINC001159280444 1027335219 /nfs/dbraw/zinc/33/52/19/1027335219.db2.gz RBMTVFNJGFYGJJ-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM O=C(COC(=O)c1ccc(-n2cccc2)cc1O)c1ccc([O-])c(O)c1 ZINC000783438195 1030095960 /nfs/dbraw/zinc/09/59/60/1030095960.db2.gz AQUGEHIPZKKXCT-UHFFFAOYSA-N -1 1 353.330 2.634 20 10 FFCDMM COc1ccc(C(C)(C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000784120374 1030475051 /nfs/dbraw/zinc/47/50/51/1030475051.db2.gz DLOATXSHVLUPPM-UHFFFAOYSA-N -1 1 374.389 2.819 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2cccc3c2OCCO3)CC1 ZINC001142524706 1030575718 /nfs/dbraw/zinc/57/57/18/1030575718.db2.gz HONJFKMDWOWHQK-UHFFFAOYSA-N -1 1 362.376 2.764 20 10 FFCDMM COc1cc(C)nc(OC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)n1 ZINC001139689741 1035198723 /nfs/dbraw/zinc/19/87/23/1035198723.db2.gz LFDKBEZFMYQISL-UHFFFAOYSA-N -1 1 365.380 2.821 20 10 FFCDMM O=c1c2ccccc2nnn1C1CCN(Cc2c([O-])cc(F)cc2F)CC1 ZINC001140584445 1035668304 /nfs/dbraw/zinc/66/83/04/1035668304.db2.gz RLNBZORGRHJGBT-UHFFFAOYSA-N -1 1 372.375 2.612 20 10 FFCDMM Cc1ccc(C(=O)NCCNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001227896208 1035792800 /nfs/dbraw/zinc/79/28/00/1035792800.db2.gz XQAPYUHDTXFNBA-UHFFFAOYSA-N -1 1 361.829 2.583 20 10 FFCDMM Cn1cnnc1C1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233030535 1036269443 /nfs/dbraw/zinc/26/94/43/1036269443.db2.gz XAVQLIFYMAABQM-UHFFFAOYSA-N -1 1 369.238 2.802 20 10 FFCDMM COC(=O)c1ccc(N2CCN(Cc3ccc(F)c(F)c3[O-])CC2)cc1 ZINC001233078270 1036326442 /nfs/dbraw/zinc/32/64/42/1036326442.db2.gz ODNOMLQLVBFXOZ-UHFFFAOYSA-N -1 1 362.376 2.779 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1OC1CCN(c2cc(Cl)ncn2)CC1 ZINC001234473406 1037050548 /nfs/dbraw/zinc/05/05/48/1037050548.db2.gz GICHKJWPYQMOHX-UHFFFAOYSA-N -1 1 363.801 2.792 20 10 FFCDMM CCC(=O)NC1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235302664 1037461448 /nfs/dbraw/zinc/46/14/48/1037461448.db2.gz SFSLTFFWYWMTRT-UHFFFAOYSA-N -1 1 359.239 2.784 20 10 FFCDMM CC(=O)c1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3O)CC2)cc1 ZINC001231452342 1037592470 /nfs/dbraw/zinc/59/24/70/1037592470.db2.gz MFMFZTBJBPSCNB-UHFFFAOYSA-N -1 1 354.406 2.615 20 10 FFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001236792073 1038272995 /nfs/dbraw/zinc/27/29/95/1038272995.db2.gz BEEFJOKRVWIQTM-UFBFGSQYSA-N -1 1 360.159 2.559 20 10 FFCDMM COc1cc(O)c(C[N@H+]2CCC[C@H](NC(=O)NC(C)C)C2)c(Cl)c1 ZINC001236805444 1038279490 /nfs/dbraw/zinc/27/94/90/1038279490.db2.gz GSRWSRGEZCCIQA-LBPRGKRZSA-N -1 1 355.866 2.726 20 10 FFCDMM CC(C)=CCN1C(=O)COCC12CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001278023033 1038330665 /nfs/dbraw/zinc/33/06/65/1038330665.db2.gz HXQRQQPIXNASSV-UHFFFAOYSA-N -1 1 368.836 2.564 20 10 FFCDMM CC(C)OCc1nnc2n1CCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237120381 1038449043 /nfs/dbraw/zinc/44/90/43/1038449043.db2.gz DIXVTMUQDISYEQ-UHFFFAOYSA-N -1 1 354.813 2.717 20 10 FFCDMM CCOC(=O)c1cc2n(n1)CCCN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001237124469 1038450625 /nfs/dbraw/zinc/45/06/25/1038450625.db2.gz PSHNGQDITVRMOV-UHFFFAOYSA-N -1 1 367.808 2.964 20 10 FFCDMM O=[N+]([O-])c1cc(-c2nc3cc(N4CCOCC4)c(F)cc3[nH]2)cc(O)c1[O-] ZINC001251027119 1038901947 /nfs/dbraw/zinc/90/19/47/1038901947.db2.gz IZHJVETZDJAPPT-UHFFFAOYSA-N -1 1 374.328 2.525 20 10 FFCDMM COc1ncc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c(C)n1 ZINC001251394857 1039109091 /nfs/dbraw/zinc/10/90/91/1039109091.db2.gz XPAIMOFCOPRIBR-UHFFFAOYSA-N -1 1 364.210 2.607 20 10 FFCDMM COc1cccc(S(=O)(=O)[N-]c2ccc(O)c(Br)c2)c1 ZINC001259188669 1039782223 /nfs/dbraw/zinc/78/22/23/1039782223.db2.gz CORMRYRIJSBBLK-UHFFFAOYSA-N -1 1 358.213 2.964 20 10 FFCDMM COc1ccc(CN(C)CC(F)F)c([O-])c1I ZINC001248501699 1040305125 /nfs/dbraw/zinc/30/51/25/1040305125.db2.gz RITMIIUQUFQEBY-UHFFFAOYSA-N -1 1 357.138 2.702 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2c(Cn3cccn3)cnc2C1 ZINC001237936384 1043444028 /nfs/dbraw/zinc/44/40/28/1043444028.db2.gz CJRYQJMMLUVXDV-UHFFFAOYSA-N -1 1 361.808 2.642 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2nc(C(F)(F)F)nc2C1 ZINC001237946373 1043451059 /nfs/dbraw/zinc/45/10/59/1043451059.db2.gz KTPWGGPDXFJVTD-UHFFFAOYSA-N -1 1 350.703 2.811 20 10 FFCDMM CC(C)NC(=O)N1CCC2(CN(Cc3c([O-])ccc(F)c3Cl)C2)C1 ZINC001279684307 1043463865 /nfs/dbraw/zinc/46/38/65/1043463865.db2.gz QFLMYNLWDHIOBP-UHFFFAOYSA-N -1 1 355.841 2.810 20 10 FFCDMM O=C(NC1CCC(F)CC1)[C@@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001279740207 1043563967 /nfs/dbraw/zinc/56/39/67/1043563967.db2.gz PIHOARPCFATCFC-YIZWMMSDSA-N -1 1 368.399 2.889 20 10 FFCDMM CC[C@H]1c2ccccc2CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737795681 1048656967 /nfs/dbraw/zinc/65/69/67/1048656967.db2.gz JQICVODVAJVRMV-INIZCTEOSA-N -1 1 352.394 2.643 20 10 FFCDMM O=C(Cc1cc(F)cc2c1OCOC2)NCc1cccc(Cl)c1[O-] ZINC001305069960 1051795217 /nfs/dbraw/zinc/79/52/17/1051795217.db2.gz WDZYAXPFJZIEJX-UHFFFAOYSA-N -1 1 351.761 2.910 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC001337385186 1054709387 /nfs/dbraw/zinc/70/93/87/1054709387.db2.gz FSOJGELGONOEQA-CQSZACIVSA-N -1 1 374.824 2.804 20 10 FFCDMM COC(=O)[C@@H]1C[C@H](C(F)(F)F)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001352876238 1055887765 /nfs/dbraw/zinc/88/77/65/1055887765.db2.gz JMODCJLKJSCFKS-ZJUUUORDSA-N -1 1 353.287 2.844 20 10 FFCDMM Cn1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(C2CCCC2)n1 ZINC001475774747 1061267697 /nfs/dbraw/zinc/26/76/97/1061267697.db2.gz PGSALRIYANNIAR-UHFFFAOYSA-N -1 1 369.874 2.915 20 10 FFCDMM O=C(NCC[S@@](=O)Cc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001468985227 1064071819 /nfs/dbraw/zinc/07/18/19/1064071819.db2.gz LOEKGOJYKCZBFS-XMMPIXPASA-N -1 1 366.870 2.794 20 10 FFCDMM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1cccc(Cl)c1[O-] ZINC001472317139 1065012213 /nfs/dbraw/zinc/01/22/13/1065012213.db2.gz XBPMAWPLIFVLDR-SREVYHEPSA-N -1 1 370.796 2.733 20 10 FFCDMM C[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2[O-])C[C@@H]1[N-]C(=O)C(F)(F)F ZINC001474648162 1065569627 /nfs/dbraw/zinc/56/96/27/1065569627.db2.gz XBQWAULMVZQPPJ-KCJUWKMLSA-N -1 1 352.303 2.559 20 10 FFCDMM COc1c([O-])c(CN(C)Cc2nccn2CC(F)(F)F)ccc1[N+](=O)[O-] ZINC000278227313 510985403 /nfs/dbraw/zinc/98/54/03/510985403.db2.gz MEKZRFPRJDBUFP-UHFFFAOYSA-N -1 1 374.319 2.700 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@@H](c3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278323754 510989368 /nfs/dbraw/zinc/98/93/68/510989368.db2.gz YOOJGGAPUQIUCE-CYBMUJFWSA-N -1 1 350.396 2.944 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886426 511011705 /nfs/dbraw/zinc/01/17/05/511011705.db2.gz OZNOXZKRQUNOCZ-UKRRQHHQSA-N -1 1 362.382 2.990 20 10 FFCDMM COc1cc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)cc1OC ZINC000592986609 520672081 /nfs/dbraw/zinc/67/20/81/520672081.db2.gz IELBCGUZMDMMPT-UHFFFAOYSA-N -1 1 369.399 2.648 20 10 FFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1[O-] ZINC000825946662 601418860 /nfs/dbraw/zinc/41/88/60/601418860.db2.gz JZUGYRAXVIMPCB-AWEZNQCLSA-N -1 1 355.818 2.704 20 10 FFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C[C@@H]2CCCO2)c1[O-] ZINC000825946662 601418862 /nfs/dbraw/zinc/41/88/62/601418862.db2.gz JZUGYRAXVIMPCB-AWEZNQCLSA-N -1 1 355.818 2.704 20 10 FFCDMM O=C([O-])N[C@@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738655709 602268065 /nfs/dbraw/zinc/26/80/65/602268065.db2.gz OHMBXGCDTCFNIV-CQSZACIVSA-N -1 1 370.405 2.561 20 10 FFCDMM Cn1nc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1C(F)(F)F ZINC000898538864 735378746 /nfs/dbraw/zinc/37/87/46/735378746.db2.gz ZTSQQGXCQJPVJG-UHFFFAOYSA-N -1 1 362.739 2.797 20 10 FFCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccc1O ZINC000013464095 727816542 /nfs/dbraw/zinc/81/65/42/727816542.db2.gz VVAYUSTWSYFKOU-UHFFFAOYSA-N -1 1 361.297 2.910 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3ccc(Cl)cc32)c1 ZINC000116168068 728569963 /nfs/dbraw/zinc/56/99/63/728569963.db2.gz WKTXGVKACUXACL-UHFFFAOYSA-N -1 1 366.826 2.620 20 10 FFCDMM CN(CC(C)(C)NC(=O)OC(C)(C)C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000857301124 730389966 /nfs/dbraw/zinc/38/99/66/730389966.db2.gz NQDAQJYCKAXWIG-UHFFFAOYSA-N -1 1 356.394 2.612 20 10 FFCDMM COC1(C[C@@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])CCC1 ZINC000864517489 730855794 /nfs/dbraw/zinc/85/57/94/730855794.db2.gz WOGYUBKQWOPIDK-GFCCVEGCSA-N -1 1 358.232 2.657 20 10 FFCDMM O=C(/C=C\COC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000867830763 731231700 /nfs/dbraw/zinc/23/17/00/731231700.db2.gz IIVRKJKQBHDDPF-DJWKRKHSSA-N -1 1 370.243 2.523 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2C[C@@H](CO)[C@H](C(F)(F)F)C2)c1[O-] ZINC000877693859 732415145 /nfs/dbraw/zinc/41/51/45/732415145.db2.gz SOPUGRHFMRTLRT-WCBMZHEXSA-N -1 1 354.712 2.556 20 10 FFCDMM CCOC(=O)[C@H]1CSCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781894032 738668829 /nfs/dbraw/zinc/66/88/29/738668829.db2.gz DKAPTHCFWSVRJW-CYBMUJFWSA-N -1 1 374.300 2.944 20 10 FFCDMM O=S1(=O)CCCN1Cc1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883164690 733345077 /nfs/dbraw/zinc/34/50/77/733345077.db2.gz MDBNWPPMCCQDBS-UHFFFAOYSA-N -1 1 368.405 2.818 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000890757727 734336359 /nfs/dbraw/zinc/33/63/59/734336359.db2.gz JMQPFMQZRNNWPE-CQSZACIVSA-N -1 1 365.861 2.590 20 10 FFCDMM O=C(NC1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1)C1CC1 ZINC000890759841 734336862 /nfs/dbraw/zinc/33/68/62/734336862.db2.gz RZCXYCPBSLKOST-UHFFFAOYSA-N -1 1 350.846 2.747 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCN(C(=O)c2ccccc2)C1 ZINC000890762835 734337114 /nfs/dbraw/zinc/33/71/14/734337114.db2.gz KGSMIOZKXWOMDU-OAHLLOKOSA-N -1 1 358.825 2.824 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](Nc2ncccn2)C1 ZINC000895073750 734960335 /nfs/dbraw/zinc/96/03/35/734960335.db2.gz JWFWHOHIXVGUDE-LBPRGKRZSA-N -1 1 367.222 2.770 20 10 FFCDMM O=C(NCc1nc2c(s1)COCC2)NCc1cccc(Cl)c1[O-] ZINC000896748103 735182260 /nfs/dbraw/zinc/18/22/60/735182260.db2.gz RVIPKCPMNQGMRF-UHFFFAOYSA-N -1 1 353.831 2.574 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](c3ccnn3C)C2)c1 ZINC000897561631 735248423 /nfs/dbraw/zinc/24/84/23/735248423.db2.gz ABJKNMNFBSCKJM-OAHLLOKOSA-N -1 1 366.259 2.770 20 10 FFCDMM CCOC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCCOC1 ZINC000754259132 736141146 /nfs/dbraw/zinc/14/11/46/736141146.db2.gz GSKIYSBKKQNYKZ-WBMJQRKESA-N -1 1 369.845 2.696 20 10 FFCDMM C[C@@H]1CC(NC(=O)NCc2cccc(Br)c2[O-])C[C@@H](C)O1 ZINC000764800698 737051061 /nfs/dbraw/zinc/05/10/61/737051061.db2.gz QTRMCURSSXVPRR-NXEZZACHSA-N -1 1 357.248 2.910 20 10 FFCDMM Cc1nn(C)c(Cl)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765732063 737150057 /nfs/dbraw/zinc/15/00/57/737150057.db2.gz OZRKYEAFRDFTEL-UHFFFAOYSA-N -1 1 358.623 2.780 20 10 FFCDMM COc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(O)c1 ZINC000765748066 737152952 /nfs/dbraw/zinc/15/29/52/737152952.db2.gz UYYMXMGYOQLICM-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM Cc1cc(C)n([C@H](C)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765747994 737153291 /nfs/dbraw/zinc/15/32/91/737153291.db2.gz STQDAVHMZTXICJ-LLVKDONJSA-N -1 1 352.232 2.845 20 10 FFCDMM COc1cccc([C@@H](O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765766829 737156314 /nfs/dbraw/zinc/15/63/14/737156314.db2.gz CJUSKRGSZVKIMY-OAHLLOKOSA-N -1 1 366.211 2.513 20 10 FFCDMM [O-]c1c(Br)cccc1CNC(=S)NCCc1ccccn1 ZINC000765993630 737181478 /nfs/dbraw/zinc/18/14/78/737181478.db2.gz YBIDXGOUHKOTKL-UHFFFAOYSA-N -1 1 366.284 2.757 20 10 FFCDMM [O-]c1c(Br)cccc1CNC(=S)NC[C@@H]1CCCCO1 ZINC000765992741 737181607 /nfs/dbraw/zinc/18/16/07/737181607.db2.gz NRPGTZPOABNEBL-NSHDSACASA-N -1 1 359.289 2.688 20 10 FFCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c2ncccc12 ZINC000766363687 737222897 /nfs/dbraw/zinc/22/28/97/737222897.db2.gz RVPVXAXVNDLGSQ-UHFFFAOYSA-N -1 1 363.326 2.789 20 10 FFCDMM CC(C)c1ccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)cc1 ZINC000769790643 737566925 /nfs/dbraw/zinc/56/69/25/737566925.db2.gz FBOVWYQBUVDRBZ-UHFFFAOYSA-N -1 1 357.443 2.506 20 10 FFCDMM CC(C)c1cccc(NC(=S)NNc2nc(=O)c3cnn(C)c3[n-]2)c1 ZINC000769793580 737567480 /nfs/dbraw/zinc/56/74/80/737567480.db2.gz LYKZZSFXGQCTGL-UHFFFAOYSA-N -1 1 357.443 2.506 20 10 FFCDMM Cn1nc(C2CCOCC2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000932024190 739375108 /nfs/dbraw/zinc/37/51/08/739375108.db2.gz GJDXBUMTGMXJTC-UHFFFAOYSA-N -1 1 364.833 2.995 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ccc(F)cc2Cl)CC1 ZINC000789995336 739403755 /nfs/dbraw/zinc/40/37/55/739403755.db2.gz MUGGDUGWYURWQD-UHFFFAOYSA-N -1 1 368.767 2.992 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(F)c(F)c(C(=O)[O-])c1 ZINC000790408957 739449354 /nfs/dbraw/zinc/44/93/54/739449354.db2.gz IKPVLYXEGBCBIV-UHFFFAOYSA-N -1 1 373.333 2.568 20 10 FFCDMM CC(C)([N-]C(=O)C(F)(F)F)C(=O)NCc1cc(Cl)cc(Cl)c1O ZINC000807840099 741163494 /nfs/dbraw/zinc/16/34/94/741163494.db2.gz YHGUGWPNHZRZCW-UHFFFAOYSA-N -1 1 373.158 2.772 20 10 FFCDMM CCS(=O)(=O)NC1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC000809736321 741338541 /nfs/dbraw/zinc/33/85/41/741338541.db2.gz PAJBOZUUDPPTQC-UHFFFAOYSA-N -1 1 367.298 2.603 20 10 FFCDMM COc1ccncc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000814419410 741824999 /nfs/dbraw/zinc/82/49/99/741824999.db2.gz ZNJXMDVTTXOASL-UHFFFAOYSA-N -1 1 366.215 2.558 20 10 FFCDMM C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000844146891 747978215 /nfs/dbraw/zinc/97/82/15/747978215.db2.gz LGEVHEITLCWYBC-GHMZBOCLSA-N -1 1 353.390 2.677 20 10 FFCDMM COC(=O)c1nc(CN[C@H](C)c2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000850516217 749379401 /nfs/dbraw/zinc/37/94/01/749379401.db2.gz SWDMSYARNGSJBL-SECBINFHSA-N -1 1 365.773 2.986 20 10 FFCDMM Cc1ncsc1CN1CCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107066 961688278 /nfs/dbraw/zinc/68/82/78/961688278.db2.gz MLOWPLDKVAXDQS-UHFFFAOYSA-N -1 1 351.422 2.896 20 10 FFCDMM CCOC(=O)c1cnc(C(C)=Cc2ccc(N3CCOCC3)cc2)[n-]c1=O ZINC000588610549 968126036 /nfs/dbraw/zinc/12/60/36/968126036.db2.gz NIVNYUPLEWOZMJ-OWBHPGMISA-N -1 1 369.421 2.756 20 10 FFCDMM C[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2O)C[C@@H](C(=O)[O-])O1 ZINC001599929424 985280495 /nfs/dbraw/zinc/28/04/95/985280495.db2.gz RWZXGWVWNXMUOO-LIRRHRJNSA-N -1 1 357.406 2.645 20 10 FFCDMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000913742102 986881966 /nfs/dbraw/zinc/88/19/66/986881966.db2.gz HFTLGQNMXSSOIL-UHFFFAOYSA-N -1 1 368.416 2.766 20 10 FFCDMM COc1ccc(N2CCN(CCOc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC001599586793 993624188 /nfs/dbraw/zinc/62/41/88/993624188.db2.gz WRHRSLCKXVIAAI-UHFFFAOYSA-N -1 1 356.422 2.594 20 10 FFCDMM CC(C)(C)OC(=O)N(CCCNC(=O)c1c(F)ccc(O)c1[O-])C1CC1 ZINC000825481181 997413731 /nfs/dbraw/zinc/41/37/31/997413731.db2.gz FPWXULUFBUXXFT-UHFFFAOYSA-N -1 1 368.405 2.756 20 10 FFCDMM O=C(COC(=O)[C@H](O)c1cccc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000803807876 1016185511 /nfs/dbraw/zinc/18/55/11/1016185511.db2.gz LXQPANJJFPCWII-OAHLLOKOSA-N -1 1 370.279 2.576 20 10 FFCDMM CCOc1cc2c(cc1CNC(=O)c1c(F)ccc(O)c1[O-])O[C@H](C)C2 ZINC000789944205 1002236316 /nfs/dbraw/zinc/23/63/16/1002236316.db2.gz NHYAZAZBJUGTSY-SNVBAGLBSA-N -1 1 361.369 2.889 20 10 FFCDMM CCc1ccccc1NC(=O)CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774823215 1002810980 /nfs/dbraw/zinc/81/09/80/1002810980.db2.gz QTPNOICVXYZYJO-UHFFFAOYSA-N -1 1 373.409 2.942 20 10 FFCDMM Cc1sc(Br)cc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001195964485 1003618592 /nfs/dbraw/zinc/61/85/92/1003618592.db2.gz ARLCGHLMJJJJFP-UHFFFAOYSA-N -1 1 370.224 2.843 20 10 FFCDMM CCOC(=O)c1ccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001191456726 1003850868 /nfs/dbraw/zinc/85/08/68/1003850868.db2.gz ZZQQVLBBLPFVQQ-UHFFFAOYSA-N -1 1 357.334 2.648 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC001193226094 1004428601 /nfs/dbraw/zinc/42/86/01/1004428601.db2.gz XNZMBLHQYOONPM-GFCCVEGCSA-N -1 1 366.845 2.616 20 10 FFCDMM COC(=O)c1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc2n[nH]cc21 ZINC001193229812 1004429450 /nfs/dbraw/zinc/42/94/50/1004429450.db2.gz NWLMMBBCHLOKQR-UHFFFAOYSA-N -1 1 361.741 2.666 20 10 FFCDMM Cc1c(C(=O)NCc2nn[n-]n2)cc(-c2ccccc2)n1-c1ccccc1 ZINC001193557446 1004521157 /nfs/dbraw/zinc/52/11/57/1004521157.db2.gz XRYKQHNSRAUBRZ-UHFFFAOYSA-N -1 1 358.405 2.896 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)c1ccc(C(F)(F)F)cn1 ZINC001194301598 1004697079 /nfs/dbraw/zinc/69/70/79/1004697079.db2.gz RSUCKEPOAOGKEJ-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ccc(C(F)(F)F)cn1 ZINC001194301956 1004698074 /nfs/dbraw/zinc/69/80/74/1004698074.db2.gz ORGKKBCTJUXANM-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM CC(=O)N(C)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001195881734 1005067764 /nfs/dbraw/zinc/06/77/64/1005067764.db2.gz GQNLKYFVIWGFRI-UHFFFAOYSA-N -1 1 368.842 2.507 20 10 FFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc2cccnc2c1O ZINC000862027002 1009669230 /nfs/dbraw/zinc/66/92/30/1009669230.db2.gz GRJPDDVRYQBREN-UHFFFAOYSA-N -1 1 366.421 2.972 20 10 FFCDMM C[C@@H]1[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCCN1C(=O)OC(C)(C)C ZINC000829032262 1032960065 /nfs/dbraw/zinc/96/00/65/1032960065.db2.gz MFJURINFGMRIHM-ZYHUDNBSSA-N -1 1 368.405 2.755 20 10 FFCDMM Cc1nc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2nc1C ZINC000755137058 1023568602 /nfs/dbraw/zinc/56/86/02/1023568602.db2.gz YTGRPDBMOULSMN-UHFFFAOYSA-N -1 1 352.346 2.698 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2c([O-])cccc2F)CCO1 ZINC001137832005 1033164622 /nfs/dbraw/zinc/16/46/22/1033164622.db2.gz WPWBRVJJYFZTTH-ZDUSSCGKSA-N -1 1 354.422 2.647 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1(C)C ZINC000839793815 1026830767 /nfs/dbraw/zinc/83/07/67/1026830767.db2.gz TZPWEVGIAOLZFB-UHFFFAOYSA-N -1 1 368.405 2.708 20 10 FFCDMM COC(=O)C[C@H](c1ccnc(NCC(=O)c2ccc([O-])c(O)c2)c1)C1CC1 ZINC001159279239 1027334731 /nfs/dbraw/zinc/33/47/31/1027334731.db2.gz NMADWOHTAHKGEL-HNNXBMFYSA-N -1 1 370.405 2.844 20 10 FFCDMM CN(C)c1ccc(-c2ccnc(NCC(=O)c3ccc([O-])c(O)c3)n2)cc1 ZINC001159279064 1027335381 /nfs/dbraw/zinc/33/53/81/1027335381.db2.gz JPSOUQOBMQTRPC-UHFFFAOYSA-N -1 1 364.405 2.916 20 10 FFCDMM COC(=O)c1cc2ccccc2c(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159280608 1027336297 /nfs/dbraw/zinc/33/62/97/1027336297.db2.gz ZYEZSIULFDYHGH-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM C[C@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1nc2ccccc2[nH]1 ZINC001155233068 1028638653 /nfs/dbraw/zinc/63/86/53/1028638653.db2.gz ZBVMCXDJILNITD-VIFPVBQESA-N -1 1 365.345 2.572 20 10 FFCDMM CCOc1cccc2cc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)oc21 ZINC001150531418 1031734542 /nfs/dbraw/zinc/73/45/42/1031734542.db2.gz OEGCXCWPBZPYEQ-UHFFFAOYSA-N -1 1 355.346 2.855 20 10 FFCDMM CCOCCN1C[C@@]2(CC1=O)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276945855 1033717063 /nfs/dbraw/zinc/71/70/63/1033717063.db2.gz UVLBPWACOJZCBF-IBGZPJMESA-N -1 1 368.424 2.664 20 10 FFCDMM CCCNC(=O)[C@@H]1CCCCN1Cc1c([O-])ccc2c(C)cc(=O)oc21 ZINC001139129208 1034958069 /nfs/dbraw/zinc/95/80/69/1034958069.db2.gz QNJRDBOJEFTPNY-INIZCTEOSA-N -1 1 358.438 2.688 20 10 FFCDMM Cc1noc([C@@H]2C[C@@H]3CCN(Cc4c(F)ccc(F)c4[O-])C[C@H]3O2)n1 ZINC001139680942 1035195921 /nfs/dbraw/zinc/19/59/21/1035195921.db2.gz GKVBGQDBMYLHRZ-NZVBXONLSA-N -1 1 351.353 2.714 20 10 FFCDMM [O-]c1c(F)ccc(F)c1CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001139681805 1035196666 /nfs/dbraw/zinc/19/66/66/1035196666.db2.gz YWYHICQMJZPQBG-LNLFQRSKSA-N -1 1 362.376 2.876 20 10 FFCDMM Oc1cccc(Cl)c1C[N@@H+]1CCCn2cnc(Cn3cccn3)c2C1 ZINC001140339237 1035443944 /nfs/dbraw/zinc/44/39/44/1035443944.db2.gz GHLQXOPSPBZQIQ-UHFFFAOYSA-N -1 1 357.845 2.893 20 10 FFCDMM CO[C@H](C)CO[C@@H](C)COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578800 1035616416 /nfs/dbraw/zinc/61/64/16/1035616416.db2.gz XVDMUOQTEYAQSY-OLZOCXBDSA-N -1 1 370.401 2.986 20 10 FFCDMM CC1(C)OC[C@H](COc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)O1 ZINC001228115321 1035941190 /nfs/dbraw/zinc/94/11/90/1035941190.db2.gz NRIBNANRGGJPQY-ZDUSSCGKSA-N -1 1 360.362 2.565 20 10 FFCDMM O=C1CCC2(CCN(Cc3c([O-])cc(Br)cc3F)CC2)O1 ZINC001233031381 1036270199 /nfs/dbraw/zinc/27/01/99/1036270199.db2.gz CNHLPCWBNDHHGW-UHFFFAOYSA-N -1 1 358.207 2.965 20 10 FFCDMM CCCO[C@@H]1CCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233307861 1036512585 /nfs/dbraw/zinc/51/25/85/1036512585.db2.gz SWMNPRFLTFERLN-CYBMUJFWSA-N -1 1 372.259 2.942 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001233332895 1036538201 /nfs/dbraw/zinc/53/82/01/1036538201.db2.gz BGZCXLODUVESJI-ZSZQSSIHSA-N -1 1 362.376 2.876 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1c([O-])ccc(F)c1F)[C@@H]2C ZINC001233336632 1036544819 /nfs/dbraw/zinc/54/48/19/1036544819.db2.gz TZRKRZDVKKSZLP-SNVBAGLBSA-N -1 1 351.353 2.620 20 10 FFCDMM C[C@H]1OCC[C@H]1COc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197466 1036546955 /nfs/dbraw/zinc/54/69/55/1036546955.db2.gz PHXXRNGCBGVYAW-MNOVXSKESA-N -1 1 354.358 2.677 20 10 FFCDMM O=C1CCC(Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CC1 ZINC001229197044 1036547543 /nfs/dbraw/zinc/54/75/43/1036547543.db2.gz MDPRCIHDDCMCNU-UHFFFAOYSA-N -1 1 352.342 2.764 20 10 FFCDMM O=C1CCCC[C@H]1Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229199158 1036548884 /nfs/dbraw/zinc/54/88/84/1036548884.db2.gz SYOXULYROJRGML-CQSZACIVSA-N -1 1 352.342 2.764 20 10 FFCDMM C[C@@H]1COCC[C@@H]1Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229199037 1036548956 /nfs/dbraw/zinc/54/89/56/1036548956.db2.gz RANOQJJYTVDQCE-YGRLFVJLSA-N -1 1 354.358 2.677 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@H]1C[C@H]2C=C[C@@H]1C2 ZINC001229786109 1036893591 /nfs/dbraw/zinc/89/35/91/1036893591.db2.gz MHIKHCCFISTNDU-IEVXNVSRSA-N -1 1 370.357 2.789 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001234474655 1037053747 /nfs/dbraw/zinc/05/37/47/1037053747.db2.gz VJCUOBOQJHXQSW-LLVKDONJSA-N -1 1 365.382 2.605 20 10 FFCDMM CC[C@@H](C)N1C[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277507556 1037538585 /nfs/dbraw/zinc/53/85/85/1037538585.db2.gz QMMBOBZKMAQRHZ-XIKOKIGWSA-N -1 1 370.852 2.787 20 10 FFCDMM [O-]c1cccc(F)c1CNCc1ncc(I)s1 ZINC001207623132 1037610292 /nfs/dbraw/zinc/61/02/92/1037610292.db2.gz RMIBDDRMXGXVJO-UHFFFAOYSA-N -1 1 364.183 2.882 20 10 FFCDMM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795183 1038275215 /nfs/dbraw/zinc/27/52/15/1038275215.db2.gz AJKKGNVJVBNNOD-WLLOZRIZSA-N -1 1 360.237 2.851 20 10 FFCDMM CCOC(=O)CN(CC(=O)OCC)Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236798099 1038277531 /nfs/dbraw/zinc/27/75/31/1038277531.db2.gz GNCHZKTXTCPZMZ-UHFFFAOYSA-N -1 1 364.225 2.627 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC001237122717 1038450755 /nfs/dbraw/zinc/45/07/55/1038450755.db2.gz XFKMGKATAFYYBX-UHFFFAOYSA-N -1 1 350.703 2.811 20 10 FFCDMM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])n1[nH]c(C2CC(F)(F)C2)cc1=O ZINC001245923853 1039147823 /nfs/dbraw/zinc/14/78/23/1039147823.db2.gz IMFINBHZBUXWGH-INIZCTEOSA-N -1 1 368.336 2.555 20 10 FFCDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1c(F)cc([O-])cc1F)C(=O)C2 ZINC001258974196 1039632411 /nfs/dbraw/zinc/63/24/11/1039632411.db2.gz UMRAHKASUTVXIB-FVMDXXJSSA-N -1 1 359.394 2.808 20 10 FFCDMM COc1ccc(OCCCS(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001259648814 1040133956 /nfs/dbraw/zinc/13/39/56/1040133956.db2.gz DHFWVJMUQXZSDP-UHFFFAOYSA-N -1 1 373.377 2.890 20 10 FFCDMM CCCc1nnc(-c2cc([O-])c3c(c2)C(=O)c2cccc(O)c2C3=O)o1 ZINC001253952031 1040467953 /nfs/dbraw/zinc/46/79/53/1040467953.db2.gz QXCDXKNVQYOXJQ-UHFFFAOYSA-N -1 1 350.330 2.876 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CC(=O)c2ccccc2O1 ZINC001254309221 1040669675 /nfs/dbraw/zinc/66/96/75/1040669675.db2.gz RAPRAHSPMSAJHU-GFCCVEGCSA-N -1 1 360.797 2.879 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)ccc1O ZINC001254941590 1041055659 /nfs/dbraw/zinc/05/56/59/1041055659.db2.gz OLABCQOJMSWYRP-UHFFFAOYSA-N -1 1 359.762 2.772 20 10 FFCDMM COCC1CC[NH+](Cc2cccc(I)c2O)CC1 ZINC001237787504 1043358343 /nfs/dbraw/zinc/35/83/43/1043358343.db2.gz SXUIWRDOKZVQOO-UHFFFAOYSA-N -1 1 361.223 2.855 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])[C@H](CO)C1 ZINC001237934971 1043441571 /nfs/dbraw/zinc/44/15/71/1043441571.db2.gz ODSHYPWLOGNDLO-LBPRGKRZSA-N -1 1 374.840 2.598 20 10 FFCDMM CCOC(=O)c1nc2c(o1)CCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237950609 1043452606 /nfs/dbraw/zinc/45/26/06/1043452606.db2.gz XNNLASGRLMQOGQ-UHFFFAOYSA-N -1 1 354.765 2.908 20 10 FFCDMM O=C(NC[C@@H](NCc1ccccc1)C(F)(F)F)c1c([O-])c(O)ccc1F ZINC001457814110 1060450823 /nfs/dbraw/zinc/45/08/23/1060450823.db2.gz NVLJVWVALLCAIJ-CYBMUJFWSA-N -1 1 372.318 2.687 20 10 FFCDMM CCc1nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)[n-]c(=O)c1C ZINC000849920561 1060904289 /nfs/dbraw/zinc/90/42/89/1060904289.db2.gz AQHHMCSUDZDEQB-UHFFFAOYSA-N -1 1 374.510 2.870 20 10 FFCDMM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc(F)c([O-])c1 ZINC001546151661 1062978756 /nfs/dbraw/zinc/97/87/56/1062978756.db2.gz BQDGQRXTCIIROI-UHFFFAOYSA-N -1 1 367.760 2.706 20 10 FFCDMM COc1cc(CO)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001467763486 1063844823 /nfs/dbraw/zinc/84/48/23/1063844823.db2.gz IVHAIGDJSBCYKO-UHFFFAOYSA-N -1 1 366.211 2.586 20 10 FFCDMM C[C@@H](Nc1cccc(N2CCOCC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589985209 1080922978 /nfs/dbraw/zinc/92/29/78/1080922978.db2.gz FCZAOXLNZADJGW-CYBMUJFWSA-N -1 1 366.425 2.582 20 10 FFCDMM C[C@@H]1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000094017537 508163456 /nfs/dbraw/zinc/16/34/56/508163456.db2.gz KNDHZSCCYCGXQE-GFCCVEGCSA-N -1 1 360.435 2.918 20 10 FFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000081617152 508197557 /nfs/dbraw/zinc/19/75/57/508197557.db2.gz JAZYQRLIUGSYKO-UHFFFAOYSA-N -1 1 358.467 2.525 20 10 FFCDMM COc1ccccc1N1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276617376 510942398 /nfs/dbraw/zinc/94/23/98/510942398.db2.gz QFMWMRIMUJTSMY-GFCCVEGCSA-N -1 1 360.385 2.502 20 10 FFCDMM CN(CC(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000277612452 510967474 /nfs/dbraw/zinc/96/74/74/510967474.db2.gz VKZLBBZWJYMLQZ-UHFFFAOYSA-N -1 1 373.247 2.638 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1 ZINC000287564608 511053010 /nfs/dbraw/zinc/05/30/10/511053010.db2.gz KNFAQUBWQUGROT-QJOMJCCJSA-N -1 1 352.442 2.510 20 10 FFCDMM CCc1ccc(N(CC)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC000271253208 511138263 /nfs/dbraw/zinc/13/82/63/511138263.db2.gz LATBDKMWPRIJAH-UHFFFAOYSA-N -1 1 362.451 2.993 20 10 FFCDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(NC(=O)[O-])nc1 ZINC000833874417 605464106 /nfs/dbraw/zinc/46/41/06/605464106.db2.gz LWXUWLMEDVPUQV-UHFFFAOYSA-N -1 1 356.426 2.640 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CO[C@@H](C2CC2)C1 ZINC000858910534 730436434 /nfs/dbraw/zinc/43/64/34/730436434.db2.gz VQKBMJOVWJSOAD-DGCLKSJQSA-N -1 1 355.232 2.521 20 10 FFCDMM [O-]c1c(Br)cc(Cl)cc1CNCc1nnc2n1CCC2 ZINC000882885712 733307846 /nfs/dbraw/zinc/30/78/46/733307846.db2.gz KWNOOTLJNCKKCS-UHFFFAOYSA-N -1 1 357.639 2.636 20 10 FFCDMM C[C@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnnn1C1CC1 ZINC000883102198 733333743 /nfs/dbraw/zinc/33/37/43/733333743.db2.gz JHBXGNUTMJJENR-ZETCQYMHSA-N -1 1 372.654 2.980 20 10 FFCDMM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783262589 738796632 /nfs/dbraw/zinc/79/66/32/738796632.db2.gz MPXPYEFZTFGIMJ-SECBINFHSA-N -1 1 352.289 2.569 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000890758284 734336920 /nfs/dbraw/zinc/33/69/20/734336920.db2.gz UVDIKJIRDVWNEZ-UHFFFAOYSA-N -1 1 350.768 2.936 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCNC(=O)[C@@H]2CC(C)C)c1 ZINC000783728291 738830016 /nfs/dbraw/zinc/83/00/16/738830016.db2.gz KOHWRUKJSBHTMH-AWEZNQCLSA-N -1 1 355.276 2.810 20 10 FFCDMM CSCc1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000731839385 734700109 /nfs/dbraw/zinc/70/01/09/734700109.db2.gz WOTZUEQVLVJCEV-UHFFFAOYSA-N -1 1 366.464 2.879 20 10 FFCDMM C[C@@H](NCc1nnnn1C1CC1)c1cc(Br)cc(Cl)c1[O-] ZINC000756733028 736356312 /nfs/dbraw/zinc/35/63/12/736356312.db2.gz OOWTZZGOECZMAP-SSDOTTSWSA-N -1 1 372.654 2.980 20 10 FFCDMM COC(=O)C[C@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000762633152 736848494 /nfs/dbraw/zinc/84/84/94/736848494.db2.gz JGJSMEZJCCFVCM-ZDUSSCGKSA-N -1 1 357.859 2.729 20 10 FFCDMM C[C@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764797700 737050696 /nfs/dbraw/zinc/05/06/96/737050696.db2.gz MDKHFJAMXHLGQT-GHMZBOCLSA-N -1 1 357.248 2.769 20 10 FFCDMM C[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000764800700 737051101 /nfs/dbraw/zinc/05/11/01/737051101.db2.gz QTRMCURSSXVPRR-PEGIJTEDSA-N -1 1 357.248 2.910 20 10 FFCDMM COc1ccc(NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765233134 737099599 /nfs/dbraw/zinc/09/95/99/737099599.db2.gz FHTASQKMNMXMQM-UHFFFAOYSA-N -1 1 352.188 2.880 20 10 FFCDMM O=C(Cc1n[nH]c2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765726015 737149715 /nfs/dbraw/zinc/14/97/15/737149715.db2.gz CBNVBGLQKZECMX-UHFFFAOYSA-N -1 1 360.211 2.890 20 10 FFCDMM O=C(CCn1cc(Cl)cn1)NCc1cccc(Br)c1[O-] ZINC000765737677 737151273 /nfs/dbraw/zinc/15/12/73/737151273.db2.gz VKAMYCZSGBNARU-UHFFFAOYSA-N -1 1 358.623 2.711 20 10 FFCDMM Nc1cc(C(=O)NCc2cccc(Br)c2[O-])cc(Cl)n1 ZINC000765737768 737151328 /nfs/dbraw/zinc/15/13/28/737151328.db2.gz ZLCAELPJEUXZBX-UHFFFAOYSA-N -1 1 356.607 2.715 20 10 FFCDMM Cc1cc(C)n(CCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765753658 737154326 /nfs/dbraw/zinc/15/43/26/737154326.db2.gz OWOAXLMSRKKNDU-UHFFFAOYSA-N -1 1 352.232 2.675 20 10 FFCDMM O=S(=O)(CCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000766202290 737206937 /nfs/dbraw/zinc/20/69/37/737206937.db2.gz ZGSIKPPTXLCVMB-UHFFFAOYSA-N -1 1 370.268 2.817 20 10 FFCDMM CN(CC(=O)Nc1cccc(Cl)c1)C(=O)c1c([O-])c(O)ccc1F ZINC000789952749 739399475 /nfs/dbraw/zinc/39/94/75/739399475.db2.gz HMKFLXBQJVBQCC-UHFFFAOYSA-N -1 1 352.749 2.601 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C[C@H]2CCOC2)c1[O-] ZINC000933670147 739670118 /nfs/dbraw/zinc/67/01/18/739670118.db2.gz HYXNZPFDZBCJIX-CJNGLKHVSA-N -1 1 353.846 2.876 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)ccc1O ZINC000797819956 740276037 /nfs/dbraw/zinc/27/60/37/740276037.db2.gz YRIIUQFGOJRLHY-UHFFFAOYSA-N -1 1 370.814 2.813 20 10 FFCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)c(OC)c1 ZINC000797820192 740276311 /nfs/dbraw/zinc/27/63/11/740276311.db2.gz KVHDKMNOROXKHA-UHFFFAOYSA-N -1 1 352.368 2.672 20 10 FFCDMM Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1C(=O)[O-] ZINC000808115465 741188262 /nfs/dbraw/zinc/18/82/62/741188262.db2.gz FLMBEWJRLNSIDF-UHFFFAOYSA-N -1 1 359.762 2.992 20 10 FFCDMM CNC(=O)OC[C@@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809779411 741342868 /nfs/dbraw/zinc/34/28/68/741342868.db2.gz LZMOKFNORGWWGX-LBPRGKRZSA-N -1 1 357.794 2.664 20 10 FFCDMM Cc1cc(O)c(C[N@@H+](CC(=O)N2CCCC2)C[C@@H]2CCCO2)cc1Cl ZINC000824870045 743167868 /nfs/dbraw/zinc/16/78/68/743167868.db2.gz LTNZGSYMVGXHSC-INIZCTEOSA-N -1 1 366.889 2.957 20 10 FFCDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3sccc3Cl)C2)cc1 ZINC000849417337 749143387 /nfs/dbraw/zinc/14/33/87/749143387.db2.gz PIAFBLULWNCWIX-LLVKDONJSA-N -1 1 372.899 2.967 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2C(=O)OC(C)(C)C)c1[O-] ZINC000852239911 749811546 /nfs/dbraw/zinc/81/15/46/749811546.db2.gz VMFPIZJXNPKUBD-HNNXBMFYSA-N -1 1 369.845 2.791 20 10 FFCDMM CC(C)=CCN1C[C@]2(CC1=O)COCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001276031754 1013297554 /nfs/dbraw/zinc/29/75/54/1013297554.db2.gz NNUSUAWQLAAFNG-HXUWFJFHSA-N -1 1 362.445 2.548 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1Cl ZINC001594325540 970206876 /nfs/dbraw/zinc/20/68/76/970206876.db2.gz ZIGZFFNRNBQAEY-JSGCOSHPSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)cc1Cl ZINC001594325540 970206882 /nfs/dbraw/zinc/20/68/82/970206882.db2.gz ZIGZFFNRNBQAEY-JSGCOSHPSA-N -1 1 363.845 2.778 20 10 FFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487920 973612323 /nfs/dbraw/zinc/61/23/23/973612323.db2.gz AYMSOILJXSAZPO-DLBZAZTESA-N -1 1 365.433 2.969 20 10 FFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3ccc4ccccc4c3[O-])C2)cn1 ZINC001605487920 973612327 /nfs/dbraw/zinc/61/23/27/973612327.db2.gz AYMSOILJXSAZPO-DLBZAZTESA-N -1 1 365.433 2.969 20 10 FFCDMM NC(=O)c1ccc(O[C@H]2CCC[N@H+](Cc3cc(F)c(F)cc3O)C2)cc1 ZINC001142530387 982612478 /nfs/dbraw/zinc/61/24/78/982612478.db2.gz GVSZUCNUFFMYRA-HNNXBMFYSA-N -1 1 362.376 2.813 20 10 FFCDMM Cc1ccc(C(=O)NC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000881072399 1016114914 /nfs/dbraw/zinc/11/49/14/1016114914.db2.gz HMUOURMBVAAACR-UHFFFAOYSA-N -1 1 372.396 2.580 20 10 FFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]1c1cccc(F)c1 ZINC000846251872 1000245746 /nfs/dbraw/zinc/24/57/46/1000245746.db2.gz LSVSOJMRVWBRTK-DIFFPNOSSA-N -1 1 370.384 2.855 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]1/C=C/c1ccccc1)cc2=O ZINC000846257253 1000247246 /nfs/dbraw/zinc/24/72/46/1000247246.db2.gz NYMOROYEYIPNLP-FDMDGMSGSA-N -1 1 364.405 2.811 20 10 FFCDMM COc1ccc(N2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000789973093 1002255249 /nfs/dbraw/zinc/25/52/49/1002255249.db2.gz BUMWIQKEXJYXOZ-UHFFFAOYSA-N -1 1 360.385 2.644 20 10 FFCDMM COc1c([O-])c(CN(C)Cc2cnn(-c3ccccc3)n2)ccc1[N+](=O)[O-] ZINC000774841450 1002859512 /nfs/dbraw/zinc/85/95/12/1002859512.db2.gz XZHDGEDZHPPZMZ-UHFFFAOYSA-N -1 1 369.381 2.522 20 10 FFCDMM COC(=O)c1cnc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC001170322680 1003109466 /nfs/dbraw/zinc/10/94/66/1003109466.db2.gz LSZBDUODZKWKJC-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM COc1c([O-])c(CN[C@@H](c2nccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774965817 1003157380 /nfs/dbraw/zinc/15/73/80/1003157380.db2.gz VJJKNIDJCHLINZ-MRXNPFEDSA-N -1 1 368.393 2.922 20 10 FFCDMM CCOC(=O)Cc1ccc(CNC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193236741 1004412463 /nfs/dbraw/zinc/41/24/63/1004412463.db2.gz PKQLFYGHDXPWAK-UHFFFAOYSA-N -1 1 363.797 2.787 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCO[C@H](COc2ccccc2)C1 ZINC001193232948 1004412745 /nfs/dbraw/zinc/41/27/45/1004412745.db2.gz RPARPUHGBRTSJG-ZDUSSCGKSA-N -1 1 363.797 2.671 20 10 FFCDMM CC(C)(C)NC(=O)O[C@@H]1CC[C@@H](NC(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193253863 1004421157 /nfs/dbraw/zinc/42/11/57/1004421157.db2.gz BYJOSHSRUATSDR-NXEZZACHSA-N -1 1 370.833 2.927 20 10 FFCDMM COC(=O)c1ccc2c(c1)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])CCC2 ZINC000857314405 1008120103 /nfs/dbraw/zinc/12/01/03/1008120103.db2.gz JXHIPYASWTVHNW-CYBMUJFWSA-N -1 1 373.380 2.873 20 10 FFCDMM COC(=O)c1ccc2c(c1)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])CCC2 ZINC000857314406 1008120555 /nfs/dbraw/zinc/12/05/55/1008120555.db2.gz JXHIPYASWTVHNW-ZDUSSCGKSA-N -1 1 373.380 2.873 20 10 FFCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3C[C@@H](O)C3)c21 ZINC001218432922 1033153185 /nfs/dbraw/zinc/15/31/85/1033153185.db2.gz SBKJXEZGQDBQGI-BFCNOCSMSA-N -1 1 372.373 2.660 20 10 FFCDMM O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc([O-])cc1F ZINC000837708728 1025975434 /nfs/dbraw/zinc/97/54/34/1025975434.db2.gz MVHWBRLBQLUCLI-UHFFFAOYSA-N -1 1 366.339 2.576 20 10 FFCDMM CCOC(=O)c1cc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2s1 ZINC001159279566 1027335070 /nfs/dbraw/zinc/33/50/70/1027335070.db2.gz UUELGABBFGSTIV-UHFFFAOYSA-N -1 1 373.390 2.574 20 10 FFCDMM O=C(NCCc1ccc(Br)cc1)c1c([O-])c(O)ccc1F ZINC001160782319 1027876941 /nfs/dbraw/zinc/87/69/41/1027876941.db2.gz IWEAUUYIXABAKP-UHFFFAOYSA-N -1 1 354.175 2.972 20 10 FFCDMM O=C(Nc1cccc2c1OCCC2)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228449 1028635052 /nfs/dbraw/zinc/63/50/52/1028635052.db2.gz QIRCJMMFVBTION-UHFFFAOYSA-N -1 1 353.330 2.782 20 10 FFCDMM O=C(CCc1nc(-c2ccsc2)no1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782177189 1029601176 /nfs/dbraw/zinc/60/11/76/1029601176.db2.gz MORAXKAIVUGKDQ-UHFFFAOYSA-N -1 1 374.374 2.568 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1ccc(F)cc1 ZINC000782676078 1029781777 /nfs/dbraw/zinc/78/17/77/1029781777.db2.gz CZUPVXVXDIOITE-UHFFFAOYSA-N -1 1 370.336 2.771 20 10 FFCDMM O=C(COC(=O)c1csc(Nc2ccccn2)n1)c1ccc([O-])c(O)c1 ZINC000783731017 1030258127 /nfs/dbraw/zinc/25/81/27/1030258127.db2.gz WAQVYEQTVHHWEN-UHFFFAOYSA-N -1 1 371.374 2.733 20 10 FFCDMM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524736 1030577877 /nfs/dbraw/zinc/57/78/77/1030577877.db2.gz ISDCPDAFPQZTRW-CQSZACIVSA-N -1 1 353.390 2.719 20 10 FFCDMM Cn1cc(-c2ccc(F)c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2)cn1 ZINC000784642887 1030733229 /nfs/dbraw/zinc/73/32/29/1030733229.db2.gz JSOOWHKLSLRFPA-UHFFFAOYSA-N -1 1 370.336 2.677 20 10 FFCDMM Cn1ncc2c1CN(Cc1cccc(F)c1[O-])C[C@H]2COc1cccnc1 ZINC001138124960 1033804291 /nfs/dbraw/zinc/80/42/91/1033804291.db2.gz FPWGTFYADRGGQG-HNNXBMFYSA-N -1 1 368.412 2.838 20 10 FFCDMM Cc1ccc(C2=NO[C@@H](CNC(=O)c3c(F)ccc(O)c3[O-])C2)cc1C ZINC000831365102 1034054219 /nfs/dbraw/zinc/05/42/19/1034054219.db2.gz UMKXBCUAYMXTIH-CYBMUJFWSA-N -1 1 358.369 2.777 20 10 FFCDMM CN(Cc1c(F)ccc(F)c1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001139685491 1035197707 /nfs/dbraw/zinc/19/77/07/1035197707.db2.gz LNHMDGJVKBTGGB-LBPRGKRZSA-N -1 1 372.412 2.738 20 10 FFCDMM Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001140465607 1035485522 /nfs/dbraw/zinc/48/55/22/1035485522.db2.gz QWBLXOMTEAWVKG-UHFFFAOYSA-N -1 1 360.845 2.531 20 10 FFCDMM [O-]c1cc(O)c(CN2CCn3cnc(COCC4CC4)c3C2)cc1Cl ZINC001232260254 1035532209 /nfs/dbraw/zinc/53/22/09/1035532209.db2.gz SUQGWNUHZCSEDI-UHFFFAOYSA-N -1 1 363.845 2.890 20 10 FFCDMM CCOC(=O)[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001228111582 1035939058 /nfs/dbraw/zinc/93/90/58/1035939058.db2.gz VXHDFOLRRXFMKO-SFHVURJKSA-N -1 1 372.373 2.755 20 10 FFCDMM COC(C[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)OC ZINC001228111553 1035939534 /nfs/dbraw/zinc/93/95/34/1035939534.db2.gz VPWQMFMZYQNACX-LLVKDONJSA-N -1 1 362.378 2.811 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCCC[C@](O)(CF)C1 ZINC001233026701 1036268681 /nfs/dbraw/zinc/26/86/81/1036268681.db2.gz DAXZIVYKBDPUNC-AWEZNQCLSA-N -1 1 350.203 2.980 20 10 FFCDMM O=C1CCC2(CCN(Cc3c([O-])cc(Br)cc3F)CC2)N1 ZINC001233032524 1036271704 /nfs/dbraw/zinc/27/17/04/1036271704.db2.gz HTLDSMNZQPMVLM-UHFFFAOYSA-N -1 1 357.223 2.538 20 10 FFCDMM CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452654 1037591846 /nfs/dbraw/zinc/59/18/46/1037591846.db2.gz QPIGWFONGLLXNB-OAHLLOKOSA-N -1 1 364.442 2.922 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)C(C)(C)C1 ZINC001231563503 1037687840 /nfs/dbraw/zinc/68/78/40/1037687840.db2.gz BPISHCFIKUSPID-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM COC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(C)cc(Br)c1[O-] ZINC001236669501 1038183817 /nfs/dbraw/zinc/18/38/17/1038183817.db2.gz KDIYUERCBPCZRX-OSMZGAPFSA-N -1 1 354.244 2.989 20 10 FFCDMM COC[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])Cc2nnn(C)c21 ZINC001236790799 1038271851 /nfs/dbraw/zinc/27/18/51/1038271851.db2.gz VDWHHXLGTQPKIV-SNVBAGLBSA-N -1 1 357.241 2.573 20 10 FFCDMM O=S1(=O)CC[C@H](CF)C12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236798613 1038276322 /nfs/dbraw/zinc/27/63/22/1038276322.db2.gz IOFXFNGFXLODIX-SNVBAGLBSA-N -1 1 368.257 2.658 20 10 FFCDMM COc1cc([O-])c(CN2CCn3nc(C(F)(F)F)nc3C2)c(Cl)c1 ZINC001236798305 1038276415 /nfs/dbraw/zinc/27/64/15/1038276415.db2.gz MZTOXYNVJCDICT-UHFFFAOYSA-N -1 1 362.739 2.680 20 10 FFCDMM CC(=O)N1CCC[C@]2(CN(Cc3c([O-])ccc(Cl)c3Cl)CCO2)C1 ZINC001237082442 1038438548 /nfs/dbraw/zinc/43/85/48/1038438548.db2.gz ZTUVAIMWHWUDTN-KRWDZBQOSA-N -1 1 373.280 2.912 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2nccnc2Cl)CC1 ZINC001237119775 1038448720 /nfs/dbraw/zinc/44/87/20/1038448720.db2.gz FJRPIOGGPSNXIS-UHFFFAOYSA-N -1 1 357.216 2.950 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)CCO1 ZINC001237124261 1038450363 /nfs/dbraw/zinc/45/03/63/1038450363.db2.gz NIIIXNHBBAEQFY-LLVKDONJSA-N -1 1 374.840 2.910 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3ncsc3c2)ccc1O ZINC001259395798 1039969410 /nfs/dbraw/zinc/96/94/10/1039969410.db2.gz AIYVXPANWWCGOZ-UHFFFAOYSA-N -1 1 364.404 2.589 20 10 FFCDMM COc1ccc(CN2CC(C)(F)C2)c([O-])c1I ZINC001248481873 1040297777 /nfs/dbraw/zinc/29/77/77/1040297777.db2.gz JATRAYYLFBVJPG-UHFFFAOYSA-N -1 1 351.159 2.549 20 10 FFCDMM O=S(=O)([N-]c1cc(O)c(F)c(F)c1)c1ccc(Cl)c2nonc21 ZINC001261073048 1040979382 /nfs/dbraw/zinc/97/93/82/1040979382.db2.gz OIXLFNZQQMKRPL-UHFFFAOYSA-N -1 1 361.713 2.661 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cccc2c1OCCCO2 ZINC001214006367 1041158085 /nfs/dbraw/zinc/15/80/85/1041158085.db2.gz JIJBAXGWYSNXHY-UHFFFAOYSA-N -1 1 369.826 2.685 20 10 FFCDMM CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001279491108 1043178453 /nfs/dbraw/zinc/17/84/53/1043178453.db2.gz VEZWWCJHMDVQPD-ZNMIVQPWSA-N -1 1 360.404 2.978 20 10 FFCDMM CC[C@@]12C[C@@H](CO1)N(Cc1cccc(I)c1[O-])C2 ZINC001237783432 1043356136 /nfs/dbraw/zinc/35/61/36/1043356136.db2.gz LYZXPYSQSIBEIL-FZMZJTMJSA-N -1 1 359.207 2.750 20 10 FFCDMM CCCCOC1CN(Cc2cccc(I)c2[O-])C1 ZINC001237781205 1043352397 /nfs/dbraw/zinc/35/23/97/1043352397.db2.gz UJBZUHYXGHGQDY-UHFFFAOYSA-N -1 1 361.223 2.998 20 10 FFCDMM Cc1cc(C)nc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)n1 ZINC001237937651 1043444168 /nfs/dbraw/zinc/44/41/68/1043444168.db2.gz SRZNSIXWFVNSJZ-UHFFFAOYSA-N -1 1 350.825 2.914 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1=O ZINC001237949444 1043450675 /nfs/dbraw/zinc/45/06/75/1043450675.db2.gz LWCNHFQKTBWJSW-UHFFFAOYSA-N -1 1 358.797 2.764 20 10 FFCDMM O=C(NC1CCC(F)CC1)[C@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001279740206 1043563521 /nfs/dbraw/zinc/56/35/21/1043563521.db2.gz PIHOARPCFATCFC-ORHYLEIMSA-N -1 1 368.399 2.889 20 10 FFCDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1C ZINC001318610471 1044770578 /nfs/dbraw/zinc/77/05/78/1044770578.db2.gz WZERKQNRDCTYSC-UHFFFAOYSA-N -1 1 370.421 2.826 20 10 FFCDMM CC[C@@H](C)n1ncc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC001337952752 1055122935 /nfs/dbraw/zinc/12/29/35/1055122935.db2.gz ZOXWQBBTGIGUKE-SNVBAGLBSA-N -1 1 364.833 2.776 20 10 FFCDMM Cc1nc2ccc(S(=O)(=O)[N-]c3cccc(N4CCOCC4)c3)cc2o1 ZINC001338845698 1055866256 /nfs/dbraw/zinc/86/62/56/1055866256.db2.gz VKCHMXXBIDXHRZ-UHFFFAOYSA-N -1 1 373.434 2.774 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(C(F)(F)F)n[nH]1 ZINC001448962512 1058845647 /nfs/dbraw/zinc/84/56/47/1058845647.db2.gz JBZSZUFFTLUGQO-UHFFFAOYSA-N -1 1 364.121 2.827 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ccnn1C1CCCC1 ZINC001354794701 1059500212 /nfs/dbraw/zinc/50/02/12/1059500212.db2.gz WSYXMRXGWUWFAO-UHFFFAOYSA-N -1 1 362.817 2.612 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ccccc1N1CCCC1 ZINC001517658959 1060583118 /nfs/dbraw/zinc/58/31/18/1060583118.db2.gz IVONXAFDCPYKAY-UHFFFAOYSA-N -1 1 373.840 2.901 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(c1F)CCNC2=O ZINC001562789878 1072107065 /nfs/dbraw/zinc/10/70/65/1072107065.db2.gz ZTQCPNDVVMZOAW-UHFFFAOYSA-N -1 1 363.776 2.792 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1n[nH]cc1-c1nnn[n-]1 ZINC001581137483 1078924166 /nfs/dbraw/zinc/92/41/66/1078924166.db2.gz IOECABFWNVETKN-UHFFFAOYSA-N -1 1 362.397 2.558 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)Nc1n[nH]cc1-c1nn[n-]n1 ZINC001581137483 1078924171 /nfs/dbraw/zinc/92/41/71/1078924171.db2.gz IOECABFWNVETKN-UHFFFAOYSA-N -1 1 362.397 2.558 20 10 FFCDMM O=C(COc1ccc(Br)cn1)NCc1cccc(Cl)c1[O-] ZINC001558757502 1076070601 /nfs/dbraw/zinc/07/06/01/1076070601.db2.gz HIQWTDWFJCBPDS-UHFFFAOYSA-N -1 1 371.618 2.898 20 10 FFCDMM C[C@@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589985548 1080922517 /nfs/dbraw/zinc/92/25/17/1080922517.db2.gz LNTBUXXKBRLWCH-GFCCVEGCSA-N -1 1 364.409 2.872 20 10 FFCDMM Cc1cc(C)c2c(c1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCC2 ZINC000094099704 508167545 /nfs/dbraw/zinc/16/75/45/508167545.db2.gz WVDKNZUEJDGEBK-UHFFFAOYSA-N -1 1 374.462 2.974 20 10 FFCDMM Cn1ccnc1[C@@H](O)[C@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191444792 510663702 /nfs/dbraw/zinc/66/37/02/510663702.db2.gz IABDLOBLLGRAAJ-ZBEGNZNMSA-N -1 1 353.825 2.864 20 10 FFCDMM COc1ccc(C(=O)C2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000276576250 510943000 /nfs/dbraw/zinc/94/30/00/510943000.db2.gz LOXWROIWIIEPDA-UHFFFAOYSA-N -1 1 373.380 2.981 20 10 FFCDMM CCn1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC000277607441 510967442 /nfs/dbraw/zinc/96/74/42/510967442.db2.gz UYRMQXLIPHAFLE-UHFFFAOYSA-N -1 1 352.232 2.918 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCCO1 ZINC000277604881 510967701 /nfs/dbraw/zinc/96/77/01/510967701.db2.gz VMEVRHLUGQXIEP-GXFFZTMASA-N -1 1 357.248 2.912 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886429 511011880 /nfs/dbraw/zinc/01/18/80/511011880.db2.gz OZNOXZKRQUNOCZ-ZFWWWQNUSA-N -1 1 362.382 2.990 20 10 FFCDMM C[C@H]1COCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000286690040 511030634 /nfs/dbraw/zinc/03/06/34/511030634.db2.gz CXUKZCUKZBLYDR-WDEREUQCSA-N -1 1 357.248 2.627 20 10 FFCDMM C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000296572211 511802503 /nfs/dbraw/zinc/80/25/03/511802503.db2.gz DGAQSQKNZBDIGB-CMPLNLGQSA-N -1 1 368.405 2.612 20 10 FFCDMM C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000528281981 518163243 /nfs/dbraw/zinc/16/32/43/518163243.db2.gz QEZGYASQYLHUEZ-XHSYRHOGSA-N -1 1 357.248 2.766 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCN([C@@H](C)CC(=O)[O-])CC2)cc1 ZINC000832925815 601096780 /nfs/dbraw/zinc/09/67/80/601096780.db2.gz XSMAIYVJIRWQMR-KRWDZBQOSA-N -1 1 369.465 2.715 20 10 FFCDMM Cc1cc(Br)cc(C[N@H+]2CCC[C@H](CNC(=O)[O-])C2)c1O ZINC000833898529 605989205 /nfs/dbraw/zinc/98/92/05/605989205.db2.gz VJIXWSSGLVXYFV-LLVKDONJSA-N -1 1 357.248 2.943 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)s2)SC(=S)N1c1cccnc1 ZINC000823504479 606389930 /nfs/dbraw/zinc/38/99/30/606389930.db2.gz QQIPVWJVWCNTGK-WDZFZDKYSA-N -1 1 372.460 2.729 20 10 FFCDMM CN(C)c1ccc(CN(C(=O)c2ccc(-c3nnn[n-]3)s2)C2CC2)cc1 ZINC000821589529 606503354 /nfs/dbraw/zinc/50/33/54/606503354.db2.gz RRUPMYIPZQFXIP-UHFFFAOYSA-N -1 1 368.466 2.799 20 10 FFCDMM CN(C)c1ccc(CN(C(=O)c2ccc(-c3nn[n-]n3)s2)C2CC2)cc1 ZINC000821589529 606503355 /nfs/dbraw/zinc/50/33/55/606503355.db2.gz RRUPMYIPZQFXIP-UHFFFAOYSA-N -1 1 368.466 2.799 20 10 FFCDMM Cc1ccc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c(Cl)c1 ZINC000025368928 727859650 /nfs/dbraw/zinc/85/96/50/727859650.db2.gz UFXFQGACXOJUJZ-UHFFFAOYSA-N -1 1 374.871 2.821 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cccnc3)CC2)c1[O-] ZINC000091077190 728454298 /nfs/dbraw/zinc/45/42/98/728454298.db2.gz ZSNPPRFOHVWGPX-UHFFFAOYSA-N -1 1 359.857 2.961 20 10 FFCDMM Cc1cc(Cl)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093907906 728478271 /nfs/dbraw/zinc/47/82/71/728478271.db2.gz IOBFWDXLMHTWEA-UHFFFAOYSA-N -1 1 354.815 2.978 20 10 FFCDMM CC[C@@H]1C(=O)N(CC)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000779215042 738443832 /nfs/dbraw/zinc/44/38/32/738443832.db2.gz GZYYFWIJCVLEIP-CQSZACIVSA-N -1 1 355.276 2.906 20 10 FFCDMM [O-]c1c(F)cccc1CN1CC(O)(c2cccc(Br)c2)C1 ZINC000857069813 730377424 /nfs/dbraw/zinc/37/74/24/730377424.db2.gz UKORLRXEURRYMP-UHFFFAOYSA-N -1 1 352.203 2.997 20 10 FFCDMM CC(C)(C)OC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CCC1 ZINC000857341867 730392735 /nfs/dbraw/zinc/39/27/35/730392735.db2.gz JJDFVYRCUHODSB-NSHDSACASA-N -1 1 353.390 2.725 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CO[C@H](C2CC2)C1 ZINC000858910532 730436363 /nfs/dbraw/zinc/43/63/63/730436363.db2.gz VQKBMJOVWJSOAD-AAEUAGOBSA-N -1 1 355.232 2.521 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1C[C@H]1C1CCOCC1 ZINC000869209416 731375493 /nfs/dbraw/zinc/37/54/93/731375493.db2.gz VTBNOTJXFHHCDY-GXTWGEPZSA-N -1 1 369.259 2.769 20 10 FFCDMM O=C(CCOc1ccccc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782729310 738752334 /nfs/dbraw/zinc/75/23/34/738752334.db2.gz PHBHTMLOPXXXHP-UHFFFAOYSA-N -1 1 350.754 2.946 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@]1(c2ccccc2)CCC(=O)NC1 ZINC000890759908 734336712 /nfs/dbraw/zinc/33/67/12/734336712.db2.gz VNRIYRXMHIKNJQ-IBGZPJMESA-N -1 1 358.825 2.510 20 10 FFCDMM Cn1nc(C(=O)OC(C)(C)C)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763638 734337205 /nfs/dbraw/zinc/33/72/05/734337205.db2.gz ZGHUUMRJKRGXGE-UHFFFAOYSA-N -1 1 365.817 2.664 20 10 FFCDMM O=C(NCCOCC(F)(F)C(F)F)NCc1cccc(Cl)c1[O-] ZINC000894455055 734860964 /nfs/dbraw/zinc/86/09/64/734860964.db2.gz DQOFLZMCWBRWHL-UHFFFAOYSA-N -1 1 358.719 2.762 20 10 FFCDMM O=C([N-]C[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2[O-])C1)C(F)(F)F ZINC000894795688 734918438 /nfs/dbraw/zinc/91/84/38/734918438.db2.gz SNHUCOOQDRGECH-VIFPVBQESA-N -1 1 352.303 2.561 20 10 FFCDMM Cn1cc(C[C@@H]2CCC[C@@H]2NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000895808842 735058061 /nfs/dbraw/zinc/05/80/61/735058061.db2.gz UFYNSRONKXOQJM-BBRMVZONSA-N -1 1 362.861 2.990 20 10 FFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCCCSc1nccs1 ZINC000747393467 735561512 /nfs/dbraw/zinc/56/15/12/735561512.db2.gz DXHQJDJTXVFSMF-UHFFFAOYSA-N -1 1 356.498 2.581 20 10 FFCDMM O=C(NCCOCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000764764317 737047452 /nfs/dbraw/zinc/04/74/52/737047452.db2.gz NYVSPXNKYLUDFX-UHFFFAOYSA-N -1 1 371.153 2.533 20 10 FFCDMM CO[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764788767 737050090 /nfs/dbraw/zinc/05/00/90/737050090.db2.gz BUFNQUXCCPTRFA-NWDGAFQWSA-N -1 1 357.248 2.767 20 10 FFCDMM O=C(Cn1ncc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765731934 737150217 /nfs/dbraw/zinc/15/02/17/737150217.db2.gz MYVCOLKXQMHUBN-UHFFFAOYSA-N -1 1 360.211 2.821 20 10 FFCDMM Nc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765747551 737153001 /nfs/dbraw/zinc/15/30/01/737153001.db2.gz PKCXTMPRWZORDT-UHFFFAOYSA-N -1 1 366.171 2.575 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@H](C)c2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000920980741 737937903 /nfs/dbraw/zinc/93/79/03/737937903.db2.gz ZJPPWHGLESUUEV-GYBQTFJISA-N -1 1 365.886 2.774 20 10 FFCDMM COc1c([O-])c(CN2CCC[C@@H]2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000774907831 738039022 /nfs/dbraw/zinc/03/90/22/738039022.db2.gz HHNKIKGLVSJDBE-CYBMUJFWSA-N -1 1 352.387 2.615 20 10 FFCDMM CC(=O)Nc1cc(S(=O)(=O)Nc2cc(C)c(O)c(C)c2C)ccc1[O-] ZINC000775293810 738080382 /nfs/dbraw/zinc/08/03/82/738080382.db2.gz GBXJSXHNHGLZRB-UHFFFAOYSA-N -1 1 364.423 2.782 20 10 FFCDMM CN(Cc1cc(Cl)cc(F)c1[O-])[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000775702484 738114925 /nfs/dbraw/zinc/11/49/25/738114925.db2.gz XNTRPHFSGZDGJN-LLVKDONJSA-N -1 1 354.731 2.780 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnn1CC(F)F ZINC000790065090 739415498 /nfs/dbraw/zinc/41/54/98/739415498.db2.gz IBHAIYDVACFHQE-UHFFFAOYSA-N -1 1 360.158 2.546 20 10 FFCDMM C[C@H]1OCC[C@]12CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931301 739515541 /nfs/dbraw/zinc/51/55/41/739515541.db2.gz GGYZSOIRTRTDAX-UVWXRNBGSA-N -1 1 356.806 2.722 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932982381 739548978 /nfs/dbraw/zinc/54/89/78/739548978.db2.gz JEGQOGBGBUVABU-BXKDBHETSA-N -1 1 352.740 2.812 20 10 FFCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000792702737 739695962 /nfs/dbraw/zinc/69/59/62/739695962.db2.gz FIDCHAGLGASOPZ-UHFFFAOYSA-N -1 1 353.421 2.702 20 10 FFCDMM O=C(NCc1cccnc1F)NCc1cccc(Br)c1[O-] ZINC000793208445 739752746 /nfs/dbraw/zinc/75/27/46/739752746.db2.gz JZMAFNOQPHHFFX-UHFFFAOYSA-N -1 1 354.179 2.688 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1C)OCO2 ZINC000794874218 739938431 /nfs/dbraw/zinc/93/84/31/739938431.db2.gz JJPLREJKECGBRI-UHFFFAOYSA-N -1 1 353.421 2.952 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1O ZINC000797820375 740276360 /nfs/dbraw/zinc/27/63/60/740276360.db2.gz UTQWNVINBSSPKX-UHFFFAOYSA-N -1 1 352.368 2.727 20 10 FFCDMM CCc1ncnc(CC)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000816496395 742034980 /nfs/dbraw/zinc/03/49/80/742034980.db2.gz INVYUAYSXHHUNG-UHFFFAOYSA-N -1 1 364.243 3.000 20 10 FFCDMM O=C(NCCCC1(O)CCC1)NCc1cccc(Br)c1[O-] ZINC000817174545 742101295 /nfs/dbraw/zinc/10/12/95/742101295.db2.gz IWHWUIXDCJLRBP-UHFFFAOYSA-N -1 1 357.248 2.649 20 10 FFCDMM COC1(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCCCC1 ZINC000834810905 745905345 /nfs/dbraw/zinc/90/53/45/745905345.db2.gz KYHVDBKCYXHFTC-UHFFFAOYSA-N -1 1 367.427 2.620 20 10 FFCDMM CO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCC2 ZINC000838766276 746709203 /nfs/dbraw/zinc/70/92/03/746709203.db2.gz LOXKCNYYKCBMRU-CHWSQXEVSA-N -1 1 369.259 2.912 20 10 FFCDMM COc1c([O-])c([C@H]2NC(C)(C)C(=O)N2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000840828432 747195340 /nfs/dbraw/zinc/19/53/40/747195340.db2.gz MUPVAXDVJDMIGJ-AWEZNQCLSA-N -1 1 351.403 2.564 20 10 FFCDMM COc1c([O-])c(C[N@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000840997730 747253204 /nfs/dbraw/zinc/25/32/04/747253204.db2.gz HXUYOTRDDCLSEE-OSMZGAPFSA-N -1 1 350.371 2.527 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000840997730 747253210 /nfs/dbraw/zinc/25/32/10/747253210.db2.gz HXUYOTRDDCLSEE-OSMZGAPFSA-N -1 1 350.371 2.527 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1COC2(CCC2)C1 ZINC000852544452 749887517 /nfs/dbraw/zinc/88/75/17/749887517.db2.gz SMZXPCLUAPPHRN-NSHDSACASA-N -1 1 355.232 2.666 20 10 FFCDMM O=C(/C=C\c1ccc(O)c(O)c1)Nc1nc(Br)ccc1[O-] ZINC000588611286 845984712 /nfs/dbraw/zinc/98/47/12/845984712.db2.gz WWECFSBRMFZFLF-KXFIGUGUSA-N -1 1 351.156 2.613 20 10 FFCDMM CC(C)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1O ZINC001175756480 1013553264 /nfs/dbraw/zinc/55/32/64/1013553264.db2.gz LZIPOKZZAZEYLG-UHFFFAOYSA-N -1 1 364.423 2.845 20 10 FFCDMM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1)c1ccc([O-])c(O)c1 ZINC000783073766 970743138 /nfs/dbraw/zinc/74/31/38/970743138.db2.gz CZPGOVZXRLTRGC-UHFFFAOYSA-N -1 1 356.290 2.527 20 10 FFCDMM C[C@@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298500 994716046 /nfs/dbraw/zinc/71/60/46/994716046.db2.gz JXFMMHGAEWLGHN-HIFRSBDPSA-N -1 1 371.437 2.530 20 10 FFCDMM CCOCCOc1cc(C)ccc1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000826805996 1016083992 /nfs/dbraw/zinc/08/39/92/1016083992.db2.gz WMIMSVUZRFKBPB-UHFFFAOYSA-N -1 1 363.385 2.891 20 10 FFCDMM COC(=O)Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cc1 ZINC000733731141 999055432 /nfs/dbraw/zinc/05/54/32/999055432.db2.gz JWEZSYJRBUILRK-UHFFFAOYSA-N -1 1 374.462 2.803 20 10 FFCDMM COC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CCCCCC1 ZINC001184357446 1002567061 /nfs/dbraw/zinc/56/70/61/1002567061.db2.gz QUGBFJMMJYJSOX-GFCCVEGCSA-N -1 1 353.390 2.726 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2cccc3n[nH]cc32)CC1 ZINC001193232133 1004411134 /nfs/dbraw/zinc/41/11/34/1004411134.db2.gz FFTNLCFVAJTZHO-UHFFFAOYSA-N -1 1 372.812 2.590 20 10 FFCDMM O=C(CNC(=O)c1cncc(-c2ccsc2)c1)c1ccc([O-])c(O)c1 ZINC001193998951 1004636544 /nfs/dbraw/zinc/63/65/44/1004636544.db2.gz VBCHWOOBTJAHIG-UHFFFAOYSA-N -1 1 354.387 2.834 20 10 FFCDMM COC(=O)COc1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001199088560 1004830002 /nfs/dbraw/zinc/83/00/02/1004830002.db2.gz DJFJLHQBHHNUHG-UHFFFAOYSA-N -1 1 364.785 2.919 20 10 FFCDMM CC(C)(C)OC(=O)[C@@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1(C)C ZINC000850128258 1005788182 /nfs/dbraw/zinc/78/81/82/1005788182.db2.gz YLBKXBJQBONKTF-IBGZPJMESA-N -1 1 364.394 2.582 20 10 FFCDMM O=C(c1ccc(NCc2cc(F)cc(F)c2[O-])cc1F)N1CCOCC1 ZINC000883217965 1006707701 /nfs/dbraw/zinc/70/77/01/1006707701.db2.gz RQKAETTWFLJWNN-UHFFFAOYSA-N -1 1 366.339 2.894 20 10 FFCDMM C[C@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863942110 1010363060 /nfs/dbraw/zinc/36/30/60/1010363060.db2.gz LHBHTRANTYLBEB-WDEREUQCSA-N -1 1 368.405 2.755 20 10 FFCDMM Cc1cc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)ccn1 ZINC001217055939 1032599438 /nfs/dbraw/zinc/59/94/38/1032599438.db2.gz CKCKYZMBDUPAMS-UHFFFAOYSA-N -1 1 352.394 2.645 20 10 FFCDMM CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H]1Oc1ccccc1 ZINC000828862703 1032877053 /nfs/dbraw/zinc/87/70/53/1032877053.db2.gz XPQRQPASXUQERU-JCKWVBRZSA-N -1 1 361.369 2.592 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@H](c2nccc(C(F)(F)F)n2)C1 ZINC000900749744 1020629263 /nfs/dbraw/zinc/62/92/63/1020629263.db2.gz BNXLDFOEZBBVIF-QMMMGPOBSA-N -1 1 371.290 2.675 20 10 FFCDMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)n1-c1ccccc1C ZINC000156560867 1022374289 /nfs/dbraw/zinc/37/42/89/1022374289.db2.gz OIBWKJYQOZIJEG-ZDUSSCGKSA-N -1 1 352.442 2.791 20 10 FFCDMM CC(=O)N(C)[C@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374245 1026071364 /nfs/dbraw/zinc/07/13/64/1026071364.db2.gz CPSOOWZFPVFWST-LBPRGKRZSA-N -1 1 361.667 2.861 20 10 FFCDMM CCOC(=O)c1c(Cl)cc(C)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159273398 1027332431 /nfs/dbraw/zinc/33/24/31/1027332431.db2.gz WCFPBMLLAUWEPS-UHFFFAOYSA-N -1 1 364.785 2.926 20 10 FFCDMM O=C(CNC(=O)c1sc2ncccc2c1Cl)c1ccc([O-])c(O)c1 ZINC001154065227 1028132017 /nfs/dbraw/zinc/13/20/17/1028132017.db2.gz DIOJCOJUKJOZRO-UHFFFAOYSA-N -1 1 362.794 2.974 20 10 FFCDMM Cc1ccc(CCCO)c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c1 ZINC001155228594 1028635105 /nfs/dbraw/zinc/63/51/05/1028635105.db2.gz SPCQHKANTDORCU-UHFFFAOYSA-N -1 1 369.373 2.690 20 10 FFCDMM O=C(CSc1cnc2ccccc2n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000781971171 1029502447 /nfs/dbraw/zinc/50/24/47/1029502447.db2.gz WXBXJCNJTYHKRV-UHFFFAOYSA-N -1 1 370.386 2.559 20 10 FFCDMM CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1Cc1cccc(F)c1[O-] ZINC001138124848 1033804277 /nfs/dbraw/zinc/80/42/77/1033804277.db2.gz AKTAAWPLGZHTDX-KRWDZBQOSA-N -1 1 360.433 2.544 20 10 FFCDMM O=C(c1cscn1)N1CC[C@@H]2[C@@H]1CCN2Cc1c(F)ccc(F)c1[O-] ZINC001139683292 1035196851 /nfs/dbraw/zinc/19/68/51/1035196851.db2.gz HBYFHTMIVUXMTO-CABCVRRESA-N -1 1 365.405 2.616 20 10 FFCDMM COC[C@H]1C[N@H+](Cc2cc(F)ccc2O)CCN1C(=O)OC(C)(C)C ZINC001140057798 1035325368 /nfs/dbraw/zinc/32/53/68/1035325368.db2.gz MXFUJXPRXGCQQA-OAHLLOKOSA-N -1 1 354.422 2.599 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1F ZINC001232267795 1035538319 /nfs/dbraw/zinc/53/83/19/1035538319.db2.gz MECPYVOIRACEKX-NWDGAFQWSA-N -1 1 360.813 2.798 20 10 FFCDMM [O-]c1cc(F)cc(F)c1CN1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001140581391 1035661073 /nfs/dbraw/zinc/66/10/73/1035661073.db2.gz QXZBPFOOPVAKDE-WDSOQIARSA-N -1 1 362.376 2.876 20 10 FFCDMM COC(=O)[C@@H]1CCC[C@@H]1Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228108276 1035937599 /nfs/dbraw/zinc/93/75/99/1035937599.db2.gz DJEQXIIKJWJVML-CJNGLKHVSA-N -1 1 372.373 2.755 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2cccc3c2OCCO3)CC1 ZINC001233335192 1036540769 /nfs/dbraw/zinc/54/07/69/1036540769.db2.gz KWVNETVNESOXGR-UHFFFAOYSA-N -1 1 362.376 2.764 20 10 FFCDMM CCCOC(=O)[C@@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197459 1036547054 /nfs/dbraw/zinc/54/70/54/1036547054.db2.gz PCRNCBNOFVAWIK-SNVBAGLBSA-N -1 1 370.357 2.594 20 10 FFCDMM CCN1CCC[C@@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229197780 1036548777 /nfs/dbraw/zinc/54/87/77/1036548777.db2.gz QFDPWHFBWDNUMG-GFCCVEGCSA-N -1 1 367.401 2.736 20 10 FFCDMM O=C(c1ccccn1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233420100 1036613925 /nfs/dbraw/zinc/61/39/25/1036613925.db2.gz ZQCUZZUFRBDZOT-UHFFFAOYSA-N -1 1 365.355 2.764 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1C(=O)OCC1(C)C)C(=O)c1ccccc1C2=O ZINC001229828945 1036922559 /nfs/dbraw/zinc/92/25/59/1036922559.db2.gz IVCMXFSJXBXTGQ-LJQANCHMSA-N -1 1 366.369 2.806 20 10 FFCDMM COCCCN1CC[C@@]2(CCCN2Cc2cc(F)cc(Cl)c2[O-])C1=O ZINC001277509113 1037547847 /nfs/dbraw/zinc/54/78/47/1037547847.db2.gz AOPKCLJSJHBXSX-SFHVURJKSA-N -1 1 370.852 2.788 20 10 FFCDMM COc1cc([O-])c(CN2CCn3cc(Cn4cccn4)nc3C2)c(Cl)c1 ZINC001236799229 1038277345 /nfs/dbraw/zinc/27/73/45/1038277345.db2.gz ZVXWSVREZOIALL-UHFFFAOYSA-N -1 1 373.844 2.511 20 10 FFCDMM COC(=O)[C@@H]1COCCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001236798086 1038277564 /nfs/dbraw/zinc/27/75/64/1038277564.db2.gz FZHRBHHHWPPSNY-NSHDSACASA-N -1 1 360.237 2.711 20 10 FFCDMM COCc1cnc2n1CCN(Cc1c([O-])cc(OC)cc1Cl)[C@H]2C ZINC001236798075 1038277598 /nfs/dbraw/zinc/27/75/98/1038277598.db2.gz SFMNRAYZVCWSJS-NSHDSACASA-N -1 1 351.834 2.974 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2Cl)[C@H](CO)C1 ZINC001237125067 1038450985 /nfs/dbraw/zinc/45/09/85/1038450985.db2.gz WPASPHPAAQMHLO-NSHDSACASA-N -1 1 374.840 2.598 20 10 FFCDMM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3c([O-])ccc(F)c3Cl)[C@@H]2C1 ZINC001237125774 1038451020 /nfs/dbraw/zinc/45/10/20/1038451020.db2.gz VVHXHUKBFXHYDX-SGIREYDYSA-N -1 1 370.852 2.689 20 10 FFCDMM CN(C1CC1)[C@@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])C1 ZINC001251415780 1039120560 /nfs/dbraw/zinc/12/05/60/1039120560.db2.gz MKDZSIQVJGCTQN-LLVKDONJSA-N -1 1 365.282 2.556 20 10 FFCDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1ccc([O-])c(F)c1F)C(=O)C2 ZINC001258985044 1039640144 /nfs/dbraw/zinc/64/01/44/1039640144.db2.gz CTIMBZLVEXEYTG-JDNHERCYSA-N -1 1 359.394 2.808 20 10 FFCDMM COC(=O)[N-]C(=S)N(c1cc(F)c(N)c(F)c1)c1ccccc1N ZINC001210912392 1039821948 /nfs/dbraw/zinc/82/19/48/1039821948.db2.gz KJVGBBTVTRSLMU-UHFFFAOYSA-N -1 1 352.366 2.908 20 10 FFCDMM O=c1ccc2cc(S(=O)(=O)Nc3cc(F)c([O-])c(F)c3)ccc2o1 ZINC001260452140 1040600978 /nfs/dbraw/zinc/60/09/78/1040600978.db2.gz CGVJAXRGXBVFAK-UHFFFAOYSA-N -1 1 353.302 2.578 20 10 FFCDMM CCCC[C@@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCN1 ZINC001239117348 1044035562 /nfs/dbraw/zinc/03/55/62/1044035562.db2.gz NHZCMYWPYWXUEP-LLVKDONJSA-N -1 1 367.298 2.852 20 10 FFCDMM CCOC(=O)c1cc2c(cc(C)nc2-c2cnc(F)c(C(=O)[O-])c2)n1C ZINC001244753817 1045194073 /nfs/dbraw/zinc/19/40/73/1045194073.db2.gz ZIEOTFQCUXOSKR-UHFFFAOYSA-N -1 1 357.341 2.958 20 10 FFCDMM COc1ccccc1-c1cc(CNC(=O)c2c(F)ccc(O)c2[O-])on1 ZINC001306880804 1048216625 /nfs/dbraw/zinc/21/66/25/1048216625.db2.gz FKWSOLMGAPFOMS-UHFFFAOYSA-N -1 1 358.325 2.831 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@H](c2nn[n-]n2)C1 ZINC001347472466 1054018533 /nfs/dbraw/zinc/01/85/33/1054018533.db2.gz CUQBGSNZLAKYAY-HNNXBMFYSA-N -1 1 350.426 2.545 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C)c1 ZINC001349002004 1055046603 /nfs/dbraw/zinc/04/66/03/1055046603.db2.gz IKGJZOFBJUCZSX-HNNXBMFYSA-N -1 1 350.426 2.545 20 10 FFCDMM [O-]c1c(Br)cc(Cl)cc1CN1CC[C@@H](n2cncn2)C1 ZINC001353594618 1056565011 /nfs/dbraw/zinc/56/50/11/1056565011.db2.gz RLMUMHWAZCEMCG-LLVKDONJSA-N -1 1 357.639 2.847 20 10 FFCDMM O=C(Cn1nc(-c2ccccc2)ccc1=O)NCc1cccc(Cl)c1[O-] ZINC001457039181 1060260484 /nfs/dbraw/zinc/26/04/84/1060260484.db2.gz VLPQGQSXTMCKAA-UHFFFAOYSA-N -1 1 369.808 2.586 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001457741726 1060436143 /nfs/dbraw/zinc/43/61/43/1060436143.db2.gz HXPTVKKRYXHTNM-UHFFFAOYSA-N -1 1 371.343 2.760 20 10 FFCDMM CN1C(=O)COc2cc(NC(=O)NCc3cccc(Cl)c3[O-])ccc21 ZINC001476498466 1061421867 /nfs/dbraw/zinc/42/18/67/1061421867.db2.gz CHJQGWKNKVWHGH-UHFFFAOYSA-N -1 1 361.785 2.723 20 10 FFCDMM CC(C)(C)OC(=O)[C@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001471232170 1064607406 /nfs/dbraw/zinc/60/74/06/1064607406.db2.gz KOAMYYQMEIYNFP-HAQNSBGRSA-N -1 1 354.834 2.965 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC001471337301 1064646409 /nfs/dbraw/zinc/64/64/09/1064646409.db2.gz XEOFVNPDZFNLMZ-UHFFFAOYSA-N -1 1 364.453 2.935 20 10 FFCDMM C[C@@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccncc1Br ZINC001559029376 1076117735 /nfs/dbraw/zinc/11/77/35/1076117735.db2.gz BAXJNQRDDPVCFY-SSDOTTSWSA-N -1 1 355.163 2.885 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000368958098 512156478 /nfs/dbraw/zinc/15/64/78/512156478.db2.gz WVBCVDUYUJGQPC-GOEBONIOSA-N -1 1 351.830 2.818 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccco3)CC2)c1[O-] ZINC000177254451 509961885 /nfs/dbraw/zinc/96/18/85/509961885.db2.gz OABSJVZVVWZFCY-UHFFFAOYSA-N -1 1 362.813 2.799 20 10 FFCDMM Cn1ccnc1[C@@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)CO ZINC000295143731 511297892 /nfs/dbraw/zinc/29/78/92/511297892.db2.gz ZZQFUCUWKGMNNP-CQSZACIVSA-N -1 1 368.821 2.537 20 10 FFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000520411430 517383617 /nfs/dbraw/zinc/38/36/17/517383617.db2.gz WELDMLXLCJWVDN-UHFFFAOYSA-N -1 1 370.453 2.893 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1C1CCCCC1 ZINC000823504480 599310338 /nfs/dbraw/zinc/31/03/38/599310338.db2.gz QQOKHQHNCJRRBU-WQLSENKSSA-N -1 1 361.452 2.994 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1C1CCCCC1 ZINC000823504480 599310340 /nfs/dbraw/zinc/31/03/40/599310340.db2.gz QQOKHQHNCJRRBU-WQLSENKSSA-N -1 1 361.452 2.994 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)cc1 ZINC000739794417 600316060 /nfs/dbraw/zinc/31/60/60/600316060.db2.gz ZBOXALPIAVHHFT-INIZCTEOSA-N -1 1 353.777 2.805 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)cc1 ZINC000739794417 600316061 /nfs/dbraw/zinc/31/60/61/600316061.db2.gz ZBOXALPIAVHHFT-INIZCTEOSA-N -1 1 353.777 2.805 20 10 FFCDMM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1 ZINC000194657902 729517096 /nfs/dbraw/zinc/51/70/96/729517096.db2.gz RQBZNXYPXVDZAG-UHFFFAOYSA-N -1 1 354.815 2.548 20 10 FFCDMM CO[C@@H](C[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-])C1CC1 ZINC000864516467 730855684 /nfs/dbraw/zinc/85/56/84/730855684.db2.gz NNYCLKMHRJPBOO-JSGCOSHPSA-N -1 1 358.232 2.513 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2C[C@]3(C)CS(=O)(=O)C[C@]3(C)C2)c1[O-] ZINC000880016417 732821085 /nfs/dbraw/zinc/82/10/85/732821085.db2.gz PBWCPUIGTPEMAF-CALCHBBNSA-N -1 1 371.886 2.505 20 10 FFCDMM CC[C@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757894 734336384 /nfs/dbraw/zinc/33/63/84/734336384.db2.gz MFDQIAKQSJBDCU-GWCFXTLKSA-N -1 1 356.875 2.609 20 10 FFCDMM Cc1cc(Br)cn2c(C=C3SC(=S)[N-]C3=O)cnc12 ZINC000783696075 738827626 /nfs/dbraw/zinc/82/76/26/738827626.db2.gz DPJIZIBVPUOHQK-OQFOIZHKSA-N -1 1 354.254 2.894 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC2(CCOCC2)O1 ZINC000896710551 735180969 /nfs/dbraw/zinc/18/09/69/735180969.db2.gz FPZQGIQLWJZMPS-ZDUSSCGKSA-N -1 1 354.834 2.573 20 10 FFCDMM C[C@H]1CN(c2ccc(C[N-]C(=O)C(F)(F)C(F)F)cc2F)C[C@H](C)O1 ZINC000749354764 735716601 /nfs/dbraw/zinc/71/66/01/735716601.db2.gz XGTKDZVODKQPAV-UWVGGRQHSA-N -1 1 366.330 2.956 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncc(Br)cn2)c1 ZINC000903320313 736074858 /nfs/dbraw/zinc/07/48/58/736074858.db2.gz FEEQDJABSDYKQV-VIFPVBQESA-N -1 1 366.215 2.582 20 10 FFCDMM O=C([O-])N[C@@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C12CCC2 ZINC000904238818 736237276 /nfs/dbraw/zinc/23/72/76/736237276.db2.gz FPCSXZJCKREKKG-CHWSQXEVSA-N -1 1 355.232 2.823 20 10 FFCDMM COC(=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765731130 737150345 /nfs/dbraw/zinc/15/03/45/737150345.db2.gz GZPCNOKADLALRG-UHFFFAOYSA-N -1 1 364.195 2.871 20 10 FFCDMM CC1(C)OCC(C)(C(=O)NCc2cccc(Br)c2[O-])CO1 ZINC000765747554 737153223 /nfs/dbraw/zinc/15/32/23/737153223.db2.gz PMPODWSIDYVUKH-UHFFFAOYSA-N -1 1 358.232 2.560 20 10 FFCDMM COc1cc(C(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC000765769242 737157081 /nfs/dbraw/zinc/15/70/81/737157081.db2.gz KSRBBRMVIUGMOS-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)c(C)c1F ZINC000766047014 737186582 /nfs/dbraw/zinc/18/65/82/737186582.db2.gz AYHDODVJTWAZKC-UHFFFAOYSA-N -1 1 353.371 2.852 20 10 FFCDMM O=C([O-])[C@@H]1CO[C@H](CCC(=O)NCc2cc(Cl)cc(Cl)c2O)C1 ZINC000911744148 737229603 /nfs/dbraw/zinc/22/96/03/737229603.db2.gz LPECZXSMIFRXBB-GXSJLCMTSA-N -1 1 362.209 2.585 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@@H](C)c2cccc(Cl)c2)C(=O)[N-]C1=S ZINC000920980366 737937861 /nfs/dbraw/zinc/93/78/61/737937861.db2.gz KSMDGRFSPWLAMM-KYJZABPNSA-N -1 1 365.886 2.774 20 10 FFCDMM C[C@H]1OCC[C@]12C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932274 739515616 /nfs/dbraw/zinc/51/56/16/739515616.db2.gz NFIJIWYVKZLOJY-HSMVNMDESA-N -1 1 356.260 2.923 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2ccc(OC)c3ncccc23)ccc1O ZINC000797819728 740275922 /nfs/dbraw/zinc/27/59/22/740275922.db2.gz PQFYDXSLDBHMSZ-UHFFFAOYSA-N -1 1 360.391 2.758 20 10 FFCDMM COC[C@]1(C(=O)OC)CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000827487954 743587823 /nfs/dbraw/zinc/58/78/23/743587823.db2.gz AOAMNDUETHIHKZ-INIZCTEOSA-N -1 1 372.259 2.617 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@H](C)NCc2nn(C)cc2Br)c1 ZINC000834884869 745918723 /nfs/dbraw/zinc/91/87/23/745918723.db2.gz PZXDUOTWIFRJOP-VIFPVBQESA-N -1 1 368.231 2.526 20 10 FFCDMM CCO[C@@H]1CCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000836667105 746279389 /nfs/dbraw/zinc/27/93/89/746279389.db2.gz WTTWAYIPLHKWID-CHWSQXEVSA-N -1 1 357.248 2.912 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2c2ccnn2C)c1 ZINC000846116299 748410709 /nfs/dbraw/zinc/41/07/09/748410709.db2.gz RZCXTTXEXVBTEJ-HNNXBMFYSA-N -1 1 366.259 2.770 20 10 FFCDMM COc1cc(C)cc(C[N@H+]2CC[C@@H](C)[C@@H](NC(=O)C(F)(F)F)C2)c1O ZINC000853622411 750117117 /nfs/dbraw/zinc/11/71/17/750117117.db2.gz XNGTXXFGHNIMRZ-YPMHNXCESA-N -1 1 360.376 2.598 20 10 FFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc4ncnn4c3)c([O-])cc21 ZINC001174375116 1013188944 /nfs/dbraw/zinc/18/89/44/1013188944.db2.gz JZDKEOLHKIPRDG-UHFFFAOYSA-N -1 1 356.341 2.954 20 10 FFCDMM O=C(Cc1ccccc1)N1CCC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757923 960315731 /nfs/dbraw/zinc/31/57/31/960315731.db2.gz NEDJJJUPHVDVTH-KRWDZBQOSA-N -1 1 372.852 2.896 20 10 FFCDMM CN(C)c1ncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001176332035 1013677677 /nfs/dbraw/zinc/67/76/77/1013677677.db2.gz JAZZCHBGGSSDHR-UHFFFAOYSA-N -1 1 360.373 2.767 20 10 FFCDMM Cc1cc(C(=O)NCc2n[n-]c(=S)n2C)c(C)n1-c1ccc(C#N)cc1 ZINC000066625818 969468922 /nfs/dbraw/zinc/46/89/22/969468922.db2.gz AKJQCVVJUNNWAC-UHFFFAOYSA-N -1 1 366.450 2.687 20 10 FFCDMM COc1ccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CCO2)cc1 ZINC000877757002 1014714422 /nfs/dbraw/zinc/71/44/22/1014714422.db2.gz FUVPIWSOLPZIPS-KRWDZBQOSA-N -1 1 374.393 2.891 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000910557456 981996548 /nfs/dbraw/zinc/99/65/48/981996548.db2.gz BBCGKINUMOXYGU-ZDUSSCGKSA-N -1 1 354.454 2.795 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cccc4[nH]ccc43)no2)c1 ZINC000761664533 987694280 /nfs/dbraw/zinc/69/42/80/987694280.db2.gz UGJUESLJUXGPDV-UHFFFAOYSA-N -1 1 370.390 2.962 20 10 FFCDMM CCc1nc(C2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001597662987 988740002 /nfs/dbraw/zinc/74/00/02/988740002.db2.gz IBECAJDCQJPONB-GQCTYLIASA-N -1 1 371.397 2.757 20 10 FFCDMM CCc1nnc(C2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)[nH]1 ZINC001597662987 988740005 /nfs/dbraw/zinc/74/00/05/988740005.db2.gz IBECAJDCQJPONB-GQCTYLIASA-N -1 1 371.397 2.757 20 10 FFCDMM C[C@H](NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298502 994715820 /nfs/dbraw/zinc/71/58/20/994715820.db2.gz JXFMMHGAEWLGHN-ZFWWWQNUSA-N -1 1 371.437 2.530 20 10 FFCDMM COc1c([O-])c(C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)ccc1[N+](=O)[O-] ZINC001599345774 998003703 /nfs/dbraw/zinc/00/37/03/998003703.db2.gz PDZNTBIFIJNQLU-UHFFFAOYSA-N -1 1 358.350 2.566 20 10 FFCDMM O=C1CCC[C@@]2(CCCN(Cc3cc(Br)c(F)cc3[O-])C2)N1 ZINC001144301720 998296930 /nfs/dbraw/zinc/29/69/30/998296930.db2.gz TWBHQGHFJJIYKC-INIZCTEOSA-N -1 1 371.250 2.929 20 10 FFCDMM CN(c1c(Cl)ccc([O-])c1F)S(=O)(=O)CCc1ccc(N)cc1 ZINC001214561698 1000054767 /nfs/dbraw/zinc/05/47/67/1000054767.db2.gz ZJGXKXYCHIFTCJ-UHFFFAOYSA-N -1 1 358.822 2.776 20 10 FFCDMM COc1c([O-])c(CN(CC(=O)OC(C)(C)C)CC2CC2)ccc1[N+](=O)[O-] ZINC000846053830 1000198165 /nfs/dbraw/zinc/19/81/65/1000198165.db2.gz WRTNCKAWACVMDX-UHFFFAOYSA-N -1 1 366.414 2.863 20 10 FFCDMM C[C@H]1C[C@@H](c2ccccc2F)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250346 1000244511 /nfs/dbraw/zinc/24/45/11/1000244511.db2.gz ZHZLRJCNRHPSNN-ZBEGNZNMSA-N -1 1 370.384 2.855 20 10 FFCDMM Cc1c(F)c(C)c(F)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1F ZINC001148763308 1001207782 /nfs/dbraw/zinc/20/77/82/1001207782.db2.gz KPDKKQFQICXJPQ-UHFFFAOYSA-N -1 1 353.296 2.745 20 10 FFCDMM O=C(CNc1ccc(=O)n(Cc2ccc(F)cc2)c1)c1ccc([O-])c(O)c1 ZINC001170320443 1003108837 /nfs/dbraw/zinc/10/88/37/1003108837.db2.gz ALOXAJVOHQUKLI-UHFFFAOYSA-N -1 1 368.364 2.742 20 10 FFCDMM COc1nc(NCC(=O)c2ccc([O-])c(O)c2)ccc1Br ZINC001170322967 1003112111 /nfs/dbraw/zinc/11/21/11/1003112111.db2.gz QBFPUZCZQCYTAT-UHFFFAOYSA-N -1 1 353.172 2.559 20 10 FFCDMM Cc1nc2ccccc2c(C)c1CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186279102 1003257233 /nfs/dbraw/zinc/25/72/33/1003257233.db2.gz FRSWSAMFRTZOJY-UHFFFAOYSA-N -1 1 364.401 2.804 20 10 FFCDMM O=C(CNC(=O)c1ccc(Oc2ccccc2)nc1)c1ccc([O-])c(O)c1 ZINC001192083354 1004042136 /nfs/dbraw/zinc/04/21/36/1004042136.db2.gz IVPYXMSCVGENPT-UHFFFAOYSA-N -1 1 364.357 2.898 20 10 FFCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cccc(N(C)C)c3)c2)o1 ZINC001192272827 1004112177 /nfs/dbraw/zinc/11/21/77/1004112177.db2.gz BGPBPCACSQTIDC-UHFFFAOYSA-N -1 1 358.423 2.912 20 10 FFCDMM C=CS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccn1 ZINC001198609538 1004679375 /nfs/dbraw/zinc/67/93/75/1004679375.db2.gz FJTSYCOENDUYLI-UHFFFAOYSA-N -1 1 367.224 2.960 20 10 FFCDMM COc1nc(Cl)ccc1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001198693514 1004699495 /nfs/dbraw/zinc/69/94/95/1004699495.db2.gz QCRNZXYSGJXITB-UHFFFAOYSA-N -1 1 350.730 2.528 20 10 FFCDMM COC(=O)[C@H](CC1CCCCC1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775119485 1006088963 /nfs/dbraw/zinc/08/89/63/1006088963.db2.gz SFSSDGVKQPMWPM-AWEZNQCLSA-N -1 1 366.414 2.911 20 10 FFCDMM O=C(CNC(=O)c1nc(Cl)ccc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001188773883 1006727686 /nfs/dbraw/zinc/72/76/86/1006727686.db2.gz MWWLPTZNLROMRC-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM O=C(CNC(=O)c1cccc(Oc2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001191146769 1007902725 /nfs/dbraw/zinc/90/27/25/1007902725.db2.gz PEPGSYPHRHFHQX-UHFFFAOYSA-N -1 1 364.357 2.898 20 10 FFCDMM CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409861 1009684542 /nfs/dbraw/zinc/68/45/42/1009684542.db2.gz HDTDWJMBBRIZIV-RCGFYWBFSA-N -1 1 368.886 2.920 20 10 FFCDMM COCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001275229128 1012109526 /nfs/dbraw/zinc/10/95/26/1012109526.db2.gz IRJKVFZTTNELSW-IBGZPJMESA-N -1 1 368.424 2.664 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC1(C)C ZINC000900403234 1020404406 /nfs/dbraw/zinc/40/44/06/1020404406.db2.gz QUPBYLHTSKGFPS-GFCCVEGCSA-N -1 1 368.405 2.612 20 10 FFCDMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C2 ZINC000900835080 1020673478 /nfs/dbraw/zinc/67/34/78/1020673478.db2.gz RUNMAMAHMHFDAS-JLLWLGSASA-N -1 1 366.389 2.507 20 10 FFCDMM CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1Cc1c([O-])cccc1F ZINC001137834570 1033168507 /nfs/dbraw/zinc/16/85/07/1033168507.db2.gz LKQQPOVBCXFERG-KRWDZBQOSA-N -1 1 360.433 2.544 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(=O)n(-c2ccccc2F)n1 ZINC001159041463 1027242905 /nfs/dbraw/zinc/24/29/05/1027242905.db2.gz OCTJEGSSMPOTEG-UHFFFAOYSA-N -1 1 373.771 2.661 20 10 FFCDMM Cc1ccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c2[nH]ncc21 ZINC001155228454 1028635513 /nfs/dbraw/zinc/63/55/13/1028635513.db2.gz QOWAKPPQKIHBPK-UHFFFAOYSA-N -1 1 351.318 2.641 20 10 FFCDMM O=C(Nc1ccccc1-n1cccn1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155228641 1028635579 /nfs/dbraw/zinc/63/55/79/1028635579.db2.gz VGJBNICIHCTLND-UHFFFAOYSA-N -1 1 363.329 2.642 20 10 FFCDMM Cc1noc2ccc(CNC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cc12 ZINC001155234650 1028639681 /nfs/dbraw/zinc/63/96/81/1028639681.db2.gz QXFARXIWJOYJLQ-UHFFFAOYSA-N -1 1 366.329 2.584 20 10 FFCDMM CSc1nc(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc(=O)[n-]1 ZINC001163576952 1028976670 /nfs/dbraw/zinc/97/66/70/1028976670.db2.gz GOCZDWZSOKKTHN-UHFFFAOYSA-N -1 1 369.450 2.637 20 10 FFCDMM CN(Cc1cn2c(n1)CN(Cc1cccc(F)c1[O-])CC2)Cc1ccco1 ZINC001138126522 1033807395 /nfs/dbraw/zinc/80/73/95/1033807395.db2.gz COZCIHZLBNCZKJ-UHFFFAOYSA-N -1 1 370.428 2.969 20 10 FFCDMM COc1ccnc(O[C@@H]2CCCN(Cc3c(F)ccc(F)c3[O-])C2)n1 ZINC001139690324 1035198798 /nfs/dbraw/zinc/19/87/98/1035198798.db2.gz UJJBDLXXCAKDSC-LLVKDONJSA-N -1 1 351.353 2.512 20 10 FFCDMM CC(C)(C)OC(=O)N1CC2(C1)COCCN2Cc1ccc(Cl)cc1[O-] ZINC001140462881 1035484692 /nfs/dbraw/zinc/48/46/92/1035484692.db2.gz NFUIWDMMFDBJIT-UHFFFAOYSA-N -1 1 368.861 2.867 20 10 FFCDMM [O-]c1cc(O)c(CN2CCCn3c(Cn4cccc4)nnc3C2)cc1Cl ZINC001232259747 1035532321 /nfs/dbraw/zinc/53/23/21/1035532321.db2.gz IMNYAPVVKBWYGR-UHFFFAOYSA-N -1 1 373.844 2.598 20 10 FFCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCO[C@@H]4C[C@@H]43)c2)nc1C ZINC001232453376 1035696521 /nfs/dbraw/zinc/69/65/21/1035696521.db2.gz ADRJLYLFBFUZSZ-GOEBONIOSA-N -1 1 374.462 2.974 20 10 FFCDMM CC1=C[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)CC(=O)O1 ZINC001228116277 1035944416 /nfs/dbraw/zinc/94/44/16/1035944416.db2.gz XADBOAOZXUENDG-CYBMUJFWSA-N -1 1 356.330 2.633 20 10 FFCDMM CN1C(=O)CC[C@@H]2C[N@H+](Cc3c([O-])cc(Br)cc3F)CC[C@H]21 ZINC001233033944 1036275371 /nfs/dbraw/zinc/27/53/71/1036275371.db2.gz YWDAKUXNRVSMOU-QMTHXVAHSA-N -1 1 371.250 2.737 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCO[C@H]2[C@@H](Oc3cccnc3)CC[C@@H]21 ZINC001233333208 1036539265 /nfs/dbraw/zinc/53/92/65/1036539265.db2.gz NVJATBDSMWLIFW-VDZJLULYSA-N -1 1 362.376 2.876 20 10 FFCDMM C[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1cncnc1 ZINC001229198007 1036549094 /nfs/dbraw/zinc/54/90/94/1036549094.db2.gz SXRRYJNNPNSPCD-SNVBAGLBSA-N -1 1 362.341 2.803 20 10 FFCDMM CCOC(=O)c1ncn2c1CN(Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001233416462 1036611100 /nfs/dbraw/zinc/61/11/00/1036611100.db2.gz IWDBDCRDKUJLLE-UHFFFAOYSA-N -1 1 369.343 2.800 20 10 FFCDMM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277387104 1036670669 /nfs/dbraw/zinc/67/06/69/1036670669.db2.gz FSGCXRABBORBTD-UHNFBRDESA-N -1 1 368.836 2.728 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](n2cncn2)C1 ZINC001235303269 1037464834 /nfs/dbraw/zinc/46/48/34/1037464834.db2.gz MRURZHBSSSJVNU-LBPRGKRZSA-N -1 1 355.211 2.722 20 10 FFCDMM NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454889 1037598320 /nfs/dbraw/zinc/59/83/20/1037598320.db2.gz JZEOIORHDVOJAT-PKOBYXMFSA-N -1 1 368.433 2.714 20 10 FFCDMM NC(=O)[C@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454889 1037598324 /nfs/dbraw/zinc/59/83/24/1037598324.db2.gz JZEOIORHDVOJAT-PKOBYXMFSA-N -1 1 368.433 2.714 20 10 FFCDMM CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231566182 1037690023 /nfs/dbraw/zinc/69/00/23/1037690023.db2.gz TVMIXXPDTKTQNW-HNNXBMFYSA-N -1 1 364.442 2.922 20 10 FFCDMM CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231566182 1037690025 /nfs/dbraw/zinc/69/00/25/1037690025.db2.gz TVMIXXPDTKTQNW-HNNXBMFYSA-N -1 1 364.442 2.922 20 10 FFCDMM CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231566182 1037690031 /nfs/dbraw/zinc/69/00/31/1037690031.db2.gz TVMIXXPDTKTQNW-HNNXBMFYSA-N -1 1 364.442 2.922 20 10 FFCDMM COc1cc(N2CCN(Cc3c([O-])ccc(Cl)c3Cl)CC2)ncn1 ZINC001237085045 1038439683 /nfs/dbraw/zinc/43/96/83/1038439683.db2.gz STIUWLXVZWJHGL-UHFFFAOYSA-N -1 1 369.252 2.820 20 10 FFCDMM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001237083375 1038439747 /nfs/dbraw/zinc/43/97/47/1038439747.db2.gz CLTMQWWGFYOXSM-JGPRNRPPSA-N -1 1 360.237 2.851 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCn2c(COCC3CC3)nnc2C1 ZINC001237120368 1038448657 /nfs/dbraw/zinc/44/86/57/1038448657.db2.gz CWQLAIMGQVTIBP-UHFFFAOYSA-N -1 1 366.824 2.719 20 10 FFCDMM O=S(=O)(Nc1cccc(O)c1O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251419281 1039122300 /nfs/dbraw/zinc/12/23/00/1039122300.db2.gz YEZOPKYIEJESGE-UHFFFAOYSA-N -1 1 350.179 2.911 20 10 FFCDMM CCCCS(=O)(=O)[N-]c1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001253864797 1040422386 /nfs/dbraw/zinc/42/23/86/1040422386.db2.gz ZUKYPPYOYMBLNK-UHFFFAOYSA-N -1 1 359.403 2.709 20 10 FFCDMM O=S(=O)([N-]c1ccc(CO)cc1Cl)c1cccc2nsnc21 ZINC001260389075 1040571058 /nfs/dbraw/zinc/57/10/58/1040571058.db2.gz QGQUEAGEPGIYJT-UHFFFAOYSA-N -1 1 355.828 2.638 20 10 FFCDMM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)[N@@H+](Cc1c([O-])ccc(F)c1F)C2 ZINC001279488175 1043173259 /nfs/dbraw/zinc/17/32/59/1043173259.db2.gz GANXKAMDLWLCSA-KGLIPLIRSA-N -1 1 362.424 2.593 20 10 FFCDMM CCN(C(=O)C12CC(NC(=O)c3ccc(O)c([O-])c3Cl)(C1)C2)C(C)C ZINC001279508957 1043203905 /nfs/dbraw/zinc/20/39/05/1043203905.db2.gz SNHLHUFMNUMUKK-UHFFFAOYSA-N -1 1 366.845 2.661 20 10 FFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CC2(CN(Cc3cn[nH]c3)C2)C1 ZINC001279674104 1043445183 /nfs/dbraw/zinc/44/51/83/1043445183.db2.gz DFVIQJPIEUEBOL-UHFFFAOYSA-N -1 1 353.253 2.740 20 10 FFCDMM CCOC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2nnn(CC)c21 ZINC001237939468 1043446570 /nfs/dbraw/zinc/44/65/70/1043446570.db2.gz WQUSZFYVGQTNSS-GFCCVEGCSA-N -1 1 368.840 2.932 20 10 FFCDMM COc1cccc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)n1 ZINC001237950414 1043452923 /nfs/dbraw/zinc/45/29/23/1043452923.db2.gz STSAPMPFEWGSPK-UHFFFAOYSA-N -1 1 351.809 2.911 20 10 FFCDMM CN(C)C(=O)C[C@H]1C[C@@H]2CN(Cc3cc(Cl)cc(Cl)c3[O-])C[C@@H]2O1 ZINC001279976378 1044020582 /nfs/dbraw/zinc/02/05/82/1044020582.db2.gz UHCSIHQOBRAMAD-YVLXSGLVSA-N -1 1 373.280 2.767 20 10 FFCDMM CC(C)(C)NC(=O)[C@H]1CCN(Cc2c([O-])cccc2F)Cc2ccnn21 ZINC001280007146 1044077403 /nfs/dbraw/zinc/07/74/03/1044077403.db2.gz ZZKZFSDFKATUPU-MRXNPFEDSA-N -1 1 360.433 2.590 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnn(C[C@H]2CCCO2)c1 ZINC001333425776 1048898354 /nfs/dbraw/zinc/89/83/54/1048898354.db2.gz ZFOLNWHFIXMSOG-CYBMUJFWSA-N -1 1 350.806 2.743 20 10 FFCDMM COc1ccccc1[C@H](O)C(=O)NCc1cccc(Br)c1[O-] ZINC001297440477 1050168372 /nfs/dbraw/zinc/16/83/72/1050168372.db2.gz NDCLGLLCWGCNMA-HNNXBMFYSA-N -1 1 366.211 2.513 20 10 FFCDMM COC(=O)c1oc(C(=O)NCc2cccc(Br)c2[O-])cc1C ZINC001448964443 1058845103 /nfs/dbraw/zinc/84/51/03/1058845103.db2.gz REBPRTRZOZSBGU-UHFFFAOYSA-N -1 1 368.183 2.773 20 10 FFCDMM CC(=O)Nc1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])ccc1C ZINC001475773904 1061266891 /nfs/dbraw/zinc/26/68/91/1061266891.db2.gz JRLCOINJPSQDEB-UHFFFAOYSA-N -1 1 368.842 2.791 20 10 FFCDMM CN1C(=O)COc2ccc(NC(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001465715615 1063189373 /nfs/dbraw/zinc/18/93/73/1063189373.db2.gz STZQIYLLJMYGJK-UHFFFAOYSA-N -1 1 361.785 2.723 20 10 FFCDMM O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc(F)c([O-])c1 ZINC001468820437 1064043318 /nfs/dbraw/zinc/04/33/18/1064043318.db2.gz YUEPRPCXAAGGEC-UHFFFAOYSA-N -1 1 366.339 2.576 20 10 FFCDMM O=C(C=CC(=O)Nc1ccc2n[nH]cc2c1)NCc1cccc(Cl)c1[O-] ZINC001472317140 1065012096 /nfs/dbraw/zinc/01/20/96/1065012096.db2.gz XBPMAWPLIFVLDR-VOTSOKGWSA-N -1 1 370.796 2.733 20 10 FFCDMM CC(C)Nc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001584804703 1079391101 /nfs/dbraw/zinc/39/11/01/1079391101.db2.gz ICSGIZUBNQIEOM-UHFFFAOYSA-N -1 1 363.439 2.836 20 10 FFCDMM COc1ncc(Br)cc1CNCc1cc([N+](=O)[O-])ccc1[O-] ZINC001560534984 1076278058 /nfs/dbraw/zinc/27/80/58/1076278058.db2.gz BDURIXKZHNJRII-UHFFFAOYSA-N -1 1 368.187 2.756 20 10 FFCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(F)c([O-])c1 ZINC001565986369 1076830864 /nfs/dbraw/zinc/83/08/64/1076830864.db2.gz XCKOPUIGZQHVCO-UHFFFAOYSA-N -1 1 358.413 2.670 20 10 FFCDMM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc([O-])cc1F ZINC001566848927 1076985636 /nfs/dbraw/zinc/98/56/36/1076985636.db2.gz DBHUJDDJLKQXHO-UHFFFAOYSA-N -1 1 367.760 2.706 20 10 FFCDMM Cc1cc(C(=O)N2CCC(c3nn[n-]n3)CC2)c(C)n1-c1cccc(C)c1 ZINC001587870044 1079882619 /nfs/dbraw/zinc/88/26/19/1079882619.db2.gz OAACFRGHNZUBFL-UHFFFAOYSA-N -1 1 364.453 2.935 20 10 FFCDMM C[C@H](Nc1cccc(N2CCCC2=O)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589985549 1080922621 /nfs/dbraw/zinc/92/26/21/1080922621.db2.gz LNTBUXXKBRLWCH-LBPRGKRZSA-N -1 1 364.409 2.872 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)c3ccccn3)CC2)c1[O-] ZINC000177018957 509822885 /nfs/dbraw/zinc/82/28/85/509822885.db2.gz PRVVYMCSDIQCGL-UHFFFAOYSA-N -1 1 373.840 2.601 20 10 FFCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000186800967 509902128 /nfs/dbraw/zinc/90/21/28/509902128.db2.gz RVZIJCKSCXOYHX-UHFFFAOYSA-N -1 1 370.409 2.958 20 10 FFCDMM O=C(NCc1ccc(N2CCCC2)cc1)c1ccc2n[n-]c(=S)n2c1 ZINC000282883091 511147663 /nfs/dbraw/zinc/14/76/63/511147663.db2.gz BKDMRCSMPWIRFX-UHFFFAOYSA-N -1 1 353.451 2.548 20 10 FFCDMM C[C@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000295314529 511360067 /nfs/dbraw/zinc/36/00/67/511360067.db2.gz WAGYUNRXPJSHPG-QWRGUYRKSA-N -1 1 368.405 2.755 20 10 FFCDMM CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272363 511680286 /nfs/dbraw/zinc/68/02/86/511680286.db2.gz DRCAUXREHWIUGH-YYUOZPCZSA-N -1 1 373.902 2.883 20 10 FFCDMM COC(=O)c1cn([C@@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000363905689 511843047 /nfs/dbraw/zinc/84/30/47/511843047.db2.gz DZVRESMLKWTRIA-LLVKDONJSA-N -1 1 371.224 2.524 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372957601 513114809 /nfs/dbraw/zinc/11/48/09/513114809.db2.gz ZZCHZEUHSWMURO-MRXNPFEDSA-N -1 1 360.366 2.588 20 10 FFCDMM O=C([O-])C[N@H+](CC[S@](=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739793605 600315962 /nfs/dbraw/zinc/31/59/62/600315962.db2.gz IDZRFTGKCLLQBB-DEOSSOPVSA-N -1 1 367.854 2.740 20 10 FFCDMM O=C([O-])C[N@@H+](CC[S@](=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739793605 600315965 /nfs/dbraw/zinc/31/59/65/600315965.db2.gz IDZRFTGKCLLQBB-DEOSSOPVSA-N -1 1 367.854 2.740 20 10 FFCDMM Cc1nc([C@@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000832996763 602138590 /nfs/dbraw/zinc/13/85/90/602138590.db2.gz DVMIYJIFRHKUQC-VUDGCMKMSA-N -1 1 357.370 2.503 20 10 FFCDMM Cc1nnc([C@@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000832996763 602138592 /nfs/dbraw/zinc/13/85/92/602138592.db2.gz DVMIYJIFRHKUQC-VUDGCMKMSA-N -1 1 357.370 2.503 20 10 FFCDMM C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCN(C(=O)[O-])C1 ZINC000828345379 603593464 /nfs/dbraw/zinc/59/34/64/603593464.db2.gz BCAHPZPPWKGFJQ-AWEZNQCLSA-N -1 1 370.405 2.513 20 10 FFCDMM Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(C)n1-c1ccccc1C ZINC000833752922 605025055 /nfs/dbraw/zinc/02/50/55/605025055.db2.gz FKIPKSIOEPKTEX-KRWDZBQOSA-N -1 1 366.421 2.551 20 10 FFCDMM Cc1cc(Br)cc(C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)c1O ZINC000833898532 605989261 /nfs/dbraw/zinc/98/92/61/605989261.db2.gz VJIXWSSGLVXYFV-NSHDSACASA-N -1 1 357.248 2.943 20 10 FFCDMM Fc1ccc2c(C3=CCN(c4ccc(-c5nnn[n-]5)nn4)CC3)c[nH]c2c1 ZINC000826375898 608400454 /nfs/dbraw/zinc/40/04/54/608400454.db2.gz GOEGQKUPNZYQMA-UHFFFAOYSA-N -1 1 362.372 2.571 20 10 FFCDMM Fc1ccc2c(C3=CCN(c4ccc(-c5nn[n-]n5)nn4)CC3)c[nH]c2c1 ZINC000826375898 608400457 /nfs/dbraw/zinc/40/04/57/608400457.db2.gz GOEGQKUPNZYQMA-UHFFFAOYSA-N -1 1 362.372 2.571 20 10 FFCDMM Cn1c2ccccc2n2c(SCC(=O)c3ccc([O-])c(O)c3)nnc12 ZINC000080305439 728325597 /nfs/dbraw/zinc/32/55/97/728325597.db2.gz KNECSEUVQPCDSP-UHFFFAOYSA-N -1 1 354.391 2.607 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(Cl)c(F)c2)c1 ZINC000094015655 728479177 /nfs/dbraw/zinc/47/91/77/728479177.db2.gz FHIITZORYNEWTH-UHFFFAOYSA-N -1 1 358.778 2.809 20 10 FFCDMM Cc1ccc2c(c1)N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CCC2 ZINC000179560217 729188715 /nfs/dbraw/zinc/18/87/15/729188715.db2.gz CYDGYTNKHKCELF-UHFFFAOYSA-N -1 1 360.435 2.665 20 10 FFCDMM N#Cc1ccc(C(=O)NCc2ccc(N3CCSCC3)cc2)cc1[O-] ZINC000190733054 729410524 /nfs/dbraw/zinc/41/05/24/729410524.db2.gz MKELJKPPYRBNHF-UHFFFAOYSA-N -1 1 353.447 2.747 20 10 FFCDMM O=C([O-])c1ccc2c(C=C3SC(N4CCCCC4)=NC3=O)[nH]nc2c1 ZINC000765499237 737125329 /nfs/dbraw/zinc/12/53/29/737125329.db2.gz CNNPFEQNVFCBIC-ZROIWOOFSA-N -1 1 356.407 2.717 20 10 FFCDMM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(O)cc2)c(F)c(Cl)c1F ZINC000779824886 738487593 /nfs/dbraw/zinc/48/75/93/738487593.db2.gz HZBRPHZUYWQUQE-UHFFFAOYSA-N -1 1 363.725 2.823 20 10 FFCDMM O=C(Cc1cnn2c1CCCC2)NCc1cccc(Br)c1[O-] ZINC000867830815 731231563 /nfs/dbraw/zinc/23/15/63/731231563.db2.gz JOGYMLGKFBVSEB-UHFFFAOYSA-N -1 1 364.243 2.546 20 10 FFCDMM CCO[C@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000867831316 731231609 /nfs/dbraw/zinc/23/16/09/731231609.db2.gz UTDFYTXNCFWGIM-FZMZJTMJSA-N -1 1 372.259 2.603 20 10 FFCDMM CCOC1CC2(C[C@@H]2NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000873275795 731896532 /nfs/dbraw/zinc/89/65/32/731896532.db2.gz JTUDBCONMFMKIG-ULKWEWGCSA-N -1 1 369.259 2.912 20 10 FFCDMM Cc1nc([C@H]2COCCN2Cc2cc(C)cc(Br)c2[O-])no1 ZINC000781920523 738673099 /nfs/dbraw/zinc/67/30/99/738673099.db2.gz NCNSXZXPSGFDOJ-CYBMUJFWSA-N -1 1 368.231 2.728 20 10 FFCDMM O=C(COC(=O)c1cccnc1SC(F)F)c1ccc([O-])c(O)c1 ZINC000782096746 738688513 /nfs/dbraw/zinc/68/85/13/738688513.db2.gz FLCJDHASZGBCDS-UHFFFAOYSA-N -1 1 355.318 2.847 20 10 FFCDMM CC[C@@H](CO)NC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883142673 733341857 /nfs/dbraw/zinc/34/18/57/733341857.db2.gz QXBFGMKEVDMJGJ-AWEZNQCLSA-N -1 1 350.365 2.783 20 10 FFCDMM CC(=O)Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783404868 738804301 /nfs/dbraw/zinc/80/43/01/738804301.db2.gz NPCZKCQIGFOXMU-UHFFFAOYSA-N -1 1 363.753 2.749 20 10 FFCDMM CO[C@@H](C)c1cccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000726986087 734458288 /nfs/dbraw/zinc/45/82/88/734458288.db2.gz KTUSKAXZZYPBDC-NSHDSACASA-N -1 1 364.423 2.723 20 10 FFCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@H](OCCO)C1 ZINC000894016392 734787028 /nfs/dbraw/zinc/78/70/28/734787028.db2.gz DNWGLHXJFDRANT-LBPRGKRZSA-N -1 1 364.667 2.781 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1cnn(C2CCCC2)c1 ZINC000908329118 736758828 /nfs/dbraw/zinc/75/88/28/736758828.db2.gz PKZBNEOOISDFGU-UHFFFAOYSA-N -1 1 355.847 2.836 20 10 FFCDMM CN(C)c1cccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765344662 737110482 /nfs/dbraw/zinc/11/04/82/737110482.db2.gz NAWJUQAGRGQKQF-UHFFFAOYSA-N -1 1 365.231 2.937 20 10 FFCDMM O=C(CN1CCc2ccccc21)NCc1cccc(Br)c1[O-] ZINC000765737254 737151262 /nfs/dbraw/zinc/15/12/62/737151262.db2.gz SMRAOXJNDHIGHO-UHFFFAOYSA-N -1 1 361.239 2.834 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c([nH]c1=O)CCC2 ZINC000765751957 737153642 /nfs/dbraw/zinc/15/36/42/737153642.db2.gz VGZKEENJZVEQDP-UHFFFAOYSA-N -1 1 363.211 2.674 20 10 FFCDMM C[C@@H](OC[C@@H]1CCCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751595 737153699 /nfs/dbraw/zinc/15/36/99/737153699.db2.gz HFCKMIAJQJSPLZ-YPMHNXCESA-N -1 1 372.259 2.745 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2cncn2)cc1 ZINC000765769214 737157104 /nfs/dbraw/zinc/15/71/04/737157104.db2.gz JYWZRJTYISENAI-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(c2ccccc2)C2CCC2)c1 ZINC000913673327 737429916 /nfs/dbraw/zinc/42/99/16/737429916.db2.gz BOKXCXPKXQOQOS-UHFFFAOYSA-N -1 1 360.435 2.963 20 10 FFCDMM Cc1ccc(Cl)cc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920977748 737937339 /nfs/dbraw/zinc/93/73/39/737937339.db2.gz KEOHVHXCVVNFIJ-KPKJPENVSA-N -1 1 351.859 2.844 20 10 FFCDMM CCOC(=O)c1cc(F)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000778564321 738394235 /nfs/dbraw/zinc/39/42/35/738394235.db2.gz AFPXRUNEXOZZMG-UHFFFAOYSA-N -1 1 353.371 2.817 20 10 FFCDMM COCCn1nc(C)c(NC(=O)NCc2cccc(Cl)c2[O-])c1C ZINC000930673182 739145243 /nfs/dbraw/zinc/14/52/43/739145243.db2.gz RRDSWGHNHQQPRA-UHFFFAOYSA-N -1 1 352.822 2.827 20 10 FFCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1F ZINC000790416143 739450817 /nfs/dbraw/zinc/45/08/17/739450817.db2.gz SUKXELZFLDLAMT-UHFFFAOYSA-N -1 1 353.371 2.901 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)ccc1O ZINC000797819455 740276029 /nfs/dbraw/zinc/27/60/29/740276029.db2.gz JRVNJQSNCDULAJ-UHFFFAOYSA-N -1 1 356.331 2.557 20 10 FFCDMM O=C(NCCCO)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000798083705 740302733 /nfs/dbraw/zinc/30/27/33/740302733.db2.gz JIOMZIDTLZZEPS-UHFFFAOYSA-N -1 1 352.793 2.909 20 10 FFCDMM COc1cccc(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1O ZINC000805011572 740925722 /nfs/dbraw/zinc/92/57/22/740925722.db2.gz LMUSNKLHOLUIEC-UHFFFAOYSA-N -1 1 363.769 2.811 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(OC(=O)NC(C)C)C2)c1 ZINC000839142857 746786986 /nfs/dbraw/zinc/78/69/86/746786986.db2.gz FFTCYKTXTWWEIV-UHFFFAOYSA-N -1 1 357.248 2.782 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN[C@@]2(C(=O)OC(C)(C)C)CCOC2)c1[O-] ZINC000852491372 749875500 /nfs/dbraw/zinc/87/55/00/749875500.db2.gz AWKSSFRCSPKZNM-SFHVURJKSA-N -1 1 369.845 2.839 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCc3c(cccc3C(N)=O)C2)c1[O-] ZINC000852754446 749945366 /nfs/dbraw/zinc/94/53/66/749945366.db2.gz AKTCUUPPOZFNLB-UHFFFAOYSA-N -1 1 358.825 2.905 20 10 FFCDMM O=[N+]([O-])c1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000014256467 845027156 /nfs/dbraw/zinc/02/71/56/845027156.db2.gz KIJSYCIPUHFDBP-UHFFFAOYSA-N -1 1 354.344 2.539 20 10 FFCDMM CN1CCC(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)CC1 ZINC001593775372 954603351 /nfs/dbraw/zinc/60/33/51/954603351.db2.gz MCVDSUKVEGHGSB-UVTDQMKNSA-N -1 1 362.476 2.680 20 10 FFCDMM O=C(NCc1cccc(C(=O)NC2CC2)c1)NCc1cccc(Cl)c1[O-] ZINC000892094430 965972435 /nfs/dbraw/zinc/97/24/35/965972435.db2.gz IDQZDIRLDYNVKX-UHFFFAOYSA-N -1 1 373.840 2.937 20 10 FFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000766046822 989452983 /nfs/dbraw/zinc/45/29/83/989452983.db2.gz DFCFCCOSZFFLQN-UHFFFAOYSA-N -1 1 374.418 2.670 20 10 FFCDMM C[C@H]1C[C@@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000827238074 1015992453 /nfs/dbraw/zinc/99/24/53/1015992453.db2.gz FYHAWKPQSNLIGG-QWRGUYRKSA-N -1 1 368.405 2.612 20 10 FFCDMM C[C@@H]1C[C@@H](c2cccc(F)c2)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250330 1000244712 /nfs/dbraw/zinc/24/47/12/1000244712.db2.gz YVSAUXZVSCPGMK-BZNIZROVSA-N -1 1 370.384 2.855 20 10 FFCDMM O=C(NCCc1ccn(-c2ccc(F)cc2)n1)c1c(F)ccc(O)c1[O-] ZINC000789987785 1002249268 /nfs/dbraw/zinc/24/92/68/1002249268.db2.gz WHPYPFIGMXXYEI-UHFFFAOYSA-N -1 1 359.332 2.534 20 10 FFCDMM COc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2ccccc2)n1 ZINC001170317122 1003105806 /nfs/dbraw/zinc/10/58/06/1003105806.db2.gz ZRVOJVIKCODPIV-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM CCOc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)cc(C(=O)OC)n1 ZINC001193220066 1004407389 /nfs/dbraw/zinc/40/73/89/1004407389.db2.gz QAPNTECQIQPTFB-UHFFFAOYSA-N -1 1 366.757 2.584 20 10 FFCDMM CCc1noc([C@H]2CCCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)n1 ZINC001193232813 1004411850 /nfs/dbraw/zinc/41/18/50/1004411850.db2.gz QFFRFQSFYYHTQS-VIFPVBQESA-N -1 1 351.790 2.716 20 10 FFCDMM COC(=O)c1nc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc2o1 ZINC001193230260 1004429735 /nfs/dbraw/zinc/42/97/35/1004429735.db2.gz SOBQRUMTQCKKRS-UHFFFAOYSA-N -1 1 362.725 2.931 20 10 FFCDMM COC(=O)c1cc(O)c(F)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193230168 1004429901 /nfs/dbraw/zinc/42/99/01/1004429901.db2.gz QPOMUEZWMJUPDA-UHFFFAOYSA-N -1 1 355.705 2.635 20 10 FFCDMM O=C(CNC(=O)c1ccc(C(F)(F)F)c(Cl)n1)c1ccc([O-])c(O)c1 ZINC001194406711 1004724673 /nfs/dbraw/zinc/72/46/73/1004724673.db2.gz YLQGWCVPAILQBS-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM Cc1oncc1S(=O)(=O)[N-][C@@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001187422091 1006070693 /nfs/dbraw/zinc/07/06/93/1006070693.db2.gz GBWHQEIUQFMRKN-MRXNPFEDSA-N -1 1 350.440 2.907 20 10 FFCDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1O ZINC000827978223 1008030625 /nfs/dbraw/zinc/03/06/25/1008030625.db2.gz LGJWSNFSCFWQAT-LBPRGKRZSA-N -1 1 354.410 2.567 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(N2CCOCC2)cc1 ZINC000825553882 1008394582 /nfs/dbraw/zinc/39/45/82/1008394582.db2.gz FIHRBGNRXVCMPD-GFCCVEGCSA-N -1 1 360.385 2.565 20 10 FFCDMM CC[C@@H](C)N1CC[C@@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274706329 1011603957 /nfs/dbraw/zinc/60/39/57/1011603957.db2.gz NRQFRKGVCSFAJM-ADLMAVQZSA-N -1 1 366.845 2.614 20 10 FFCDMM O=C(Nc1cccnc1)c1noc2c1CN(Cc1c([O-])cccc1F)CC2 ZINC001137836056 1033174137 /nfs/dbraw/zinc/17/41/37/1033174137.db2.gz UENKNXPMYPEUFL-UHFFFAOYSA-N -1 1 368.368 2.725 20 10 FFCDMM [O-]c1cccc(F)c1CN1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001137836332 1033176571 /nfs/dbraw/zinc/17/65/71/1033176571.db2.gz ZBKINYXORVREPI-RYQLBKOJSA-N -1 1 362.376 2.876 20 10 FFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C ZINC000840556974 1027114427 /nfs/dbraw/zinc/11/44/27/1027114427.db2.gz OFXZCGFUHZOSRB-GFCCVEGCSA-N -1 1 374.510 2.948 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2c(cc1[N+](=O)[O-])OCO2 ZINC001159034592 1027241000 /nfs/dbraw/zinc/24/10/00/1027241000.db2.gz YCBFJCCAOPHAJZ-UHFFFAOYSA-N -1 1 350.714 2.613 20 10 FFCDMM Cc1[nH]nc2cc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)ccc12 ZINC001155227775 1028634882 /nfs/dbraw/zinc/63/48/82/1028634882.db2.gz FATAJEMXEVZOOM-UHFFFAOYSA-N -1 1 351.318 2.641 20 10 FFCDMM Cc1c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)ccc2c1OCCO2 ZINC001155232945 1028638467 /nfs/dbraw/zinc/63/84/67/1028638467.db2.gz YHKQYOAQXMRVQF-UHFFFAOYSA-N -1 1 369.329 2.536 20 10 FFCDMM C[C@@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1cc(F)cc(F)c1 ZINC001155233948 1028640142 /nfs/dbraw/zinc/64/01/42/1028640142.db2.gz HJEOFKHPZSJINB-MRVPVSSYSA-N -1 1 361.300 2.973 20 10 FFCDMM C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234774 1028640239 /nfs/dbraw/zinc/64/02/39/1028640239.db2.gz VACGLDLVFPNVHY-GFCCVEGCSA-N -1 1 353.374 2.955 20 10 FFCDMM CCCN(CC)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000783352521 1030045343 /nfs/dbraw/zinc/04/53/43/1030045343.db2.gz ZSWVXAUISPPBKF-UHFFFAOYSA-N -1 1 358.394 2.769 20 10 FFCDMM Nc1ccc(CCNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000841961735 1030560876 /nfs/dbraw/zinc/56/08/76/1030560876.db2.gz GZUFMFROFQBCJZ-UHFFFAOYSA-N -1 1 367.449 2.821 20 10 FFCDMM O=C(NC1CCC1)[C@@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142517431 1030565543 /nfs/dbraw/zinc/56/55/43/1030565543.db2.gz MZAMWJNGJKVKFQ-AWEZNQCLSA-N -1 1 350.409 2.941 20 10 FFCDMM O=C1NCCN(Cc2cc(F)c(F)cc2[O-])[C@H]1c1ccc(Cl)cc1 ZINC001142530286 1030581449 /nfs/dbraw/zinc/58/14/49/1030581449.db2.gz BWACMIZLLSQHDF-INIZCTEOSA-N -1 1 352.768 2.997 20 10 FFCDMM CC(C)(C)OC(=O)CC1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC000830608264 1033708388 /nfs/dbraw/zinc/70/83/88/1033708388.db2.gz DCNWEURHTBSFCY-UHFFFAOYSA-N -1 1 364.394 2.726 20 10 FFCDMM Cn1nc(C(=O)N2CCCC2)c2c1CN(Cc1c([O-])cccc1Cl)C2 ZINC001140340082 1035443407 /nfs/dbraw/zinc/44/34/07/1035443407.db2.gz QUICNBZZNFSNHU-UHFFFAOYSA-N -1 1 360.845 2.531 20 10 FFCDMM O=C(c1cccs1)N1CCN(Cc2cc(Cl)c([O-])cc2O)CC1 ZINC001232262253 1035533972 /nfs/dbraw/zinc/53/39/72/1035533972.db2.gz DEHHFCJZBUAVOJ-UHFFFAOYSA-N -1 1 352.843 2.771 20 10 FFCDMM CCCOC(=O)[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227579920 1035615742 /nfs/dbraw/zinc/61/57/42/1035615742.db2.gz ASMBJAZXRYXCSH-NSHDSACASA-N -1 1 354.358 2.888 20 10 FFCDMM CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1c([O-])ccc(F)c1F ZINC001233336261 1036542337 /nfs/dbraw/zinc/54/23/37/1036542337.db2.gz FRQUDYPIYFEBGR-LBPRGKRZSA-N -1 1 357.397 2.993 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CCOC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001229828730 1036922505 /nfs/dbraw/zinc/92/25/05/1036922505.db2.gz FBXFYNJXQSKCAH-HOCLYGCPSA-N -1 1 356.349 2.982 20 10 FFCDMM CCc1c(C)nc2n(c1=O)CCC[C@@H]2Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473391 1037050929 /nfs/dbraw/zinc/05/09/29/1037050929.db2.gz FXRQFQRGLVLRSM-INIZCTEOSA-N -1 1 358.394 2.642 20 10 FFCDMM CCOC(=O)[C@H](C)[C@@H](Oc1cc([O-])c(O)cc1C(C)=O)C(F)(F)F ZINC001234473658 1037051054 /nfs/dbraw/zinc/05/10/54/1037051054.db2.gz JUFITZVAKZGXDA-FUXBKTLASA-N -1 1 350.289 2.809 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231564346 1037688060 /nfs/dbraw/zinc/68/80/60/1037688060.db2.gz YMHWFXPEMKYVLF-OLZOCXBDSA-N -1 1 364.442 2.920 20 10 FFCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)c3cccc(F)c3)C2)c1 ZINC001231566545 1037692095 /nfs/dbraw/zinc/69/20/95/1037692095.db2.gz OOYDTUUUIDHQEE-QGZVFWFLSA-N -1 1 372.396 2.624 20 10 FFCDMM CC(C)(C)OC(=O)NCCN1CCN(Cc2cccc(Cl)c2[O-])CC1 ZINC001231910385 1038007804 /nfs/dbraw/zinc/00/78/04/1038007804.db2.gz NSKJEWOVJFIPSL-UHFFFAOYSA-N -1 1 369.893 2.688 20 10 FFCDMM COc1cc([O-])c(CN2CCn3c(nnc3C(F)(F)F)C2)c(Cl)c1 ZINC001236798043 1038276381 /nfs/dbraw/zinc/27/63/81/1038276381.db2.gz KOYGXYXDDZAEHT-UHFFFAOYSA-N -1 1 362.739 2.680 20 10 FFCDMM O=S1(=O)CC[C@H](CF)C12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237084577 1038439902 /nfs/dbraw/zinc/43/99/02/1038439902.db2.gz KUFWQPFPYBZROQ-SECBINFHSA-N -1 1 368.257 2.658 20 10 FFCDMM O=C(NCCc1ccns1)NCc1cccc(Br)c1[O-] ZINC001246383069 1039330284 /nfs/dbraw/zinc/33/02/84/1039330284.db2.gz SQYWQCNMTAIJOF-UHFFFAOYSA-N -1 1 356.245 2.653 20 10 FFCDMM CC(C)NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001279504906 1043198835 /nfs/dbraw/zinc/19/88/35/1043198835.db2.gz MZRQLUGSCBMPFJ-BETUJISGSA-N -1 1 357.376 2.788 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCO1 ZINC001237933593 1043442372 /nfs/dbraw/zinc/44/23/72/1043442372.db2.gz DOCOVCSEGHYTEV-LBPRGKRZSA-N -1 1 374.840 2.910 20 10 FFCDMM CCOC(=O)c1c2c(nn1C)CN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237943529 1043448507 /nfs/dbraw/zinc/44/85/07/1043448507.db2.gz MEPKKHPGVMKFDZ-UHFFFAOYSA-N -1 1 353.781 2.611 20 10 FFCDMM O=C(CCc1nc(-c2ccccc2)no1)OCC(=O)c1ccc([O-])c(O)c1 ZINC001326581241 1046988251 /nfs/dbraw/zinc/98/82/51/1046988251.db2.gz ZQHQHQLQIOKILL-UHFFFAOYSA-N -1 1 368.345 2.507 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3c(c2)CCCC3)c1 ZINC001330634485 1049241862 /nfs/dbraw/zinc/24/18/62/1049241862.db2.gz MKDBTWRVYSMLCE-UHFFFAOYSA-N -1 1 360.435 2.895 20 10 FFCDMM Cn1ncc2cc(S(=O)(=O)Nc3cc(Cl)c([O-])c(Cl)c3)cnc21 ZINC001342995452 1051611637 /nfs/dbraw/zinc/61/16/37/1051611637.db2.gz SNOCLOBBINAWQD-UHFFFAOYSA-N -1 1 373.221 2.782 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)c1cnn(-c2ccccc2)c1 ZINC001305085380 1051801551 /nfs/dbraw/zinc/80/15/51/1051801551.db2.gz WNLWYICIQIFQTF-UHFFFAOYSA-N -1 1 355.781 2.730 20 10 FFCDMM COc1cc(Br)ccc1CNC(=O)c1c([O-])c(O)ccc1F ZINC001306825462 1052194429 /nfs/dbraw/zinc/19/44/29/1052194429.db2.gz ISXKCXBDFGKUIK-UHFFFAOYSA-N -1 1 370.174 2.938 20 10 FFCDMM O=S(=O)(CC1Cc2ccccc2C1)NCc1cccc(Cl)c1[O-] ZINC001464784751 1062820687 /nfs/dbraw/zinc/82/06/87/1062820687.db2.gz ALVZVXRKYICXEI-UHFFFAOYSA-N -1 1 351.855 2.880 20 10 FFCDMM C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1ccc(-n2ccc(=O)[n-]2)cc1 ZINC001467099578 1063635616 /nfs/dbraw/zinc/63/56/16/1063635616.db2.gz MRIJJNONPVFTNY-GFCCVEGCSA-N -1 1 368.393 2.742 20 10 FFCDMM CC(C)(C)OC(=O)N1CC(CC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001558757275 1076070708 /nfs/dbraw/zinc/07/07/08/1076070708.db2.gz XWMOWYAQXKJFCZ-UHFFFAOYSA-N -1 1 354.834 2.919 20 10 FFCDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000290970343 511155018 /nfs/dbraw/zinc/15/50/18/511155018.db2.gz PTSXLTAMRUAGDD-UHFFFAOYSA-N -1 1 374.462 2.803 20 10 FFCDMM CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1c(F)ccc([O-])c1F ZINC000280796834 511605484 /nfs/dbraw/zinc/60/54/84/511605484.db2.gz PNCTYXBRDXNZRU-UHFFFAOYSA-N -1 1 362.376 2.779 20 10 FFCDMM Cc1cc(C)c(C(=O)[O-])cc1NS(=O)(=O)c1cccc2nsnc21 ZINC000548530161 517039650 /nfs/dbraw/zinc/03/96/50/517039650.db2.gz GUEMFKJKGSXNAN-UHFFFAOYSA-N -1 1 363.420 2.807 20 10 FFCDMM CC(C)O[C@@]1(C)C[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000528272021 518160742 /nfs/dbraw/zinc/16/07/42/518160742.db2.gz JETJSHQBNZLDAX-DOMZBBRYSA-N -1 1 357.248 2.910 20 10 FFCDMM CCN(CC(=O)Nc1oc(C)c(C)c1-c1nn[n-]n1)c1ccc(OC)cc1 ZINC000825398922 607641438 /nfs/dbraw/zinc/64/14/38/607641438.db2.gz BFOVKQVYRZFTFB-UHFFFAOYSA-N -1 1 370.413 2.550 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833898463 605914190 /nfs/dbraw/zinc/91/41/90/605914190.db2.gz UPXSPHKXQKDKOB-QWRGUYRKSA-N -1 1 357.248 2.941 20 10 FFCDMM Cc1cn2c(n1)C[C@@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000861332716 730599516 /nfs/dbraw/zinc/59/95/16/730599516.db2.gz RHTCONVCDUJYLM-NSHDSACASA-N -1 1 364.243 2.538 20 10 FFCDMM C[C@H](NCc1c(Br)cnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866431447 731059679 /nfs/dbraw/zinc/05/96/79/731059679.db2.gz SHSHQWLHZYYRAI-QMMMGPOBSA-N -1 1 355.192 2.647 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000873145100 731880834 /nfs/dbraw/zinc/88/08/34/731880834.db2.gz ILHYJBPNYXMKOR-VHRBIJSZSA-N -1 1 369.259 2.912 20 10 FFCDMM O=C1N[C@@H](c2c([O-])cccc2Br)N2CCc3ccccc3[C@@H]12 ZINC000877857021 732445801 /nfs/dbraw/zinc/44/58/01/732445801.db2.gz KJCHIQHYCXBKBB-JKSUJKDBSA-N -1 1 359.223 2.883 20 10 FFCDMM C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000879774195 732765998 /nfs/dbraw/zinc/76/59/98/732765998.db2.gz FKIJHHBIKAMKEC-LKFCYVNXSA-N -1 1 364.243 2.860 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN(C)Cc2nnc3n2CCC3)c1 ZINC000781894287 738668910 /nfs/dbraw/zinc/66/89/10/738668910.db2.gz FUPGSQOIRLPANM-UHFFFAOYSA-N -1 1 351.248 2.633 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCC[C@@H]2c2nncn2C)c1 ZINC000781907208 738670786 /nfs/dbraw/zinc/67/07/86/738670786.db2.gz GHFKERFVMLUQJC-CYBMUJFWSA-N -1 1 351.248 2.929 20 10 FFCDMM COc1ccc(CS(C)(=O)=O)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883117661 733337188 /nfs/dbraw/zinc/33/71/88/733337188.db2.gz FNSWEROWQDPMRB-UHFFFAOYSA-N -1 1 357.378 2.836 20 10 FFCDMM CC[C@H](NCc1nnc2c(=O)[nH]ccn12)c1cc(Cl)cc(Cl)c1[O-] ZINC000886704710 733820498 /nfs/dbraw/zinc/82/04/98/733820498.db2.gz MYFICMVUBHKMHQ-NSHDSACASA-N -1 1 368.224 2.671 20 10 FFCDMM CC[C@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890757286 734336322 /nfs/dbraw/zinc/33/63/22/734336322.db2.gz BEMQKYAGDZERDP-JSGCOSHPSA-N -1 1 352.862 2.947 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(N2CCC(O)CC2)cc1 ZINC000890760256 734336691 /nfs/dbraw/zinc/33/66/91/734336691.db2.gz LZYWHIBDOGBODI-UHFFFAOYSA-N -1 1 360.841 2.937 20 10 FFCDMM CC(C)(C)OC(=O)NCC1(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890759267 734336896 /nfs/dbraw/zinc/33/68/96/734336896.db2.gz JAAGDVQISWSAEB-UHFFFAOYSA-N -1 1 354.834 2.967 20 10 FFCDMM O=C(Cc1coc(-c2cccs2)n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783517946 738811190 /nfs/dbraw/zinc/81/11/90/738811190.db2.gz YFJRZYLFGLKAOC-UHFFFAOYSA-N -1 1 359.359 2.783 20 10 FFCDMM CN(C(=O)CNC(=O)NCc1cccc(Cl)c1[O-])C1CCCCC1 ZINC000893418742 734699556 /nfs/dbraw/zinc/69/95/56/734699556.db2.gz WJXLWFUINXKNID-UHFFFAOYSA-N -1 1 353.850 2.636 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000896581540 735175791 /nfs/dbraw/zinc/17/57/91/735175791.db2.gz ZWRGFIJOESYZLS-MWLCHTKSSA-N -1 1 352.740 2.955 20 10 FFCDMM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)cc3C)cc21 ZINC000901895144 735862801 /nfs/dbraw/zinc/86/28/01/735862801.db2.gz GIOTVSOHCUPYSR-UHFFFAOYSA-N -1 1 360.435 2.801 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ncc(Br)cn2)c1 ZINC000903320312 736075075 /nfs/dbraw/zinc/07/50/75/736075075.db2.gz FEEQDJABSDYKQV-SECBINFHSA-N -1 1 366.215 2.582 20 10 FFCDMM CC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000760887630 736677698 /nfs/dbraw/zinc/67/76/98/736677698.db2.gz GOVKUBBJUMINNV-UHFFFAOYSA-N -1 1 362.407 2.527 20 10 FFCDMM CC(C)(C)c1cc(CS(=O)(=O)NCc2cccc(Cl)c2[O-])no1 ZINC000908329660 736759216 /nfs/dbraw/zinc/75/92/16/736759216.db2.gz UVZIKHNPULXQHM-UHFFFAOYSA-N -1 1 358.847 2.951 20 10 FFCDMM Cc1ncc(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000764771827 737048065 /nfs/dbraw/zinc/04/80/65/737048065.db2.gz YDJSFRZJMOGNHH-UHFFFAOYSA-N -1 1 356.245 2.919 20 10 FFCDMM COCc1cncc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765729007 737149648 /nfs/dbraw/zinc/14/96/48/737149648.db2.gz XIANLCOTQWTNEK-UHFFFAOYSA-N -1 1 351.200 2.626 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(=O)c2ccccc2[nH]1 ZINC000765737660 737151421 /nfs/dbraw/zinc/15/14/21/737151421.db2.gz VDBUQJLCIXHHSH-UHFFFAOYSA-N -1 1 373.206 2.926 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2cnnc2)cc1 ZINC000765748637 737153041 /nfs/dbraw/zinc/15/30/41/737153041.db2.gz YRBYDZSOTUKYSS-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C([O-])C1(CC(=O)NCc2cc(Cl)cc(Cl)c2O)CCOCC1 ZINC000911744995 737229652 /nfs/dbraw/zinc/22/96/52/737229652.db2.gz PXCHAQZJRNJWQG-UHFFFAOYSA-N -1 1 362.209 2.587 20 10 FFCDMM O=C1CCCCN1[C@@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769339415 737519772 /nfs/dbraw/zinc/51/97/72/737519772.db2.gz XIRNCSJZORCTKO-CQSZACIVSA-N -1 1 367.833 2.931 20 10 FFCDMM CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)c1 ZINC000769704510 737555660 /nfs/dbraw/zinc/55/56/60/737555660.db2.gz ANCPCGDPMCFWND-UHFFFAOYSA-N -1 1 364.423 2.723 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2ccc(F)c(Cl)c2)C(=O)[N-]C1=S ZINC000920975292 737937321 /nfs/dbraw/zinc/93/73/21/737937321.db2.gz CFBYBUSJYDWZLR-UXBLZVDNSA-N -1 1 355.822 2.674 20 10 FFCDMM C[C@H](CO)NC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000787797595 739171258 /nfs/dbraw/zinc/17/12/58/739171258.db2.gz SYORWLNRYHRBPH-SNVBAGLBSA-N -1 1 352.793 2.907 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 ZINC000789971830 739400805 /nfs/dbraw/zinc/40/08/05/739400805.db2.gz TUOVONGWTIGHIN-CQSZACIVSA-N -1 1 353.296 2.729 20 10 FFCDMM NC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000799124557 740389426 /nfs/dbraw/zinc/38/94/26/740389426.db2.gz UGWUHLFXLUXVOB-UHFFFAOYSA-N -1 1 361.206 2.599 20 10 FFCDMM COc1c([O-])c(CN2CCCN2C(=O)OC(C)(C)C)ccc1[N+](=O)[O-] ZINC000811503792 741531061 /nfs/dbraw/zinc/53/10/61/741531061.db2.gz CVSOVNUKVDMSCS-UHFFFAOYSA-N -1 1 353.375 2.667 20 10 FFCDMM Cn1nc(C(=O)NCc2cccc(Br)c2[O-])c2c1CCCC2 ZINC000830529844 745376032 /nfs/dbraw/zinc/37/60/32/745376032.db2.gz QRSMODGOLLQKOF-UHFFFAOYSA-N -1 1 364.243 2.697 20 10 FFCDMM CC(C)Cn1nccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000843867901 747916111 /nfs/dbraw/zinc/91/61/11/747916111.db2.gz UGTZQHOMNPGCDF-UHFFFAOYSA-N -1 1 352.232 2.937 20 10 FFCDMM COc1c([O-])c(CN[C@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848927274 749036895 /nfs/dbraw/zinc/03/68/95/749036895.db2.gz DSIBTBMIJSWCAB-CMPLNLGQSA-N -1 1 364.320 2.899 20 10 FFCDMM CCOc1c(OC)cc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000825643396 1013330021 /nfs/dbraw/zinc/33/00/21/1013330021.db2.gz AREYWDACHFEHNT-UHFFFAOYSA-N -1 1 365.357 2.583 20 10 FFCDMM Cc1cc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC000910240391 981864944 /nfs/dbraw/zinc/86/49/44/981864944.db2.gz OWVCUXQZXSMXRH-KRWDZBQOSA-N -1 1 369.465 2.507 20 10 FFCDMM Cc1cc(CNC(=O)CN2CCC[C@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC000910240391 981864950 /nfs/dbraw/zinc/86/49/50/981864950.db2.gz OWVCUXQZXSMXRH-KRWDZBQOSA-N -1 1 369.465 2.507 20 10 FFCDMM O=C(c1ccccc1F)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520132 982524388 /nfs/dbraw/zinc/52/43/88/982524388.db2.gz BZRIASKKIVOJEE-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM C[C@@H]1Sc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2NC1=O ZINC000916607822 989837674 /nfs/dbraw/zinc/83/76/74/989837674.db2.gz VDDXVZLCNHMWNG-VIFPVBQESA-N -1 1 373.386 2.570 20 10 FFCDMM O=C(NCc1ccc(N2CCCCC2=O)cc1)c1c(F)ccc(O)c1[O-] ZINC000825523107 997413086 /nfs/dbraw/zinc/41/30/86/997413086.db2.gz OYZSTIWLXDPSJN-UHFFFAOYSA-N -1 1 358.369 2.684 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCC4(CCC4)C3)cc12 ZINC001184359680 1002568318 /nfs/dbraw/zinc/56/83/18/1002568318.db2.gz RXRJCIVGHXZOJR-UHFFFAOYSA-N -1 1 370.449 2.641 20 10 FFCDMM Cn1nc(NC(=O)c2ccc(O)c([O-])c2Cl)c2ccc(Cl)nc21 ZINC001193209364 1004403069 /nfs/dbraw/zinc/40/30/69/1004403069.db2.gz IYQUDSXLTQWXBX-UHFFFAOYSA-N -1 1 353.165 2.939 20 10 FFCDMM CCOC(=O)C[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C[C@@H]1C ZINC001193232432 1004411678 /nfs/dbraw/zinc/41/16/78/1004411678.db2.gz JBYXKTIRPOMIAJ-WDEREUQCSA-N -1 1 355.818 2.803 20 10 FFCDMM COc1ccc2c(c1)OC[C@H](CNC(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193247070 1004418091 /nfs/dbraw/zinc/41/80/91/1004418091.db2.gz JSTGRWLLSLOGKT-JTQLQIEISA-N -1 1 363.797 2.741 20 10 FFCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)C1CCC(=O)CC1 ZINC001194809225 1004820540 /nfs/dbraw/zinc/82/05/40/1004820540.db2.gz KLYVDSXIWAHJFJ-UHFFFAOYSA-N -1 1 358.419 2.566 20 10 FFCDMM C[C@@H](Cc1cnc2ccccc2n1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815464944 1006645822 /nfs/dbraw/zinc/64/58/22/1006645822.db2.gz UIDNWIZAWBBAHN-LBPRGKRZSA-N -1 1 366.373 2.646 20 10 FFCDMM O=C(N[C@@H]1CC12CCC2)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152611384 1032202552 /nfs/dbraw/zinc/20/25/52/1032202552.db2.gz XZLLPJKRLSMCLX-OAHLLOKOSA-N -1 1 363.369 2.546 20 10 FFCDMM COc1ccc(N2CC[C@H](NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)C2)cc1 ZINC000855232097 1007199259 /nfs/dbraw/zinc/19/92/59/1007199259.db2.gz QQQLRTTWUHUUPT-AWEZNQCLSA-N -1 1 370.453 2.631 20 10 FFCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000822371678 1008589756 /nfs/dbraw/zinc/58/97/56/1008589756.db2.gz YAEJSMAEPDUJRR-LBPRGKRZSA-N -1 1 360.385 2.502 20 10 FFCDMM Cc1c(CC(=O)NCc2cccc(Cl)c2[O-])nnn1-c1ccccc1 ZINC001180410178 1009684909 /nfs/dbraw/zinc/68/49/09/1009684909.db2.gz LBSKZUSTAAZHTP-UHFFFAOYSA-N -1 1 356.813 2.794 20 10 FFCDMM Cc1ccc(C)c(C(=O)CCC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001181474647 1010127891 /nfs/dbraw/zinc/12/78/91/1010127891.db2.gz NYRIWSBJEFHLFN-UHFFFAOYSA-N -1 1 355.390 2.677 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)c(C)n1-c1ccccn1 ZINC000773316187 1011319902 /nfs/dbraw/zinc/31/99/02/1011319902.db2.gz UBJOMDOBCMKQAF-CQSZACIVSA-N -1 1 367.409 2.598 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncoc1[C@@H]1CCCO1 ZINC001116794285 1021418801 /nfs/dbraw/zinc/41/88/01/1021418801.db2.gz QWMDPAYPSNFILQ-NSHDSACASA-N -1 1 367.199 2.924 20 10 FFCDMM Cn1ncc2c1CN(Cc1c([O-])cccc1F)C[C@@H]2COc1cccnc1 ZINC001137834736 1033171199 /nfs/dbraw/zinc/17/11/99/1033171199.db2.gz RELAAPUDQQILOP-CQSZACIVSA-N -1 1 368.412 2.838 20 10 FFCDMM Cn1c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc2ccccc21 ZINC001155222864 1028631182 /nfs/dbraw/zinc/63/11/82/1028631182.db2.gz VSWVBTKEKZCSGQ-UHFFFAOYSA-N -1 1 350.330 2.948 20 10 FFCDMM O=C(CCc1nc(-c2cccs2)no1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782202674 1029608694 /nfs/dbraw/zinc/60/86/94/1029608694.db2.gz JECZMEXIVFXVAK-UHFFFAOYSA-N -1 1 374.374 2.568 20 10 FFCDMM O=C(COC(=O)C1(c2cccc(F)c2)CCOCC1)c1ccc([O-])c(O)c1 ZINC000783176809 1029949144 /nfs/dbraw/zinc/94/91/44/1029949144.db2.gz YDRSMYILDRQMIJ-UHFFFAOYSA-N -1 1 374.364 2.711 20 10 FFCDMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1=O ZINC000840998156 1029966528 /nfs/dbraw/zinc/96/65/28/1029966528.db2.gz OHALYZIFROCJRF-NVXWUHKLSA-N -1 1 374.824 2.562 20 10 FFCDMM O=C(COC(=O)c1cc(=O)[nH]c2ccc(F)cc21)c1ccc([O-])c(O)c1 ZINC000783746265 1030263723 /nfs/dbraw/zinc/26/37/23/1030263723.db2.gz SDFKMHIDTMIJJW-UHFFFAOYSA-N -1 1 357.293 2.530 20 10 FFCDMM COc1ccc(C[C@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000784631032 1030728131 /nfs/dbraw/zinc/72/81/31/1030728131.db2.gz LQJIHXUDMSKDAI-LBPRGKRZSA-N -1 1 374.389 2.720 20 10 FFCDMM Cc1cc(C(=O)N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c(C)o1 ZINC001204720841 1031415974 /nfs/dbraw/zinc/41/59/74/1031415974.db2.gz DICMWWOSXNYAEU-UHFFFAOYSA-N -1 1 350.365 2.838 20 10 FFCDMM CC(C)(C)OC(=O)NC1(C)CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829714230 1033300083 /nfs/dbraw/zinc/30/00/83/1033300083.db2.gz TYHDTOHRZGVRQI-UHFFFAOYSA-N -1 1 368.405 2.756 20 10 FFCDMM CS(=O)(=O)c1c(F)cccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001219164843 1033538334 /nfs/dbraw/zinc/53/83/34/1033538334.db2.gz VHHYHOFDNFRSSH-UHFFFAOYSA-N -1 1 372.805 2.910 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@H]2[C@H](C1)OCCN2Cc1cccc(F)c1[O-] ZINC001138123751 1033799771 /nfs/dbraw/zinc/79/97/71/1033799771.db2.gz JZDHENIKXBZMCZ-HOTGVXAUSA-N -1 1 366.433 2.742 20 10 FFCDMM COc1cc2c(cn1)CCN(Cc1c([O-])ccc3c(C)cc(=O)oc31)C2 ZINC001139129592 1034958568 /nfs/dbraw/zinc/95/85/68/1034958568.db2.gz CEOJRPSZQJBYJT-UHFFFAOYSA-N -1 1 352.390 2.769 20 10 FFCDMM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233078373 1036326631 /nfs/dbraw/zinc/32/66/31/1036326631.db2.gz SZYRKDCFERVEDB-CYBMUJFWSA-N -1 1 356.413 2.566 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2C[C@@H]3C[C@H]2C[C@@H]3F)c1 ZINC001233309011 1036514746 /nfs/dbraw/zinc/51/47/46/1036514746.db2.gz PMQKHHGKPVTTCQ-GAFUQQFSSA-N -1 1 358.207 2.874 20 10 FFCDMM COC[C@H]1CN(Cc2c([O-])ccc(F)c2F)CCN1C(=O)OC(C)(C)C ZINC001233332433 1036537573 /nfs/dbraw/zinc/53/75/73/1036537573.db2.gz KXIYNZNOCHRXGE-GFCCVEGCSA-N -1 1 372.412 2.738 20 10 FFCDMM C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ncccn1 ZINC001229197872 1036549066 /nfs/dbraw/zinc/54/90/66/1036549066.db2.gz RGOVHYHTMDJGQI-JTQLQIEISA-N -1 1 362.341 2.803 20 10 FFCDMM CN(C)C(=O)NC1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235306016 1037464881 /nfs/dbraw/zinc/46/48/81/1037464881.db2.gz BQNBMLSXMXAPTA-UHFFFAOYSA-N -1 1 374.254 2.529 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](Oc2cnccn2)C1 ZINC001235307003 1037465471 /nfs/dbraw/zinc/46/54/71/1037465471.db2.gz JUQVIOQGPAXZPG-GFCCVEGCSA-N -1 1 368.206 2.737 20 10 FFCDMM CC(C)CN1C[C@@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277509914 1037549812 /nfs/dbraw/zinc/54/98/12/1037549812.db2.gz JTMVVJBXLXLDTR-SFHVURJKSA-N -1 1 370.852 2.644 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC1(C)C ZINC001231452676 1037592136 /nfs/dbraw/zinc/59/21/36/1037592136.db2.gz RHRRLHOCRJMRTJ-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(F)cc3)C2)c1 ZINC001231566874 1037692432 /nfs/dbraw/zinc/69/24/32/1037692432.db2.gz SEGDPPLZLMKNCO-QGZVFWFLSA-N -1 1 372.396 2.624 20 10 FFCDMM CCOCc1ncn2c1CN(Cc1c([O-])cc(OC)cc1Cl)CC2 ZINC001236796150 1038275130 /nfs/dbraw/zinc/27/51/30/1038275130.db2.gz CEZKSGWPJCZPFH-UHFFFAOYSA-N -1 1 351.834 2.803 20 10 FFCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)Cc2nnn(C)c21 ZINC001237081712 1038438692 /nfs/dbraw/zinc/43/86/92/1038438692.db2.gz SMNFYBYLQIVVRR-JTQLQIEISA-N -1 1 371.268 2.963 20 10 FFCDMM COC[C@@H]1c2nnn(C)c2CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237080001 1038438654 /nfs/dbraw/zinc/43/86/54/1038438654.db2.gz QTQSIUVAEXATCB-GFCCVEGCSA-N -1 1 357.241 2.573 20 10 FFCDMM O=S(=O)([N-]Cc1cccc(O)c1O)c1cc(Cl)sc1Cl ZINC001260473257 1040616645 /nfs/dbraw/zinc/61/66/45/1040616645.db2.gz YOULNPXJHNJWPD-UHFFFAOYSA-N -1 1 354.236 2.945 20 10 FFCDMM COc1ccnc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237801294 1043365694 /nfs/dbraw/zinc/36/56/94/1043365694.db2.gz HBXGUGQNQVBFNA-LBPRGKRZSA-N -1 1 353.781 2.637 20 10 FFCDMM COc1ccc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)nc1 ZINC001237939798 1043446691 /nfs/dbraw/zinc/44/66/91/1043446691.db2.gz GDQDDNXZRGVJSH-UHFFFAOYSA-N -1 1 351.809 2.911 20 10 FFCDMM CO[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001237943731 1043448733 /nfs/dbraw/zinc/44/87/33/1043448733.db2.gz PRXUDFYHMGOPOO-DZGCQCFKSA-N -1 1 374.840 2.909 20 10 FFCDMM Cc1cc(CN2CCC23CN(Cc2c([O-])ccc(F)c2Cl)C3)n(C)n1 ZINC001279684794 1043465778 /nfs/dbraw/zinc/46/57/78/1043465778.db2.gz UCZUMEXJCJFWBO-UHFFFAOYSA-N -1 1 364.852 2.687 20 10 FFCDMM COC(=O)c1ccc(C)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001309941631 1043599778 /nfs/dbraw/zinc/59/97/78/1043599778.db2.gz WCCMXIJZFKEREA-UHFFFAOYSA-N -1 1 369.826 2.619 20 10 FFCDMM O=[N+]([O-])c1c(F)cccc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001309940310 1043600196 /nfs/dbraw/zinc/60/01/96/1043600196.db2.gz IOEMQFFLIYCYTB-UHFFFAOYSA-N -1 1 360.750 2.571 20 10 FFCDMM O=C([O-])C1CC2(C1)C[C@@H]([NH2+]Cc1c([O-])cccc1Br)CCO2 ZINC001334845582 1053112053 /nfs/dbraw/zinc/11/20/53/1053112053.db2.gz XOGOLNYCTAFXQT-CSJGVYOVSA-N -1 1 370.243 2.657 20 10 FFCDMM Cn1ccnc1[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001349857685 1055503322 /nfs/dbraw/zinc/50/33/22/1055503322.db2.gz LCSFZCMPJHAOCQ-NSHDSACASA-N -1 1 362.739 2.882 20 10 FFCDMM CSCC[C@H](NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1nn[n-]n1 ZINC001453786910 1059411713 /nfs/dbraw/zinc/41/17/13/1059411713.db2.gz WWAHQTIFEVIDBG-INIZCTEOSA-N -1 1 370.482 2.831 20 10 FFCDMM O=S(=O)([N-]Cc1cccc(Cl)c1O)c1ccc(F)c(F)c1F ZINC001464795994 1062828209 /nfs/dbraw/zinc/82/82/09/1062828209.db2.gz XVUTWYPGZVQXBJ-UHFFFAOYSA-N -1 1 351.733 2.941 20 10 FFCDMM CCn1cc(Br)c(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001472316783 1065013284 /nfs/dbraw/zinc/01/32/84/1065013284.db2.gz HEOYIUORIGRROF-UHFFFAOYSA-N -1 1 358.623 2.955 20 10 FFCDMM COC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)o1 ZINC001568605692 1077102669 /nfs/dbraw/zinc/10/26/69/1077102669.db2.gz RSGIRMDKUBCNQX-UHFFFAOYSA-N -1 1 368.183 2.773 20 10 FFCDMM CC(C)(C)OC(=O)CN(CCC(=O)[O-])Cc1cc(Cl)cc(F)c1O ZINC001589883265 1080829877 /nfs/dbraw/zinc/82/98/77/1080829877.db2.gz NLAFQSZRCRAMAO-UHFFFAOYSA-N -1 1 361.797 2.803 20 10 FFCDMM Cc1cc(C(=O)N(C)C[C@H](C)c2nn[n-]n2)c(C)n1-c1ccc(F)cc1 ZINC000183431914 509785063 /nfs/dbraw/zinc/78/50/63/509785063.db2.gz HVEXEIQSJSKLQR-NSHDSACASA-N -1 1 356.405 2.622 20 10 FFCDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000265735104 510200762 /nfs/dbraw/zinc/20/07/62/510200762.db2.gz CYXRLDNROADUIG-UHFFFAOYSA-N -1 1 362.451 2.983 20 10 FFCDMM CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC000276656404 510944263 /nfs/dbraw/zinc/94/42/63/510944263.db2.gz XKUDTZCSVNNRRF-CJNGLKHVSA-N -1 1 366.339 2.690 20 10 FFCDMM C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277604183 510967453 /nfs/dbraw/zinc/96/74/53/510967453.db2.gz URGHODSFFVQAMP-SECBINFHSA-N -1 1 373.247 2.684 20 10 FFCDMM CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)/N=c1/ccnc2n(C)[n-]cc1-2 ZINC000286979995 511037189 /nfs/dbraw/zinc/03/71/89/511037189.db2.gz AYANNSSXQBINLH-NKFKGCMQSA-N -1 1 366.469 2.850 20 10 FFCDMM CCn1cc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000297221553 512065464 /nfs/dbraw/zinc/06/54/64/512065464.db2.gz ZFYTWBBTQTUYCR-SNVBAGLBSA-N -1 1 367.247 2.932 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC(Oc3cnccn3)CC2)c1[O-] ZINC000369691051 512556688 /nfs/dbraw/zinc/55/66/88/512556688.db2.gz CHNJSZUMURNDBC-UHFFFAOYSA-N -1 1 364.789 2.787 20 10 FFCDMM Fc1ccc2c(C3=CCN(c4nccnc4-c4nnn[n-]4)CC3)c[nH]c2c1 ZINC000737655716 598345519 /nfs/dbraw/zinc/34/55/19/598345519.db2.gz FBSYLGGJBARSBA-UHFFFAOYSA-N -1 1 362.372 2.571 20 10 FFCDMM Fc1ccc2c(C3=CCN(c4nccnc4-c4nn[n-]n4)CC3)c[nH]c2c1 ZINC000737655716 598345521 /nfs/dbraw/zinc/34/55/21/598345521.db2.gz FBSYLGGJBARSBA-UHFFFAOYSA-N -1 1 362.372 2.571 20 10 FFCDMM COc1ccc(N2CCN([C@H](C(=O)[O-])c3ccc(F)cc3)CC2)cc1F ZINC000832384043 601551666 /nfs/dbraw/zinc/55/16/66/601551666.db2.gz QRPZUFXRYOHRAO-SFHVURJKSA-N -1 1 362.376 2.921 20 10 FFCDMM Cc1cc(CCNc2ccc(-c3nnn[n-]3)nn2)c(C)n1-c1ccccc1 ZINC000826266704 608393275 /nfs/dbraw/zinc/39/32/75/608393275.db2.gz YKWSPYCYIRAGAZ-UHFFFAOYSA-N -1 1 360.425 2.719 20 10 FFCDMM Cc1cc(CCNc2ccc(-c3nn[n-]n3)nn2)c(C)n1-c1ccccc1 ZINC000826266704 608393277 /nfs/dbraw/zinc/39/32/77/608393277.db2.gz YKWSPYCYIRAGAZ-UHFFFAOYSA-N -1 1 360.425 2.719 20 10 FFCDMM O=C([O-])CN1C(=O)/C(=C/c2cc(Cl)cc(Cl)c2O)SC1=S ZINC000002908008 727774502 /nfs/dbraw/zinc/77/45/02/727774502.db2.gz QKXZSOYXAMWPPT-WAPJZHGLSA-N -1 1 364.231 2.985 20 10 FFCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]CCCSc2nccs2)s1 ZINC000117365152 728578119 /nfs/dbraw/zinc/57/81/19/728578119.db2.gz FWFKKTQZLMCJSW-UHFFFAOYSA-N -1 1 365.483 2.574 20 10 FFCDMM CN(C)c1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2[N+](=O)[O-])cc1 ZINC000119513443 728595444 /nfs/dbraw/zinc/59/54/44/728595444.db2.gz UXEVBWLEPPUNML-UHFFFAOYSA-N -1 1 369.830 2.793 20 10 FFCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1csc(Br)c1 ZINC000782676853 738746879 /nfs/dbraw/zinc/74/68/79/738746879.db2.gz MTKKDVYROGFWNZ-UHFFFAOYSA-N -1 1 357.181 2.962 20 10 FFCDMM CCn1cc(Br)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783388011 738803231 /nfs/dbraw/zinc/80/32/31/738803231.db2.gz GRLVTBOKXJPVJU-UHFFFAOYSA-N -1 1 368.183 2.721 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1(n2cc(Br)cn2)CC1 ZINC000890763202 734337042 /nfs/dbraw/zinc/33/70/42/734337042.db2.gz RFEMJGOPLWBZIM-UHFFFAOYSA-N -1 1 370.634 2.810 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCC[C@@H]1N1CCCC1=O ZINC000890761755 734337219 /nfs/dbraw/zinc/33/72/19/734337219.db2.gz WQXBZPOYGPQFEY-HIFRSBDPSA-N -1 1 350.846 2.843 20 10 FFCDMM CCc1ccc2c(c1)CCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000891383768 734422952 /nfs/dbraw/zinc/42/29/52/734422952.db2.gz ACLFAUNXAHZSGF-UHFFFAOYSA-N -1 1 360.435 2.529 20 10 FFCDMM O=C(NCCC(=O)N1CCCCCC1)NCc1cccc(Cl)c1[O-] ZINC000892530902 734569871 /nfs/dbraw/zinc/56/98/71/734569871.db2.gz AYEZFIFEEYKFTB-UHFFFAOYSA-N -1 1 353.850 2.638 20 10 FFCDMM CCOCCO[C@H]1CCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894093847 734800433 /nfs/dbraw/zinc/80/04/33/734800433.db2.gz IUOLOBCYKGCUAF-ZDUSSCGKSA-N -1 1 362.239 2.921 20 10 FFCDMM CCO[C@@H]1C[C@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@@]12CCCO2 ZINC000894191814 734815651 /nfs/dbraw/zinc/81/56/51/734815651.db2.gz DOLMGOMJOYDHBK-VBQJREDUSA-N -1 1 354.834 2.571 20 10 FFCDMM CN(C)Cc1csc(CNC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000896594976 735176289 /nfs/dbraw/zinc/17/62/89/735176289.db2.gz MJFFWIPTPYRANL-UHFFFAOYSA-N -1 1 354.863 2.563 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@H]3CCCO3)CC2)c1[O-] ZINC000750032494 735767444 /nfs/dbraw/zinc/76/74/44/735767444.db2.gz ARZGXDDQYLZECR-MRXNPFEDSA-N -1 1 352.862 2.545 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CNc1ncc2c(n1)CCOC2 ZINC000905417636 736338372 /nfs/dbraw/zinc/33/83/72/736338372.db2.gz BMXGKXYQXMEUMX-UHFFFAOYSA-N -1 1 354.179 2.769 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(Cl)c1 ZINC000758172044 736458824 /nfs/dbraw/zinc/45/88/24/736458824.db2.gz YWILXDDNNNTSQE-UHFFFAOYSA-N -1 1 359.762 2.772 20 10 FFCDMM CC1(C)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2ccccc21 ZINC000758347572 736478350 /nfs/dbraw/zinc/47/83/50/736478350.db2.gz PSIKNUJRNLFTRE-UHFFFAOYSA-N -1 1 360.435 2.702 20 10 FFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2oc(=O)ccc2c1 ZINC000758775223 736519975 /nfs/dbraw/zinc/51/99/75/736519975.db2.gz UBJLEEZBUATQBP-UHFFFAOYSA-N -1 1 359.359 2.502 20 10 FFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000758775268 736520252 /nfs/dbraw/zinc/52/02/52/736520252.db2.gz UOBJINVVAXRMQA-UHFFFAOYSA-N -1 1 363.391 2.557 20 10 FFCDMM CO[C@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])c1ccc(F)cc1 ZINC000908328552 736758751 /nfs/dbraw/zinc/75/87/51/736758751.db2.gz OBTWWPCEKBREHN-OAHLLOKOSA-N -1 1 373.833 2.992 20 10 FFCDMM Cc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000764765959 737047307 /nfs/dbraw/zinc/04/73/07/737047307.db2.gz XCHQEQYVFBKLPF-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM CS(=O)(=O)c1cccnc1NCc1cccc(Br)c1[O-] ZINC000764935509 737065132 /nfs/dbraw/zinc/06/51/32/737065132.db2.gz VVWZYMWUYVIXLB-UHFFFAOYSA-N -1 1 357.229 2.565 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(cc1O)OCO2 ZINC000765735985 737150881 /nfs/dbraw/zinc/15/08/81/737150881.db2.gz JQLQPIQTGHXPEZ-UHFFFAOYSA-N -1 1 366.167 2.519 20 10 FFCDMM O=C(CN1c2cccc3cccc(c23)S1(=O)=O)c1ccc([O-])c(O)c1 ZINC000916589921 737713476 /nfs/dbraw/zinc/71/34/76/737713476.db2.gz IHUOGAXHZNSYIK-UHFFFAOYSA-N -1 1 355.371 2.643 20 10 FFCDMM COC(=O)c1nccc2c1cccc2S(=O)(=O)[N-]c1ccc(O)cc1 ZINC000776745412 738228547 /nfs/dbraw/zinc/22/85/47/738228547.db2.gz WWFYFKQEFCONBH-UHFFFAOYSA-N -1 1 358.375 2.528 20 10 FFCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1c(F)ccc(O)c1[O-] ZINC000789960852 739399956 /nfs/dbraw/zinc/39/99/56/739399956.db2.gz VXBQQMDMWHMWTB-UHFFFAOYSA-N -1 1 362.426 2.720 20 10 FFCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1F ZINC000790415704 739450980 /nfs/dbraw/zinc/45/09/80/739450980.db2.gz IHQGUVXVFRHLMT-UHFFFAOYSA-N -1 1 353.371 2.901 20 10 FFCDMM C[C@@H]1OCC[C@@]12C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932271 739515446 /nfs/dbraw/zinc/51/54/46/739515446.db2.gz NFIJIWYVKZLOJY-BFQNTYOBSA-N -1 1 356.260 2.923 20 10 FFCDMM COc1cnc(NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000806514729 741066319 /nfs/dbraw/zinc/06/63/19/741066319.db2.gz GUQDGYKOEACGJA-UHFFFAOYSA-N -1 1 358.217 2.942 20 10 FFCDMM CCOC(=O)[C@@H](F)C1CN(Cc2cc(C)cc(Br)c2[O-])C1 ZINC000816635030 742049335 /nfs/dbraw/zinc/04/93/35/742049335.db2.gz AGVNJQDYGAUFNP-ZDUSSCGKSA-N -1 1 360.223 2.796 20 10 FFCDMM CC(C)(C)OC(=O)C[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826938266 743473903 /nfs/dbraw/zinc/47/39/03/743473903.db2.gz VCKJYJUJLHEZTR-NSHDSACASA-N -1 1 353.390 2.821 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(N2CCC2)nc1 ZINC000831158259 745491912 /nfs/dbraw/zinc/49/19/12/745491912.db2.gz DSCIGKRPDDNAKC-UHFFFAOYSA-N -1 1 362.227 2.690 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000840997732 747253058 /nfs/dbraw/zinc/25/30/58/747253058.db2.gz HXUYOTRDDCLSEE-SUHUHFCYSA-N -1 1 350.371 2.527 20 10 FFCDMM COc1c([O-])c(C[N@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000840997732 747253064 /nfs/dbraw/zinc/25/30/64/747253064.db2.gz HXUYOTRDDCLSEE-SUHUHFCYSA-N -1 1 350.371 2.527 20 10 FFCDMM COc1cc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c(O)cc1C ZINC000848501741 748942745 /nfs/dbraw/zinc/94/27/45/748942745.db2.gz DXAXXZZNJLXKHH-DGCLKSJQSA-N -1 1 360.376 2.741 20 10 FFCDMM CS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])cn1 ZINC000048795777 845178943 /nfs/dbraw/zinc/17/89/43/845178943.db2.gz OSRGSIRPNTWLNT-UHFFFAOYSA-N -1 1 357.229 2.565 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H](c1ccccc1)N1CCC(O)CC1 ZINC000890760127 960321743 /nfs/dbraw/zinc/32/17/43/960321743.db2.gz JAIQHYUBDOXFBT-GOSISDBHSA-N -1 1 374.868 2.860 20 10 FFCDMM O=C(CCC(=O)N1CCOc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC000890760598 960324410 /nfs/dbraw/zinc/32/44/10/960324410.db2.gz UWCQNPYJIWQDFO-UHFFFAOYSA-N -1 1 374.824 2.868 20 10 FFCDMM CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107385 962383277 /nfs/dbraw/zinc/38/32/77/962383277.db2.gz ORXCTXQKSYLNQQ-HNNXBMFYSA-N -1 1 360.404 2.980 20 10 FFCDMM COc1ccc(C(C)(C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000825756154 1013942990 /nfs/dbraw/zinc/94/29/90/1013942990.db2.gz JVXZJXZORDZWHA-UHFFFAOYSA-N -1 1 363.385 2.962 20 10 FFCDMM CCN(CC)c1ccc(C[N@H+]2C[C@@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001596289412 983709390 /nfs/dbraw/zinc/70/93/90/983709390.db2.gz HZGAZUICHWQPSK-CMVHYPBASA-N -1 1 360.454 2.530 20 10 FFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(Cn2ccccc2=O)o1 ZINC001128606785 989541350 /nfs/dbraw/zinc/54/13/50/989541350.db2.gz JQTMJPAZKUAUCT-UHFFFAOYSA-N -1 1 370.752 2.932 20 10 FFCDMM CCOc1ccc(C(=O)CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916591473 989831829 /nfs/dbraw/zinc/83/18/29/989831829.db2.gz OAZMKWTWYABJJE-UHFFFAOYSA-N -1 1 372.373 2.886 20 10 FFCDMM C[C@@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000827238072 1015992357 /nfs/dbraw/zinc/99/23/57/1015992357.db2.gz FYHAWKPQSNLIGG-GHMZBOCLSA-N -1 1 368.405 2.612 20 10 FFCDMM Cc1cc(Cl)nc(Cl)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001147903906 1001005122 /nfs/dbraw/zinc/00/51/22/1001005122.db2.gz PPYPPHSAZFGANU-UHFFFAOYSA-N -1 1 355.177 2.721 20 10 FFCDMM CCN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1ccc2[nH]ccc2c1 ZINC000788550287 1001819205 /nfs/dbraw/zinc/81/92/05/1001819205.db2.gz JOOTYZQWVACZSY-UHFFFAOYSA-N -1 1 373.434 2.912 20 10 FFCDMM O=C(CNC(=O)[C@H]1CCc2c3ccccc3[nH]c2C1)c1ccc([O-])c(O)c1 ZINC001182717062 1002006258 /nfs/dbraw/zinc/00/62/58/1002006258.db2.gz DWBWVKCBPVDUEK-ZDUSSCGKSA-N -1 1 364.401 2.683 20 10 FFCDMM CCOc1cc2c(cc1CNC(=O)c1c(F)ccc(O)c1[O-])O[C@@H](C)C2 ZINC000789944203 1002236511 /nfs/dbraw/zinc/23/65/11/1002236511.db2.gz NHYAZAZBJUGTSY-JTQLQIEISA-N -1 1 361.369 2.889 20 10 FFCDMM CCOC(=O)c1cc2ccc(NCC(=O)c3ccc([O-])c(O)c3)cn2c1 ZINC001170314765 1003104308 /nfs/dbraw/zinc/10/43/08/1003104308.db2.gz HQKZZNXWBLFSRD-UHFFFAOYSA-N -1 1 354.362 2.822 20 10 FFCDMM O=C(CNc1cc(Cl)nc(-c2ccccn2)n1)c1ccc([O-])c(O)c1 ZINC001170316539 1003106976 /nfs/dbraw/zinc/10/69/76/1003106976.db2.gz HZGLCFZGTQXZOU-UHFFFAOYSA-N -1 1 356.769 2.898 20 10 FFCDMM CCOC(=O)c1c(Cl)ccnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320938 1003109843 /nfs/dbraw/zinc/10/98/43/1003109843.db2.gz QLXDSVOEVGSINL-UHFFFAOYSA-N -1 1 350.758 2.618 20 10 FFCDMM O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccc(O)c([O-])c1Cl ZINC001193218507 1004406280 /nfs/dbraw/zinc/40/62/80/1004406280.db2.gz AREBOHAVSBZNCM-UHFFFAOYSA-N -1 1 371.740 2.930 20 10 FFCDMM CCOC(=O)[C@H](CNC(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1 ZINC001193247168 1004418235 /nfs/dbraw/zinc/41/82/35/1004418235.db2.gz NLGHVIPRJAZHKG-CYBMUJFWSA-N -1 1 363.797 2.828 20 10 FFCDMM C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193228976 1004429322 /nfs/dbraw/zinc/42/93/22/1004429322.db2.gz BVYXZAKUUNVDTM-VIFPVBQESA-N -1 1 373.796 2.864 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1ccc(Br)cc1 ZINC001202344835 1005336971 /nfs/dbraw/zinc/33/69/71/1005336971.db2.gz PJUVWDNTNMTIMU-UHFFFAOYSA-N -1 1 365.183 2.865 20 10 FFCDMM O=C(CC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1)NC1CCCC1 ZINC000825542354 1005693743 /nfs/dbraw/zinc/69/37/43/1005693743.db2.gz LJERPSIBEFDNHN-UHFFFAOYSA-N -1 1 364.417 2.538 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(c2nc(C3CCC3)no2)CC1 ZINC000881436814 1006097967 /nfs/dbraw/zinc/09/79/67/1006097967.db2.gz BINUSGNQYZUZLM-UHFFFAOYSA-N -1 1 361.373 2.907 20 10 FFCDMM CC[C@@H](CO)NC(=O)Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883066265 1006626508 /nfs/dbraw/zinc/62/65/08/1006626508.db2.gz QSIADZSVPBYGHZ-HNNXBMFYSA-N -1 1 364.392 2.712 20 10 FFCDMM COc1ccc(N2CC[C@H](CNC(=O)c3c(F)ccc(O)c3[O-])C2)cc1 ZINC000822371677 1008589686 /nfs/dbraw/zinc/58/96/86/1008589686.db2.gz YAEJSMAEPDUJRR-GFCCVEGCSA-N -1 1 360.385 2.502 20 10 FFCDMM CC(C)CN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl ZINC001274706634 1011603256 /nfs/dbraw/zinc/60/32/56/1011603256.db2.gz RANLYZLPWNLYFP-CHWSQXEVSA-N -1 1 366.845 2.613 20 10 FFCDMM CC[C@H](C)N1CC[C@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274706331 1011603429 /nfs/dbraw/zinc/60/34/29/1011603429.db2.gz NRQFRKGVCSFAJM-VOJFVSQTSA-N -1 1 366.845 2.614 20 10 FFCDMM CCCCN1CC[C@@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274707188 1011605888 /nfs/dbraw/zinc/60/58/88/1011605888.db2.gz ZRBMWZZHLOJTHY-SFHVURJKSA-N -1 1 366.845 2.758 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC1(C)C ZINC000900403237 1020404585 /nfs/dbraw/zinc/40/45/85/1020404585.db2.gz QUPBYLHTSKGFPS-LBPRGKRZSA-N -1 1 368.405 2.612 20 10 FFCDMM CC(C)(C)OC(=O)N1CC(C)(C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001159041366 1027243207 /nfs/dbraw/zinc/24/32/07/1027243207.db2.gz KCCWLFPKGJMRJK-UHFFFAOYSA-N -1 1 354.834 2.919 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCC[C@H]1c1nccs1 ZINC001155224783 1028633417 /nfs/dbraw/zinc/63/34/17/1028633417.db2.gz FTHDQMOWQJEWQD-NSHDSACASA-N -1 1 358.375 2.638 20 10 FFCDMM CC(=O)c1cccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c1C ZINC001155233080 1028638411 /nfs/dbraw/zinc/63/84/11/1028638411.db2.gz ZHLPDIKQQHHBOD-UHFFFAOYSA-N -1 1 353.330 2.968 20 10 FFCDMM O=C(Nc1ccccc1-c1ncc[nH]1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232709 1028638514 /nfs/dbraw/zinc/63/85/14/1028638514.db2.gz WBXVOLQHDRREQS-UHFFFAOYSA-N -1 1 363.329 2.847 20 10 FFCDMM O=C(NC[C@@H]1CCCC(F)(F)C1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235546 1028642128 /nfs/dbraw/zinc/64/21/28/1028642128.db2.gz OOZSISFHIATHCJ-SECBINFHSA-N -1 1 353.321 2.760 20 10 FFCDMM CCOCCOc1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783323645 1030033142 /nfs/dbraw/zinc/03/31/42/1030033142.db2.gz RPXWCYUZCJKGFK-UHFFFAOYSA-N -1 1 360.362 2.553 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001142512988 1030562198 /nfs/dbraw/zinc/56/21/98/1030562198.db2.gz RPXHTJCADABKDB-UHFFFAOYSA-N -1 1 364.396 2.594 20 10 FFCDMM O=C(NC1CCC1)[C@H]1CC12CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142517432 1030566657 /nfs/dbraw/zinc/56/66/57/1030566657.db2.gz MZAMWJNGJKVKFQ-CQSZACIVSA-N -1 1 350.409 2.941 20 10 FFCDMM Cn1nc(COCC2CC2)c2c1CCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142517696 1030567215 /nfs/dbraw/zinc/56/72/15/1030567215.db2.gz WXUIOZZGHUJNEJ-UHFFFAOYSA-N -1 1 363.408 2.889 20 10 FFCDMM Cc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784487602 1030648010 /nfs/dbraw/zinc/64/80/10/1030648010.db2.gz XRGMECZZHXPQNA-UHFFFAOYSA-N -1 1 359.334 2.971 20 10 FFCDMM CCC[C@@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)c1nn[n-]n1 ZINC000829802116 1033345910 /nfs/dbraw/zinc/34/59/10/1033345910.db2.gz XTSOMHUSLSYOBU-QGZVFWFLSA-N -1 1 352.442 2.807 20 10 FFCDMM COc1cccc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC001219442138 1033647719 /nfs/dbraw/zinc/64/77/19/1033647719.db2.gz DQQUHSRDTLALLR-UHFFFAOYSA-N -1 1 352.188 2.880 20 10 FFCDMM COc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1[N+](=O)[O-] ZINC001224176342 1033753954 /nfs/dbraw/zinc/75/39/54/1033753954.db2.gz FTSIOWVGIXWHAV-UHFFFAOYSA-N -1 1 365.773 2.962 20 10 FFCDMM CC(C)=CCN1C[C@@]2(F)CN(Cc3c([O-])ccc(F)c3F)C[C@@]2(F)C1=O ZINC001277098987 1034528704 /nfs/dbraw/zinc/52/87/04/1034528704.db2.gz XIYVBQSKDVKJEH-ZWKOTPCHSA-N -1 1 372.362 2.711 20 10 FFCDMM O=C(Cc1cc(F)ccc1O)NCc1cccc(Br)c1[O-] ZINC001139974514 1035294500 /nfs/dbraw/zinc/29/45/00/1035294500.db2.gz FUOHTEDPKMELNX-UHFFFAOYSA-N -1 1 354.175 2.858 20 10 FFCDMM C[C@@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2nnc(C(F)(F)F)n21 ZINC001232263778 1035535808 /nfs/dbraw/zinc/53/58/08/1035535808.db2.gz VXMSYXNQGZZNJG-SSDOTTSWSA-N -1 1 362.739 2.938 20 10 FFCDMM COc1cc(OC2CCN(C)CC2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227660827 1035659521 /nfs/dbraw/zinc/65/95/21/1035659521.db2.gz PKHOCOAYRBOKAP-UHFFFAOYSA-N -1 1 371.389 2.839 20 10 FFCDMM CCOC(=O)[C@H]1C[C@@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C1 ZINC001228111583 1035939934 /nfs/dbraw/zinc/93/99/34/1035939934.db2.gz VXJCWAQIGCEBJN-XBXGTLAGSA-N -1 1 372.373 2.755 20 10 FFCDMM CCOC(=O)C1CC(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C1 ZINC001228116217 1035944662 /nfs/dbraw/zinc/94/46/62/1035944662.db2.gz VXJCWAQIGCEBJN-UHFFFAOYSA-N -1 1 372.373 2.755 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCCO[C@@H](C)C2)c1 ZINC001233306396 1036512719 /nfs/dbraw/zinc/51/27/19/1036512719.db2.gz PKSXRFDQMRCFRP-JTQLQIEISA-N -1 1 358.232 2.552 20 10 FFCDMM COC[C@@H]1CCCCN1Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233306576 1036512820 /nfs/dbraw/zinc/51/28/20/1036512820.db2.gz VLCMTRBGOJISPH-ZDUSSCGKSA-N -1 1 372.259 2.942 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2c([O-])ccc(F)c2F)CCO1 ZINC001233332036 1036538224 /nfs/dbraw/zinc/53/82/24/1036538224.db2.gz VRYUKZHKLACDPM-GFCCVEGCSA-N -1 1 372.412 2.786 20 10 FFCDMM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1c([O-])ccc(F)c1F ZINC001233336401 1036543246 /nfs/dbraw/zinc/54/32/46/1036543246.db2.gz KJFJSEJUBJWXRL-ROUUACIJSA-N -1 1 363.360 2.786 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c(OC[C@H]3CCCCO3)cc([O-])c(O)c21 ZINC001229196815 1036547085 /nfs/dbraw/zinc/54/70/85/1036547085.db2.gz IJRQONOXKQCEJD-LLVKDONJSA-N -1 1 354.358 2.821 20 10 FFCDMM CCOC(=O)[C@@H](C)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)C(F)(F)F ZINC001234473657 1037052211 /nfs/dbraw/zinc/05/22/11/1037052211.db2.gz JUFITZVAKZGXDA-CPFSXVBKSA-N -1 1 350.289 2.809 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001234474587 1037054694 /nfs/dbraw/zinc/05/46/94/1037054694.db2.gz UJORCOOQOQUIJX-YCRPNKLZSA-N -1 1 371.433 2.969 20 10 FFCDMM O=C(NC1CCN(Cc2cc(F)cc(Br)c2[O-])CC1)C1CC1 ZINC001235302999 1037462036 /nfs/dbraw/zinc/46/20/36/1037462036.db2.gz YABSOGIXNUNIIS-UHFFFAOYSA-N -1 1 371.250 2.784 20 10 FFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231449918 1037587660 /nfs/dbraw/zinc/58/76/60/1037587660.db2.gz NRZGVQOSUUGPCA-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231449918 1037587668 /nfs/dbraw/zinc/58/76/68/1037587668.db2.gz NRZGVQOSUUGPCA-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1ccc(C(=O)[O-])cc1O ZINC001231452553 1037590683 /nfs/dbraw/zinc/59/06/83/1037590683.db2.gz QPIGWFONGLLXNB-HNNXBMFYSA-N -1 1 364.442 2.922 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2C[C@H](CO)CC(F)(F)C2)c1 ZINC001236662240 1038179761 /nfs/dbraw/zinc/17/97/61/1038179761.db2.gz AUUFAVMTMPXYRC-SNVBAGLBSA-N -1 1 350.203 2.913 20 10 FFCDMM COC[C@@H]1c2nnn(C)c2CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236789067 1038272097 /nfs/dbraw/zinc/27/20/97/1038272097.db2.gz BHLHTCJPMZBEQT-CYBMUJFWSA-N -1 1 357.241 2.573 20 10 FFCDMM COc1ccc(CN2CCCN(C(=O)C3CCC3)CC2)c([O-])c1Cl ZINC001236814789 1038288217 /nfs/dbraw/zinc/28/82/17/1038288217.db2.gz YXSBOWXGUUULTP-UHFFFAOYSA-N -1 1 352.862 2.889 20 10 FFCDMM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])N1N=C(c2ccc(F)cc2)CC1=O ZINC001245917144 1039148647 /nfs/dbraw/zinc/14/86/47/1039148647.db2.gz GCQGIRKCMMCYGA-IBGZPJMESA-N -1 1 372.352 2.849 20 10 FFCDMM Cc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1F ZINC001259220177 1039814518 /nfs/dbraw/zinc/81/45/18/1039814518.db2.gz YDRSWNVXZWKUTO-UHFFFAOYSA-N -1 1 359.762 2.992 20 10 FFCDMM O=c1ccc2cc(S(=O)(=O)Nc3cc(F)c([O-])cc3F)ccc2o1 ZINC001260453324 1040602456 /nfs/dbraw/zinc/60/24/56/1040602456.db2.gz YZZKUBHCXGFWAA-UHFFFAOYSA-N -1 1 353.302 2.578 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cc(Cl)cc(F)c2[O-])C[C@H]1O ZINC001237621611 1043277275 /nfs/dbraw/zinc/27/72/75/1043277275.db2.gz CXMKARWOLNJATE-ZIAGYGMSSA-N -1 1 374.840 2.645 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C[C@H]1O ZINC001237798442 1043366694 /nfs/dbraw/zinc/36/66/94/1043366694.db2.gz FNMIFIDDGOGTSQ-ZIAGYGMSSA-N -1 1 374.840 2.645 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001237948709 1043450748 /nfs/dbraw/zinc/45/07/48/1043450748.db2.gz GZTHRPKPFBSLBA-UHFFFAOYSA-N -1 1 357.216 2.950 20 10 FFCDMM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000848502460 1060185177 /nfs/dbraw/zinc/18/51/77/1060185177.db2.gz MWKLHUVFNAAYDV-IAQYHMDHSA-N -1 1 367.371 2.972 20 10 FFCDMM C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCC[N@H+]1Cc1c(O)ccc2ccncc21 ZINC000848502460 1060185196 /nfs/dbraw/zinc/18/51/96/1060185196.db2.gz MWKLHUVFNAAYDV-IAQYHMDHSA-N -1 1 367.371 2.972 20 10 FFCDMM CC(C)(C)OC(=O)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)(C)C ZINC000849947720 1060918093 /nfs/dbraw/zinc/91/80/93/1060918093.db2.gz NGQSINOPHIODNS-OAHLLOKOSA-N -1 1 366.410 2.828 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)cc1 ZINC000763235906 1061215554 /nfs/dbraw/zinc/21/55/54/1061215554.db2.gz TXOLOMSNBPCSOJ-MRXNPFEDSA-N -1 1 350.426 2.627 20 10 FFCDMM O=C(NCc1ccnc(-c2ccccn2)n1)NCc1cccc(Cl)c1[O-] ZINC001479186305 1062276835 /nfs/dbraw/zinc/27/68/35/1062276835.db2.gz NPPMKBKZBSYPQS-UHFFFAOYSA-N -1 1 369.812 2.897 20 10 FFCDMM C[C@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCO1 ZINC001479464599 1062436100 /nfs/dbraw/zinc/43/61/00/1062436100.db2.gz TVLMUTVESNYQBW-OAHLLOKOSA-N -1 1 357.248 2.913 20 10 FFCDMM Cc1cc2nc(NC(=O)NCc3cccc(Cl)c3[O-])cc(N(C)C)n2n1 ZINC001467078019 1063630512 /nfs/dbraw/zinc/63/05/12/1063630512.db2.gz SUSBIQDJNFGMDG-UHFFFAOYSA-N -1 1 374.832 2.784 20 10 FFCDMM Oc1c(CNc2nc(-c3nn[n-]n3)c(Cl)s2)ccc2cccnc21 ZINC001582814987 1079112761 /nfs/dbraw/zinc/11/27/61/1079112761.db2.gz XKVPJDAMPKTWBP-UHFFFAOYSA-N -1 1 359.802 2.843 20 10 FFCDMM C[C@@H](Nc1cccc([C@H]2CCC(=O)N2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984928 1080922444 /nfs/dbraw/zinc/92/24/44/1080922444.db2.gz XXSYHEVYEDSZNN-BDJLRTHQSA-N -1 1 364.409 2.697 20 10 FFCDMM C[C@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984931 1080922967 /nfs/dbraw/zinc/92/29/67/1080922967.db2.gz XXSYHEVYEDSZNN-ZBEGNZNMSA-N -1 1 364.409 2.697 20 10 FFCDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2C[C@@H]1C ZINC000028686518 507736318 /nfs/dbraw/zinc/73/63/18/507736318.db2.gz HNUZDVCLZLAJCX-NSHDSACASA-N -1 1 374.418 2.514 20 10 FFCDMM CC(C)c1cnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000266464070 510601538 /nfs/dbraw/zinc/60/15/38/510601538.db2.gz HMMUQZGPBFOTKR-UHFFFAOYSA-N -1 1 355.441 2.596 20 10 FFCDMM Cc1ccccc1C(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276637682 510944355 /nfs/dbraw/zinc/94/43/55/510944355.db2.gz UMIIHFSTIRRCTC-UHFFFAOYSA-N -1 1 372.396 2.580 20 10 FFCDMM CC(C)c1nnc(/C=C/C(=O)NCc2cccc(Br)c2[O-])o1 ZINC000277564370 510966137 /nfs/dbraw/zinc/96/61/37/510966137.db2.gz PTRLQGVEDSYQCU-VOTSOKGWSA-N -1 1 366.215 2.991 20 10 FFCDMM COCCC1(CNC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000277572347 510966194 /nfs/dbraw/zinc/96/61/94/510966194.db2.gz RSIJJBWEVJYDQU-UHFFFAOYSA-N -1 1 357.248 2.771 20 10 FFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC[C@H](c2nc(=O)[n-][nH]2)C1 ZINC000294153953 510973946 /nfs/dbraw/zinc/97/39/46/510973946.db2.gz BKMBIWMZCDLCNK-ZDUSSCGKSA-N -1 1 371.466 2.587 20 10 FFCDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1 ZINC000288421781 511073940 /nfs/dbraw/zinc/07/39/40/511073940.db2.gz HGIXQQCYWZHTOU-UHFFFAOYSA-N -1 1 369.464 2.685 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c1[O-] ZINC000289866904 511117815 /nfs/dbraw/zinc/11/78/15/511117815.db2.gz VQDVDPUFIZLHOD-KOLCDFICSA-N -1 1 368.739 2.947 20 10 FFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cn1 ZINC000290536696 511144415 /nfs/dbraw/zinc/14/44/15/511144415.db2.gz OUEYVLMGRQGKIF-UHFFFAOYSA-N -1 1 352.412 2.522 20 10 FFCDMM C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000367682945 512614187 /nfs/dbraw/zinc/61/41/87/512614187.db2.gz JAUIWYZBNJKYPJ-JKIFEVAISA-N -1 1 366.889 2.941 20 10 FFCDMM CN1CCC(N2C(=O)/C(=C\c3cccc(C(=O)[O-])c3)SC2=S)CC1 ZINC000820619937 598201231 /nfs/dbraw/zinc/20/12/31/598201231.db2.gz BBADOKQNABPXJA-GXDHUFHOSA-N -1 1 362.476 2.680 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccccc1F ZINC000739793613 600315688 /nfs/dbraw/zinc/31/56/88/600315688.db2.gz IIELGMQGWAFWHC-INIZCTEOSA-N -1 1 353.777 2.805 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccccc1F ZINC000739793613 600315690 /nfs/dbraw/zinc/31/56/90/600315690.db2.gz IIELGMQGWAFWHC-INIZCTEOSA-N -1 1 353.777 2.805 20 10 FFCDMM O=C([O-])NC1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 ZINC000834188672 605484465 /nfs/dbraw/zinc/48/44/65/605484465.db2.gz AARUHJXQPNTORT-UHFFFAOYSA-N -1 1 362.430 2.817 20 10 FFCDMM COc1cc(N(C)Cc2ccc(-c3nn[n-]n3)s2)cc(OC)c1OC ZINC000826180373 609174283 /nfs/dbraw/zinc/17/42/83/609174283.db2.gz DYRLAFMTWHGOAJ-UHFFFAOYSA-N -1 1 361.427 2.590 20 10 FFCDMM C[C@@H](Cc1cccnc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000898325199 735341659 /nfs/dbraw/zinc/34/16/59/735341659.db2.gz NYDSDLYYXHISHK-NSHDSACASA-N -1 1 364.243 2.980 20 10 FFCDMM O=S1(=O)Cc2ccccc2[C@@H](NCc2cc(Cl)cc(F)c2[O-])C1 ZINC000857058571 730376688 /nfs/dbraw/zinc/37/66/88/730376688.db2.gz QLGSJTSPKGLAMF-HNNXBMFYSA-N -1 1 355.818 2.944 20 10 FFCDMM CSc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1[N+](=O)[O-] ZINC000916608706 737715306 /nfs/dbraw/zinc/71/53/06/737715306.db2.gz FRXCADPVJFRBOA-UHFFFAOYSA-N -1 1 363.347 2.768 20 10 FFCDMM CCO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])[C@@]12CCCO2 ZINC000894191809 734815525 /nfs/dbraw/zinc/81/55/25/734815525.db2.gz DOLMGOMJOYDHBK-CPUCHLNUSA-N -1 1 354.834 2.571 20 10 FFCDMM COC[C@]1(CO)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894930720 734938919 /nfs/dbraw/zinc/93/89/19/734938919.db2.gz VOZZQXOURFDTFT-CQSZACIVSA-N -1 1 364.667 2.639 20 10 FFCDMM O=C1CC2(CCC2)N(Cc2cc(Br)cc(F)c2[O-])CCN1 ZINC000895926797 735074547 /nfs/dbraw/zinc/07/45/47/735074547.db2.gz GPYMXXHOJUOTGY-UHFFFAOYSA-N -1 1 357.223 2.538 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCO[C@H](C(=O)OC(C)(C)C)C2)c1[O-] ZINC000750055514 735768479 /nfs/dbraw/zinc/76/84/79/735768479.db2.gz CUZGCHOBIAWDJO-HNNXBMFYSA-N -1 1 369.845 2.791 20 10 FFCDMM Cc1ccccc1Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000761397293 736730337 /nfs/dbraw/zinc/73/03/37/736730337.db2.gz LSLSVUCYHVGHPY-UHFFFAOYSA-N -1 1 359.407 2.713 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000761995274 736780769 /nfs/dbraw/zinc/78/07/69/736780769.db2.gz JRIIJWMYOBHANK-UHFFFAOYSA-N -1 1 351.380 2.678 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000764804443 737051455 /nfs/dbraw/zinc/05/14/55/737051455.db2.gz IECYKAFNQOPTCZ-CMPLNLGQSA-N -1 1 357.248 2.769 20 10 FFCDMM CN(C)C(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764935459 737065183 /nfs/dbraw/zinc/06/51/83/737065183.db2.gz UNVYYINFLILERU-UHFFFAOYSA-N -1 1 350.216 2.864 20 10 FFCDMM CCn1cc(NC(=O)NCc2cccc(Br)c2[O-])ccc1=O ZINC000765260182 737101797 /nfs/dbraw/zinc/10/17/97/737101797.db2.gz SLRQKPYXFJBMDD-UHFFFAOYSA-N -1 1 366.215 2.658 20 10 FFCDMM Cc1cnccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000765540416 737131622 /nfs/dbraw/zinc/13/16/22/737131622.db2.gz IDHFKXSYQSXBDU-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM CSc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1C ZINC000765730493 737150144 /nfs/dbraw/zinc/15/01/44/737150144.db2.gz CEAXKERNZMPUNO-UHFFFAOYSA-N -1 1 356.245 2.540 20 10 FFCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C(F)F)n1 ZINC000765764117 737155936 /nfs/dbraw/zinc/15/59/36/737155936.db2.gz JNCHMCPFFGLOFZ-UHFFFAOYSA-N -1 1 360.158 2.756 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc(Cl)o3)no2)c1 ZINC000771419504 737725272 /nfs/dbraw/zinc/72/52/72/737725272.db2.gz NNJZLVIWVURTGX-UHFFFAOYSA-N -1 1 355.759 2.727 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2cccc3c2CCCC3)C(=O)[N-]C1=S ZINC000920976974 737937550 /nfs/dbraw/zinc/93/75/50/737937550.db2.gz UZGLPJUKWRRTTP-XNTDXEJSSA-N -1 1 357.479 2.761 20 10 FFCDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(C)c(O)c(C)c1C ZINC000775291186 738079666 /nfs/dbraw/zinc/07/96/66/738079666.db2.gz DLVBWKSBPYHKLR-UHFFFAOYSA-N -1 1 365.407 2.825 20 10 FFCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])ccc2F)c(C)c(C)c1O ZINC000775291932 738079769 /nfs/dbraw/zinc/07/97/69/738079769.db2.gz RUVGCJTVMFLYMO-UHFFFAOYSA-N -1 1 353.371 2.956 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)oc(=O)n2CC ZINC000790416061 739450730 /nfs/dbraw/zinc/45/07/30/739450730.db2.gz NSRNJPKTOQLVPP-UHFFFAOYSA-N -1 1 362.407 2.683 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N(C)C(C)=O)cc1 ZINC000792703298 739696041 /nfs/dbraw/zinc/69/60/41/739696041.db2.gz SXWPFVGWDRZSMK-UHFFFAOYSA-N -1 1 366.464 2.898 20 10 FFCDMM Cc1nn(CC(F)F)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000935663239 739990850 /nfs/dbraw/zinc/99/08/50/739990850.db2.gz PZQCVKFELPAHHM-UHFFFAOYSA-N -1 1 374.185 2.855 20 10 FFCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1OCC ZINC000797820153 740276255 /nfs/dbraw/zinc/27/62/55/740276255.db2.gz ITORYIHNJILMJH-UHFFFAOYSA-N -1 1 367.423 2.999 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1OC ZINC000799124140 740389326 /nfs/dbraw/zinc/38/93/26/740389326.db2.gz MCBNUPSVZJTFHO-UHFFFAOYSA-N -1 1 371.798 2.642 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2oc(=O)[nH]c2c1 ZINC000807416337 741133486 /nfs/dbraw/zinc/13/34/86/741133486.db2.gz CQEPAYGDXHCXQQ-UHFFFAOYSA-N -1 1 363.167 2.932 20 10 FFCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1F ZINC000808113776 741187834 /nfs/dbraw/zinc/18/78/34/741187834.db2.gz JAHFFSQQWJZXBN-UHFFFAOYSA-N -1 1 363.725 2.823 20 10 FFCDMM C[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816597694 742046014 /nfs/dbraw/zinc/04/60/14/742046014.db2.gz BSSPVRQCWIYYBN-JTQLQIEISA-N -1 1 352.793 2.907 20 10 FFCDMM CC(C)(C)OC(=O)C[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000826938265 743473786 /nfs/dbraw/zinc/47/37/86/743473786.db2.gz VCKJYJUJLHEZTR-LLVKDONJSA-N -1 1 353.390 2.821 20 10 FFCDMM C[C@H](COCC1CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000845586265 748287297 /nfs/dbraw/zinc/28/72/97/748287297.db2.gz PYENQAUVNHSWPU-SNVBAGLBSA-N -1 1 357.248 2.769 20 10 FFCDMM NC(=O)COc1ccc(NCc2cccc(Br)c2[O-])cc1 ZINC000048796137 845178695 /nfs/dbraw/zinc/17/86/95/845178695.db2.gz QYIZDKJFJXJOAB-UHFFFAOYSA-N -1 1 351.200 2.631 20 10 FFCDMM O=C([O-])C1CC2(C1)CC[C@H](C[NH2+]Cc1c([O-])cccc1Br)O2 ZINC001594906652 954681972 /nfs/dbraw/zinc/68/19/72/954681972.db2.gz YSLQGEIXJMSKAG-NOEPWBJOSA-N -1 1 370.243 2.657 20 10 FFCDMM CC1=CCC=C[C@H]1C(=O)N1CC2(CN(Cc3cc(F)c(F)cc3[O-])C2)C1 ZINC001279108751 964068555 /nfs/dbraw/zinc/06/85/55/964068555.db2.gz WNFGVJDTSAGXQN-OAHLLOKOSA-N -1 1 360.404 2.837 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@@H]2NC(C)(C)C(=O)N2CC2CCCCC2)c1 ZINC000877857466 1014751078 /nfs/dbraw/zinc/75/10/78/1014751078.db2.gz ROWPRVOXPVJDRO-QGZVFWFLSA-N -1 1 360.454 2.968 20 10 FFCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1cncc([O-])c1 ZINC000174596683 986255325 /nfs/dbraw/zinc/25/53/25/986255325.db2.gz USJKFKVCAVTGIV-CYBMUJFWSA-N -1 1 363.364 2.787 20 10 FFCDMM Oc1c(I)cccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001237778299 992710305 /nfs/dbraw/zinc/71/03/05/992710305.db2.gz WGUVVIZBSNUKGW-AWEZNQCLSA-N -1 1 359.207 2.752 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)NCC(C)(C)C(=O)[O-])C1 ZINC001591635029 992943990 /nfs/dbraw/zinc/94/39/90/992943990.db2.gz JMTGOVGQMWEVLP-UHFFFAOYSA-N -1 1 371.481 2.635 20 10 FFCDMM CC1CCN(c2ccc(CNC(=O)c3c(F)ccc(O)c3[O-])cn2)CC1 ZINC000789956738 1002237986 /nfs/dbraw/zinc/23/79/86/1002237986.db2.gz IDGYLZSKWPMTFK-UHFFFAOYSA-N -1 1 359.401 2.798 20 10 FFCDMM CC(=O)Nc1cc(C(F)(F)F)c(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170320514 1003108688 /nfs/dbraw/zinc/10/86/88/1003108688.db2.gz FBHITDFJONSDSF-UHFFFAOYSA-N -1 1 369.299 2.765 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@H](C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC001191466443 1003857589 /nfs/dbraw/zinc/85/75/89/1003857589.db2.gz QLVYTOPSOAPBHE-LBPRGKRZSA-N -1 1 369.437 2.644 20 10 FFCDMM Cc1[nH]c(=O)c(CNC(=O)c2ccc(O)c([O-])c2Cl)c2c1CCCC2 ZINC001193236583 1004412769 /nfs/dbraw/zinc/41/27/69/1004412769.db2.gz IOCYAVFZTPFVEO-UHFFFAOYSA-N -1 1 362.813 2.969 20 10 FFCDMM COc1cccc(-c2cc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)c[nH]2)c1 ZINC001193861748 1004602027 /nfs/dbraw/zinc/60/20/27/1004602027.db2.gz MHUUYXSXDIHHTD-UHFFFAOYSA-N -1 1 366.373 2.714 20 10 FFCDMM CCOc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001201536191 1005227435 /nfs/dbraw/zinc/22/74/35/1005227435.db2.gz CZMNQBPBZZZZKN-UHFFFAOYSA-N -1 1 369.370 2.517 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1C1CCOCC1 ZINC000850010493 1005777125 /nfs/dbraw/zinc/77/71/25/1005777125.db2.gz IKVQWUHHEABAKR-UHFFFAOYSA-N -1 1 373.405 2.907 20 10 FFCDMM COc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1OC(C)C ZINC000850322806 1005806282 /nfs/dbraw/zinc/80/62/82/1005806282.db2.gz IOXYDEBSYVSYDS-UHFFFAOYSA-N -1 1 360.362 2.933 20 10 FFCDMM Cc1oncc1S(=O)(=O)[N-][C@H]1c2c(c(C)cc(C)c2O)CC1(C)C ZINC001187422089 1006069152 /nfs/dbraw/zinc/06/91/52/1006069152.db2.gz GBWHQEIUQFMRKN-INIZCTEOSA-N -1 1 350.440 2.907 20 10 FFCDMM CC[C@H](CO)NC(=O)Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883066266 1006626156 /nfs/dbraw/zinc/62/61/56/1006626156.db2.gz QSIADZSVPBYGHZ-OAHLLOKOSA-N -1 1 364.392 2.712 20 10 FFCDMM CC(=O)N1CCN(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)CC1 ZINC000883201172 1006699500 /nfs/dbraw/zinc/69/95/00/1006699500.db2.gz ZLHMMMSZAOFWCE-UHFFFAOYSA-N -1 1 361.392 2.951 20 10 FFCDMM [O-]c1cccc(F)c1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001137837536 1033179833 /nfs/dbraw/zinc/17/98/33/1033179833.db2.gz KWAHOPOEBJRDNY-UHFFFAOYSA-N -1 1 362.352 2.724 20 10 FFCDMM COC(=O)[C@@]1(C)CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000759752446 1024765350 /nfs/dbraw/zinc/76/53/50/1024765350.db2.gz VHRNVOWIIRXOKK-NRFANRHFSA-N -1 1 369.417 2.714 20 10 FFCDMM COC(=O)[C@@]1(C)CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000759752446 1024765354 /nfs/dbraw/zinc/76/53/54/1024765354.db2.gz VHRNVOWIIRXOKK-NRFANRHFSA-N -1 1 369.417 2.714 20 10 FFCDMM O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1ccc([O-])c(F)c1 ZINC000837710832 1025977815 /nfs/dbraw/zinc/97/78/15/1025977815.db2.gz VONDIMXUKALCBH-UHFFFAOYSA-N -1 1 366.339 2.576 20 10 FFCDMM CCOC(=O)c1ccc2ncnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159277269 1027332536 /nfs/dbraw/zinc/33/25/36/1027332536.db2.gz SORWIJJCGKLGDP-UHFFFAOYSA-N -1 1 367.361 2.513 20 10 FFCDMM O=C(COCc1nc2ccccc2s1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782540637 1029738525 /nfs/dbraw/zinc/73/85/25/1029738525.db2.gz MKJWNQQXQNMTHI-UHFFFAOYSA-N -1 1 373.386 2.650 20 10 FFCDMM O=C(COc1ccccc1C(F)(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782746536 1029807065 /nfs/dbraw/zinc/80/70/65/1029807065.db2.gz CZCFXBXZELFNKA-UHFFFAOYSA-N -1 1 370.279 2.922 20 10 FFCDMM O=C(CCC(=O)c1ccc(F)cc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783078846 1029889801 /nfs/dbraw/zinc/88/98/01/1029889801.db2.gz AQINKOJNHYWPAP-UHFFFAOYSA-N -1 1 364.300 2.765 20 10 FFCDMM O=C(COC(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12)c1ccc([O-])c(O)c1 ZINC000783335104 1030037446 /nfs/dbraw/zinc/03/74/46/1030037446.db2.gz VKYFQNLNGCVNIZ-UHFFFAOYSA-N -1 1 356.290 2.527 20 10 FFCDMM C[C@H](CC(=O)c1cccc(F)c1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783888208 1030323460 /nfs/dbraw/zinc/32/34/60/1030323460.db2.gz JHHKFOQUUNTIHL-LLVKDONJSA-N -1 1 360.337 2.872 20 10 FFCDMM CNC(=O)c1ccc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cn1 ZINC001203637480 1030797837 /nfs/dbraw/zinc/79/78/37/1030797837.db2.gz TWNYUGNAGTUQKA-UHFFFAOYSA-N -1 1 373.368 2.666 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203648278 1030806201 /nfs/dbraw/zinc/80/62/01/1030806201.db2.gz HYDPLDRPMHNELO-KGLIPLIRSA-N -1 1 356.850 2.506 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000831494510 1034101536 /nfs/dbraw/zinc/10/15/36/1034101536.db2.gz BCHPPLFFWCCYKL-UHFFFAOYSA-N -1 1 366.339 2.868 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1ccc(Cl)cc1[O-] ZINC001140462648 1035484635 /nfs/dbraw/zinc/48/46/35/1035484635.db2.gz KJSALRMFGNDHSV-GASCZTMLSA-N -1 1 368.861 2.866 20 10 FFCDMM CCCCN1C[C@@]2(F)CN(Cc3cc(Cl)c([O-])cc3O)C[C@@]2(F)C1=O ZINC001277665164 1035690335 /nfs/dbraw/zinc/69/03/35/1035690335.db2.gz LAGOADYJVAHAHD-DLBZAZTESA-N -1 1 374.815 2.626 20 10 FFCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCC34COC4)c2)nc1C ZINC001232452452 1035696266 /nfs/dbraw/zinc/69/62/66/1035696266.db2.gz PSWDSQKWBWYGQT-UHFFFAOYSA-N -1 1 374.462 2.976 20 10 FFCDMM COC[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228194069 1035985147 /nfs/dbraw/zinc/98/51/47/1035985147.db2.gz ORZBMYJFDWUYDF-MGPLVRAMSA-N -1 1 360.362 2.924 20 10 FFCDMM CCN1CCC[C@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229197781 1036548362 /nfs/dbraw/zinc/54/83/62/1036548362.db2.gz QFDPWHFBWDNUMG-LBPRGKRZSA-N -1 1 367.401 2.736 20 10 FFCDMM O=C(c1cccnc1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419478 1036612666 /nfs/dbraw/zinc/61/26/66/1036612666.db2.gz ZIZHFNXNPNLAKD-UHFFFAOYSA-N -1 1 365.355 2.764 20 10 FFCDMM CC[C@@H](C)N1C[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387067 1036671856 /nfs/dbraw/zinc/67/18/56/1036671856.db2.gz DTLBAQWXAKMKOQ-KZULUSFZSA-N -1 1 370.852 2.787 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@@H]1C=CCCC1 ZINC001229787228 1036896329 /nfs/dbraw/zinc/89/63/29/1036896329.db2.gz SUCKDTXFWYGMBG-LLVKDONJSA-N -1 1 358.346 2.933 20 10 FFCDMM COC[C@H](C)OC[C@H](C)OC[C@@H](C)Oc1cc([O-])c(O)cc1C(C)=O ZINC001234473663 1037051821 /nfs/dbraw/zinc/05/18/21/1037051821.db2.gz JZQQDRVXZZTAQM-RWMBFGLXSA-N -1 1 356.415 2.524 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(c2ccccc2[N+](=O)[O-])C1 ZINC001234476211 1037053906 /nfs/dbraw/zinc/05/39/06/1037053906.db2.gz LTHCFXAUOPXFPC-LBPRGKRZSA-N -1 1 358.350 2.866 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001235058087 1037331513 /nfs/dbraw/zinc/33/15/13/1037331513.db2.gz VQDQNHRLSJRNQT-SCZZXKLOSA-N -1 1 372.156 2.896 20 10 FFCDMM NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454886 1037598061 /nfs/dbraw/zinc/59/80/61/1037598061.db2.gz JZEOIORHDVOJAT-MJGOQNOKSA-N -1 1 368.433 2.714 20 10 FFCDMM NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454886 1037598065 /nfs/dbraw/zinc/59/80/65/1037598065.db2.gz JZEOIORHDVOJAT-MJGOQNOKSA-N -1 1 368.433 2.714 20 10 FFCDMM O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2c(O)ccc(Cl)c2Cl)N1C1COC1 ZINC001277996414 1038186723 /nfs/dbraw/zinc/18/67/23/1038186723.db2.gz XCHPWZKJBYPKKS-ZIAGYGMSSA-N -1 1 371.264 2.663 20 10 FFCDMM COC(=O)[C@@H]1COCCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237085040 1038439855 /nfs/dbraw/zinc/43/98/55/1038439855.db2.gz SGWOPVTWDJVUBW-NSHDSACASA-N -1 1 360.237 2.711 20 10 FFCDMM Cc1cc2ncc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cn2n1 ZINC001251394621 1039109047 /nfs/dbraw/zinc/10/90/47/1039109047.db2.gz QOQACOOWJVHNEV-UHFFFAOYSA-N -1 1 373.221 2.851 20 10 FFCDMM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])n1[nH]c(CC2CCCC2)cc1=O ZINC001245931304 1039150452 /nfs/dbraw/zinc/15/04/52/1039150452.db2.gz FBBBLUKIRKRWRO-IBGZPJMESA-N -1 1 360.410 2.775 20 10 FFCDMM COc1ccc(CN2CCC[C@H](F)C2)c([O-])c1I ZINC001248490358 1040299261 /nfs/dbraw/zinc/29/92/61/1040299261.db2.gz ZGZRIRXIAYTCAH-JTQLQIEISA-N -1 1 365.186 2.939 20 10 FFCDMM C[S@](=O)Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001248580878 1040329925 /nfs/dbraw/zinc/32/99/25/1040329925.db2.gz BVXZGENECPZDLL-DEOSSOPVSA-N -1 1 366.870 2.924 20 10 FFCDMM CCN(C)C(=O)CO[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237623376 1043279831 /nfs/dbraw/zinc/27/98/31/1043279831.db2.gz CTXLTFPMYSGGAH-CQSZACIVSA-N -1 1 358.841 2.644 20 10 FFCDMM CCOC(=O)c1ncn2c1CN(Cc1cc(F)c(Cl)cc1[O-])CCC2 ZINC001237946318 1043451019 /nfs/dbraw/zinc/45/10/19/1043451019.db2.gz INSCOBMJCAFBKS-UHFFFAOYSA-N -1 1 367.808 2.964 20 10 FFCDMM CC(C)C[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCN1 ZINC001239096357 1044021070 /nfs/dbraw/zinc/02/10/70/1044021070.db2.gz HJKYILOWTOYKKQ-NSHDSACASA-N -1 1 367.298 2.708 20 10 FFCDMM Cc1cc(C(=O)NC2CCN(Cc3cc(Cl)cc(F)c3[O-])CC2)no1 ZINC001323443664 1045592367 /nfs/dbraw/zinc/59/23/67/1045592367.db2.gz GDMCVSAZCBLKGX-UHFFFAOYSA-N -1 1 367.808 2.876 20 10 FFCDMM O=C([O-])[C@@H](CC1CCOCC1)[NH2+]Cc1c([O-])cccc1Br ZINC001331994337 1048201612 /nfs/dbraw/zinc/20/16/12/1048201612.db2.gz ISQSREAHUQWZDR-CYBMUJFWSA-N -1 1 358.232 2.514 20 10 FFCDMM CNS(=O)(=O)c1cc(NCc2c([O-])ccc(Cl)c2F)ccc1F ZINC001308429901 1052455695 /nfs/dbraw/zinc/45/56/95/1052455695.db2.gz HNODEYUDVVCIOE-UHFFFAOYSA-N -1 1 362.785 2.844 20 10 FFCDMM Nc1ccc(CNC(=O)N2CCC(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC001335730608 1053528517 /nfs/dbraw/zinc/52/85/17/1053528517.db2.gz NGWAWFDINDEOEV-UHFFFAOYSA-N -1 1 353.422 2.779 20 10 FFCDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccc(N2CCC(C)CC2)cc1 ZINC001351179070 1056123295 /nfs/dbraw/zinc/12/32/95/1056123295.db2.gz ITUQULLMCCWVGF-UHFFFAOYSA-N -1 1 372.494 2.946 20 10 FFCDMM CSc1cc(F)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001452152318 1059190283 /nfs/dbraw/zinc/19/02/83/1059190283.db2.gz LLLJKSIJLIOZSI-UHFFFAOYSA-N -1 1 370.427 2.877 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(C)C)C(=O)[C@@H]2C)c1[O-] ZINC001473409361 1065259003 /nfs/dbraw/zinc/25/90/03/1065259003.db2.gz DUWWVOFWPOFDOU-LBPRGKRZSA-N -1 1 352.862 2.937 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001589271026 1080456691 /nfs/dbraw/zinc/45/66/91/1080456691.db2.gz LXUFRLNKERHNEB-ZWKOTPCHSA-N -1 1 373.380 2.740 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2C[C@@H](c3ccc(O)cc3)[C@H](C(=O)[O-])C2)c1[O-] ZINC001589271026 1080456692 /nfs/dbraw/zinc/45/66/92/1080456692.db2.gz LXUFRLNKERHNEB-ZWKOTPCHSA-N -1 1 373.380 2.740 20 10 FFCDMM CC(=O)c1cc(F)cc(CN2CCC(OC[C@@H]3CCOC3)CC2)c1O ZINC000131638891 508956504 /nfs/dbraw/zinc/95/65/04/508956504.db2.gz YUBIBMFGTOLQHU-CQSZACIVSA-N -1 1 351.418 2.751 20 10 FFCDMM [O-]c1c(Br)cc(Br)cc1CN1CC[C@@H](CO)C1 ZINC000179953954 509687938 /nfs/dbraw/zinc/68/79/38/509687938.db2.gz SZBXXPYMKDWNHQ-MRVPVSSYSA-N -1 1 365.065 2.731 20 10 FFCDMM O=C(Nc1ccccc1)NC1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276575859 510943089 /nfs/dbraw/zinc/94/30/89/510943089.db2.gz NTBUKTNEWWANCL-UHFFFAOYSA-N -1 1 373.384 2.663 20 10 FFCDMM CC(C)(CO)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277758949 510972276 /nfs/dbraw/zinc/97/22/76/510972276.db2.gz OJAXWDVHEOKVBA-UHFFFAOYSA-N -1 1 359.264 2.753 20 10 FFCDMM COc1c([O-])c(CN2CCn3c(C(C)C)nnc3[C@@H]2C)ccc1[N+](=O)[O-] ZINC000364617171 510974214 /nfs/dbraw/zinc/97/42/14/510974214.db2.gz YMNSMOAWVADBCR-NSHDSACASA-N -1 1 361.402 2.601 20 10 FFCDMM CCCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000288128906 511066048 /nfs/dbraw/zinc/06/60/48/511066048.db2.gz AQUQRQLDRUADEC-UHFFFAOYSA-N -1 1 369.464 2.685 20 10 FFCDMM CC1(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)CCCC1 ZINC000289052607 511092078 /nfs/dbraw/zinc/09/20/78/511092078.db2.gz HRENOCPZUFLBQY-UHFFFAOYSA-N -1 1 351.428 2.937 20 10 FFCDMM C[C@@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295259256 511339873 /nfs/dbraw/zinc/33/98/73/511339873.db2.gz DCAOABPCAIGCPF-JTQLQIEISA-N -1 1 356.394 2.660 20 10 FFCDMM C[C@@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000367682946 512613878 /nfs/dbraw/zinc/61/38/78/512613878.db2.gz JAUIWYZBNJKYPJ-KEYYUXOJSA-N -1 1 366.889 2.941 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)cc1F ZINC000739793259 600315406 /nfs/dbraw/zinc/31/54/06/600315406.db2.gz DGGLHASEDFKHMA-INIZCTEOSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)cc1F ZINC000739793259 600315409 /nfs/dbraw/zinc/31/54/09/600315409.db2.gz DGGLHASEDFKHMA-INIZCTEOSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833193564 604468054 /nfs/dbraw/zinc/46/80/54/604468054.db2.gz BKWYKQPEKFVKBC-HNNXBMFYSA-N -1 1 362.769 2.965 20 10 FFCDMM C[C@@H](NC(=O)[O-])[C@@H]1CCC[N@@H+](Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000833814119 605597683 /nfs/dbraw/zinc/59/76/83/605597683.db2.gz RMFNNXQLHJFBTC-NXEZZACHSA-N -1 1 357.794 2.822 20 10 FFCDMM CCC[C@@H](C)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000743628352 735310772 /nfs/dbraw/zinc/31/07/72/735310772.db2.gz QAYSDLCQIIRJCG-SNVBAGLBSA-N -1 1 366.443 2.643 20 10 FFCDMM Cc1ccc(Cl)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000092604236 728469226 /nfs/dbraw/zinc/46/92/26/728469226.db2.gz XZYRHNRWXDDPBR-UHFFFAOYSA-N -1 1 354.815 2.978 20 10 FFCDMM Cc1cn2c(n1)C[C@H](C(=O)NCc1cccc(Br)c1[O-])CC2 ZINC000861332715 730599526 /nfs/dbraw/zinc/59/95/26/730599526.db2.gz RHTCONVCDUJYLM-LLVKDONJSA-N -1 1 364.243 2.538 20 10 FFCDMM CS(=O)(=O)c1ccc([C@H]2CN(Cc3cccc(F)c3[O-])CCO2)cc1 ZINC000862439261 730702549 /nfs/dbraw/zinc/70/25/49/730702549.db2.gz RISIDBBOEKKYJF-QGZVFWFLSA-N -1 1 365.426 2.508 20 10 FFCDMM CCOC1CC2(C[C@H]2C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000867831432 731231636 /nfs/dbraw/zinc/23/16/36/731231636.db2.gz YROCKXANVMPAFO-BGMSHATGSA-N -1 1 354.244 2.976 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCCn2nccc21 ZINC000869218378 731376148 /nfs/dbraw/zinc/37/61/48/731376148.db2.gz MCPKUDVFZQXUJP-GFCCVEGCSA-N -1 1 365.231 2.686 20 10 FFCDMM COc1c([O-])c(CN[C@@H](C(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000775053426 738057517 /nfs/dbraw/zinc/05/75/17/738057517.db2.gz XMGOZLGROWQXBO-CYBMUJFWSA-N -1 1 354.403 2.765 20 10 FFCDMM CCc1nsc(N2CCCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC000876797165 732282184 /nfs/dbraw/zinc/28/21/84/732282184.db2.gz NUOCZJQFTLNNNK-UHFFFAOYSA-N -1 1 354.426 2.797 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H]([C@@H]3CCCO3)C2)c1 ZINC000781910352 738671578 /nfs/dbraw/zinc/67/15/78/738671578.db2.gz UPZNCTKCGAIAEC-LSDHHAIUSA-N -1 1 356.260 2.843 20 10 FFCDMM O=C(COC(=O)c1ccc(SCCCO)cc1)c1ccc([O-])c(O)c1 ZINC000783706967 738828008 /nfs/dbraw/zinc/82/80/08/738828008.db2.gz IARIRUXJJZEQIN-UHFFFAOYSA-N -1 1 362.403 2.612 20 10 FFCDMM O=C(NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1)C1CC1 ZINC000893918771 734771566 /nfs/dbraw/zinc/77/15/66/734771566.db2.gz FTERIAGXPKYELA-UHFFFAOYSA-N -1 1 371.250 2.784 20 10 FFCDMM Cn1cc(C[C@H]2CCC[C@H]2NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000895808844 735058042 /nfs/dbraw/zinc/05/80/42/735058042.db2.gz UFYNSRONKXOQJM-CZUORRHYSA-N -1 1 362.861 2.990 20 10 FFCDMM Cn1nc(C(F)(F)F)cc1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000896666750 735179008 /nfs/dbraw/zinc/17/90/08/735179008.db2.gz SGCVUTIXMNWYOR-UHFFFAOYSA-N -1 1 362.739 2.797 20 10 FFCDMM CCC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccc(O)c(C)c3)cc21 ZINC000901907257 735865662 /nfs/dbraw/zinc/86/56/62/735865662.db2.gz IXQAULMQKROHJR-UHFFFAOYSA-N -1 1 360.435 2.801 20 10 FFCDMM Cc1cc2cccnc2c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000757654265 736416493 /nfs/dbraw/zinc/41/64/93/736416493.db2.gz FPPKZOZWRMLMOB-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM O=C([O-])c1cc(NS(=O)(=O)c2ccc(Cl)nc2Cl)ccc1O ZINC000757656953 736417068 /nfs/dbraw/zinc/41/70/68/736417068.db2.gz QLKIMUNTRABQHL-UHFFFAOYSA-N -1 1 363.178 2.593 20 10 FFCDMM Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c(F)c1 ZINC000763314271 736926938 /nfs/dbraw/zinc/92/69/38/736926938.db2.gz VSAWFUASHQHQQV-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM Cc1cnc(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000764792594 737050015 /nfs/dbraw/zinc/05/00/15/737050015.db2.gz WFLWTUCWHCJYEV-UHFFFAOYSA-N -1 1 356.245 2.919 20 10 FFCDMM O=C(NCCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000765443261 737119637 /nfs/dbraw/zinc/11/96/37/737119637.db2.gz ANQWBBHSRUJOED-UHFFFAOYSA-N -1 1 350.216 2.592 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2ccnn2)cc1 ZINC000765727823 737149473 /nfs/dbraw/zinc/14/94/73/737149473.db2.gz PIKAJKXKZXSHAI-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM C[C@H](CC(=O)[O-])CC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369110 737195482 /nfs/dbraw/zinc/19/54/82/737195482.db2.gz NFKNGBXIBOVERP-WFASDCNBSA-N -1 1 368.861 2.627 20 10 FFCDMM COc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200842 737206500 /nfs/dbraw/zinc/20/65/00/737206500.db2.gz OPDDBXRJTYIVGR-UHFFFAOYSA-N -1 1 372.240 2.642 20 10 FFCDMM CSc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769646084 737549849 /nfs/dbraw/zinc/54/98/49/737549849.db2.gz AROWETMTDNBUMO-UHFFFAOYSA-N -1 1 352.437 2.738 20 10 FFCDMM O=C(Cc1ccc(Br)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916589610 737713434 /nfs/dbraw/zinc/71/34/34/737713434.db2.gz WGRNWOFRHYEJMX-UHFFFAOYSA-N -1 1 365.179 2.829 20 10 FFCDMM CCC[C@H](NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979194 737937408 /nfs/dbraw/zinc/93/74/08/737937408.db2.gz AMTQYVONBIEXBD-SFKKXYGYSA-N -1 1 359.495 2.901 20 10 FFCDMM CCOC(=O)[C@H](CC)N(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000775100170 738061778 /nfs/dbraw/zinc/06/17/78/738061778.db2.gz BAHUSRPDVPMMQB-ZDUSSCGKSA-N -1 1 352.387 2.615 20 10 FFCDMM O=C(COc1ccc(F)c(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000775233505 738075241 /nfs/dbraw/zinc/07/52/41/738075241.db2.gz FMBGSXSUCVRODA-UHFFFAOYSA-N -1 1 354.717 2.695 20 10 FFCDMM CN(C)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Cl)c1 ZINC000784603545 738907161 /nfs/dbraw/zinc/90/71/61/738907161.db2.gz VOPRILGQSRHRJS-QGZVFWFLSA-N -1 1 363.797 2.780 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C[C@@H]2CCOC2)c1[O-] ZINC000933670144 739670274 /nfs/dbraw/zinc/67/02/74/739670274.db2.gz HYXNZPFDZBCJIX-BBRMVZONSA-N -1 1 353.846 2.876 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCCS(=O)(=O)C[C@@H]2C2CC2)c1[O-] ZINC000933923042 739706410 /nfs/dbraw/zinc/70/64/10/739706410.db2.gz MNNOLDVXEJEDJS-MRXNPFEDSA-N -1 1 371.886 2.647 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnn1C1CCOCC1 ZINC000934613619 739814071 /nfs/dbraw/zinc/81/40/71/739814071.db2.gz ZFNWZFDYZAGJEU-UHFFFAOYSA-N -1 1 350.806 2.915 20 10 FFCDMM COc1ccc(CNC(=O)c2ccc(Br)c([O-])c2)c(O)c1 ZINC000794377987 739884718 /nfs/dbraw/zinc/88/47/18/739884718.db2.gz ONYLKZHIMQIWJS-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1[nH]nnc1-c1ccccc1 ZINC000797759741 740271115 /nfs/dbraw/zinc/27/11/15/740271115.db2.gz LBKIGNSCBMKIHA-UHFFFAOYSA-N -1 1 373.210 2.870 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(C)cc2C)ccc1O ZINC000797819275 740275848 /nfs/dbraw/zinc/27/58/48/740275848.db2.gz CSIFTRXJSKFYEA-UHFFFAOYSA-N -1 1 352.368 2.727 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCc3sccc32)c1 ZINC000798046378 740300654 /nfs/dbraw/zinc/30/06/54/740300654.db2.gz IVBAKSSAZVOWJT-UHFFFAOYSA-N -1 1 366.464 2.808 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Cl)cc(C(N)=O)c1 ZINC000799124382 740389366 /nfs/dbraw/zinc/38/93/66/740389366.db2.gz SOTMKLFXSXBAPL-UHFFFAOYSA-N -1 1 354.815 2.508 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H](C(=O)C3CC3)C2)c1 ZINC000811502140 741530666 /nfs/dbraw/zinc/53/06/66/741530666.db2.gz LDDWDJGDRDLFSH-AWEZNQCLSA-N -1 1 354.244 2.643 20 10 FFCDMM COc1ccc(NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1Cl ZINC000814314900 741810891 /nfs/dbraw/zinc/81/08/91/741810891.db2.gz LBCXPNCGZYGFJY-YRNVUSSQSA-N -1 1 367.858 2.544 20 10 FFCDMM CS(=O)(=O)NCc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816527526 742038600 /nfs/dbraw/zinc/03/86/00/742038600.db2.gz NSVKIXYEIAUINE-UHFFFAOYSA-N -1 1 358.822 2.846 20 10 FFCDMM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)C1=CC(=O)CS1)C(F)(F)F ZINC000817770158 742210247 /nfs/dbraw/zinc/21/02/47/742210247.db2.gz GDNBTWYWFJXATC-SNVBAGLBSA-N -1 1 370.352 2.704 20 10 FFCDMM CCOC(=O)c1sc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])nc1C ZINC000826854633 743456909 /nfs/dbraw/zinc/45/69/09/743456909.db2.gz OOKKISUCUCARJW-MRVPVSSYSA-N -1 1 368.386 2.670 20 10 FFCDMM COc1c([O-])c(CN2C[C@@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000827785418 744977196 /nfs/dbraw/zinc/97/71/96/744977196.db2.gz BTTHZFMGPKIWTJ-KOLCDFICSA-N -1 1 364.320 2.851 20 10 FFCDMM CC[C@H](C)[C@H](NC(=O)OC)C(=O)NCc1cccc(Br)c1[O-] ZINC000830530278 745375864 /nfs/dbraw/zinc/37/58/64/745375864.db2.gz YLNAMMBRWTZGIP-CABZTGNLSA-N -1 1 373.247 2.542 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC3(CCC3)S(=O)(=O)CC2)c1[O-] ZINC000839657087 746883587 /nfs/dbraw/zinc/88/35/87/746883587.db2.gz DIENAEDFRJUXGA-UHFFFAOYSA-N -1 1 371.886 2.791 20 10 FFCDMM C[C@@H](COCC1CC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000845586264 748287541 /nfs/dbraw/zinc/28/75/41/748287541.db2.gz PYENQAUVNHSWPU-JTQLQIEISA-N -1 1 357.248 2.769 20 10 FFCDMM Cc1ccc(Nc2ccccc2NC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000060863112 845433379 /nfs/dbraw/zinc/43/33/79/845433379.db2.gz BUQOHLRSQQCXLG-UHFFFAOYSA-N -1 1 352.419 2.565 20 10 FFCDMM CCCN(CC(=O)[O-])C(=O)Cn1c2ccccc2c2c1CC[N@@H+](C(C)C)C2 ZINC001589664791 949881798 /nfs/dbraw/zinc/88/17/98/949881798.db2.gz RGJIKNNTUIWWOO-UHFFFAOYSA-N -1 1 371.481 2.731 20 10 FFCDMM CCCN(CC(=O)[O-])C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC001589664791 949881819 /nfs/dbraw/zinc/88/18/19/949881819.db2.gz RGJIKNNTUIWWOO-UHFFFAOYSA-N -1 1 371.481 2.731 20 10 FFCDMM O=C1N(CC2CCOCC2)CC[C@]12CCC[N@H+]2Cc1cccc(F)c1O ZINC001276086731 1013427034 /nfs/dbraw/zinc/42/70/34/1013427034.db2.gz SYRBTBZELJBOCC-HXUWFJFHSA-N -1 1 362.445 2.525 20 10 FFCDMM CC1CCN(c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cn2)CC1 ZINC000783410139 964665492 /nfs/dbraw/zinc/66/54/92/964665492.db2.gz NISBVQOIZRFMJZ-UHFFFAOYSA-N -1 1 370.405 2.769 20 10 FFCDMM O=C(CCc1ncc(-c2ccccc2)o1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177032025 1013834720 /nfs/dbraw/zinc/83/47/20/1013834720.db2.gz HUODOKARKIXEEX-UHFFFAOYSA-N -1 1 366.373 2.685 20 10 FFCDMM O=C(CCCCC(=O)c1ccccc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001143530844 976982449 /nfs/dbraw/zinc/98/24/49/976982449.db2.gz TWLHOEZWQOQWIL-UHFFFAOYSA-N -1 1 355.390 2.840 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000877578485 1014633249 /nfs/dbraw/zinc/63/32/49/1014633249.db2.gz GCRXLOWTHMOLOQ-CYBMUJFWSA-N -1 1 372.412 2.786 20 10 FFCDMM CC(C)N(C)Cc1nnc2n1CCCN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001142520507 982527010 /nfs/dbraw/zinc/52/70/10/982527010.db2.gz KZVRFTAGHYOSJF-UHFFFAOYSA-N -1 1 365.428 2.508 20 10 FFCDMM CCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OCC ZINC000916590254 989831627 /nfs/dbraw/zinc/83/16/27/989831627.db2.gz SNCPNDVIJLULRB-UHFFFAOYSA-N -1 1 360.362 2.935 20 10 FFCDMM COc1cccc([C@H](NCc2cc(F)c(N(C)C)cc2F)C(=O)[O-])c1 ZINC001599688019 991019015 /nfs/dbraw/zinc/01/90/15/991019015.db2.gz LWKXLXPRWLGTDC-KRWDZBQOSA-N -1 1 350.365 2.955 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(N2CCOCC2)cc1 ZINC000809628080 994560417 /nfs/dbraw/zinc/56/04/17/994560417.db2.gz CMOSHEQMSMKUAX-GFCCVEGCSA-N -1 1 362.376 2.998 20 10 FFCDMM C[C@@H]1C[C@@H](c2ccccc2F)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250344 1000244621 /nfs/dbraw/zinc/24/46/21/1000244621.db2.gz ZHZLRJCNRHPSNN-BZNIZROVSA-N -1 1 370.384 2.855 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000790071519 1002265291 /nfs/dbraw/zinc/26/52/91/1002265291.db2.gz WOZCEOZQDUSHSE-MRVPVSSYSA-N -1 1 361.304 2.917 20 10 FFCDMM O=C(CNc1c2c(ccc1Br)OCO2)c1ccc([O-])c(O)c1 ZINC001170314909 1003104724 /nfs/dbraw/zinc/10/47/24/1003104724.db2.gz KNMNOHVRZNIXDP-UHFFFAOYSA-N -1 1 366.167 2.884 20 10 FFCDMM COC(=O)c1cc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)on1 ZINC001170321639 1003109609 /nfs/dbraw/zinc/10/96/09/1003109609.db2.gz BCZFTNJUQQVADF-UHFFFAOYSA-N -1 1 368.345 2.834 20 10 FFCDMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(O)c4ccccc34)ccc2N1 ZINC001186927885 1003475704 /nfs/dbraw/zinc/47/57/04/1003475704.db2.gz RXUKNWKOEGTELJ-UHFFFAOYSA-N -1 1 354.387 2.841 20 10 FFCDMM O=[P@]([O-])(O)CCNS(=O)(=O)c1ccc(/N=N/c2ccccc2)cc1 ZINC001197186297 1004097395 /nfs/dbraw/zinc/09/73/95/1004097395.db2.gz BQPYLDLICSKIGK-WUKNDPDISA-N -1 1 369.339 2.558 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)ccc1O ZINC001192264929 1004109880 /nfs/dbraw/zinc/10/98/80/1004109880.db2.gz KDNMZCOLTRGGGB-UHFFFAOYSA-N -1 1 361.379 2.560 20 10 FFCDMM O=C(Nc1nnc(Br)s1)c1ccc(O)c([O-])c1Cl ZINC001193210424 1004403361 /nfs/dbraw/zinc/40/33/61/1004403361.db2.gz ZEKMGYOFGMHYTL-UHFFFAOYSA-N -1 1 350.581 2.618 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCO[C@@H](COc2ccccc2)C1 ZINC001193232947 1004413071 /nfs/dbraw/zinc/41/30/71/1004413071.db2.gz RPARPUHGBRTSJG-CYBMUJFWSA-N -1 1 363.797 2.671 20 10 FFCDMM O=C(NCC1(c2ccncc2)CCOCC1)c1ccc(O)c([O-])c1Cl ZINC001193247099 1004418062 /nfs/dbraw/zinc/41/80/62/1004418062.db2.gz KVHSEOCLZYGKRQ-UHFFFAOYSA-N -1 1 362.813 2.624 20 10 FFCDMM COC(=O)c1c2[nH]ncc2ccc1NC(=O)c1cc(O)c([O-])c(Cl)c1 ZINC001193626135 1004527885 /nfs/dbraw/zinc/52/78/85/1004527885.db2.gz VLHLKKVXNYJYDK-UHFFFAOYSA-N -1 1 361.741 2.666 20 10 FFCDMM O=C(CNC(=O)c1cccn1Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC001199780190 1005026513 /nfs/dbraw/zinc/02/65/13/1005026513.db2.gz WENSDEJEBAPDAS-UHFFFAOYSA-N -1 1 350.374 2.560 20 10 FFCDMM C[C@]12COC[C@H]1C[N@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567101 1006448058 /nfs/dbraw/zinc/44/80/58/1006448058.db2.gz SXOGSLAEULALFA-VFNWGFHPSA-N -1 1 353.418 2.797 20 10 FFCDMM C[C@]12COC[C@H]1C[N@@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567101 1006448064 /nfs/dbraw/zinc/44/80/64/1006448064.db2.gz SXOGSLAEULALFA-VFNWGFHPSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(CNC(=O)c1ccc(Oc2cccnc2)cc1)c1ccc([O-])c(O)c1 ZINC001188623163 1006661215 /nfs/dbraw/zinc/66/12/15/1006661215.db2.gz CXFBAMXFNHUQQY-UHFFFAOYSA-N -1 1 364.357 2.898 20 10 FFCDMM O=C(N[C@H]1CC=CCC1)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152611005 1032203287 /nfs/dbraw/zinc/20/32/87/1032203287.db2.gz HQZNJZBKJQDPBA-LBPRGKRZSA-N -1 1 363.369 2.712 20 10 FFCDMM CCCNC(=O)[C@@H]1CN(Cc2cc(F)cc(F)c2[O-])c2ccccc2O1 ZINC001181090544 1009964592 /nfs/dbraw/zinc/96/45/92/1009964592.db2.gz XSZRVTNHPODOCD-KRWDZBQOSA-N -1 1 362.376 2.964 20 10 FFCDMM CC[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl ZINC001274705998 1011603568 /nfs/dbraw/zinc/60/35/68/1011603568.db2.gz JDALZJRXITUQOH-RAIGVLPGSA-N -1 1 366.845 2.755 20 10 FFCDMM Cc1cncc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)c1 ZINC001217056807 1032599107 /nfs/dbraw/zinc/59/91/07/1032599107.db2.gz QXWPJWSSIPKASJ-UHFFFAOYSA-N -1 1 352.394 2.645 20 10 FFCDMM CCO[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1Oc1ccccc1 ZINC000828862705 1032876539 /nfs/dbraw/zinc/87/65/39/1032876539.db2.gz XPQRQPASXUQERU-JOQOYGCGSA-N -1 1 361.369 2.592 20 10 FFCDMM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000829083655 1032996392 /nfs/dbraw/zinc/99/63/92/1032996392.db2.gz VYWNZEWZZLPOPQ-CMPLNLGQSA-N -1 1 368.405 2.612 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1cncc2c1CCCC2 ZINC001121152737 1023627624 /nfs/dbraw/zinc/62/76/24/1023627624.db2.gz XTXUZEOOAVMUDE-UHFFFAOYSA-N -1 1 359.813 2.574 20 10 FFCDMM O=C(CNc1ccc(-c2ccc([N+](=O)[O-])cc2)nn1)c1ccc([O-])c(O)c1 ZINC001159278951 1027333015 /nfs/dbraw/zinc/33/30/15/1027333015.db2.gz GSTZTAPJHWGAJK-UHFFFAOYSA-N -1 1 366.333 2.758 20 10 FFCDMM O=C(CNc1nc(Cl)nc2ccc([N+](=O)[O-])cc21)c1ccc([O-])c(O)c1 ZINC001159276787 1027333181 /nfs/dbraw/zinc/33/31/81/1027333181.db2.gz LXKWSFKWACSYPL-UHFFFAOYSA-N -1 1 374.740 2.897 20 10 FFCDMM O=C(CNc1ncnc2[nH]c3cc(F)ccc3c21)c1ccc([O-])c(O)c1 ZINC001159280105 1027336357 /nfs/dbraw/zinc/33/63/57/1027336357.db2.gz AAUFVWGXIXHOBP-UHFFFAOYSA-N -1 1 352.325 2.956 20 10 FFCDMM O=C(Nc1cccc2c(O)nccc12)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227598 1028635659 /nfs/dbraw/zinc/63/56/59/1028635659.db2.gz BJOQUUXPHGVJNC-UHFFFAOYSA-N -1 1 364.313 2.710 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1ccc(C)cc1 ZINC000782307217 1029649994 /nfs/dbraw/zinc/64/99/94/1029649994.db2.gz UTZUUAUEJPXDET-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM O=C(COC(=O)[C@@H]1COCC[C@@H]1c1ccccc1)c1ccc([O-])c(O)c1 ZINC000842132586 1030613905 /nfs/dbraw/zinc/61/39/05/1030613905.db2.gz GKUCOMITLTWXFX-HZPDHXFCSA-N -1 1 356.374 2.644 20 10 FFCDMM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001203575242 1030769554 /nfs/dbraw/zinc/76/95/54/1030769554.db2.gz HOZOBJIUXXJKMS-MCIONIFRSA-N -1 1 359.253 2.519 20 10 FFCDMM CN(C)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001203575242 1030769571 /nfs/dbraw/zinc/76/95/71/1030769571.db2.gz HOZOBJIUXXJKMS-MCIONIFRSA-N -1 1 359.253 2.519 20 10 FFCDMM O=C(c1ccc2cccnc2c1[O-])N1CCCc2cc(O)c(O)cc2C1 ZINC001149319844 1031483548 /nfs/dbraw/zinc/48/35/48/1031483548.db2.gz HTTMCYDGCRIYKZ-UHFFFAOYSA-N -1 1 350.374 2.940 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829817193 1033352882 /nfs/dbraw/zinc/35/28/82/1033352882.db2.gz KXQVKRGALZVTDP-WDEREUQCSA-N -1 1 368.405 2.803 20 10 FFCDMM CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1Cc1cccc(F)c1[O-] ZINC001138124849 1033803898 /nfs/dbraw/zinc/80/38/98/1033803898.db2.gz AKTAAWPLGZHTDX-QGZVFWFLSA-N -1 1 360.433 2.544 20 10 FFCDMM COC(=O)[C@@H]1CC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227581252 1035618788 /nfs/dbraw/zinc/61/87/88/1035618788.db2.gz XZEHWUYBMLCZFF-NEPJUHHUSA-N -1 1 366.369 2.888 20 10 FFCDMM CC1=C(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C(=O)O[C@H]1C ZINC001228110793 1035937351 /nfs/dbraw/zinc/93/73/51/1035937351.db2.gz MBCGBYZCOLIMIY-JTQLQIEISA-N -1 1 356.330 2.633 20 10 FFCDMM C[C@H]1COC[C@@H]1Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228186566 1035981033 /nfs/dbraw/zinc/98/10/33/1035981033.db2.gz SBYRDQQCERWBQK-AXXDXXKNSA-N -1 1 372.373 2.924 20 10 FFCDMM COc1ccc(N2CCN(Cc3cc(Cl)ncc3[O-])CC2)c(OC)c1 ZINC001233038637 1036281859 /nfs/dbraw/zinc/28/18/59/1036281859.db2.gz XUEGSNDJHYBAHW-UHFFFAOYSA-N -1 1 363.845 2.780 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC3(C2)CCCOC3)c1 ZINC001233306466 1036511649 /nfs/dbraw/zinc/51/16/49/1036511649.db2.gz REHMWTFIKAHUFL-UHFFFAOYSA-N -1 1 370.243 2.554 20 10 FFCDMM COC[C@H]1CCCCN1Cc1cc(C(=O)OC)cc(Br)c1[O-] ZINC001233306575 1036511785 /nfs/dbraw/zinc/51/17/85/1036511785.db2.gz VLCMTRBGOJISPH-CYBMUJFWSA-N -1 1 372.259 2.942 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCCn2nnc(COCC3CC3)c2C1 ZINC001233333271 1036538514 /nfs/dbraw/zinc/53/85/14/1036538514.db2.gz PYTQFLIQFNKPGA-UHFFFAOYSA-N -1 1 364.396 2.594 20 10 FFCDMM O=C1c2cccc(O[C@@H]3CCc4[nH+]ccn4C3)c2C(=O)c2cccc(O)c21 ZINC001229192387 1036543607 /nfs/dbraw/zinc/54/36/07/1036543607.db2.gz LCNFKXIOWJLVBP-GFCCVEGCSA-N -1 1 360.369 2.758 20 10 FFCDMM CC[C@@H](C)N1C[C@@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387069 1036671737 /nfs/dbraw/zinc/67/17/37/1036671737.db2.gz DTLBAQWXAKMKOQ-XIKOKIGWSA-N -1 1 370.852 2.787 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1C(=O)OCC1(C)C)C(=O)c1ccccc1C2=O ZINC001229828944 1036921942 /nfs/dbraw/zinc/92/19/42/1036921942.db2.gz IVCMXFSJXBXTGQ-IBGZPJMESA-N -1 1 366.369 2.806 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CCCN(C)C1)C(=O)c1ccccc1C2=O ZINC001229828647 1036923139 /nfs/dbraw/zinc/92/31/39/1036923139.db2.gz BMNOEDNRJSCZPD-ZDUSSCGKSA-N -1 1 351.402 2.949 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001234474582 1037052959 /nfs/dbraw/zinc/05/29/59/1037052959.db2.gz UJORCOOQOQUIJX-BTYIYWSLSA-N -1 1 371.433 2.969 20 10 FFCDMM CCC(=O)NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC001235065343 1037337188 /nfs/dbraw/zinc/33/71/88/1037337188.db2.gz PHFHPGHPWVLYSY-UHFFFAOYSA-N -1 1 359.239 2.784 20 10 FFCDMM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231453509 1037595412 /nfs/dbraw/zinc/59/54/12/1037595412.db2.gz IDQZXAFHFDPSOO-STQMWFEESA-N -1 1 364.442 2.920 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1cc(C(=O)[O-])ccc1O ZINC001231562706 1037686791 /nfs/dbraw/zinc/68/67/91/1037686791.db2.gz KTRJBXXGKJFDQL-GJZGRUSLSA-N -1 1 362.426 2.674 20 10 FFCDMM COC[C@@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])Cc2nnn(C)c21 ZINC001236790796 1038271477 /nfs/dbraw/zinc/27/14/77/1038271477.db2.gz VDWHHXLGTQPKIV-JTQLQIEISA-N -1 1 357.241 2.573 20 10 FFCDMM COc1cc([O-])c(CN2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 ZINC001236803687 1038279643 /nfs/dbraw/zinc/27/96/43/1038279643.db2.gz OAHWBYBEKUTRNQ-UHFFFAOYSA-N -1 1 350.802 2.605 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2c([O-])ccc(F)c2Cl)C1 ZINC001237122120 1038449254 /nfs/dbraw/zinc/44/92/54/1038449254.db2.gz SEQVYDWSXPKLTO-QWRGUYRKSA-N -1 1 374.840 2.645 20 10 FFCDMM O=C(NCc1ccc(Cn2cncn2)cc1)NCc1cccc(Cl)c1[O-] ZINC001251557877 1039179682 /nfs/dbraw/zinc/17/96/82/1039179682.db2.gz JOSMLDWWTOFHKC-UHFFFAOYSA-N -1 1 371.828 2.685 20 10 FFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C ZINC001258973700 1039630567 /nfs/dbraw/zinc/63/05/67/1039630567.db2.gz SNKKGQIQUGZQKM-GTNSWQLSSA-N -1 1 353.440 2.538 20 10 FFCDMM COC(=O)CS(=O)(=O)[N-]c1ccc(/C=C/c2ccc(N(C)C)cc2)cc1 ZINC001259025889 1039660142 /nfs/dbraw/zinc/66/01/42/1039660142.db2.gz DNSDLBVHCZWBEX-SNAWJCMRSA-N -1 1 374.462 2.838 20 10 FFCDMM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(O)c4ccccc34)ccc21 ZINC001260160460 1040436248 /nfs/dbraw/zinc/43/62/48/1040436248.db2.gz SWRTVMWYZOQEIV-UHFFFAOYSA-N -1 1 368.414 2.865 20 10 FFCDMM O=S(=O)([N-]c1cccc(Br)c1F)c1cccc2nonc21 ZINC001260441183 1040592690 /nfs/dbraw/zinc/59/26/90/1040592690.db2.gz SLUHFZWUSJIQCY-UHFFFAOYSA-N -1 1 372.175 2.925 20 10 FFCDMM [O-]c1c(CN2CC3(CCN3Cc3cn[nH]c3)C2)cccc1C(F)(F)F ZINC001279505302 1043200473 /nfs/dbraw/zinc/20/04/73/1043200473.db2.gz OGYCFNXQQQNHNL-UHFFFAOYSA-N -1 1 352.360 2.594 20 10 FFCDMM COc1cc(C)nc(O[C@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237803862 1043368034 /nfs/dbraw/zinc/36/80/34/1043368034.db2.gz VHMFLAMHUJOURF-ZDUSSCGKSA-N -1 1 367.808 2.945 20 10 FFCDMM COCCOCN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001279676788 1043449044 /nfs/dbraw/zinc/44/90/44/1043449044.db2.gz QCNUBTAVWASJJB-TXEJJXNPSA-N -1 1 361.269 2.578 20 10 FFCDMM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC000756359718 1043592962 /nfs/dbraw/zinc/59/29/62/1043592962.db2.gz DUYHGEPWQJACNJ-GOSISDBHSA-N -1 1 362.376 2.717 20 10 FFCDMM CN(C)C(=O)c1[nH]nc2c1CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279976419 1044020478 /nfs/dbraw/zinc/02/04/78/1044020478.db2.gz WCJGZYOARJJQMT-UHFFFAOYSA-N -1 1 355.225 2.640 20 10 FFCDMM COc1ccc2[nH]c(C)c(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001320913927 1045493048 /nfs/dbraw/zinc/49/30/48/1045493048.db2.gz SQEOFSBWBZTNCH-UHFFFAOYSA-N -1 1 355.346 2.936 20 10 FFCDMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCCC2)c(C)n1-c1ccc(F)cc1 ZINC000735821448 1048601428 /nfs/dbraw/zinc/60/14/28/1048601428.db2.gz HCTRQYANMBLREV-UHFFFAOYSA-N -1 1 368.416 2.946 20 10 FFCDMM [O-]c1c(F)cccc1CN1CCn2c(Cc3ccccc3F)nnc2C1 ZINC000846018434 1051676584 /nfs/dbraw/zinc/67/65/84/1051676584.db2.gz MTZDYNIEVWCOIH-UHFFFAOYSA-N -1 1 356.376 2.869 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccncc1NC(=O)C(F)(F)F ZINC001457034466 1060257368 /nfs/dbraw/zinc/25/73/68/1060257368.db2.gz GGBMBUJFFYFRGL-UHFFFAOYSA-N -1 1 373.718 2.871 20 10 FFCDMM Cc1nnnn1/C(=C/c1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457036344 1060259744 /nfs/dbraw/zinc/25/97/44/1060259744.db2.gz GBAIRRKZNOSSIH-MHWRWJLKSA-N -1 1 369.812 2.655 20 10 FFCDMM CNC(=O)c1ccc(OC)c(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001475977626 1061325025 /nfs/dbraw/zinc/32/50/25/1061325025.db2.gz NFEKQWWGMKOHOZ-UHFFFAOYSA-N -1 1 363.801 2.736 20 10 FFCDMM O=C(NCc1nccc(C(F)(F)F)n1)NCc1cccc(Cl)c1[O-] ZINC001478832406 1062126192 /nfs/dbraw/zinc/12/61/92/1062126192.db2.gz XSUOJWRRHDKEJX-UHFFFAOYSA-N -1 1 360.723 2.854 20 10 FFCDMM CC(=O)N/C(=C\c1cccs1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001472316849 1065012682 /nfs/dbraw/zinc/01/26/82/1065012682.db2.gz JOFMEQJAJOVXGD-ZSOIEALJSA-N -1 1 350.827 2.901 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1(c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001582555634 1079065445 /nfs/dbraw/zinc/06/54/45/1079065445.db2.gz YZZAOOSBJVUVED-UHFFFAOYSA-N -1 1 369.812 2.574 20 10 FFCDMM C[C@@H]1CN(Cc2cc(Br)cc(Br)c2[O-])C[C@H]1O ZINC001561021372 1076321083 /nfs/dbraw/zinc/32/10/83/1076321083.db2.gz JXWYRFJVYXHDAG-RDDDGLTNSA-N -1 1 365.065 2.730 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1[nH]ncc1C(F)(F)F ZINC001568605726 1077102763 /nfs/dbraw/zinc/10/27/63/1077102763.db2.gz SEQRMQIRMRNHDL-UHFFFAOYSA-N -1 1 364.121 2.827 20 10 FFCDMM CCOCCOCc1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000276507245 510940786 /nfs/dbraw/zinc/94/07/86/510940786.db2.gz DKBMIBBMQCUZMT-UHFFFAOYSA-N -1 1 363.385 2.720 20 10 FFCDMM COc1cccc(N2CC[C@@H](CNC(=O)c3c(F)ccc(O)c3[O-])C2)c1 ZINC000276538714 510941998 /nfs/dbraw/zinc/94/19/98/510941998.db2.gz FTZCJAPCJOPOQI-LBPRGKRZSA-N -1 1 360.385 2.502 20 10 FFCDMM COc1ccccc1N1CC[C@@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000276617384 510942857 /nfs/dbraw/zinc/94/28/57/510942857.db2.gz QFMWMRIMUJTSMY-LBPRGKRZSA-N -1 1 360.385 2.502 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCO[C@H](C2CC2)C1 ZINC000277414043 510961489 /nfs/dbraw/zinc/96/14/89/510961489.db2.gz KQFGYBIOXCLCGA-JSGCOSHPSA-N -1 1 369.259 2.912 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCO[C@H](C2CC2)C1 ZINC000277414049 510961686 /nfs/dbraw/zinc/96/16/86/510961686.db2.gz KQFGYBIOXCLCGA-OCCSQVGLSA-N -1 1 369.259 2.912 20 10 FFCDMM Cc1nn(C)cc1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277392220 510962115 /nfs/dbraw/zinc/96/21/15/510962115.db2.gz JENQYACEQHDEBB-SECBINFHSA-N -1 1 367.247 2.757 20 10 FFCDMM COC(=O)[C@H]1CCC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277605819 510967691 /nfs/dbraw/zinc/96/76/91/510967691.db2.gz USUPNYDSPFHOSY-QWRGUYRKSA-N -1 1 370.243 2.750 20 10 FFCDMM COc1c([O-])c(CN2CCOC[C@@H]2c2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000278380813 510992676 /nfs/dbraw/zinc/99/26/76/510992676.db2.gz LSCFGALQCFYHLQ-CYBMUJFWSA-N -1 1 365.411 2.647 20 10 FFCDMM CC[C@@H]1Oc2cc([C@@H](C)NC(=O)c3c(F)ccc(O)c3[O-])ccc2NC1=O ZINC000295368957 511380197 /nfs/dbraw/zinc/38/01/97/511380197.db2.gz RPAIAXOQGUJCPG-OTYXRUKQSA-N -1 1 374.368 2.837 20 10 FFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000295935008 511560788 /nfs/dbraw/zinc/56/07/88/511560788.db2.gz SQKOGXHRKHABFT-ZYHUDNBSSA-N -1 1 368.405 2.612 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000295947638 511565148 /nfs/dbraw/zinc/56/51/48/511565148.db2.gz GXPUMMUPCAPSFA-LLVKDONJSA-N -1 1 373.384 2.648 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCCCS3)no2)c1 ZINC000273962992 511671130 /nfs/dbraw/zinc/67/11/30/511671130.db2.gz JQUKXBHLSDVRGD-LBPRGKRZSA-N -1 1 355.441 2.772 20 10 FFCDMM CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272359 511679683 /nfs/dbraw/zinc/67/96/83/511679683.db2.gz DRCAUXREHWIUGH-MCFWBGNESA-N -1 1 373.902 2.883 20 10 FFCDMM O=S(=O)(CCC(F)(F)F)NCc1cccc(Br)c1[O-] ZINC000284338643 511689616 /nfs/dbraw/zinc/68/96/16/511689616.db2.gz PJKBYWXXGHCPJB-UHFFFAOYSA-N -1 1 362.167 2.527 20 10 FFCDMM Cc1cc(CC(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000366403076 512001902 /nfs/dbraw/zinc/00/19/02/512001902.db2.gz SSTHQWYYWWLNPV-HNNXBMFYSA-N -1 1 363.845 2.665 20 10 FFCDMM FC(F)Oc1ccc2c(c1)CCCN2Cc1ccnc(-c2nnn[n-]2)c1 ZINC000826369642 607517096 /nfs/dbraw/zinc/51/70/96/607517096.db2.gz KYRCKQIJKABSQR-UHFFFAOYSA-N -1 1 358.352 2.816 20 10 FFCDMM FC(F)Oc1ccc2c(c1)CCCN2Cc1ccnc(-c2nn[n-]n2)c1 ZINC000826369642 607517098 /nfs/dbraw/zinc/51/70/98/607517098.db2.gz KYRCKQIJKABSQR-UHFFFAOYSA-N -1 1 358.352 2.816 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1F ZINC000821198414 606556600 /nfs/dbraw/zinc/55/66/00/606556600.db2.gz UGIKZVGQCDDZAV-UHFFFAOYSA-N -1 1 374.445 2.844 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1F ZINC000821198414 606556602 /nfs/dbraw/zinc/55/66/02/606556602.db2.gz UGIKZVGQCDDZAV-UHFFFAOYSA-N -1 1 374.445 2.844 20 10 FFCDMM Cc1c(F)cccc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000743254350 735285644 /nfs/dbraw/zinc/28/56/44/735285644.db2.gz MMNDOFHSOGFWJO-UHFFFAOYSA-N -1 1 350.415 2.772 20 10 FFCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000023398087 727845518 /nfs/dbraw/zinc/84/55/18/727845518.db2.gz FHEGTDDVCIWREZ-UHFFFAOYSA-N -1 1 360.844 2.512 20 10 FFCDMM COc1ccc(O)c(CNC(=O)c2ccc(Br)c([O-])c2)c1 ZINC000133456603 728726983 /nfs/dbraw/zinc/72/69/83/728726983.db2.gz AQKMNQRYTXOQQK-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2cc3c(cc2Cl)NC(=O)C3)ccc1O ZINC000136488511 728739594 /nfs/dbraw/zinc/73/95/94/728739594.db2.gz LCUIDKMGAOOHLB-UHFFFAOYSA-N -1 1 352.799 2.649 20 10 FFCDMM CCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCS(=O)(=O)C1 ZINC000177253238 729132992 /nfs/dbraw/zinc/13/29/92/729132992.db2.gz SKJMTKLTDGMQIW-AWEZNQCLSA-N -1 1 359.875 2.647 20 10 FFCDMM Cn1ccc2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])c21 ZINC000188130357 729384758 /nfs/dbraw/zinc/38/47/58/729384758.db2.gz LYCXOXRZZXFDGK-UHFFFAOYSA-N -1 1 359.407 2.508 20 10 FFCDMM CC(C)(C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758063 734336354 /nfs/dbraw/zinc/33/63/54/734336354.db2.gz QQHGEBORSSBRBJ-GFCCVEGCSA-N -1 1 356.875 2.609 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1c(Br)nc2n1CCC2 ZINC000890761140 734337180 /nfs/dbraw/zinc/33/71/80/734337180.db2.gz LYHDWRPURXJCMN-UHFFFAOYSA-N -1 1 370.634 2.881 20 10 FFCDMM CCC[C@@]1(C)C(=O)NCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000783740756 738831462 /nfs/dbraw/zinc/83/14/62/738831462.db2.gz MJWHMSXGDPFCER-INIZCTEOSA-N -1 1 355.276 2.954 20 10 FFCDMM CC(C)c1nn(C)c(Cl)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783858012 738842382 /nfs/dbraw/zinc/84/23/82/738842382.db2.gz FZZBAOATMYDPAK-UHFFFAOYSA-N -1 1 352.774 2.648 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCO[C@]2(CCSC2)C1 ZINC000893752041 734746681 /nfs/dbraw/zinc/74/66/81/734746681.db2.gz IYVWKDUZOGPYPC-MLGOLLRUSA-N -1 1 356.875 2.900 20 10 FFCDMM C[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000894521696 734874006 /nfs/dbraw/zinc/87/40/06/734874006.db2.gz ZVYBXGGXMZMOAH-SNVBAGLBSA-N -1 1 357.838 2.758 20 10 FFCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cccc(Br)c2)n1 ZINC000747655376 735578773 /nfs/dbraw/zinc/57/87/73/735578773.db2.gz XFRQSFPXZXZINQ-UHFFFAOYSA-N -1 1 368.260 2.870 20 10 FFCDMM C[C@H]1C[C@@H](O)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270269 739226191 /nfs/dbraw/zinc/22/61/91/739226191.db2.gz QTAHOWZKDSDAGT-OIBJUYFYSA-N -1 1 365.065 2.872 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCn3c(nnc3C(F)F)C2)c1[O-] ZINC000761106457 736696899 /nfs/dbraw/zinc/69/68/99/736696899.db2.gz VWTOZBAIEYIKKS-UHFFFAOYSA-N -1 1 356.760 2.793 20 10 FFCDMM COc1ccc(CCS(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000908326716 736758365 /nfs/dbraw/zinc/75/83/65/736758365.db2.gz CSDPELAOTUHPIN-UHFFFAOYSA-N -1 1 355.843 2.716 20 10 FFCDMM O=S(=O)(CCOCc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC000908329170 736758607 /nfs/dbraw/zinc/75/86/07/736758607.db2.gz QRHTYNZJMLHYJS-UHFFFAOYSA-N -1 1 355.843 2.682 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000762001696 736781598 /nfs/dbraw/zinc/78/15/98/736781598.db2.gz WVMJIMLUFILPRP-UHFFFAOYSA-N -1 1 369.370 2.818 20 10 FFCDMM CC1(C)CC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000764803621 737051568 /nfs/dbraw/zinc/05/15/68/737051568.db2.gz DTPBQPWLUTZDPB-NSHDSACASA-N -1 1 357.248 2.912 20 10 FFCDMM CO[C@H]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764807855 737051957 /nfs/dbraw/zinc/05/19/57/737051957.db2.gz WNDXXURQMPWAKD-GWCFXTLKSA-N -1 1 357.248 2.769 20 10 FFCDMM COc1ncccc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000765241078 737100310 /nfs/dbraw/zinc/10/03/10/737100310.db2.gz HDPYGQSQJLWCHH-UHFFFAOYSA-N -1 1 352.188 2.880 20 10 FFCDMM Cc1ccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765726677 737149340 /nfs/dbraw/zinc/14/93/40/737149340.db2.gz JDMWGWUVEOXVHU-UHFFFAOYSA-N -1 1 363.211 2.718 20 10 FFCDMM CCOC(=O)N[C@@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC000765753867 737154296 /nfs/dbraw/zinc/15/42/96/737154296.db2.gz RINAJXOFFJLEGI-GFCCVEGCSA-N -1 1 373.247 2.542 20 10 FFCDMM CC(C)n1ccc(CC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765757605 737154748 /nfs/dbraw/zinc/15/47/48/737154748.db2.gz RSQKTVLULQJFJT-UHFFFAOYSA-N -1 1 352.232 2.791 20 10 FFCDMM O=C([O-])CCCCC(=O)N[C@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911368484 737195528 /nfs/dbraw/zinc/19/55/28/737195528.db2.gz BVARMQLKGSESOU-HNNXBMFYSA-N -1 1 368.861 2.771 20 10 FFCDMM COCCCn1cc(C)c(NC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC000931599711 739295707 /nfs/dbraw/zinc/29/57/07/739295707.db2.gz OICQYKZPEMKRMC-UHFFFAOYSA-N -1 1 352.822 2.909 20 10 FFCDMM CN(C)[C@@H](CNC(=O)c1c([O-])c(O)ccc1F)c1ccccc1Cl ZINC000789944286 739398628 /nfs/dbraw/zinc/39/86/28/739398628.db2.gz PXLIIFKYXUYCHB-ZDUSSCGKSA-N -1 1 352.793 2.923 20 10 FFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H](C)S1(=O)=O ZINC000805772707 741006421 /nfs/dbraw/zinc/00/64/21/741006421.db2.gz JHHUGLWIWHEZHF-QMTHXVAHSA-N -1 1 359.875 2.646 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2C(=O)NCC(F)F)c1[O-] ZINC000832129731 745641099 /nfs/dbraw/zinc/64/10/99/745641099.db2.gz AIDCKGXLCYCKOX-AWEZNQCLSA-N -1 1 374.815 2.984 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nccc(C(F)(F)F)n2)c1 ZINC000840868617 747207324 /nfs/dbraw/zinc/20/73/24/747207324.db2.gz CIWHZFWRKAINHI-SECBINFHSA-N -1 1 355.316 2.838 20 10 FFCDMM COc1cc(C)cc(C[N@H+]2CCC[C@@H](NC(=O)C(F)(F)F)[C@H]2C)c1O ZINC000848502043 748942599 /nfs/dbraw/zinc/94/25/99/748942599.db2.gz OQFUQLXBQOWXQK-DGCLKSJQSA-N -1 1 360.376 2.741 20 10 FFCDMM COc1cccc(CNC(=O)c2cc(Br)ccc2[O-])c1O ZINC000068488619 845523175 /nfs/dbraw/zinc/52/31/75/845523175.db2.gz VDRZZOSZXZITAI-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM CC(C)=CCN1C[C@@]2(F)CN(Cc3cccc(F)c3[O-])C[C@@]2(F)C1=O ZINC001276084753 1013429238 /nfs/dbraw/zinc/42/92/38/1013429238.db2.gz ACKQUBBVYRIIRK-ZWKOTPCHSA-N -1 1 354.372 2.572 20 10 FFCDMM O=C(COC(=O)c1cc(-c2cccc(F)c2)no1)c1ccc([O-])c(O)c1 ZINC000782942437 970004928 /nfs/dbraw/zinc/00/49/28/970004928.db2.gz QFDHGXQMCVGIKT-UHFFFAOYSA-N -1 1 357.293 2.932 20 10 FFCDMM CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1[N@@H+](C)Cc1cc(F)c(F)cc1O ZINC001142534248 982622646 /nfs/dbraw/zinc/62/26/46/982622646.db2.gz BIVYFOOWXRTMIO-HOCLYGCPSA-N -1 1 372.412 2.737 20 10 FFCDMM C[N@H+](Cc1ccc(Br)cc1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598519914 992667077 /nfs/dbraw/zinc/66/70/77/992667077.db2.gz QHAKHRXOCNBOPC-CYBMUJFWSA-N -1 1 358.232 2.609 20 10 FFCDMM C[N@@H+](Cc1ccc(Br)cc1[O-])[C@H](COC1CCC1)C(=O)[O-] ZINC001598519914 992667082 /nfs/dbraw/zinc/66/70/82/992667082.db2.gz QHAKHRXOCNBOPC-CYBMUJFWSA-N -1 1 358.232 2.609 20 10 FFCDMM NC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCCCC3)c2)c1 ZINC001116117023 1032137039 /nfs/dbraw/zinc/13/70/39/1032137039.db2.gz ZEQYXDMLMVVVBD-UHFFFAOYSA-N -1 1 373.478 2.967 20 10 FFCDMM CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001599125175 997829836 /nfs/dbraw/zinc/82/98/36/997829836.db2.gz ZDILUHUIIQFQSW-DGCLKSJQSA-N -1 1 358.232 2.527 20 10 FFCDMM Cc1ccccc1NC(=S)NNc1nc(=O)c2cnn(C(C)(C)C)c2[n-]1 ZINC000769796660 1000605049 /nfs/dbraw/zinc/60/50/49/1000605049.db2.gz YZJFGFUZOZIPBO-UHFFFAOYSA-N -1 1 371.470 2.909 20 10 FFCDMM COc1cccc(N2CCC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2)c1 ZINC000789977765 1002244101 /nfs/dbraw/zinc/24/41/01/1002244101.db2.gz YSDBSQALPPCXTC-GFCCVEGCSA-N -1 1 360.385 2.644 20 10 FFCDMM Cc1nc(NCC(=O)c2ccc([O-])c(O)c2)cc(NC(=O)OC(C)(C)C)n1 ZINC001170314239 1003104381 /nfs/dbraw/zinc/10/43/81/1003104381.db2.gz UMRIZXKYYZDLQO-UHFFFAOYSA-N -1 1 374.397 2.838 20 10 FFCDMM CC(C)(C)OC(=O)Nc1ncc(NCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC001170314791 1003104433 /nfs/dbraw/zinc/10/44/33/1003104433.db2.gz IMPZXOGMRYPMBA-UHFFFAOYSA-N -1 1 360.370 2.530 20 10 FFCDMM O=C(CNc1nnc2c(c1C(F)(F)F)CCC2)c1ccc([O-])c(O)c1 ZINC001170316638 1003106018 /nfs/dbraw/zinc/10/60/18/1003106018.db2.gz VOHDLOFLOYQVBV-UHFFFAOYSA-N -1 1 353.300 2.690 20 10 FFCDMM CCOC(=O)c1cc(Cl)cc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001170316783 1003106731 /nfs/dbraw/zinc/10/67/31/1003106731.db2.gz OAOIJDGVSCGLJR-UHFFFAOYSA-N -1 1 350.758 2.618 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H](F)[C@](O)(C(F)(F)F)CC1 ZINC001193219657 1004407311 /nfs/dbraw/zinc/40/73/11/1004407311.db2.gz LTVPUKYJHMVHAZ-ZANVPECISA-N -1 1 371.714 2.619 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775116781 1006053653 /nfs/dbraw/zinc/05/36/53/1006053653.db2.gz XABLDIDFIHJQMG-MRXNPFEDSA-N -1 1 374.393 2.589 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCc1ccc(Cl)cc1 ZINC001189104378 1006912815 /nfs/dbraw/zinc/91/28/15/1006912815.db2.gz SJFNJJQTUYTDRZ-UHFFFAOYSA-N -1 1 369.826 2.817 20 10 FFCDMM C[C@@H](C(=O)NCc1cccc(Cl)c1[O-])n1nnc(-c2ccccc2)n1 ZINC001180409606 1009684870 /nfs/dbraw/zinc/68/48/70/1009684870.db2.gz FBASJVMHDLWLQW-NSHDSACASA-N -1 1 357.801 2.577 20 10 FFCDMM CN1c2ccccc2[C@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274707114 1011605630 /nfs/dbraw/zinc/60/56/30/1011605630.db2.gz ZASFYJJUDRCLHV-LJQANCHMSA-N -1 1 372.808 2.512 20 10 FFCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000900404453 1020404320 /nfs/dbraw/zinc/40/43/20/1020404320.db2.gz GXCOQDPBZARURL-UHFFFAOYSA-N -1 1 352.438 2.980 20 10 FFCDMM O=C(CNc1nc(Cl)nc2[nH]cc(Cl)c21)c1ccc([O-])c(O)c1 ZINC001159272343 1027329564 /nfs/dbraw/zinc/32/95/64/1027329564.db2.gz LDLNWOSZYXILRF-UHFFFAOYSA-N -1 1 353.165 2.971 20 10 FFCDMM O=C(CNc1cncc(OCc2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001159276779 1027333343 /nfs/dbraw/zinc/33/33/43/1027333343.db2.gz LRBZJYHDZBAULK-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM COc1ccccc1-c1ccc(NCC(=O)c2ccc([O-])c(O)c2)nn1 ZINC001159280149 1027335614 /nfs/dbraw/zinc/33/56/14/1027335614.db2.gz CBRODLBEQDFIFR-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM Cc1cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)n(C2CCC2)n1 ZINC001155222160 1028632032 /nfs/dbraw/zinc/63/20/32/1028632032.db2.gz LNZGEIAIHPYZMV-UHFFFAOYSA-N -1 1 355.350 2.686 20 10 FFCDMM O=C(Cc1csc(-c2cccnc2)n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782135557 1029585330 /nfs/dbraw/zinc/58/53/30/1029585330.db2.gz KZPNZOQDEXLGGX-UHFFFAOYSA-N -1 1 370.386 2.585 20 10 FFCDMM C[C@@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782784167 1029819198 /nfs/dbraw/zinc/81/91/98/1029819198.db2.gz SRUGSKDRRAKWPQ-ABAIWWIYSA-N -1 1 369.373 2.732 20 10 FFCDMM O=C(COC(=O)c1cnc(-c2ccccc2)nc1)c1ccc([O-])c(O)c1 ZINC000783236872 1029984109 /nfs/dbraw/zinc/98/41/09/1029984109.db2.gz XSOTZQSMWYBYHY-UHFFFAOYSA-N -1 1 350.330 2.595 20 10 FFCDMM [O-]c1cc(F)c(F)cc1C[N@H+]1C[C@H](Oc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001142512779 1030563023 /nfs/dbraw/zinc/56/30/23/1030563023.db2.gz KNPUCDPYKNUBAZ-WDSOQIARSA-N -1 1 362.376 2.876 20 10 FFCDMM COc1ccc(C[C@@H](C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000784631031 1030728267 /nfs/dbraw/zinc/72/82/67/1030728267.db2.gz LQJIHXUDMSKDAI-GFCCVEGCSA-N -1 1 374.389 2.720 20 10 FFCDMM CO[C@H](C)CO[C@H](C)COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578796 1035616890 /nfs/dbraw/zinc/61/68/90/1035616890.db2.gz XVDMUOQTEYAQSY-CHWSQXEVSA-N -1 1 370.401 2.986 20 10 FFCDMM CN(Cc1c([O-])cc(F)cc1F)C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001140583128 1035664807 /nfs/dbraw/zinc/66/48/07/1035664807.db2.gz WRHRWSYXOCOBFV-CYBMUJFWSA-N -1 1 372.412 2.738 20 10 FFCDMM COc1ccnc(O[C@@H]2CCCN(Cc3ccc(F)c(F)c3[O-])C2)n1 ZINC001233080163 1036326717 /nfs/dbraw/zinc/32/67/17/1036326717.db2.gz RNCSLNHBXSGKHC-GFCCVEGCSA-N -1 1 351.353 2.512 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001233308485 1036514571 /nfs/dbraw/zinc/51/45/71/1036514571.db2.gz SKEJGJFMVPHNJZ-MRXNPFEDSA-N -1 1 370.243 2.696 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@]3(CCO3)C2)c1 ZINC001233308485 1036514573 /nfs/dbraw/zinc/51/45/73/1036514573.db2.gz SKEJGJFMVPHNJZ-MRXNPFEDSA-N -1 1 370.243 2.696 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCCn2cnc(Cn3cccn3)c2C1 ZINC001233333780 1036542504 /nfs/dbraw/zinc/54/25/04/1036542504.db2.gz HOYPXKTZXKYITD-UHFFFAOYSA-N -1 1 359.380 2.518 20 10 FFCDMM C[C@H]1CC[C@@H](COc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)O1 ZINC001229196376 1036547352 /nfs/dbraw/zinc/54/73/52/1036547352.db2.gz CYNMQMIMDLVJQP-QWRGUYRKSA-N -1 1 354.358 2.820 20 10 FFCDMM CCn1nnc2c1CCN(Cc1cccc(C(F)(F)F)c1[O-])[C@@H]2COC ZINC001233416220 1036609969 /nfs/dbraw/zinc/60/99/69/1036609969.db2.gz AHEOLMDHCHICNX-CQSZACIVSA-N -1 1 370.375 2.768 20 10 FFCDMM Cc1c([O-])cc2c(c1OCC(=O)OC(C)C)C(=O)c1ccccc1C2=O ZINC001229829533 1036922713 /nfs/dbraw/zinc/92/27/13/1036922713.db2.gz ULDSSOXXFQAYNL-UHFFFAOYSA-N -1 1 354.358 2.806 20 10 FFCDMM CC[C@@](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])(C(=O)OC)c1ccccc1 ZINC001207050055 1037101698 /nfs/dbraw/zinc/10/16/98/1037101698.db2.gz QVYXPEAVZASEOD-IBGZPJMESA-N -1 1 374.393 2.877 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](Oc2cnccn2)C1 ZINC001235074458 1037343422 /nfs/dbraw/zinc/34/34/22/1037343422.db2.gz HXCNUBXGZHKEEB-GFCCVEGCSA-N -1 1 368.206 2.737 20 10 FFCDMM CC(C)N(C)C(=O)C1=NO[C@@]2(CCN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231909540 1038004004 /nfs/dbraw/zinc/00/40/04/1038004004.db2.gz CBHJPDIJOJCJQS-SFHVURJKSA-N -1 1 365.861 2.633 20 10 FFCDMM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236795186 1038274952 /nfs/dbraw/zinc/27/49/52/1038274952.db2.gz AJKKGNVJVBNNOD-YHPBZONMSA-N -1 1 360.237 2.851 20 10 FFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCOC[C@](O)(C(F)(F)F)C1 ZINC001237077977 1038438894 /nfs/dbraw/zinc/43/88/94/1038438894.db2.gz LSLCCOLDPOFZJS-LBPRGKRZSA-N -1 1 360.159 2.825 20 10 FFCDMM O=C1CN(Cc2c([O-])ccc(Cl)c2Cl)CCN1C1CCOCC1 ZINC001237080341 1038439151 /nfs/dbraw/zinc/43/91/51/1038439151.db2.gz ANEAWQLJNGUMPV-UHFFFAOYSA-N -1 1 359.253 2.522 20 10 FFCDMM CCN(C1CCN(C)CC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251409107 1039114205 /nfs/dbraw/zinc/11/42/05/1039114205.db2.gz KUQBVZBLIHCZJE-UHFFFAOYSA-N -1 1 367.298 2.804 20 10 FFCDMM COc1cnc(O[C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)nc1 ZINC001237623632 1043280329 /nfs/dbraw/zinc/28/03/29/1043280329.db2.gz RSRGTXBNVLMSTQ-GFCCVEGCSA-N -1 1 353.781 2.637 20 10 FFCDMM [O-]c1c(I)cccc1CN1Cc2ncsc2C1 ZINC001237784277 1043355881 /nfs/dbraw/zinc/35/58/81/1043355881.db2.gz SZIVHRCCZNUQKB-UHFFFAOYSA-N -1 1 358.204 2.969 20 10 FFCDMM CN(C)c1cncc(NC(=O)NCc2cccc(Br)c2[O-])c1 ZINC001311092054 1043801338 /nfs/dbraw/zinc/80/13/38/1043801338.db2.gz LYXCXLXUJMDBBE-UHFFFAOYSA-N -1 1 365.231 2.937 20 10 FFCDMM CCOc1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC001324646451 1046145680 /nfs/dbraw/zinc/14/56/80/1046145680.db2.gz VZTGAANFWKBANK-UHFFFAOYSA-N -1 1 351.200 2.878 20 10 FFCDMM CC(C)[C@H](C(=O)NCc1cccc(Cl)c1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC001305069314 1051794372 /nfs/dbraw/zinc/79/43/72/1051794372.db2.gz CXDUDUZKISCHMK-XJKCOSOUSA-N -1 1 354.878 2.796 20 10 FFCDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc4ccccc4o3)C2)cc1 ZINC000849416200 1056848700 /nfs/dbraw/zinc/84/87/00/1056848700.db2.gz MDFTXCZEQYJTLE-HNNXBMFYSA-N -1 1 372.446 2.999 20 10 FFCDMM COc1cnc(F)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001448954586 1058841973 /nfs/dbraw/zinc/84/19/73/1058841973.db2.gz ANMZIBUBAZDLIL-UHFFFAOYSA-N -1 1 355.163 2.627 20 10 FFCDMM Cc1ccc(N2CC[C@H](NC(=O)NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC001468878359 1064053335 /nfs/dbraw/zinc/05/33/35/1064053335.db2.gz FFAICTYEZAHQIP-INIZCTEOSA-N -1 1 373.840 2.959 20 10 FFCDMM O=C(NCC[S@](=O)Cc1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001468985223 1064071031 /nfs/dbraw/zinc/07/10/31/1064071031.db2.gz LOEKGOJYKCZBFS-DEOSSOPVSA-N -1 1 366.870 2.794 20 10 FFCDMM CC(C)(C)c1nc(CN2CCN(Cc3cc(F)c(F)cc3[O-])CC2)no1 ZINC001474323622 1065494178 /nfs/dbraw/zinc/49/41/78/1065494178.db2.gz GLNHDNOODJZUIA-UHFFFAOYSA-N -1 1 366.412 2.669 20 10 FFCDMM Cc1cc(C(=O)NCc2cccc(Cl)c2[O-])cc(C)c1-c1nn[nH]n1 ZINC001580870751 1078880628 /nfs/dbraw/zinc/88/06/28/1078880628.db2.gz NONSYRPURPMDJL-UHFFFAOYSA-N -1 1 357.801 2.773 20 10 FFCDMM O=C(NCc1ccncc1OCC(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC001558971373 1076108225 /nfs/dbraw/zinc/10/82/25/1076108225.db2.gz LLVURSSJXJUTAO-UHFFFAOYSA-N -1 1 360.263 2.503 20 10 FFCDMM Cc1ccccc1CC(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001560629707 1076286430 /nfs/dbraw/zinc/28/64/30/1076286430.db2.gz AXYJYGHWFZMCDR-UHFFFAOYSA-N -1 1 360.404 2.866 20 10 FFCDMM O=C(NCc1ncn(-c2ccccc2)n1)NCc1cccc(Cl)c1[O-] ZINC001564830972 1076662955 /nfs/dbraw/zinc/66/29/55/1076662955.db2.gz YMHGSVXWBNQWCO-UHFFFAOYSA-N -1 1 357.801 2.626 20 10 FFCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cccc(Cl)c1 ZINC000041374384 136120936 /nfs/dbraw/zinc/12/09/36/136120936.db2.gz ISWQMRBKWBPXQV-UHFFFAOYSA-N -1 1 352.843 2.977 20 10 FFCDMM CN(C)c1ccc(CN(C[C@@H]2CCCO2)C(=O)c2cncc([O-])c2)cc1 ZINC000123198980 508651268 /nfs/dbraw/zinc/65/12/68/508651268.db2.gz PMXWYXGAAVRVJZ-IBGZPJMESA-N -1 1 355.438 2.675 20 10 FFCDMM O=C(NCCCOCC1CC1)NCc1cccc(Br)c1[O-] ZINC000277574946 510966275 /nfs/dbraw/zinc/96/62/75/510966275.db2.gz CEKNMSKUGQTYSD-UHFFFAOYSA-N -1 1 357.248 2.771 20 10 FFCDMM C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294871706 511205585 /nfs/dbraw/zinc/20/55/85/511205585.db2.gz DWNAPSAQUFHFSV-WDEREUQCSA-N -1 1 368.405 2.612 20 10 FFCDMM CC(C)(C)OC(=O)N1CC=C(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295662361 511475305 /nfs/dbraw/zinc/47/53/05/511475305.db2.gz FGLFZCRVMHFRLT-UHFFFAOYSA-N -1 1 366.389 2.534 20 10 FFCDMM CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272358 511680528 /nfs/dbraw/zinc/68/05/28/511680528.db2.gz DRCAUXREHWIUGH-FNODVLLQSA-N -1 1 373.902 2.883 20 10 FFCDMM Cn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C2CC2)n1 ZINC000292942750 511780291 /nfs/dbraw/zinc/78/02/91/511780291.db2.gz PIKMPLZPSMWDNO-UHFFFAOYSA-N -1 1 350.216 2.696 20 10 FFCDMM C[N@@H+](Cc1c(O)ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCN(C(=O)[O-])C1 ZINC000828345380 603593604 /nfs/dbraw/zinc/59/36/04/603593604.db2.gz BCAHPZPPWKGFJQ-CQSZACIVSA-N -1 1 370.405 2.513 20 10 FFCDMM Cc1cc(C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)[O-])c(C)n1-c1cccc(C)c1 ZINC000833752451 604898371 /nfs/dbraw/zinc/89/83/71/604898371.db2.gz UOCVREHPMQTOHH-SFHVURJKSA-N -1 1 366.421 2.551 20 10 FFCDMM C[C@H](Cc1cccnc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000898325198 735341582 /nfs/dbraw/zinc/34/15/82/735341582.db2.gz NYDSDLYYXHISHK-LLVKDONJSA-N -1 1 364.243 2.980 20 10 FFCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc2c(c1)CCC2 ZINC000041374395 727939580 /nfs/dbraw/zinc/93/95/80/727939580.db2.gz GYKVJCCWTBSXOP-UHFFFAOYSA-N -1 1 358.463 2.813 20 10 FFCDMM COc1ccccc1-n1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)cn1 ZINC000184619223 729329714 /nfs/dbraw/zinc/32/97/14/729329714.db2.gz ONEBQIMAERCECW-UHFFFAOYSA-N -1 1 363.370 2.526 20 10 FFCDMM O=C(C1CC1)N1CCC[N@@H+](Cc2c(O)cccc2Br)CC1 ZINC000862334545 730689584 /nfs/dbraw/zinc/68/95/84/730689584.db2.gz PRGSZYSUSSGHBG-UHFFFAOYSA-N -1 1 353.260 2.599 20 10 FFCDMM O=S(=O)(C[C@H]1CCC1(F)F)NCc1cccc(Br)c1[O-] ZINC000867195700 731153414 /nfs/dbraw/zinc/15/34/14/731153414.db2.gz WJVONWUBQTXNRF-SECBINFHSA-N -1 1 370.215 2.619 20 10 FFCDMM C[C@H](OCc1ccncc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000867832783 731231854 /nfs/dbraw/zinc/23/18/54/731231854.db2.gz QLKCTLAOUOGTCR-NSHDSACASA-N -1 1 365.227 2.771 20 10 FFCDMM CSc1ccc([N+](=O)[O-])c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782215977 738699292 /nfs/dbraw/zinc/69/92/92/738699292.db2.gz YDVDQOAGIZPKRG-UHFFFAOYSA-N -1 1 363.347 2.768 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC1CCC2(COC2)CC1 ZINC000890213430 734275026 /nfs/dbraw/zinc/27/50/26/734275026.db2.gz LPHMSATXGREFIQ-UHFFFAOYSA-N -1 1 369.259 2.913 20 10 FFCDMM C[C@@H](NC(=O)CCc1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890759491 734336856 /nfs/dbraw/zinc/33/68/56/734336856.db2.gz LKQPJNCVHGAQGT-CYBMUJFWSA-N -1 1 360.841 2.799 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000890762836 734337084 /nfs/dbraw/zinc/33/70/84/734337084.db2.gz KIYXWWDPKKBINI-HNNXBMFYSA-N -1 1 358.825 2.711 20 10 FFCDMM O=C(Cc1ccccc1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783499209 738809503 /nfs/dbraw/zinc/80/95/03/738809503.db2.gz APKZFKYKRJVTND-UHFFFAOYSA-N -1 1 365.179 2.829 20 10 FFCDMM C[C@@H]1C[C@@]2(CC[C@H](CNC(=O)NCc3cccc(Cl)c3[O-])O2)CO1 ZINC000896521939 735172559 /nfs/dbraw/zinc/17/25/59/735172559.db2.gz LFIYDIXWWUKBRF-NDGTYSDOSA-N -1 1 354.834 2.571 20 10 FFCDMM CN(C)[C@@H](CCNC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000896685281 735180004 /nfs/dbraw/zinc/18/00/04/735180004.db2.gz ZUNOZJVLXBJQMM-NSHDSACASA-N -1 1 353.772 2.727 20 10 FFCDMM Cc1ccc(Cc2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1 ZINC000761566342 736745741 /nfs/dbraw/zinc/74/57/41/736745741.db2.gz CNKYLPICSOUSNE-UHFFFAOYSA-N -1 1 359.407 2.713 20 10 FFCDMM CO[C@H]1CCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764807860 737051991 /nfs/dbraw/zinc/05/19/91/737051991.db2.gz WNDXXURQMPWAKD-MFKMUULPSA-N -1 1 357.248 2.769 20 10 FFCDMM C[C@@H](CC(=O)[O-])CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369108 737195395 /nfs/dbraw/zinc/19/53/95/737195395.db2.gz NFKNGBXIBOVERP-IUODEOHRSA-N -1 1 368.861 2.627 20 10 FFCDMM CCCC(=O)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000768883301 737471738 /nfs/dbraw/zinc/47/17/38/737471738.db2.gz UZQHBBISPAATEQ-UHFFFAOYSA-N -1 1 355.822 2.835 20 10 FFCDMM CC(C)Oc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769695107 737554792 /nfs/dbraw/zinc/55/47/92/737554792.db2.gz XFNPXXNBMXQVGZ-UHFFFAOYSA-N -1 1 364.423 2.803 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2ccc(F)cc2Cl)C(=O)[N-]C1=S ZINC000920976674 737937521 /nfs/dbraw/zinc/93/75/21/737937521.db2.gz OFSLBJZINCYVMQ-UXBLZVDNSA-N -1 1 355.822 2.674 20 10 FFCDMM CCC[C@@H](NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979193 737937539 /nfs/dbraw/zinc/93/75/39/737937539.db2.gz AMTQYVONBIEXBD-RBFDBLARSA-N -1 1 359.495 2.901 20 10 FFCDMM CC(C)NS(=O)(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000922187631 738102607 /nfs/dbraw/zinc/10/26/07/738102607.db2.gz SATRRQZPUOKDEI-UHFFFAOYSA-N -1 1 356.394 2.969 20 10 FFCDMM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1 ZINC000777649298 738310024 /nfs/dbraw/zinc/31/00/24/738310024.db2.gz IZOLKOPVMMBCHX-UHFFFAOYSA-N -1 1 364.379 2.574 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)N(C)C)CC2(C)C)c1[O-] ZINC000777738923 738316828 /nfs/dbraw/zinc/31/68/28/738316828.db2.gz JBNOTEWQCXCJJY-UHFFFAOYSA-N -1 1 367.877 2.826 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000789944197 739398605 /nfs/dbraw/zinc/39/86/05/739398605.db2.gz NCRSPSBVLFFNER-UHFFFAOYSA-N -1 1 364.804 2.848 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1CC ZINC000790410698 739449879 /nfs/dbraw/zinc/44/98/79/739449879.db2.gz ANWAFTBLZOQMSH-UHFFFAOYSA-N -1 1 365.407 2.852 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)c(OC)c([N+](=O)[O-])c1 ZINC000790415726 739450919 /nfs/dbraw/zinc/45/09/19/739450919.db2.gz JLNPYNPTXHJCBH-UHFFFAOYSA-N -1 1 370.358 2.811 20 10 FFCDMM COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2Cl)ccc1O ZINC000797819796 740275788 /nfs/dbraw/zinc/27/57/88/740275788.db2.gz SVHQZLZRLPGMNF-UHFFFAOYSA-N -1 1 371.798 2.862 20 10 FFCDMM NC(=O)CCNC(=O)Nc1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000798088938 740303026 /nfs/dbraw/zinc/30/30/26/740303026.db2.gz ZYJFQJMSUWNALL-UHFFFAOYSA-N -1 1 362.817 2.655 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C/c1ccccc1F ZINC000799925485 740464790 /nfs/dbraw/zinc/46/47/90/740464790.db2.gz SCVUAPBTAQMYMA-CMDGGOBGSA-N -1 1 351.355 2.731 20 10 FFCDMM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H](C)S1(=O)=O ZINC000805772704 741006335 /nfs/dbraw/zinc/00/63/35/741006335.db2.gz JHHUGLWIWHEZHF-HZMBPMFUSA-N -1 1 359.875 2.646 20 10 FFCDMM Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808114087 741188128 /nfs/dbraw/zinc/18/81/28/741188128.db2.gz PTLWFTWIODLUOR-UHFFFAOYSA-N -1 1 359.762 2.992 20 10 FFCDMM COC(=O)c1sccc1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115293 741188369 /nfs/dbraw/zinc/18/83/69/741188369.db2.gz WKWFKKKOGWBLTK-UHFFFAOYSA-N -1 1 365.791 2.834 20 10 FFCDMM COC(C)(C)c1nc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000811241444 741497270 /nfs/dbraw/zinc/49/72/70/741497270.db2.gz JODGFQGRFMQLDP-UHFFFAOYSA-N -1 1 365.407 2.784 20 10 FFCDMM CC[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000817176819 742101671 /nfs/dbraw/zinc/10/16/71/742101671.db2.gz MNNVFDPXGLUTGY-RYUDHWBXSA-N -1 1 357.248 2.912 20 10 FFCDMM CC[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000817176818 742101831 /nfs/dbraw/zinc/10/18/31/742101831.db2.gz MNNVFDPXGLUTGY-NWDGAFQWSA-N -1 1 357.248 2.912 20 10 FFCDMM CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Br)cc1O ZINC000824627674 743118756 /nfs/dbraw/zinc/11/87/56/743118756.db2.gz SAPOUDLCLFOLHQ-AWEZNQCLSA-N -1 1 355.276 2.988 20 10 FFCDMM CCCN(CCNC(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000827303595 743552156 /nfs/dbraw/zinc/55/21/56/743552156.db2.gz KYOHWCNQAOEAMO-UHFFFAOYSA-N -1 1 356.394 2.614 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@@H]2c2ccnn2C)c1 ZINC000846116300 748410514 /nfs/dbraw/zinc/41/05/14/748410514.db2.gz RZCXTTXEXVBTEJ-OAHLLOKOSA-N -1 1 366.259 2.770 20 10 FFCDMM C[C@@H]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000852580100 749896154 /nfs/dbraw/zinc/89/61/54/749896154.db2.gz LWIFTLDSGLTSME-PWSUYJOCSA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(Cc1ccccc1)N1CCC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757924 960315629 /nfs/dbraw/zinc/31/56/29/960315629.db2.gz NEDJJJUPHVDVTH-QGZVFWFLSA-N -1 1 372.852 2.896 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001175552977 1013510232 /nfs/dbraw/zinc/51/02/32/1013510232.db2.gz SDXKDSXQBHQYNA-CYBMUJFWSA-N -1 1 370.844 2.890 20 10 FFCDMM COc1cccc([C@@H](C)N2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000825737360 1013835250 /nfs/dbraw/zinc/83/52/50/1013835250.db2.gz ZWEPDZORMDLCRR-CYBMUJFWSA-N -1 1 374.412 2.765 20 10 FFCDMM CC1=CCC=C[C@@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279105454 977661238 /nfs/dbraw/zinc/66/12/38/977661238.db2.gz BGIIMJBNHYZVTM-XHSDSOJGSA-N -1 1 360.404 2.978 20 10 FFCDMM COc1ccc(N2CCN(Cc3ccccc3CC(=O)[O-])CC2)c(OC)c1 ZINC001599586790 993624258 /nfs/dbraw/zinc/62/42/58/993624258.db2.gz WNKNDUKBLXXPDC-UHFFFAOYSA-N -1 1 370.449 2.653 20 10 FFCDMM CO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])[C@@H](C(=O)[O-])C1 ZINC001599125176 997830206 /nfs/dbraw/zinc/83/02/06/997830206.db2.gz ZDILUHUIIQFQSW-WCQYABFASA-N -1 1 358.232 2.527 20 10 FFCDMM O=C([O-])[C@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000846779382 1000427806 /nfs/dbraw/zinc/42/78/06/1000427806.db2.gz NMEKXMQXRFXJMR-GOSISDBHSA-N -1 1 362.376 2.717 20 10 FFCDMM Cc1cc(C)c(O)c2c1CC(C)(C)[C@H]2NC(=O)c1c(CO)cnc(C)c1[O-] ZINC001147848437 1000990335 /nfs/dbraw/zinc/99/03/35/1000990335.db2.gz KSWIOAYGNLSNCI-IBGZPJMESA-N -1 1 370.449 2.964 20 10 FFCDMM O=C(CNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2)c1ccc([O-])c(O)c1 ZINC001148948708 1001238875 /nfs/dbraw/zinc/23/88/75/1001238875.db2.gz ZUAUTWQEBNPHCW-UHFFFAOYSA-N -1 1 373.364 2.922 20 10 FFCDMM COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1C ZINC000787238215 1001679406 /nfs/dbraw/zinc/67/94/06/1001679406.db2.gz KHDPTEUNKHKVRN-HIFRSBDPSA-N -1 1 369.417 2.712 20 10 FFCDMM COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1C ZINC000787238215 1001679407 /nfs/dbraw/zinc/67/94/07/1001679407.db2.gz KHDPTEUNKHKVRN-HIFRSBDPSA-N -1 1 369.417 2.712 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(-c3cnco3)cc2)ccc1O ZINC001185221128 1002869101 /nfs/dbraw/zinc/86/91/01/1002869101.db2.gz IXULDWPGTQEDGT-UHFFFAOYSA-N -1 1 374.374 2.635 20 10 FFCDMM CN(c1ccccc1)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001170315898 1003106796 /nfs/dbraw/zinc/10/67/96/1003106796.db2.gz JABGDIDJCYTPFM-UHFFFAOYSA-N -1 1 350.378 2.951 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775052532 1003433856 /nfs/dbraw/zinc/43/38/56/1003433856.db2.gz UYWJJGMDBBAMGH-INIZCTEOSA-N -1 1 358.394 2.753 20 10 FFCDMM C[C@H](c1ccccc1)N(Cc1ccccc1O)C(=O)CCc1nn[n-]n1 ZINC000867222647 1004057602 /nfs/dbraw/zinc/05/76/02/1004057602.db2.gz KPCYHMUTFOZVSW-CQSZACIVSA-N -1 1 351.410 2.628 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)ccc1O ZINC001197240486 1004136336 /nfs/dbraw/zinc/13/63/36/1004136336.db2.gz DTWMUWCMMCVOFS-UHFFFAOYSA-N -1 1 373.386 2.838 20 10 FFCDMM CCOC(=O)C1(CC)CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193232496 1004411975 /nfs/dbraw/zinc/41/19/75/1004411975.db2.gz LNLYKDGFXFARTP-UHFFFAOYSA-N -1 1 355.818 2.947 20 10 FFCDMM COC(=O)[C@@](C)(Cc1ccccc1)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247546 1004418130 /nfs/dbraw/zinc/41/81/30/1004418130.db2.gz ZIPJVXSEPLGWKU-GOSISDBHSA-N -1 1 363.797 2.655 20 10 FFCDMM CC1(C)C(=O)NCc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)ccc21 ZINC001193230647 1004429485 /nfs/dbraw/zinc/42/94/85/1004429485.db2.gz ZGVPKRLGAKIILA-UHFFFAOYSA-N -1 1 360.797 2.911 20 10 FFCDMM Nc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1ccccc1NN=C1C=CC(=O)C=C1 ZINC001195260812 1004925627 /nfs/dbraw/zinc/92/56/27/1004925627.db2.gz AIPJTOQNMWWPPL-GHVJWSGMSA-N -1 1 366.337 2.843 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ncn(-c3ccccc3)n2)c1 ZINC000815658242 1006728949 /nfs/dbraw/zinc/72/89/49/1006728949.db2.gz XBQXBIDZMJHUMQ-CYBMUJFWSA-N -1 1 352.394 2.610 20 10 FFCDMM COc1ccc(N2CCC(NC(=O)c3cc(C)cc(C=O)c3[O-])CC2)cc1 ZINC001136546842 1008527016 /nfs/dbraw/zinc/52/70/16/1008527016.db2.gz ZLRBYHSGRHUYPV-UHFFFAOYSA-N -1 1 368.433 2.921 20 10 FFCDMM CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180409862 1009684705 /nfs/dbraw/zinc/68/47/05/1009684705.db2.gz HDTDWJMBBRIZIV-RKXVYHDYSA-N -1 1 368.886 2.920 20 10 FFCDMM CC(C)CN1CC[C@@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274706599 1011603623 /nfs/dbraw/zinc/60/36/23/1011603623.db2.gz QFBUSINBCSCHFY-SFHVURJKSA-N -1 1 366.845 2.614 20 10 FFCDMM Cn1[n-]c(CN2CCCc3cc(OCc4ccccc4)ccc32)nc1=O ZINC000754042338 1023417691 /nfs/dbraw/zinc/41/76/91/1023417691.db2.gz AIYFSSFKOCSAFM-UHFFFAOYSA-N -1 1 350.422 2.640 20 10 FFCDMM O=C(c1ccccc1)N1CCO[C@@H]2C[N@H+](Cc3c(O)cccc3F)C[C@@H]2C1 ZINC001137835606 1033174444 /nfs/dbraw/zinc/17/44/44/1033174444.db2.gz KWBBYKTYOKNWPW-OXQOHEQNSA-N -1 1 370.424 2.504 20 10 FFCDMM O=C(C=Cc1ccc(O)c(O)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000779532833 1023980337 /nfs/dbraw/zinc/98/03/37/1023980337.db2.gz UBPAUDKHPYXJLK-WAPJZHGLSA-N -1 1 367.401 2.938 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC2(CC1)OCCc1ccccc12 ZINC000839792402 1026830353 /nfs/dbraw/zinc/83/03/53/1026830353.db2.gz MSMHJEIOWLGQPF-UHFFFAOYSA-N -1 1 357.381 2.941 20 10 FFCDMM CCOC(=O)c1cc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001159277320 1027332668 /nfs/dbraw/zinc/33/26/68/1027332668.db2.gz UMGMULGMABLJFL-UHFFFAOYSA-N -1 1 364.785 2.926 20 10 FFCDMM COc1cccc2nc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)c21 ZINC001159279512 1027336335 /nfs/dbraw/zinc/33/63/35/1027336335.db2.gz QUFIPXVWLGYPQL-UHFFFAOYSA-N -1 1 359.769 2.998 20 10 FFCDMM CN(C(=O)c1cc2cc(O)c([O-])cc2oc1=O)[C@@H]1CCc2ccccc21 ZINC001155228625 1028635751 /nfs/dbraw/zinc/63/57/51/1028635751.db2.gz UOVUXHKFTNJHJP-OAHLLOKOSA-N -1 1 351.358 2.964 20 10 FFCDMM CC1(C)OCCC12CCN(C(=O)c1cc3cc(O)c([O-])cc3oc1=O)CC2 ZINC001155227579 1028635914 /nfs/dbraw/zinc/63/59/14/1028635914.db2.gz ASPGPLCMUBYILJ-UHFFFAOYSA-N -1 1 373.405 2.626 20 10 FFCDMM O=C(N[C@H](c1ncccc1F)C1CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235970 1028642273 /nfs/dbraw/zinc/64/22/73/1028642273.db2.gz WOVPRQWOWUKJKJ-INIZCTEOSA-N -1 1 370.336 2.619 20 10 FFCDMM O=C(COC(=O)c1ccc(OC2CCOCC2)cc1)c1ccc([O-])c(O)c1 ZINC000783863696 1030310286 /nfs/dbraw/zinc/31/02/86/1030310286.db2.gz HOYGZCUKYZHOHM-UHFFFAOYSA-N -1 1 372.373 2.695 20 10 FFCDMM O=C(COC(=O)C1CC(OCc2ccccc2)C1)c1ccc([O-])c(O)c1 ZINC000783963624 1030366476 /nfs/dbraw/zinc/36/64/76/1030366476.db2.gz GCXMITIDHICRDI-UHFFFAOYSA-N -1 1 356.374 2.819 20 10 FFCDMM O=C(Cc1cccc(OC(F)(F)F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784316611 1030565633 /nfs/dbraw/zinc/56/56/33/1030565633.db2.gz YWGFAMOIGJGCOK-UHFFFAOYSA-N -1 1 370.279 2.965 20 10 FFCDMM O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142524735 1030577592 /nfs/dbraw/zinc/57/75/92/1030577592.db2.gz ISDCPDAFPQZTRW-AWEZNQCLSA-N -1 1 353.390 2.719 20 10 FFCDMM COc1cccc2[nH]cc(CC(=O)OCC(=O)c3ccc([O-])c(O)c3)c21 ZINC000784583737 1030699020 /nfs/dbraw/zinc/69/90/20/1030699020.db2.gz CGUFAXVNYWHEPZ-UHFFFAOYSA-N -1 1 355.346 2.556 20 10 FFCDMM CC(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784696232 1030761712 /nfs/dbraw/zinc/76/17/12/1030761712.db2.gz PCRITQHNKDWGLL-FLIBITNWSA-N -1 1 357.318 2.835 20 10 FFCDMM CN(Cc1c(F)ccc(F)c1[O-])C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001139685490 1035198017 /nfs/dbraw/zinc/19/80/17/1035198017.db2.gz LNHMDGJVKBTGGB-GFCCVEGCSA-N -1 1 372.412 2.738 20 10 FFCDMM CCCOC(=O)[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228114584 1035941845 /nfs/dbraw/zinc/94/18/45/1035941845.db2.gz IMJFOLWACQMCJN-LLVKDONJSA-N -1 1 360.362 2.755 20 10 FFCDMM CCO[C@H]1CCCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])C1 ZINC001233307477 1036512617 /nfs/dbraw/zinc/51/26/17/1036512617.db2.gz DYSAGRNOYAYWFU-ZDUSSCGKSA-N -1 1 372.259 2.942 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H](OC)C[C@@H]2C)c1 ZINC001233309483 1036515287 /nfs/dbraw/zinc/51/52/87/1036515287.db2.gz LKANGEKDXBPXPU-GXFFZTMASA-N -1 1 372.259 2.941 20 10 FFCDMM CC(C)N(C)C(=O)c1noc2c1CN(Cc1c([O-])ccc(F)c1F)CC2 ZINC001233333441 1036537290 /nfs/dbraw/zinc/53/72/90/1036537290.db2.gz VRPOHQBVHIHULM-UHFFFAOYSA-N -1 1 365.380 2.697 20 10 FFCDMM COC(=O)[C@H]1C[C@@H]2COC[C@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418278 1036611774 /nfs/dbraw/zinc/61/17/74/1036611774.db2.gz AADJDNOHEUPSES-CLLJXQQHSA-N -1 1 359.344 2.563 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001234473619 1037050374 /nfs/dbraw/zinc/05/03/74/1037050374.db2.gz IZMFJIFQYHZWAB-NHYWBVRUSA-N -1 1 355.362 2.637 20 10 FFCDMM O=C1NCCC2(CCN(Cc3cc(F)cc(Br)c3[O-])CC2)O1 ZINC001235304925 1037464342 /nfs/dbraw/zinc/46/43/42/1037464342.db2.gz GNHZPXAGAHAJCB-UHFFFAOYSA-N -1 1 373.222 2.758 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CC[C@H]1F ZINC001231455289 1037598474 /nfs/dbraw/zinc/59/84/74/1037598474.db2.gz MLJZCIIVKRQJNX-KGLIPLIRSA-N -1 1 368.405 2.528 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C3CCC3)CC2)c1 ZINC001236670433 1038182909 /nfs/dbraw/zinc/18/29/09/1038182909.db2.gz YHFDTJHFKWRONV-UHFFFAOYSA-N -1 1 367.287 2.907 20 10 FFCDMM CN1CCN(c2cccc([N-]S(=O)(=O)c3cc(F)ccc3F)c2)CC1 ZINC001258946162 1039606284 /nfs/dbraw/zinc/60/62/84/1039606284.db2.gz QRKNZRVFUDUPQQ-UHFFFAOYSA-N -1 1 367.421 2.517 20 10 FFCDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1cc(F)c([O-])cc1F)C(=O)C2 ZINC001258986917 1039641789 /nfs/dbraw/zinc/64/17/89/1039641789.db2.gz KJCRFWCKMZZFNC-JDNHERCYSA-N -1 1 359.394 2.808 20 10 FFCDMM O=S(=O)([N-]Cc1cccc(Cl)c1O)c1cc(F)c(F)cc1F ZINC001214002764 1041153683 /nfs/dbraw/zinc/15/36/83/1041153683.db2.gz CYHMJQINOOCCDB-UHFFFAOYSA-N -1 1 351.733 2.941 20 10 FFCDMM O=C(N[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)N1CCCC1 ZINC001237623309 1043279802 /nfs/dbraw/zinc/27/98/02/1043279802.db2.gz LUQLHBQCCQLBFC-CQSZACIVSA-N -1 1 355.841 2.955 20 10 FFCDMM Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001237759632 1043345010 /nfs/dbraw/zinc/34/50/10/1043345010.db2.gz FCIWLWQBBXUGPP-UHFFFAOYSA-N -1 1 359.194 2.913 20 10 FFCDMM COc1cc(C)nc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237803859 1043367588 /nfs/dbraw/zinc/36/75/88/1043367588.db2.gz VHMFLAMHUJOURF-CYBMUJFWSA-N -1 1 367.808 2.945 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(c2ccc(Cl)nn2)CC1 ZINC001237948321 1043451031 /nfs/dbraw/zinc/45/10/31/1043451031.db2.gz CMSSALJUKDBOOJ-UHFFFAOYSA-N -1 1 357.216 2.950 20 10 FFCDMM Cc1noc(NC(=O)[C@@H]2CC23CN(Cc2c(F)ccc(F)c2[O-])C3)c1C ZINC001279731993 1043547153 /nfs/dbraw/zinc/54/71/53/1043547153.db2.gz BHLGPRDLBRXXDI-LBPRGKRZSA-N -1 1 363.364 2.736 20 10 FFCDMM CC(C)(C)NC(=O)[C@@H]1CCN(Cc2c([O-])cccc2F)Cc2ccnn21 ZINC001280007145 1044078941 /nfs/dbraw/zinc/07/89/41/1044078941.db2.gz ZZKZFSDFKATUPU-INIZCTEOSA-N -1 1 360.433 2.590 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]2[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001333626369 1049013796 /nfs/dbraw/zinc/01/37/96/1049013796.db2.gz RBEKWFPRRZVHBP-SGMGOOAPSA-N -1 1 366.845 2.917 20 10 FFCDMM CC[C@@H](C)c1nc(C)c(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1 ZINC000848867185 1055266088 /nfs/dbraw/zinc/26/60/88/1055266088.db2.gz VUHRJRJFDKWSII-LLVKDONJSA-N -1 1 372.421 2.987 20 10 FFCDMM CCN(C(=O)CNC(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC001479333546 1062323135 /nfs/dbraw/zinc/32/31/35/1062323135.db2.gz YFPBSJDRMZNCOJ-UHFFFAOYSA-N -1 1 361.829 2.898 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CNc1ccc(-n2cnnn2)cc1 ZINC001560376497 1076268708 /nfs/dbraw/zinc/26/87/08/1076268708.db2.gz OUEGSJVVABKYFR-UHFFFAOYSA-N -1 1 364.178 2.882 20 10 FFCDMM Cn1cnnc1NCc1cc(Br)cc(Br)c1[O-] ZINC001560499222 1076276408 /nfs/dbraw/zinc/27/64/08/1076276408.db2.gz SEHTWDFRZHBISI-UHFFFAOYSA-N -1 1 362.025 2.658 20 10 FFCDMM O=C1CS(=O)(=O)c2cc(NCc3cc(Cl)cc(F)c3[O-])ccc2N1 ZINC001560578593 1076281179 /nfs/dbraw/zinc/28/11/79/1076281179.db2.gz ZFXUYXJAYAOBJV-UHFFFAOYSA-N -1 1 370.789 2.523 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)NC(C)(C)CC(=O)[O-])C1 ZINC001588923114 1080268372 /nfs/dbraw/zinc/26/83/72/1080268372.db2.gz DHLGWKPTRTYTRY-UHFFFAOYSA-N -1 1 371.481 2.777 20 10 FFCDMM C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(F)c(F)c1[O-] ZINC000187668834 510377735 /nfs/dbraw/zinc/37/77/35/510377735.db2.gz XKWQMXKNCAMCAR-CYBMUJFWSA-N -1 1 362.424 2.668 20 10 FFCDMM CN1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000276656406 510944588 /nfs/dbraw/zinc/94/45/88/510944588.db2.gz XKUDTZCSVNNRRF-XJKSGUPXSA-N -1 1 366.339 2.690 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000276722807 510945864 /nfs/dbraw/zinc/94/58/64/510945864.db2.gz SGDKIZSJAOLJRK-UHFFFAOYSA-N -1 1 362.376 2.724 20 10 FFCDMM COc1ccccc1N1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000294778108 511174501 /nfs/dbraw/zinc/17/45/01/511174501.db2.gz CIWAXAAQQQDWFR-UHFFFAOYSA-N -1 1 360.385 2.644 20 10 FFCDMM CCOC(=O)C1([S@@](C)=O)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000294867046 511202553 /nfs/dbraw/zinc/20/25/53/511202553.db2.gz UKOPCHXVGLAMGE-XMMPIXPASA-N -1 1 373.902 2.630 20 10 FFCDMM CCc1nc([C@@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])no1 ZINC000365826342 511670855 /nfs/dbraw/zinc/67/08/55/511670855.db2.gz PTQVYXJYXGFESW-ZDUSSCGKSA-N -1 1 362.386 2.982 20 10 FFCDMM O=C(C=Cc1ccc(O)c(O)c1)N1CCC(C(=O)c2ccc([O-])cc2)CC1 ZINC000370368427 512897975 /nfs/dbraw/zinc/89/79/75/512897975.db2.gz UBPAUDKHPYXJLK-KRXBUXKQSA-N -1 1 367.401 2.938 20 10 FFCDMM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000528281972 518162704 /nfs/dbraw/zinc/16/27/04/518162704.db2.gz QEZGYASQYLHUEZ-BSTOTGJRSA-N -1 1 357.248 2.766 20 10 FFCDMM CCN(CC)c1ccc(CNc2nccc(-c3nnn[n-]3)c2[N+](=O)[O-])cc1 ZINC000821196972 606699628 /nfs/dbraw/zinc/69/96/28/606699628.db2.gz DIUXCCKXPBBPMZ-UHFFFAOYSA-N -1 1 368.401 2.628 20 10 FFCDMM CCN(CC)c1ccc(CNc2nccc(-c3nn[n-]n3)c2[N+](=O)[O-])cc1 ZINC000821196972 606699630 /nfs/dbraw/zinc/69/96/30/606699630.db2.gz DIUXCCKXPBBPMZ-UHFFFAOYSA-N -1 1 368.401 2.628 20 10 FFCDMM O=C(NCc1ccccc1O)c1cc(I)ccc1[O-] ZINC000225107805 729547852 /nfs/dbraw/zinc/54/78/52/729547852.db2.gz NDPZZBGFJMGKQZ-UHFFFAOYSA-N -1 1 369.158 2.632 20 10 FFCDMM COCCNS(=O)(=O)c1cccc(NCc2cccc(Cl)c2[O-])c1 ZINC000862550155 730708370 /nfs/dbraw/zinc/70/83/70/730708370.db2.gz IZDBRECRNBONPF-UHFFFAOYSA-N -1 1 370.858 2.582 20 10 FFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000874048114 732001264 /nfs/dbraw/zinc/00/12/64/732001264.db2.gz KEEOTEDDCNGVLZ-JQWIXIFHSA-N -1 1 367.808 2.609 20 10 FFCDMM CC[C@@H](NCc1nnc2c(=O)[nH]ccn12)c1ccc(Cl)c(Cl)c1[O-] ZINC000886704263 733819919 /nfs/dbraw/zinc/81/99/19/733819919.db2.gz AATQAAGTYHOQHT-SNVBAGLBSA-N -1 1 368.224 2.671 20 10 FFCDMM COC(=O)[C@@H](C[C@@H]1CCCO1)NCc1cc(C)cc(Br)c1[O-] ZINC000895861628 735065718 /nfs/dbraw/zinc/06/57/18/735065718.db2.gz FRUHHHUZKSBPSE-GXTWGEPZSA-N -1 1 372.259 2.663 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC[C@H](C2CC2)O1 ZINC000897198831 735205645 /nfs/dbraw/zinc/20/56/45/735205645.db2.gz BZIUVZWRKXLALJ-TZMCWYRMSA-N -1 1 369.259 2.912 20 10 FFCDMM CCOC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCCOC1 ZINC000754259121 736141157 /nfs/dbraw/zinc/14/11/57/736141157.db2.gz GSKIYSBKKQNYKZ-LRDDRELGSA-N -1 1 369.845 2.696 20 10 FFCDMM C[C@H]1CC(NC(=O)NCc2cccc(Br)c2[O-])C[C@H](C)O1 ZINC000764800703 737051195 /nfs/dbraw/zinc/05/11/95/737051195.db2.gz QTRMCURSSXVPRR-UWVGGRQHSA-N -1 1 357.248 2.910 20 10 FFCDMM O=C(Cc1ccc2c(c1)CCO2)NCc1cccc(Br)c1[O-] ZINC000765732773 737150333 /nfs/dbraw/zinc/15/03/33/737150333.db2.gz SIIMGXSJRYSBKT-UHFFFAOYSA-N -1 1 362.223 2.949 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H](O)CCc1ccccc1 ZINC000765732872 737150963 /nfs/dbraw/zinc/15/09/63/737150963.db2.gz UEFVGSLCEBIMTA-OAHLLOKOSA-N -1 1 364.239 2.765 20 10 FFCDMM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765770999 737156860 /nfs/dbraw/zinc/15/68/60/737156860.db2.gz UYORWJCBPXZHQI-VIFPVBQESA-N -1 1 366.259 2.925 20 10 FFCDMM O=C(CSc1ccc([N+](=O)[O-])cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916591564 737713543 /nfs/dbraw/zinc/71/35/43/737713543.db2.gz VTAGKFSNOVTMSI-UHFFFAOYSA-N -1 1 363.347 2.524 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2ccccc2C(F)(F)F)C(=O)[N-]C1=S ZINC000920974264 737937403 /nfs/dbraw/zinc/93/74/03/737937403.db2.gz GPZDBYXIWUPPAJ-YFHOEESVSA-N -1 1 371.384 2.901 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(C)c1C ZINC000775286176 738078171 /nfs/dbraw/zinc/07/81/71/738078171.db2.gz FPQVVHOVDWIYOB-UHFFFAOYSA-N -1 1 365.407 2.605 20 10 FFCDMM O=C1CSc2ncnc(NCc3cccc(Br)c3[O-])c2N1 ZINC000784495295 738898138 /nfs/dbraw/zinc/89/81/38/738898138.db2.gz QOLHROCSRMUDKM-UHFFFAOYSA-N -1 1 367.228 2.601 20 10 FFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCCOC)cc1 ZINC000790411345 739449865 /nfs/dbraw/zinc/44/98/65/739449865.db2.gz KNBDQTLHGRCYTB-UHFFFAOYSA-N -1 1 367.423 2.617 20 10 FFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000790411877 739450361 /nfs/dbraw/zinc/45/03/61/739450361.db2.gz SJIOVVCLTIJOIH-UHFFFAOYSA-N -1 1 355.387 2.751 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(F)cc(C(=O)OC)c1 ZINC000790416401 739451359 /nfs/dbraw/zinc/45/13/59/739451359.db2.gz WRFAIQKJMSPWPF-UHFFFAOYSA-N -1 1 353.371 2.681 20 10 FFCDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1F ZINC000808113555 741187733 /nfs/dbraw/zinc/18/77/33/741187733.db2.gz CUPQQKKVGGFZMX-UHFFFAOYSA-N -1 1 363.725 2.823 20 10 FFCDMM O=C1[N-]C(=S)S/C1=C\c1cn(-c2ccccc2Br)nn1 ZINC000811685348 741548507 /nfs/dbraw/zinc/54/85/07/741548507.db2.gz PNOFIGMTRJSNHU-YHYXMXQVSA-N -1 1 367.253 2.519 20 10 FFCDMM CCOCCOc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000830184476 745320291 /nfs/dbraw/zinc/32/02/91/745320291.db2.gz IBJPFBSEPGPBCG-UHFFFAOYSA-N -1 1 373.377 2.887 20 10 FFCDMM CCOCCOCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000834475777 745846241 /nfs/dbraw/zinc/84/62/41/745846241.db2.gz DANWSPNVZCCYRI-UHFFFAOYSA-N -1 1 360.248 2.604 20 10 FFCDMM Cc1cc(C(=O)N2CCN(Cc3c([O-])ccc(Cl)c3F)[C@H](C)C2)n[nH]1 ZINC000835072932 745945206 /nfs/dbraw/zinc/94/52/06/745945206.db2.gz HJYALVUUOXRRFZ-LLVKDONJSA-N -1 1 366.824 2.563 20 10 FFCDMM C[N@@H+](CCC(=O)[O-])Cc1cc(Br)cc(Br)c1[O-] ZINC000840997495 747252876 /nfs/dbraw/zinc/25/28/76/747252876.db2.gz QDEFWFZALRJOQC-UHFFFAOYSA-N -1 1 367.037 2.824 20 10 FFCDMM COc1c([O-])c(CN[C@@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848927276 749036842 /nfs/dbraw/zinc/03/68/42/749036842.db2.gz DSIBTBMIJSWCAB-PWSUYJOCSA-N -1 1 364.320 2.899 20 10 FFCDMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1C ZINC000392567940 845854096 /nfs/dbraw/zinc/85/40/96/845854096.db2.gz PGRVRCOROUADEG-UHFFFAOYSA-N -1 1 352.412 2.623 20 10 FFCDMM COc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OC(F)F)c1 ZINC000784902721 958901972 /nfs/dbraw/zinc/90/19/72/958901972.db2.gz ABPKAKWZOVUCAS-UHFFFAOYSA-N -1 1 368.288 2.748 20 10 FFCDMM Nc1ccc(Br)cc1S(=O)(=O)[N-]c1ccc(O)c(F)c1 ZINC001174737845 1013293760 /nfs/dbraw/zinc/29/37/60/1013293760.db2.gz GJQUTCMYSSUUGU-UHFFFAOYSA-N -1 1 361.192 2.677 20 10 FFCDMM O=C(NCC1CCN(C(=O)c2ccccc2)CC1)c1c(F)ccc(O)c1[O-] ZINC000825980767 1014634677 /nfs/dbraw/zinc/63/46/77/1014634677.db2.gz IRDACGIVQMQIRI-UHFFFAOYSA-N -1 1 372.396 2.519 20 10 FFCDMM COc1ccc([C@H]2CN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CCO2)cc1 ZINC000877757003 1014714584 /nfs/dbraw/zinc/71/45/84/1014714584.db2.gz FUVPIWSOLPZIPS-QGZVFWFLSA-N -1 1 374.393 2.891 20 10 FFCDMM CCN(Cc1oncc1C(=O)[O-])Cc1cc(Br)ccc1O ZINC001596354578 983819904 /nfs/dbraw/zinc/81/99/04/983819904.db2.gz YZPVDSMFIDJYOI-UHFFFAOYSA-N -1 1 355.188 2.863 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)cc1C(=O)[O-] ZINC001597044072 986501473 /nfs/dbraw/zinc/50/14/73/986501473.db2.gz ADBPGXBPFICDCQ-UHFFFAOYSA-N -1 1 371.798 2.943 20 10 FFCDMM COc1cc(O)c(CN2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1OC ZINC001599445880 998008946 /nfs/dbraw/zinc/00/89/46/998008946.db2.gz JOXCWPDTKULSCL-UHFFFAOYSA-N -1 1 373.405 2.675 20 10 FFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H]1c1cccc(F)c1 ZINC000846251877 1000245236 /nfs/dbraw/zinc/24/52/36/1000245236.db2.gz LSVSOJMRVWBRTK-PIGZYNQJSA-N -1 1 370.384 2.855 20 10 FFCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c2cccnc12 ZINC000769649366 1000568550 /nfs/dbraw/zinc/56/85/50/1000568550.db2.gz SQYOVIWUROYRPI-UHFFFAOYSA-N -1 1 371.418 2.873 20 10 FFCDMM C[C@H](CSC(=O)c1ccccc1)C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001183087826 1002144947 /nfs/dbraw/zinc/14/49/47/1002144947.db2.gz FWOUYICJOKGWFD-GFCCVEGCSA-N -1 1 373.430 2.606 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(N2CCCC2=O)c1 ZINC000789964200 1002240628 /nfs/dbraw/zinc/24/06/28/1002240628.db2.gz LJVVCQUKCNGDSQ-LLVKDONJSA-N -1 1 358.369 2.855 20 10 FFCDMM COC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)c2ncccc12 ZINC001170314597 1003104955 /nfs/dbraw/zinc/10/49/55/1003104955.db2.gz GHLDISCJRUSRKD-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cncc(Br)c1 ZINC001186418230 1003314830 /nfs/dbraw/zinc/31/48/30/1003314830.db2.gz KRQOYEDIGNEIFF-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM Nc1ccc(N(Cc2ccccc2)C(=O)c2c[nH]c(=S)[n-]c2=O)cc1 ZINC001196020497 1003637865 /nfs/dbraw/zinc/63/78/65/1003637865.db2.gz IMZMAFYCEHHTST-UHFFFAOYSA-N -1 1 352.419 2.900 20 10 FFCDMM Cc1nc(Cl)cc(Cl)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001196698712 1003918356 /nfs/dbraw/zinc/91/83/56/1003918356.db2.gz QPUPOIAVCCTMQU-UHFFFAOYSA-N -1 1 355.177 2.721 20 10 FFCDMM CCOC(=O)C[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C[C@H]1C ZINC001193232430 1004411322 /nfs/dbraw/zinc/41/13/22/1004411322.db2.gz JBYXKTIRPOMIAJ-MNOVXSKESA-N -1 1 355.818 2.803 20 10 FFCDMM COc1nc(Cl)ccc1S(=O)(=O)Nc1c(F)cc([O-])cc1F ZINC001198701981 1004702103 /nfs/dbraw/zinc/70/21/03/1004702103.db2.gz VRCGHXYTYPWHEO-UHFFFAOYSA-N -1 1 350.730 2.528 20 10 FFCDMM Cc1sc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])nc1C(C)C ZINC000855234672 1007201933 /nfs/dbraw/zinc/20/19/33/1007201933.db2.gz IUGWJGSYBPBMTD-UHFFFAOYSA-N -1 1 369.468 2.904 20 10 FFCDMM COc1ccc(C(F)(F)F)cc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001190072238 1007455820 /nfs/dbraw/zinc/45/58/20/1007455820.db2.gz VCRABVWBKNUZBO-UHFFFAOYSA-N -1 1 369.295 2.738 20 10 FFCDMM Cc1n[nH]c(C)c1-c1ccccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001190184437 1007488140 /nfs/dbraw/zinc/48/81/40/1007488140.db2.gz AHDBDPOINLPNMQ-UHFFFAOYSA-N -1 1 365.389 2.717 20 10 FFCDMM COc1ccccc1N1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC001180410182 1009684630 /nfs/dbraw/zinc/68/46/30/1009684630.db2.gz LEEGCQKKUXATID-ZDUSSCGKSA-N -1 1 374.824 2.724 20 10 FFCDMM COc1ccc2cccc(CC(=O)NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001181240729 1010018891 /nfs/dbraw/zinc/01/88/91/1010018891.db2.gz XFQOCNNLJWLXKC-UHFFFAOYSA-N -1 1 365.385 2.801 20 10 FFCDMM COc1ccc2nc(NCC(=O)c3ccc([O-])c(O)c3)c(Cl)nc2c1 ZINC001159277763 1027331824 /nfs/dbraw/zinc/33/18/24/1027331824.db2.gz YYFJEARLQPZDQE-UHFFFAOYSA-N -1 1 359.769 2.998 20 10 FFCDMM COc1ccc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)nc1Cl ZINC001159279002 1027334023 /nfs/dbraw/zinc/33/40/23/1027334023.db2.gz IJDDOKHYJQBFFF-UHFFFAOYSA-N -1 1 358.728 2.677 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1cc(C)cc(C)c1 ZINC001153001738 1027741885 /nfs/dbraw/zinc/74/18/85/1027741885.db2.gz NZPCEJFSJPDYSQ-MRXNPFEDSA-N -1 1 364.453 2.854 20 10 FFCDMM Cn1ccc2cc(CNC(=O)c3cc4cc(O)c([O-])cc4oc3=O)ccc21 ZINC001155218037 1028627735 /nfs/dbraw/zinc/62/77/35/1028627735.db2.gz FJNOUSVHKUAMLZ-UHFFFAOYSA-N -1 1 364.357 2.626 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CC[C@@H](c2ccccc2F)C1 ZINC001155224236 1028631952 /nfs/dbraw/zinc/63/19/52/1028631952.db2.gz BYCIXLALLZOTSF-LLVKDONJSA-N -1 1 369.348 2.973 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCC[C@@H]1c1nccs1 ZINC001155224782 1028633704 /nfs/dbraw/zinc/63/37/04/1028633704.db2.gz FTHDQMOWQJEWQD-LLVKDONJSA-N -1 1 358.375 2.638 20 10 FFCDMM O=C(N[C@H](c1ccnc(F)c1)C1CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234928 1028639865 /nfs/dbraw/zinc/63/98/65/1028639865.db2.gz CTFCRIOMVQJECO-KRWDZBQOSA-N -1 1 370.336 2.619 20 10 FFCDMM CCN(CC)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783584543 1030168321 /nfs/dbraw/zinc/16/83/21/1030168321.db2.gz AGQIHXKHALQVSC-LJQANCHMSA-N -1 1 357.406 2.907 20 10 FFCDMM CC(C)Cn1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C(F)F ZINC000784406236 1030606709 /nfs/dbraw/zinc/60/67/09/1030606709.db2.gz RMJFPRRRDLWOEI-UHFFFAOYSA-N -1 1 368.336 2.928 20 10 FFCDMM N[C@@H](CC1CCC1)C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001218920668 1033409347 /nfs/dbraw/zinc/40/93/47/1033409347.db2.gz YXGZEFKYJYWYAU-INIZCTEOSA-N -1 1 364.401 2.624 20 10 FFCDMM [O-]c1c(F)ccc(F)c1CN1C[C@@H]2C[N@H+](Cc3ccco3)CCO[C@@H]2C1 ZINC001139682256 1035197033 /nfs/dbraw/zinc/19/70/33/1035197033.db2.gz UMIXKYPJGUZQQR-SCLBCKFNSA-N -1 1 364.392 2.596 20 10 FFCDMM O=c1c2ccccc2nnn1C1CCN(Cc2c(F)ccc(F)c2[O-])CC1 ZINC001139685913 1035198080 /nfs/dbraw/zinc/19/80/80/1035198080.db2.gz DYZQYDOHAJMOLO-UHFFFAOYSA-N -1 1 372.375 2.612 20 10 FFCDMM CCNc1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC001139974511 1035294697 /nfs/dbraw/zinc/29/46/97/1035294697.db2.gz FOVQEYGZCCEVFM-UHFFFAOYSA-N -1 1 350.216 2.912 20 10 FFCDMM [O-]c1cccc(Cl)c1CN1CCn2c(COc3ccccn3)nnc2C1 ZINC001140339677 1035443425 /nfs/dbraw/zinc/44/34/25/1035443425.db2.gz LDHGZIRNZZRDJZ-UHFFFAOYSA-N -1 1 371.828 2.627 20 10 FFCDMM CCOC(=O)[C@H]1C[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227576629 1035614300 /nfs/dbraw/zinc/61/43/00/1035614300.db2.gz CJPRLDZYXCNHKC-TXEJJXNPSA-N -1 1 366.369 2.888 20 10 FFCDMM CC1=C(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C(=O)O[C@@H]1C ZINC001227581272 1035618344 /nfs/dbraw/zinc/61/83/44/1035618344.db2.gz YUAYRINZOHYZHZ-SNVBAGLBSA-N -1 1 350.326 2.766 20 10 FFCDMM Cc1noc([C@H]2C[C@@H]3CCN(Cc4c([O-])cc(F)cc4F)C[C@H]3O2)n1 ZINC001140581105 1035661221 /nfs/dbraw/zinc/66/12/21/1035661221.db2.gz LUFFFGDAGKXQBJ-AMKSKSKJSA-N -1 1 351.353 2.714 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@H](OC)C2)c1 ZINC001233305534 1036511953 /nfs/dbraw/zinc/51/19/53/1036511953.db2.gz KBCDOYLFOOSDLH-LBPRGKRZSA-N -1 1 358.232 2.552 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC3(C2)CCOCC3)c1 ZINC001233307822 1036513038 /nfs/dbraw/zinc/51/30/38/1036513038.db2.gz RJSKRCPQVSFYJU-UHFFFAOYSA-N -1 1 370.243 2.554 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001233309060 1036515172 /nfs/dbraw/zinc/51/51/72/1036515172.db2.gz RBZAXMVKJVEXGB-CNDDSTCGSA-N -1 1 358.207 2.589 20 10 FFCDMM CCOC(=O)c1c2c(nn1C)CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233419526 1036613047 /nfs/dbraw/zinc/61/30/47/1036613047.db2.gz BATSEGVTPSXLLE-UHFFFAOYSA-N -1 1 369.343 2.837 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@H](Oc2ncccn2)C1 ZINC001235305958 1037463954 /nfs/dbraw/zinc/46/39/54/1037463954.db2.gz BEFQMDYKYQOYHD-LBPRGKRZSA-N -1 1 368.206 2.737 20 10 FFCDMM CC[C@H](C)N1C[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277507553 1037539085 /nfs/dbraw/zinc/53/90/85/1037539085.db2.gz QMMBOBZKMAQRHZ-KPZWWZAWSA-N -1 1 370.852 2.787 20 10 FFCDMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)CCN1C(=O)OC(C)(C)C ZINC001231447979 1037584700 /nfs/dbraw/zinc/58/47/00/1037584700.db2.gz ZPDAQVHMNMNPJM-GFCCVEGCSA-N -1 1 350.415 2.532 20 10 FFCDMM CCOC(=O)[C@]12C[C@H]1CCN2Cc1cc(C)cc(Br)c1[O-] ZINC001236663967 1038179353 /nfs/dbraw/zinc/17/93/53/1038179353.db2.gz REKZMYVNLHRIIW-WBMJQRKESA-N -1 1 354.244 2.991 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC001236670629 1038183426 /nfs/dbraw/zinc/18/34/26/1038183426.db2.gz NXMCQHPCMXFRKU-BETUJISGSA-N -1 1 369.303 2.757 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@@H]1CO ZINC001237125857 1038451104 /nfs/dbraw/zinc/45/11/04/1038451104.db2.gz GRHUPDOBZHFBBK-LLVKDONJSA-N -1 1 374.840 2.598 20 10 FFCDMM CCN1CCC(N(C)S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251409069 1039114838 /nfs/dbraw/zinc/11/48/38/1039114838.db2.gz JIRJVXWHGKMUHO-UHFFFAOYSA-N -1 1 367.298 2.804 20 10 FFCDMM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CCC(N2CCC2)CC1 ZINC001251416109 1039119375 /nfs/dbraw/zinc/11/93/75/1039119375.db2.gz ZUBKOXIVXADRGH-UHFFFAOYSA-N -1 1 365.282 2.558 20 10 FFCDMM CCn1ccnc1CN1CCC2(CN(Cc3c(F)ccc(F)c3[O-])C2)C1 ZINC001278688436 1039835166 /nfs/dbraw/zinc/83/51/66/1039835166.db2.gz XHPVNZKJKVJKBG-UHFFFAOYSA-N -1 1 362.424 2.595 20 10 FFCDMM COc1ccc(CN2CC(C(F)F)C2)c([O-])c1I ZINC001248501728 1040304519 /nfs/dbraw/zinc/30/45/19/1040304519.db2.gz RVHGGJYVADWYLI-UHFFFAOYSA-N -1 1 369.149 2.702 20 10 FFCDMM CC[C@H](C)[C@H](NC(=O)C(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001262776540 1041849790 /nfs/dbraw/zinc/84/97/90/1041849790.db2.gz HCKJZQLVLKPZPU-UFBFGSQYSA-N -1 1 366.767 2.755 20 10 FFCDMM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1cccnc1 ZINC001237623270 1043279201 /nfs/dbraw/zinc/27/92/01/1043279201.db2.gz KSFQXFOPEDJCFE-UHFFFAOYSA-N -1 1 363.820 2.974 20 10 FFCDMM COC[C@H]1CCCC[N@H+]1Cc1cccc(I)c1O ZINC001237776754 1043350788 /nfs/dbraw/zinc/35/07/88/1043350788.db2.gz LBIJELHRFIVKKL-GFCCVEGCSA-N -1 1 361.223 2.998 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2c(Br)nnc2C1 ZINC001237937215 1043443789 /nfs/dbraw/zinc/44/37/89/1043443789.db2.gz OIJZZOLDRRTVQD-UHFFFAOYSA-N -1 1 361.602 2.555 20 10 FFCDMM COc1cc(C)nc(N2CCN(Cc3cc(F)c(Cl)cc3[O-])CC2)n1 ZINC001237940458 1043446737 /nfs/dbraw/zinc/44/67/37/1043446737.db2.gz LLINORYBUNOHRJ-UHFFFAOYSA-N -1 1 366.824 2.614 20 10 FFCDMM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1cc(F)ccc1F ZINC000756359721 1043593574 /nfs/dbraw/zinc/59/35/74/1043593574.db2.gz DUYHGEPWQJACNJ-SFHVURJKSA-N -1 1 362.376 2.717 20 10 FFCDMM COC(=O)CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCC1 ZINC001313375047 1044337359 /nfs/dbraw/zinc/33/73/59/1044337359.db2.gz PWRTWJHVMJEVGQ-UHFFFAOYSA-N -1 1 354.834 2.968 20 10 FFCDMM [O-]c1c(Br)cc(Br)cc1CNCc1ncc[nH]1 ZINC001308889180 1052513524 /nfs/dbraw/zinc/51/35/24/1052513524.db2.gz FOGVUEUWTURCFJ-UHFFFAOYSA-N -1 1 361.037 2.930 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2cn3ccccc3n2)CC1 ZINC001462027986 1061480192 /nfs/dbraw/zinc/48/01/92/1061480192.db2.gz HFBZTTVIHXPHFQ-UHFFFAOYSA-N -1 1 358.392 2.636 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(Cl)c1 ZINC001558077391 1075938310 /nfs/dbraw/zinc/93/83/10/1075938310.db2.gz AJTWMQGJVNYCRX-ZDUSSCGKSA-N -1 1 370.844 2.890 20 10 FFCDMM Cc1ccc(CC(=O)N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)cc1 ZINC001560630924 1076286597 /nfs/dbraw/zinc/28/65/97/1076286597.db2.gz PMFBKWGXOYXZNW-UHFFFAOYSA-N -1 1 360.404 2.866 20 10 FFCDMM CCOC(=O)[C@@H]1C2CCC(CC2)N1Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC001560849739 1076304272 /nfs/dbraw/zinc/30/42/72/1076304272.db2.gz WPSRMELXJBQISZ-HGMXIMQMSA-N -1 1 364.398 2.615 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncoc1-c1ccon1 ZINC001568604408 1077102792 /nfs/dbraw/zinc/10/27/92/1077102792.db2.gz FTFFIZUSNGCXAA-UHFFFAOYSA-N -1 1 364.155 2.728 20 10 FFCDMM CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2c(F)ccc(O)c2[O-])c1 ZINC000276573097 510943031 /nfs/dbraw/zinc/94/30/31/510943031.db2.gz KSKJRUIVFFJTSR-NSHDSACASA-N -1 1 360.385 2.695 20 10 FFCDMM Cc1cc(C[C@H](C)NC(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000277330156 510960655 /nfs/dbraw/zinc/96/06/55/510960655.db2.gz FAKBUXWBBLEOEF-VIFPVBQESA-N -1 1 367.247 2.617 20 10 FFCDMM COc1c([O-])c(CNCc2csc([C@H](C)OC)n2)ccc1[N+](=O)[O-] ZINC000278295104 510988006 /nfs/dbraw/zinc/98/80/06/510988006.db2.gz CACFDPXINCTUHK-VIFPVBQESA-N -1 1 353.400 2.763 20 10 FFCDMM CN(C)c1ccc(CN(C(=O)c2ccc3n[n-]c(=S)n3c2)C2CC2)cc1 ZINC000294929729 511225322 /nfs/dbraw/zinc/22/53/22/511225322.db2.gz ULJDVZXCCYGDFP-UHFFFAOYSA-N -1 1 367.478 2.889 20 10 FFCDMM Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(O[C@@H]2CCOC2)c1 ZINC000295196541 511317044 /nfs/dbraw/zinc/31/70/44/511317044.db2.gz VNZRIQOZZKHUSH-CYBMUJFWSA-N -1 1 361.369 2.643 20 10 FFCDMM COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000273299406 511522031 /nfs/dbraw/zinc/52/20/31/511522031.db2.gz BAIJCTUCUIVCBY-CYBMUJFWSA-N -1 1 356.422 2.731 20 10 FFCDMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@@H]1CCc2nc[nH]c2C1 ZINC000378074675 512576943 /nfs/dbraw/zinc/57/69/43/512576943.db2.gz UYYRPTLXMSQLNT-SNVBAGLBSA-N -1 1 355.225 2.779 20 10 FFCDMM O=C([O-])Nc1ccc(CNCc2ccc(N3CCC(O)CC3)c(F)c2)cn1 ZINC000832842374 603542521 /nfs/dbraw/zinc/54/25/21/603542521.db2.gz WMLQQKDGDIYKOO-UHFFFAOYSA-N -1 1 374.416 2.562 20 10 FFCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2nccnc2-c2nnn[n-]2)CC1 ZINC000826233868 607726888 /nfs/dbraw/zinc/72/68/88/607726888.db2.gz YKWSNKQDOKCCCL-UHFFFAOYSA-N -1 1 358.409 2.740 20 10 FFCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2nccnc2-c2nn[n-]n2)CC1 ZINC000826233868 607726889 /nfs/dbraw/zinc/72/68/89/607726889.db2.gz YKWSNKQDOKCCCL-UHFFFAOYSA-N -1 1 358.409 2.740 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000833896910 605912578 /nfs/dbraw/zinc/91/25/78/605912578.db2.gz ATSVUQQBRWXKHK-GWCFXTLKSA-N -1 1 357.248 2.941 20 10 FFCDMM O=C(C[C@H]1CCC[C@H](C(F)(F)F)O1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000924328848 738403172 /nfs/dbraw/zinc/40/31/72/738403172.db2.gz QQYPTLLCWMXIGK-QMTHXVAHSA-N -1 1 362.300 2.714 20 10 FFCDMM CC1(C)C(c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)C1(C)C ZINC000858845521 730434782 /nfs/dbraw/zinc/43/47/82/730434782.db2.gz JZPBGLHCEWFGMD-UHFFFAOYSA-N -1 1 351.428 2.963 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000858910536 730436432 /nfs/dbraw/zinc/43/64/32/730436432.db2.gz VQKBMJOVWJSOAD-WCQYABFASA-N -1 1 355.232 2.521 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2c2noc(C)n2)c1[O-] ZINC000779634386 738473591 /nfs/dbraw/zinc/47/35/91/738473591.db2.gz XXILPAJDSOCLLE-CQSZACIVSA-N -1 1 351.790 2.513 20 10 FFCDMM C[C@@H]1C[C@H]1c1noc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000865984427 731018707 /nfs/dbraw/zinc/01/87/07/731018707.db2.gz GZMYFNKETXYJNZ-VXNVDRBHSA-N -1 1 352.188 2.591 20 10 FFCDMM CC[C@@H](NCc1nnc2c(=O)[nH]ccn12)c1cc(Cl)cc(Cl)c1[O-] ZINC000886704709 733820481 /nfs/dbraw/zinc/82/04/81/733820481.db2.gz MYFICMVUBHKMHQ-LLVKDONJSA-N -1 1 368.224 2.671 20 10 FFCDMM CC(C)(C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890757481 734336389 /nfs/dbraw/zinc/33/63/89/734336389.db2.gz FGOYQYQDPXAJQT-CYBMUJFWSA-N -1 1 352.862 2.947 20 10 FFCDMM CCOC(Cn1cc(C(=O)NCc2cccc(Cl)c2[O-])cn1)OCC ZINC000890761393 734337324 /nfs/dbraw/zinc/33/73/24/734337324.db2.gz QFFZDJMGVGOHFM-UHFFFAOYSA-N -1 1 367.833 2.571 20 10 FFCDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2)c(F)c1 ZINC000726792502 734445338 /nfs/dbraw/zinc/44/53/38/734445338.db2.gz ABDISYIULGNELU-UHFFFAOYSA-N -1 1 356.394 2.518 20 10 FFCDMM O=C1CCCN1C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000894003002 734785326 /nfs/dbraw/zinc/78/53/26/734785326.db2.gz ZSLIPBKNGSRNCN-UHFFFAOYSA-N -1 1 371.250 2.881 20 10 FFCDMM O=C(COC(=O)c1cccc(Cl)c1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC000784020015 738855770 /nfs/dbraw/zinc/85/57/70/738855770.db2.gz XFVWMCNGYHNRDY-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM CC(C)N1C(=S)N=NC1CCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000895674974 735039364 /nfs/dbraw/zinc/03/93/64/735039364.db2.gz OITOHMOGLLWJSK-UHFFFAOYSA-N -1 1 369.878 2.549 20 10 FFCDMM C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)NCc1cccc(Cl)c1[O-])O2 ZINC000896522640 735172790 /nfs/dbraw/zinc/17/27/90/735172790.db2.gz KQAHOCFORNQFBC-AZGFTEDZSA-N -1 1 368.861 2.817 20 10 FFCDMM CCC(O)(CC)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000764808286 737052042 /nfs/dbraw/zinc/05/20/42/737052042.db2.gz WPEHWIWCVHEBOD-UHFFFAOYSA-N -1 1 359.264 2.895 20 10 FFCDMM NC(=O)c1ccc(NC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765234095 737099826 /nfs/dbraw/zinc/09/98/26/737099826.db2.gz KSKOZOLWSMCUNS-UHFFFAOYSA-N -1 1 364.199 2.575 20 10 FFCDMM C[C@@H](OC[C@H]1CCCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751592 737153597 /nfs/dbraw/zinc/15/35/97/737153597.db2.gz HFCKMIAJQJSPLZ-DGCLKSJQSA-N -1 1 372.259 2.745 20 10 FFCDMM O=C(COc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000765752960 737154196 /nfs/dbraw/zinc/15/41/96/737154196.db2.gz KLAROWFUCWNFKS-UHFFFAOYSA-N -1 1 354.175 2.989 20 10 FFCDMM O=C(Cc1[nH]nc2c1CCCC2)NCc1cccc(Br)c1[O-] ZINC000765766197 737156494 /nfs/dbraw/zinc/15/64/94/737156494.db2.gz VQSFJOVLBTUCAF-UHFFFAOYSA-N -1 1 364.243 2.616 20 10 FFCDMM O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC000916617553 737716125 /nfs/dbraw/zinc/71/61/25/737716125.db2.gz FKIHDAQEVUEQBY-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)/C=C/c1ccc(F)cc1 ZINC000775286747 738078744 /nfs/dbraw/zinc/07/87/44/738078744.db2.gz NDYSXTNMDZEKMF-CMDGGOBGSA-N -1 1 351.355 2.731 20 10 FFCDMM O=C(NCCNc1ncc(Cl)cc1Cl)c1c(F)ccc(O)c1[O-] ZINC000789956179 739399562 /nfs/dbraw/zinc/39/95/62/739399562.db2.gz CRNRBLDKCLXBNP-UHFFFAOYSA-N -1 1 360.172 2.781 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCC(=O)c2cccn21 ZINC000790065902 739415637 /nfs/dbraw/zinc/41/56/37/739415637.db2.gz YKMZYYRWWHUQEL-CYBMUJFWSA-N -1 1 363.211 2.790 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])ccc1C ZINC000790411732 739449962 /nfs/dbraw/zinc/44/99/62/739449962.db2.gz PLUPIHKQXUGRFT-UHFFFAOYSA-N -1 1 351.380 2.598 20 10 FFCDMM O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)ccc1[O-] ZINC000808115547 741188250 /nfs/dbraw/zinc/18/82/50/741188250.db2.gz IOAQHLXLCWUUFZ-UHFFFAOYSA-N -1 1 362.722 2.599 20 10 FFCDMM COC(=O)c1csc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c1 ZINC000808115692 741188467 /nfs/dbraw/zinc/18/84/67/741188467.db2.gz OKCAMTYPJQFNRE-UHFFFAOYSA-N -1 1 365.791 2.834 20 10 FFCDMM CNC(=O)OC[C@H]1CCCCN1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000809779410 741343026 /nfs/dbraw/zinc/34/30/26/741343026.db2.gz LZMOKFNORGWWGX-GFCCVEGCSA-N -1 1 357.794 2.664 20 10 FFCDMM CC(=O)N[C@@H](CCC(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000834476148 745846189 /nfs/dbraw/zinc/84/61/89/745846189.db2.gz OZPZJYBATAQSJJ-AWEZNQCLSA-N -1 1 371.275 2.712 20 10 FFCDMM C[C@@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])c2nccn21 ZINC000836630079 746272736 /nfs/dbraw/zinc/27/27/36/746272736.db2.gz YEZKZOLAQCGFIE-SKDRFNHKSA-N -1 1 365.231 2.856 20 10 FFCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])C(=O)OC(C)(C)C ZINC000840438479 747093029 /nfs/dbraw/zinc/09/30/29/747093029.db2.gz QBVRRLHIYIHIDF-SECBINFHSA-N -1 1 358.232 2.749 20 10 FFCDMM COc1c([O-])c([C@@H]2NC(C)(C)C(=O)N2CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000840828436 747195382 /nfs/dbraw/zinc/19/53/82/747195382.db2.gz MUPVAXDVJDMIGJ-CQSZACIVSA-N -1 1 351.403 2.564 20 10 FFCDMM C[C@@H](Cc1ccccn1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000848669899 748980567 /nfs/dbraw/zinc/98/05/67/748980567.db2.gz FNMKTJICSIIHBG-NSHDSACASA-N -1 1 364.243 2.980 20 10 FFCDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cccc(F)c3F)C2)cc1 ZINC000849416181 749142701 /nfs/dbraw/zinc/14/27/01/749142701.db2.gz LWHOKWFBKWVMHC-LBPRGKRZSA-N -1 1 368.405 2.531 20 10 FFCDMM O=C([O-])[C@H](CNC(=O)NCc1cc(Cl)cc(Cl)c1O)C1CCC1 ZINC000854235867 750266441 /nfs/dbraw/zinc/26/64/41/750266441.db2.gz TUUKMWMGSPILFF-LLVKDONJSA-N -1 1 361.225 2.999 20 10 FFCDMM O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3cccc(F)c3[O-])C[C@@]12F ZINC001276085442 1013430960 /nfs/dbraw/zinc/43/09/60/1013430960.db2.gz JFIHMEWGTLZRRS-ZWKOTPCHSA-N -1 1 354.372 2.548 20 10 FFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnc4nonc4c3)c([O-])cc21 ZINC001176696408 1013755036 /nfs/dbraw/zinc/75/50/36/1013755036.db2.gz YIZHKUWCBZUIMT-UHFFFAOYSA-N -1 1 358.313 2.842 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000892435383 968690854 /nfs/dbraw/zinc/69/08/54/968690854.db2.gz NVGMACQDBCSPDR-INIZCTEOSA-N -1 1 373.840 2.646 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1cnc(C2CC2)[n-]c1=O ZINC000910557455 981996515 /nfs/dbraw/zinc/99/65/15/981996515.db2.gz BBCGKINUMOXYGU-CYBMUJFWSA-N -1 1 354.454 2.795 20 10 FFCDMM Cc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@H]2CCCO2)c([O-])c1 ZINC000763249474 989304184 /nfs/dbraw/zinc/30/41/84/989304184.db2.gz SUHZGTPZSMRSGA-GOSISDBHSA-N -1 1 369.465 2.983 20 10 FFCDMM Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2)n1 ZINC000916590820 989831227 /nfs/dbraw/zinc/83/12/27/989831227.db2.gz SGELRWMNVZYIJI-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000812297576 995409469 /nfs/dbraw/zinc/40/94/69/995409469.db2.gz ZJQUEVVMOJCTEQ-MRXNPFEDSA-N -1 1 363.417 2.972 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](n3cccn3)C2)c1[O-] ZINC000812297576 995409477 /nfs/dbraw/zinc/40/94/77/995409477.db2.gz ZJQUEVVMOJCTEQ-MRXNPFEDSA-N -1 1 363.417 2.972 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]O[C@@H]2CCCCO2)C1 ZINC000767793804 1000145841 /nfs/dbraw/zinc/14/58/41/1000145841.db2.gz DBJPWJMPCOQJFQ-OAQYLSRUSA-N -1 1 371.481 2.982 20 10 FFCDMM COc1cccc(-c2noc([C@@H](C)NC(=O)c3c(F)ccc(O)c3[O-])n2)c1 ZINC000789985761 1002246673 /nfs/dbraw/zinc/24/66/73/1002246673.db2.gz IKPHCCNHWDFMQV-SECBINFHSA-N -1 1 373.340 2.787 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@H](C)CC34CC4)cc12 ZINC001184360390 1002568078 /nfs/dbraw/zinc/56/80/78/1002568078.db2.gz GJBLRDHGTKAIOZ-CYBMUJFWSA-N -1 1 370.449 2.640 20 10 FFCDMM CCC(CC)CNC(=O)CN(C)Cc1cc2c(C)cc(=O)oc2cc1[O-] ZINC001184355306 1002579943 /nfs/dbraw/zinc/57/99/43/1002579943.db2.gz WCLHXNDMBLWMOA-UHFFFAOYSA-N -1 1 360.454 2.791 20 10 FFCDMM COC(=O)c1ccc2cc(CCNC(=O)c3c(F)ccc(O)c3[O-])oc2c1 ZINC001184452505 1002620774 /nfs/dbraw/zinc/62/07/74/1002620774.db2.gz TXQMFVLERCXMFY-UHFFFAOYSA-N -1 1 373.336 2.742 20 10 FFCDMM O=C(CNc1ncnc2cc(C(F)(F)F)cnc21)c1ccc([O-])c(O)c1 ZINC001170316902 1003106081 /nfs/dbraw/zinc/10/60/81/1003106081.db2.gz UQZNDMDNJSVFJE-UHFFFAOYSA-N -1 1 364.283 2.750 20 10 FFCDMM COC(=O)c1c(C)cc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316511 1003106540 /nfs/dbraw/zinc/10/65/40/1003106540.db2.gz GSKPWKBWFFWZJG-UHFFFAOYSA-N -1 1 350.758 2.536 20 10 FFCDMM CCc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2ccccn2)n1 ZINC001170315842 1003106919 /nfs/dbraw/zinc/10/69/19/1003106919.db2.gz HRTVBLNLFVSPLU-UHFFFAOYSA-N -1 1 350.378 2.807 20 10 FFCDMM O=C(CNc1ccn(-c2ccc(F)cc2)c(=O)c1)c1ccc([O-])c(O)c1 ZINC001170320442 1003108105 /nfs/dbraw/zinc/10/81/05/1003108105.db2.gz AKWWMVWNDPQIOQ-UHFFFAOYSA-N -1 1 354.337 2.683 20 10 FFCDMM COc1c([O-])c(CNCc2nc(C)c3ccccc3n2)ccc1[N+](=O)[O-] ZINC000774988794 1003218265 /nfs/dbraw/zinc/21/82/65/1003218265.db2.gz IOCJHHNFJVCDRU-UHFFFAOYSA-N -1 1 354.366 2.850 20 10 FFCDMM O=C(CNC(=S)NCc1cccc(Cl)c1)c1ccc([O-])c(O)c1 ZINC001195998462 1003627829 /nfs/dbraw/zinc/62/78/29/1003627829.db2.gz JRIVIUWZTWUYFS-UHFFFAOYSA-N -1 1 350.827 2.598 20 10 FFCDMM CSc1nnc(NC(=O)c2ccc(O)c([O-])c2Cl)c(SC)n1 ZINC001193210101 1004403415 /nfs/dbraw/zinc/40/34/15/1004403415.db2.gz TXUFRTFOTVSIHB-UHFFFAOYSA-N -1 1 358.832 2.632 20 10 FFCDMM Cc1cnn(Cc2ccccn2)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193220809 1004407479 /nfs/dbraw/zinc/40/74/79/1004407479.db2.gz XRVCICXIKWBDCN-UHFFFAOYSA-N -1 1 358.785 2.952 20 10 FFCDMM O=C(N[C@H]1Cc2ccc(Cl)cc2NC1=O)c1ccc(O)c([O-])c1Cl ZINC001193247322 1004418176 /nfs/dbraw/zinc/41/81/76/1004418176.db2.gz UTGNVGPOBDGTRH-NSHDSACASA-N -1 1 367.188 2.698 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ncccc1C(F)(F)F ZINC001194569499 1004762889 /nfs/dbraw/zinc/76/28/89/1004762889.db2.gz NZFBZALJLQMTCS-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM O=C(c1ccncc1)c1ccccc1[N-]S(=O)(=O)c1ccc(O)cc1 ZINC001195810480 1005049516 /nfs/dbraw/zinc/04/95/16/1005049516.db2.gz GEHUJAUOPMBAJW-UHFFFAOYSA-N -1 1 354.387 2.819 20 10 FFCDMM CN(C)c1ccc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CC2)cc1 ZINC000815304902 1006573177 /nfs/dbraw/zinc/57/31/77/1006573177.db2.gz PUDLJQVAKAAUJY-UHFFFAOYSA-N -1 1 355.390 2.622 20 10 FFCDMM Cc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c(-n2cccc2)s1 ZINC001189313779 1007015736 /nfs/dbraw/zinc/01/57/36/1007015736.db2.gz MTZDDBZUDGYHLS-UHFFFAOYSA-N -1 1 356.403 2.871 20 10 FFCDMM COc1ccc2c(c1)CC[C@H](CC(=O)NCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001178919194 1009193546 /nfs/dbraw/zinc/19/35/46/1009193546.db2.gz NCLNLDAJECRBQX-ZDUSSCGKSA-N -1 1 369.417 2.601 20 10 FFCDMM Cc1sc2ncc(C(=O)NCc3cccc(Cl)c3[O-])c(=O)n2c1C ZINC001180410160 1009684557 /nfs/dbraw/zinc/68/45/57/1009684557.db2.gz KUPUKNFVEHQEIN-UHFFFAOYSA-N -1 1 363.826 2.662 20 10 FFCDMM COc1ccc(N2CCN(C(=O)c3cc(F)ccc3[O-])CC2)c(OC)c1 ZINC000870164841 1012229773 /nfs/dbraw/zinc/22/97/73/1012229773.db2.gz CXCVTFDMNBFFAL-UHFFFAOYSA-N -1 1 360.385 2.511 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000900703136 1020601346 /nfs/dbraw/zinc/60/13/46/1020601346.db2.gz GADBJPHQOKOWEL-NSHDSACASA-N -1 1 368.405 2.614 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnn1C[C@H]1CCOC1 ZINC001119884426 1023145165 /nfs/dbraw/zinc/14/51/65/1023145165.db2.gz AKCSYXJEQXDCEE-LLVKDONJSA-N -1 1 350.806 2.600 20 10 FFCDMM CCCCC(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034420 1027238131 /nfs/dbraw/zinc/23/81/31/1027238131.db2.gz VVNNURDGHAAWGV-CYBMUJFWSA-N -1 1 356.875 2.754 20 10 FFCDMM C[C@H](Sc1ccccc1C(=O)NCc1cccc(Cl)c1[O-])C(N)=O ZINC001159041070 1027242384 /nfs/dbraw/zinc/24/23/84/1027242384.db2.gz BLDYXCXFCNGVEU-JTQLQIEISA-N -1 1 364.854 2.942 20 10 FFCDMM COCc1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(-c2ccccc2)n1 ZINC001159271733 1027330961 /nfs/dbraw/zinc/33/09/61/1027330961.db2.gz FZTWEROIRXKSLD-UHFFFAOYSA-N -1 1 365.389 2.996 20 10 FFCDMM COc1ccccc1-c1cc(NCC(=O)c2ccc([O-])c(O)c2)ncn1 ZINC001159280605 1027334962 /nfs/dbraw/zinc/33/49/62/1027334962.db2.gz ZUNIZJGFXZIWPV-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM CC(C)c1noc2ncc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC000782232747 1029620051 /nfs/dbraw/zinc/62/00/51/1029620051.db2.gz PZIPQLAJCBOVIV-UHFFFAOYSA-N -1 1 356.334 2.797 20 10 FFCDMM Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)n[nH]2)cc1 ZINC000782251874 1029627379 /nfs/dbraw/zinc/62/73/79/1029627379.db2.gz FFBUMKDXWZRUBT-UHFFFAOYSA-N -1 1 352.346 2.836 20 10 FFCDMM Cn1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1-c1ccccc1 ZINC000784537293 1030669943 /nfs/dbraw/zinc/66/99/43/1030669943.db2.gz JWTKSHDVDLCWKP-UHFFFAOYSA-N -1 1 352.346 2.538 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(c2ncccc2F)CC1 ZINC001139130025 1034958739 /nfs/dbraw/zinc/95/87/39/1034958739.db2.gz NYJTVHVFOFOHCC-UHFFFAOYSA-N -1 1 369.396 2.663 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2oc(=O)[nH]c21 ZINC001139974661 1035294826 /nfs/dbraw/zinc/29/48/26/1035294826.db2.gz JTOBZXKLEVKPHG-UHFFFAOYSA-N -1 1 363.167 2.932 20 10 FFCDMM COC[C@H](C)OC[C@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578406 1035616109 /nfs/dbraw/zinc/61/61/09/1035616109.db2.gz SXVMAKOSLYRABE-STQMWFEESA-N -1 1 370.401 2.986 20 10 FFCDMM CN1C(=O)CC[C@@H]2C[N@H+](Cc3c([O-])cc(Br)cc3F)CC[C@@H]21 ZINC001233033945 1036274062 /nfs/dbraw/zinc/27/40/62/1036274062.db2.gz YWDAKUXNRVSMOU-YGRLFVJLSA-N -1 1 371.250 2.737 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001233334253 1036540579 /nfs/dbraw/zinc/54/05/79/1036540579.db2.gz ZDYXSZDENYJOQQ-CQSZACIVSA-N -1 1 363.408 2.926 20 10 FFCDMM CC(C)(C)N1CC(Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)C1 ZINC001229196536 1036546919 /nfs/dbraw/zinc/54/69/19/1036546919.db2.gz DWTBMPMPQPTOTG-UHFFFAOYSA-N -1 1 367.401 2.735 20 10 FFCDMM CC[C@@H](Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O)C(=O)OC ZINC001229829581 1036921861 /nfs/dbraw/zinc/92/18/61/1036921861.db2.gz VEXOHDNYOFZTLC-OAHLLOKOSA-N -1 1 354.358 2.806 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2O)CC12CC2 ZINC001231455699 1037597229 /nfs/dbraw/zinc/59/72/29/1037597229.db2.gz UEFNGDVRVUGPTN-UHFFFAOYSA-N -1 1 362.426 2.676 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2Cl)[C@@H](CO)C1 ZINC001237125066 1038450329 /nfs/dbraw/zinc/45/03/29/1038450329.db2.gz WPASPHPAAQMHLO-LLVKDONJSA-N -1 1 374.840 2.598 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCN(c2nccc(Cl)n2)CC1 ZINC001237125548 1038450845 /nfs/dbraw/zinc/45/08/45/1038450845.db2.gz DOUUJYCLFAJTOI-UHFFFAOYSA-N -1 1 357.216 2.950 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(Cl)c2C)ccc1O ZINC001257615167 1038900261 /nfs/dbraw/zinc/90/02/61/1038900261.db2.gz XQRFKDAEIXMTHK-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM COc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c([O-])c1I ZINC001248481733 1040295086 /nfs/dbraw/zinc/29/50/86/1040295086.db2.gz DEBJTGUOFWLKAY-SCZZXKLOSA-N -1 1 365.186 2.795 20 10 FFCDMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c1 ZINC001260442347 1040594701 /nfs/dbraw/zinc/59/47/01/1040594701.db2.gz YHWPJLSQPOOTBM-UHFFFAOYSA-N -1 1 351.771 2.880 20 10 FFCDMM COc1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1 ZINC001261073256 1040979716 /nfs/dbraw/zinc/97/97/16/1040979716.db2.gz UPFSHTBAHPWEFN-UHFFFAOYSA-N -1 1 357.750 2.825 20 10 FFCDMM Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])cccc1F ZINC001279421774 1043093577 /nfs/dbraw/zinc/09/35/77/1043093577.db2.gz OUGCCIBTLFVUHM-BETUJISGSA-N -1 1 360.389 2.627 20 10 FFCDMM CCN(C(=O)[C@]12C[C@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl)C(C)C ZINC001279509163 1043205752 /nfs/dbraw/zinc/20/57/52/1043205752.db2.gz WNFIYWFONVZZHE-ZMZPIMSZSA-N -1 1 366.845 2.613 20 10 FFCDMM COc1cc(C)nc(O[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC001237624519 1043280504 /nfs/dbraw/zinc/28/05/04/1043280504.db2.gz VRXWXVFRBLNVGU-ZDUSSCGKSA-N -1 1 367.808 2.945 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCOCC12CCC2 ZINC001237780120 1043352933 /nfs/dbraw/zinc/35/29/33/1043352933.db2.gz NBAVIMBWOZXUPE-UHFFFAOYSA-N -1 1 359.207 2.752 20 10 FFCDMM CCN(C)C(=O)CO[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800889 1043366499 /nfs/dbraw/zinc/36/64/99/1043366499.db2.gz DESGCRBCKQGYHK-CQSZACIVSA-N -1 1 358.841 2.644 20 10 FFCDMM O=C(N[C@@H]1CCCN(Cc2cc(F)c(Cl)cc2[O-])C1)c1ccccn1 ZINC001237940823 1043446619 /nfs/dbraw/zinc/44/66/19/1043446619.db2.gz NZGCIYVFJACYBY-CYBMUJFWSA-N -1 1 363.820 2.974 20 10 FFCDMM O=S(=O)(C[C@@H]1CC[C@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC001309940621 1043599939 /nfs/dbraw/zinc/59/99/39/1043599939.db2.gz LTFNXQGDKDJQHT-GXSJLCMTSA-N -1 1 373.780 2.575 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])C(=O)N1CCCC[C@H]1C ZINC001336734120 1054176676 /nfs/dbraw/zinc/17/66/76/1054176676.db2.gz HTNDTECLZJCJEO-NEPJUHHUSA-N -1 1 353.850 2.634 20 10 FFCDMM CCCn1cc(C(=O)NCc2cccc(Br)c2[O-])c(C)n1 ZINC001338964427 1055971887 /nfs/dbraw/zinc/97/18/87/1055971887.db2.gz NUNDKMALLCGSFV-UHFFFAOYSA-N -1 1 352.232 3.000 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cnc2ccnn2c1C(F)F ZINC001458031078 1060492371 /nfs/dbraw/zinc/49/23/71/1060492371.db2.gz DXKUMYNZUXOOHK-UHFFFAOYSA-N -1 1 352.728 2.956 20 10 FFCDMM CC1(c2nnc(C3CCOCC3)o2)CN(Cc2cc(F)c(F)cc2[O-])C1 ZINC001462451469 1061629487 /nfs/dbraw/zinc/62/94/87/1061629487.db2.gz LRQZPFQLEUQMJQ-UHFFFAOYSA-N -1 1 365.380 2.721 20 10 FFCDMM Cn1nnnc1-c1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001467174437 1063659767 /nfs/dbraw/zinc/65/97/67/1063659767.db2.gz BBLAOEXMXWOFAZ-UHFFFAOYSA-N -1 1 358.789 2.558 20 10 FFCDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1cc(Cl)ccc1O ZINC001561724958 1076413142 /nfs/dbraw/zinc/41/31/42/1076413142.db2.gz IREABZJMZGPOJD-UHFFFAOYSA-N -1 1 363.769 2.811 20 10 FFCDMM C[C@@H](Nc1ccc2c(c1)N(C)CCO2)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984212 1080922810 /nfs/dbraw/zinc/92/28/10/1080922810.db2.gz KSWQBTRMGPTDNO-LLVKDONJSA-N -1 1 352.398 2.574 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CC3(CCC3)c3ccccc32)c1 ZINC000368983537 512168408 /nfs/dbraw/zinc/16/84/08/512168408.db2.gz QMSMHSABHGEJCE-UHFFFAOYSA-N -1 1 372.446 2.846 20 10 FFCDMM O=C(CSc1nnc(NC[C@H]2CCCO2)s1)c1ccc([O-])c(O)c1 ZINC000071074844 507692453 /nfs/dbraw/zinc/69/24/53/507692453.db2.gz VPOBFXGASIZSOG-SNVBAGLBSA-N -1 1 367.452 2.515 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(n2ccc(C(F)(F)F)n2)CC1 ZINC000276580957 510942473 /nfs/dbraw/zinc/94/24/73/510942473.db2.gz LOTCRPUJPLWCST-UHFFFAOYSA-N -1 1 373.306 2.930 20 10 FFCDMM CCC(=O)N1CCCC[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277562885 510965972 /nfs/dbraw/zinc/96/59/72/510965972.db2.gz PPFBWBLQGNIDPJ-ZDUSSCGKSA-N -1 1 369.259 2.562 20 10 FFCDMM COCCO[C@@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750721 511006476 /nfs/dbraw/zinc/00/64/76/511006476.db2.gz SDXWIMXZGJCXSU-SMDDNHRTSA-N -1 1 364.269 2.545 20 10 FFCDMM Clc1ccc(NCc2ccc(N3CC=CC3)cc2)nc1-c1nnn[n-]1 ZINC000737573429 598973254 /nfs/dbraw/zinc/97/32/54/598973254.db2.gz HLRNRIANSJWNCE-UHFFFAOYSA-N -1 1 353.817 2.903 20 10 FFCDMM Clc1ccc(NCc2ccc(N3CC=CC3)cc2)nc1-c1nn[n-]n1 ZINC000737573429 598973255 /nfs/dbraw/zinc/97/32/55/598973255.db2.gz HLRNRIANSJWNCE-UHFFFAOYSA-N -1 1 353.817 2.903 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3c2cccc3Cl)c1 ZINC000155658952 728833924 /nfs/dbraw/zinc/83/39/24/728833924.db2.gz GDOGXSCIKKCURY-UHFFFAOYSA-N -1 1 366.826 2.620 20 10 FFCDMM Cn1ccc2ccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])cc21 ZINC000175634713 729099217 /nfs/dbraw/zinc/09/92/17/729099217.db2.gz AJRJHOFLYYIQQY-UHFFFAOYSA-N -1 1 359.407 2.508 20 10 FFCDMM COC(=O)CNC(=O)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000195072793 729528411 /nfs/dbraw/zinc/52/84/11/729528411.db2.gz QQNIQDIEFVFPFZ-UHFFFAOYSA-N -1 1 366.776 2.700 20 10 FFCDMM O=C(NC[C@@H](OC1CCCC1)C(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC000857306423 730390474 /nfs/dbraw/zinc/39/04/74/730390474.db2.gz FGVXTLWUQYFFJK-LLVKDONJSA-N -1 1 351.296 2.857 20 10 FFCDMM CC(F)(F)CCS(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000867194638 731153241 /nfs/dbraw/zinc/15/32/41/731153241.db2.gz AXULIOYXSKZZAC-UHFFFAOYSA-N -1 1 358.204 2.619 20 10 FFCDMM CC(C)O[C@@]1(CS(=O)(=O)Nc2cc(Cl)c([O-])cc2F)CCOC1 ZINC000872370653 731757734 /nfs/dbraw/zinc/75/77/34/731757734.db2.gz BSIATBMHFFMZSA-AWEZNQCLSA-N -1 1 367.826 2.511 20 10 FFCDMM CCN(Cc1cc(C(=O)[O-])nn1C)Cc1cc(Br)ccc1O ZINC000874039422 731999996 /nfs/dbraw/zinc/99/99/96/731999996.db2.gz KABMQKNKEOSSIO-UHFFFAOYSA-N -1 1 368.231 2.609 20 10 FFCDMM COC(=O)[C@H]1C[C@@H](OC)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781922343 738673478 /nfs/dbraw/zinc/67/34/78/738673478.db2.gz XRDVAIPUPMHKCD-GXTWGEPZSA-N -1 1 372.259 2.616 20 10 FFCDMM COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cc(F)cc(F)c1[O-] ZINC000883116095 733336732 /nfs/dbraw/zinc/33/67/32/733336732.db2.gz NWNFLJHJRZTIRU-UHFFFAOYSA-N -1 1 372.393 2.541 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN(CC(F)(F)F)C1 ZINC000890757749 734336329 /nfs/dbraw/zinc/33/63/29/734336329.db2.gz KJFXNFKWGJALPU-NSHDSACASA-N -1 1 350.768 2.936 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000890759419 734336870 /nfs/dbraw/zinc/33/68/70/734336870.db2.gz AZDLADXVAVCHQE-KRWDZBQOSA-N -1 1 360.841 2.563 20 10 FFCDMM O=C(COC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000783725946 738829585 /nfs/dbraw/zinc/82/95/85/738829585.db2.gz MTIGSUNHCXTNRK-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM CCOC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@H]1CCCOC1 ZINC000754259117 736140855 /nfs/dbraw/zinc/14/08/55/736140855.db2.gz GSKIYSBKKQNYKZ-BLLLJJGKSA-N -1 1 369.845 2.696 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(-n2cccn2)n1 ZINC000765730529 737150203 /nfs/dbraw/zinc/15/02/03/737150203.db2.gz WCWQPZHGZWPKET-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM CNc1snc(C)c1C(=O)NCc1cccc(Br)c1[O-] ZINC000765756919 737154663 /nfs/dbraw/zinc/15/46/63/737154663.db2.gz OTJYUDIKFAVAJO-UHFFFAOYSA-N -1 1 356.245 2.891 20 10 FFCDMM COc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1O ZINC000765763410 737155450 /nfs/dbraw/zinc/15/54/50/737155450.db2.gz BATCLHAACIQWHV-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765771287 737157007 /nfs/dbraw/zinc/15/70/07/737157007.db2.gz ZJNJKFCIAZTOTD-UHFFFAOYSA-N -1 1 370.224 2.933 20 10 FFCDMM COc1ccc(Cl)cc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920974181 737937430 /nfs/dbraw/zinc/93/74/30/737937430.db2.gz COCUDGZAKXCCKA-YRNVUSSQSA-N -1 1 367.858 2.544 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccc(Cl)cc2)C(=O)[N-]C1=S ZINC000920980742 737937785 /nfs/dbraw/zinc/93/77/85/737937785.db2.gz ZJPPWHGLESUUEV-KYJZABPNSA-N -1 1 365.886 2.774 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccccc2Cl)C(=O)[N-]C1=S ZINC000920980414 737937821 /nfs/dbraw/zinc/93/78/21/737937821.db2.gz MTMNIHJGJIUOAQ-LFTLCWSBSA-N -1 1 365.886 2.774 20 10 FFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000776434624 738193987 /nfs/dbraw/zinc/19/39/87/738193987.db2.gz HGQNZKQXMMYGGX-UHFFFAOYSA-N -1 1 363.178 2.593 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(N2CCOCC2)cn1 ZINC000931027570 739201091 /nfs/dbraw/zinc/20/10/91/739201091.db2.gz UEVIZYKAZKBXFA-UHFFFAOYSA-N -1 1 362.817 2.599 20 10 FFCDMM CCCNc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000790871538 739507445 /nfs/dbraw/zinc/50/74/45/739507445.db2.gz YJMQQDZMGYLOHT-UHFFFAOYSA-N -1 1 363.439 2.838 20 10 FFCDMM COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(C)cc1C ZINC000794360717 739882596 /nfs/dbraw/zinc/88/25/96/739882596.db2.gz FFXNHNZRAOVNMW-UHFFFAOYSA-N -1 1 364.423 2.641 20 10 FFCDMM Cc1cc(C(=O)N2CCN(Cc3cc(Cl)cc(F)c3[O-])[C@H](C)C2)n[nH]1 ZINC000835073630 745945192 /nfs/dbraw/zinc/94/51/92/745945192.db2.gz NCNRSBALXNKOJP-LLVKDONJSA-N -1 1 366.824 2.563 20 10 FFCDMM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(Br)cc1[O-] ZINC001595158987 952186597 /nfs/dbraw/zinc/18/65/97/952186597.db2.gz GJCGOTSUDRVKGJ-CQSZACIVSA-N -1 1 350.212 2.940 20 10 FFCDMM Cc1cc(O)c(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325279 958162199 /nfs/dbraw/zinc/16/21/99/958162199.db2.gz MLDAAYWLXNCVCL-OLZOCXBDSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325279 958162205 /nfs/dbraw/zinc/16/22/05/958162205.db2.gz MLDAAYWLXNCVCL-OLZOCXBDSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325279 958162215 /nfs/dbraw/zinc/16/22/15/958162215.db2.gz MLDAAYWLXNCVCL-OLZOCXBDSA-N -1 1 363.845 2.778 20 10 FFCDMM COc1ccc2ccc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)cc2c1 ZINC001174866026 1013327301 /nfs/dbraw/zinc/32/73/01/1013327301.db2.gz GDOUJJZKVJHWAJ-UHFFFAOYSA-N -1 1 351.358 2.872 20 10 FFCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)c1 ZINC000729536272 968248878 /nfs/dbraw/zinc/24/88/78/968248878.db2.gz YEKSRTUVYSYYSB-LLVKDONJSA-N -1 1 353.378 2.849 20 10 FFCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000729536272 968248882 /nfs/dbraw/zinc/24/88/82/968248882.db2.gz YEKSRTUVYSYYSB-LLVKDONJSA-N -1 1 353.378 2.849 20 10 FFCDMM CCN1CCN(c2ccc(CNC(=O)c3ccc(C)cc3O)cc2F)CC1 ZINC000303332049 974095497 /nfs/dbraw/zinc/09/54/97/974095497.db2.gz UNJBCDHVVQGBGH-UHFFFAOYSA-N -1 1 371.456 2.912 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@H](C)C(=O)[O-])C1 ZINC001592574260 978470699 /nfs/dbraw/zinc/47/06/99/978470699.db2.gz IYDHTBZTMNDSLV-HNNXBMFYSA-N -1 1 371.481 2.587 20 10 FFCDMM CO[C@@H]1C[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])Cc3cccnc3N2C1 ZINC000877690778 1014684286 /nfs/dbraw/zinc/68/42/86/1014684286.db2.gz HJULJWJMMHBNFN-HUUCEWRRSA-N -1 1 361.392 2.675 20 10 FFCDMM O=C(COC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC000916614344 989840981 /nfs/dbraw/zinc/84/09/81/989840981.db2.gz GIIBKBIGUZFQOU-UHFFFAOYSA-N -1 1 372.333 2.620 20 10 FFCDMM CN1CCN(c2ccc(C=C(C(=O)[O-])c3ccc4cc[nH]c4n3)cc2)CC1 ZINC001598622612 994029153 /nfs/dbraw/zinc/02/91/53/994029153.db2.gz SZUGGTIPUREKER-NBVRZTHBSA-N -1 1 362.433 2.940 20 10 FFCDMM COc1cc(C[N@H+]2CC[C@]3(CC(C(=O)[O-])=NO3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407498 997351142 /nfs/dbraw/zinc/35/11/42/997351142.db2.gz MIFCBZLGYMAUQO-IBGZPJMESA-N -1 1 362.426 2.504 20 10 FFCDMM CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3O)CC[C@@H]21 ZINC001144308014 998305370 /nfs/dbraw/zinc/30/53/70/998305370.db2.gz GXPLWRJNWRGWBL-HZMBPMFUSA-N -1 1 371.250 2.737 20 10 FFCDMM C[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H]1c1cccc(F)c1 ZINC000846251875 1000245638 /nfs/dbraw/zinc/24/56/38/1000245638.db2.gz LSVSOJMRVWBRTK-GTNSWQLSSA-N -1 1 370.384 2.855 20 10 FFCDMM Cc1cccc(C2=CCN(Cc3cc(=O)n4ncc(C(=O)[O-])c4[nH]3)CC2)c1 ZINC000846255666 1000246527 /nfs/dbraw/zinc/24/65/27/1000246527.db2.gz KXZUPCLXNWETBH-UHFFFAOYSA-N -1 1 364.405 2.731 20 10 FFCDMM Nc1ccc2c(c1NC(=O)c1cccc(O)c1[O-])C(=O)c1ccccc1C2=O ZINC001148218914 1001071607 /nfs/dbraw/zinc/07/16/07/1001071607.db2.gz NYQDBMMIEHWVEY-UHFFFAOYSA-N -1 1 374.352 2.708 20 10 FFCDMM COC(=O)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CCCCCC1 ZINC001184357449 1002568044 /nfs/dbraw/zinc/56/80/44/1002568044.db2.gz QUGBFJMMJYJSOX-LBPRGKRZSA-N -1 1 353.390 2.726 20 10 FFCDMM COc1cc(OC)c2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001170317116 1003105908 /nfs/dbraw/zinc/10/59/08/1003105908.db2.gz ZOFYYJYFNLHDTG-UHFFFAOYSA-N -1 1 354.362 2.958 20 10 FFCDMM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)cc1Cl ZINC001186093760 1003182550 /nfs/dbraw/zinc/18/25/50/1003182550.db2.gz FKSABCYDMCIOBE-UHFFFAOYSA-N -1 1 358.778 2.944 20 10 FFCDMM O=C(C[C@@H]1CCc2cc(F)ccc2C1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001186165665 1003194643 /nfs/dbraw/zinc/19/46/43/1003194643.db2.gz NSISTHXXHCTFDC-GFCCVEGCSA-N -1 1 357.381 2.731 20 10 FFCDMM C[C@@H](Cn1ncc2ccccc21)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000792847047 1003212065 /nfs/dbraw/zinc/21/20/65/1003212065.db2.gz RDEHQJWDWGEVMB-LBPRGKRZSA-N -1 1 354.362 2.510 20 10 FFCDMM COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001197107348 1004086769 /nfs/dbraw/zinc/08/67/69/1004086769.db2.gz ULOJCBYMMJZYLI-VMPITWQZSA-N -1 1 369.345 2.657 20 10 FFCDMM O=C(CNC(=O)c1cccnc1Oc1ccccc1)c1ccc([O-])c(O)c1 ZINC001192708128 1004253873 /nfs/dbraw/zinc/25/38/73/1004253873.db2.gz DWEUYRIHAXATNF-UHFFFAOYSA-N -1 1 364.357 2.898 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@@H](C(F)(F)F)[C@H]1CO ZINC001193218970 1004406799 /nfs/dbraw/zinc/40/67/99/1004406799.db2.gz FFDGNGXXKWNXTO-RKDXNWHRSA-N -1 1 353.724 2.527 20 10 FFCDMM COc1ccc2c(c1)OC[C@@H](CNC(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193247071 1004418401 /nfs/dbraw/zinc/41/84/01/1004418401.db2.gz JSTGRWLLSLOGKT-SNVBAGLBSA-N -1 1 363.797 2.741 20 10 FFCDMM COC(=O)[C@@H](CC1CCCCC1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775119487 1006088413 /nfs/dbraw/zinc/08/84/13/1006088413.db2.gz SFSSDGVKQPMWPM-CQSZACIVSA-N -1 1 366.414 2.911 20 10 FFCDMM O=C(N[C@@H]1CC=CCC1)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152611004 1032203199 /nfs/dbraw/zinc/20/31/99/1032203199.db2.gz HQZNJZBKJQDPBA-GFCCVEGCSA-N -1 1 363.369 2.712 20 10 FFCDMM O=C(Cc1ccc([O-])c(Cl)c1)NCc1ccc(N2CCC(O)CC2)cc1 ZINC000869295454 1011713416 /nfs/dbraw/zinc/71/34/16/1011713416.db2.gz VYLOVSYQWXCOHH-UHFFFAOYSA-N -1 1 374.868 2.866 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@@H]1CCNCC1(F)F ZINC001218006567 1032946513 /nfs/dbraw/zinc/94/65/13/1032946513.db2.gz LSQAAXNPZYYKAM-CQSZACIVSA-N -1 1 359.328 2.544 20 10 FFCDMM COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])cccc1F ZINC001137832746 1033166998 /nfs/dbraw/zinc/16/69/98/1033166998.db2.gz GMXPKVREQPQSPD-ZDUSSCGKSA-N -1 1 354.422 2.599 20 10 FFCDMM CC1CCN(C(=O)c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc2)CC1 ZINC001159279000 1027332047 /nfs/dbraw/zinc/33/20/47/1027332047.db2.gz IHJFBMZZGFPFIE-UHFFFAOYSA-N -1 1 369.421 2.660 20 10 FFCDMM O=C(CNC(=O)c1cccc2nc3ccccc3nc21)c1ccc([O-])c(O)c1 ZINC001153870453 1028035208 /nfs/dbraw/zinc/03/52/08/1028035208.db2.gz CVIUHWONKQHOBL-UHFFFAOYSA-N -1 1 373.368 2.807 20 10 FFCDMM O=C(Nc1cccc2nc(O)ccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227604 1028635151 /nfs/dbraw/zinc/63/51/51/1028635151.db2.gz BQIQADJLYBTLAQ-UHFFFAOYSA-N -1 1 364.313 2.710 20 10 FFCDMM O=C(NCc1cc(F)c(F)c(F)c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231308 1028637175 /nfs/dbraw/zinc/63/71/75/1028637175.db2.gz IXOOMNSSNQDKTP-UHFFFAOYSA-N -1 1 365.263 2.552 20 10 FFCDMM O=C(N[C@@H]1COc2ccc(Cl)cc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235178 1028642393 /nfs/dbraw/zinc/64/23/93/1028642393.db2.gz YWGCKZITAXJZJA-GFCCVEGCSA-N -1 1 373.748 2.721 20 10 FFCDMM CCN(CC)C(=O)c1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000783486464 1030118391 /nfs/dbraw/zinc/11/83/91/1030118391.db2.gz HKUBSTOXAXQTBT-UHFFFAOYSA-N -1 1 371.389 2.620 20 10 FFCDMM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967609 1033864639 /nfs/dbraw/zinc/86/46/39/1033864639.db2.gz RJDIMKVGNAKTJI-VOJFVSQTSA-N -1 1 368.836 2.729 20 10 FFCDMM CCCOc1cc(N2CCC(O)CC2)ccc1NC(=O)c1cncc([O-])c1 ZINC000834518280 1035402973 /nfs/dbraw/zinc/40/29/73/1035402973.db2.gz IUMHKNPQZWJWJE-UHFFFAOYSA-N -1 1 371.437 2.789 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CC(N2CCC(F)CC2)C1 ZINC001233031615 1036271731 /nfs/dbraw/zinc/27/17/31/1036271731.db2.gz IOSYFPVAYCQMOT-UHFFFAOYSA-N -1 1 361.230 2.912 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCCO[C@H](C)C2)c1 ZINC001233306397 1036511909 /nfs/dbraw/zinc/51/19/09/1036511909.db2.gz PKSXRFDQMRCFRP-SNVBAGLBSA-N -1 1 358.232 2.552 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@]3(CCCO3)C2)c1 ZINC001233306277 1036512309 /nfs/dbraw/zinc/51/23/09/1036512309.db2.gz LFQLVTCXJCKINC-MRXNPFEDSA-N -1 1 370.243 2.696 20 10 FFCDMM C[C@H]1COCC[C@H]1Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229199031 1036548175 /nfs/dbraw/zinc/54/81/75/1036548175.db2.gz RANOQJJYTVDQCE-IINYFYTJSA-N -1 1 354.358 2.677 20 10 FFCDMM CCOC(=O)c1cn2c(n1)CN(Cc1cccc(C(F)(F)F)c1[O-])CC2 ZINC001233418620 1036611565 /nfs/dbraw/zinc/61/15/65/1036611565.db2.gz OSAYZFSQOJLSNR-UHFFFAOYSA-N -1 1 369.343 2.800 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233419122 1036613671 /nfs/dbraw/zinc/61/36/71/1036613671.db2.gz KHAIZLQBLPYZJB-UHFFFAOYSA-N -1 1 369.343 2.800 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCN(C(=O)OC(C)(C)C)C(=O)C1 ZINC001234474657 1037053553 /nfs/dbraw/zinc/05/35/53/1037053553.db2.gz VJCUOBOQJHXQSW-NSHDSACASA-N -1 1 365.382 2.605 20 10 FFCDMM CC1=C(Oc2cc([O-])ccc2C(=O)c2ccc(O)c(O)c2)C(=O)O[C@H]1C ZINC001231339718 1037539010 /nfs/dbraw/zinc/53/90/10/1037539010.db2.gz CNKCWXXPJIQBEV-JTQLQIEISA-N -1 1 356.330 2.633 20 10 FFCDMM CC(C)OCc1ncn2c1CN(Cc1ccc(C(=O)[O-])cc1O)CCC2 ZINC001231451805 1037591735 /nfs/dbraw/zinc/59/17/35/1037591735.db2.gz VRHDMIPSAFUOCR-UHFFFAOYSA-N -1 1 359.426 2.618 20 10 FFCDMM CC(C)(C)OC(=O)N1CC(N(Cc2ccc(C(=O)[O-])cc2O)C2CC2)C1 ZINC001231455272 1037596715 /nfs/dbraw/zinc/59/67/15/1037596715.db2.gz MBWJDVIHNNBUMW-UHFFFAOYSA-N -1 1 362.426 2.674 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231909813 1038000792 /nfs/dbraw/zinc/00/07/92/1038000792.db2.gz QCCGGTCUHNXZJD-OLZOCXBDSA-N -1 1 356.850 2.506 20 10 FFCDMM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])ccc(Cl)c1Cl ZINC001237083381 1038440113 /nfs/dbraw/zinc/44/01/13/1038440113.db2.gz CLTMQWWGFYOXSM-RTCCRHLQSA-N -1 1 360.237 2.851 20 10 FFCDMM COC(=O)CCc1ccc(S(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC001259323619 1039912883 /nfs/dbraw/zinc/91/28/83/1039912883.db2.gz SLMNWUYFIDAPCX-UHFFFAOYSA-N -1 1 371.361 2.577 20 10 FFCDMM CS(=O)(=O)Cc1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001214955617 1041630357 /nfs/dbraw/zinc/63/03/57/1041630357.db2.gz GGZAAUFLMZPKLD-UHFFFAOYSA-N -1 1 368.842 2.912 20 10 FFCDMM CCCCN1C(=O)COCC12CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001276744196 1042072537 /nfs/dbraw/zinc/07/25/37/1042072537.db2.gz OUCPFLQOVLYZDG-UHFFFAOYSA-N -1 1 372.387 2.624 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CC3(CCN3CCCC(F)(F)F)C2)c1 ZINC001279281093 1042981595 /nfs/dbraw/zinc/98/15/95/1042981595.db2.gz CIOOQAGRAJOWTP-UHFFFAOYSA-N -1 1 358.360 2.693 20 10 FFCDMM COc1ccnc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C2)n1 ZINC001237801291 1043365966 /nfs/dbraw/zinc/36/59/66/1043365966.db2.gz HBXGUGQNQVBFNA-GFCCVEGCSA-N -1 1 353.781 2.637 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)OCc2nc(=O)n(C)[n-]2)c1 ZINC001325553420 1046550945 /nfs/dbraw/zinc/55/09/45/1046550945.db2.gz HSXCYFYMZBIAMS-UHFFFAOYSA-N -1 1 360.801 2.526 20 10 FFCDMM CCC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1 ZINC001306876528 1052208188 /nfs/dbraw/zinc/20/81/88/1052208188.db2.gz ZQBHZPHLTWHFEL-UHFFFAOYSA-N -1 1 362.407 2.609 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2c(C)[nH]c(=O)[n-]c2=S)cc1F ZINC001345921543 1052670638 /nfs/dbraw/zinc/67/06/38/1052670638.db2.gz PLDZXPSAKAPXIX-UHFFFAOYSA-N -1 1 364.446 2.695 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cccc([O-])c1F ZINC001444839771 1058338852 /nfs/dbraw/zinc/33/88/52/1058338852.db2.gz JTVLUWCTZLEGSI-UHFFFAOYSA-N -1 1 362.376 2.562 20 10 FFCDMM Cc1nnnn1-c1cccc(NC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001465212767 1063012110 /nfs/dbraw/zinc/01/21/10/1063012110.db2.gz ZFWKCMOZDIQZQK-UHFFFAOYSA-N -1 1 358.789 2.651 20 10 FFCDMM Cc1noc(C)c1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277629111 510967526 /nfs/dbraw/zinc/96/75/26/510967526.db2.gz WWSVMEOEWQZDNS-UHFFFAOYSA-N -1 1 368.231 2.801 20 10 FFCDMM OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)Cc1cc(F)ccc1O ZINC000180142221 509774900 /nfs/dbraw/zinc/77/49/00/509774900.db2.gz UXCNGJCNNSQFMT-UHFFFAOYSA-N -1 1 355.413 2.771 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC(C)(C)S(=O)(=O)CC2)c1[O-] ZINC000194975573 510614913 /nfs/dbraw/zinc/61/49/13/510614913.db2.gz QOKUBLBCTOTYTI-UHFFFAOYSA-N -1 1 359.875 2.647 20 10 FFCDMM C[C@@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277390096 510961504 /nfs/dbraw/zinc/96/15/04/510961504.db2.gz IZHOCZKMIYQNFY-MNOVXSKESA-N -1 1 357.248 2.769 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCCc2n[nH]cc21 ZINC000277656432 510969673 /nfs/dbraw/zinc/96/96/73/510969673.db2.gz ZLFYVOHAIFZRAS-SNVBAGLBSA-N -1 1 350.216 2.614 20 10 FFCDMM COCCn1cc(C[NH2+][C@H](C)c2cc(Br)ccc2[O-])cn1 ZINC000282435404 510976792 /nfs/dbraw/zinc/97/67/92/510976792.db2.gz DLXKNDCUMMKVHA-LLVKDONJSA-N -1 1 354.248 2.848 20 10 FFCDMM COc1ccc(S(=O)(=O)N(C)C)cc1NCc1cccc(Cl)c1[O-] ZINC000289110282 511093497 /nfs/dbraw/zinc/09/34/97/511093497.db2.gz CUPBNUGUDHWBLB-UHFFFAOYSA-N -1 1 370.858 2.917 20 10 FFCDMM O=C([O-])N1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000738718337 602267797 /nfs/dbraw/zinc/26/77/97/602267797.db2.gz DCQXUUOPBKQQIT-UHFFFAOYSA-N -1 1 370.405 2.515 20 10 FFCDMM O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1Cc1cc(Cl)cc([N+](=O)[O-])c1[O-] ZINC000833193565 604467504 /nfs/dbraw/zinc/46/75/04/604467504.db2.gz BKWYKQPEKFVKBC-OAHLLOKOSA-N -1 1 362.769 2.965 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncc(-c3nnn[n-]3)s2)cc1 ZINC000822231772 607024167 /nfs/dbraw/zinc/02/41/67/607024167.db2.gz HAPYVEDZZIMBTF-UHFFFAOYSA-N -1 1 365.422 2.983 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)Nc2ncc(-c3nn[n-]n3)s2)cc1 ZINC000822231772 607024168 /nfs/dbraw/zinc/02/41/68/607024168.db2.gz HAPYVEDZZIMBTF-UHFFFAOYSA-N -1 1 365.422 2.983 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3ccccn3)CC2)c1[O-] ZINC000177238949 729132549 /nfs/dbraw/zinc/13/25/49/729132549.db2.gz BLFJOPSZFJCDHO-UHFFFAOYSA-N -1 1 359.857 2.961 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CCc3ccccc3)no2)c1 ZINC000184864831 729335350 /nfs/dbraw/zinc/33/53/50/729335350.db2.gz SIWUMHYSJLLUGX-UHFFFAOYSA-N -1 1 359.407 2.599 20 10 FFCDMM CSc1ccccc1S(=O)(=O)[N-]c1ccc(NS(C)(=O)=O)cc1 ZINC000780367676 738536902 /nfs/dbraw/zinc/53/69/02/738536902.db2.gz WIJZZHFVFSNRCO-UHFFFAOYSA-N -1 1 372.493 2.581 20 10 FFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)cn1 ZINC000874048860 732001782 /nfs/dbraw/zinc/00/17/82/732001782.db2.gz DVWPXLIORFOLRB-ZYHUDNBSSA-N -1 1 367.808 2.609 20 10 FFCDMM CCOC(=O)N1CCN(Cc2cc(C)cc(Br)c2[O-])CC1 ZINC000781901413 738669552 /nfs/dbraw/zinc/66/95/52/738669552.db2.gz SJFAFDCKWCUONX-UHFFFAOYSA-N -1 1 357.248 2.737 20 10 FFCDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)c(F)c2)c(F)c1 ZINC000726793705 734445661 /nfs/dbraw/zinc/44/56/61/734445661.db2.gz NSKFVSBUBQLQEZ-UHFFFAOYSA-N -1 1 374.384 2.657 20 10 FFCDMM CO[C@@H](C)c1nc(C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000784001722 738854321 /nfs/dbraw/zinc/85/43/21/738854321.db2.gz PRKQPYPWFAQCDU-VIFPVBQESA-N -1 1 351.380 2.610 20 10 FFCDMM Cc1cccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1F ZINC000784196680 738868255 /nfs/dbraw/zinc/86/82/55/738868255.db2.gz XHPCOJJOYXDPNU-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM COC(=O)NC1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000895358875 734995258 /nfs/dbraw/zinc/99/52/58/734995258.db2.gz FLTPYYNGEQZOFO-UHFFFAOYSA-N -1 1 361.211 2.614 20 10 FFCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1cc(F)c(F)c(F)c1 ZINC000741648483 735153996 /nfs/dbraw/zinc/15/39/96/735153996.db2.gz JTMXKFXSBSNUJW-UHFFFAOYSA-N -1 1 372.368 2.741 20 10 FFCDMM COc1ccc(CCC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000897577493 735251195 /nfs/dbraw/zinc/25/11/95/735251195.db2.gz XOHWKIZNOVDPHZ-UHFFFAOYSA-N -1 1 365.227 2.807 20 10 FFCDMM C[C@@H]1CC2(CC(NC(=O)NCc3cccc(Br)c3[O-])C2)CO1 ZINC000897810844 735279867 /nfs/dbraw/zinc/27/98/67/735279867.db2.gz ONSPGHHHXKTBGM-WCVRRQIGSA-N -1 1 369.259 2.912 20 10 FFCDMM C[C@@H]1C[C@@H](O)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270260 739226122 /nfs/dbraw/zinc/22/61/22/739226122.db2.gz QTAHOWZKDSDAGT-GMSGAONNSA-N -1 1 365.065 2.872 20 10 FFCDMM C[C@@H](C[C@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764797703 737050444 /nfs/dbraw/zinc/05/04/44/737050444.db2.gz MDKHFJAMXHLGQT-WDEREUQCSA-N -1 1 357.248 2.769 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)Nc1ccccc1F ZINC000765925494 737172549 /nfs/dbraw/zinc/17/25/49/737172549.db2.gz GTQKXGCDCXCEOE-UHFFFAOYSA-N -1 1 367.174 2.549 20 10 FFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1cccc(F)c1 ZINC000766202305 737207090 /nfs/dbraw/zinc/20/70/90/737207090.db2.gz ZPAIXUWRNUQCBE-UHFFFAOYSA-N -1 1 360.204 2.772 20 10 FFCDMM COc1c(Cl)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769720816 737557612 /nfs/dbraw/zinc/55/76/12/737557612.db2.gz WKCVHFMTFOODIM-UHFFFAOYSA-N -1 1 370.814 2.678 20 10 FFCDMM COc1cc(Cl)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000775358349 738086943 /nfs/dbraw/zinc/08/69/43/738086943.db2.gz NPTXGONQWJRXPA-UHFFFAOYSA-N -1 1 370.814 2.678 20 10 FFCDMM Cc1ccc2cccnc2c1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000776434433 738193618 /nfs/dbraw/zinc/19/36/18/738193618.db2.gz FHYSVONESRULNS-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM O=C(CCC(=O)c1ccc(Cl)cn1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784762213 738917554 /nfs/dbraw/zinc/91/75/54/738917554.db2.gz KUNIBEONGDMGBC-UHFFFAOYSA-N -1 1 363.753 2.535 20 10 FFCDMM Cc1c([N+](=O)[O-])cc(S(=O)(=O)[N-]c2ccc(O)cc2)c(C)c1[N+](=O)[O-] ZINC000790382156 739445667 /nfs/dbraw/zinc/44/56/67/739445667.db2.gz MEDSALHFEWQPTO-UHFFFAOYSA-N -1 1 367.339 2.626 20 10 FFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000792702878 739695889 /nfs/dbraw/zinc/69/58/89/739695889.db2.gz GZBJBPXFKRGGAA-UHFFFAOYSA-N -1 1 359.450 2.983 20 10 FFCDMM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cs1 ZINC000808113923 741188157 /nfs/dbraw/zinc/18/81/57/741188157.db2.gz MHXYVXLBZQFFOM-UHFFFAOYSA-N -1 1 351.764 2.745 20 10 FFCDMM O=C(Cc1cscc1Br)OCC(=O)c1ccc([O-])c(O)c1 ZINC000814566497 741842934 /nfs/dbraw/zinc/84/29/34/741842934.db2.gz SOVXAXOCTZDBNT-UHFFFAOYSA-N -1 1 371.208 2.890 20 10 FFCDMM Cc1c(NCc2cc(Cl)c(F)cc2[O-])cccc1C(=O)NCCO ZINC000816523169 742038487 /nfs/dbraw/zinc/03/84/87/742038487.db2.gz FVNVVKZNDLRACT-UHFFFAOYSA-N -1 1 352.793 2.827 20 10 FFCDMM O=C(NCCCc1nc2c(s1)CCCC2)c1c(F)ccc(O)c1[O-] ZINC000825699609 743313712 /nfs/dbraw/zinc/31/37/12/743313712.db2.gz FNWCGGATUVNAHZ-UHFFFAOYSA-N -1 1 350.415 2.935 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](OC(=O)N(C)C)C2)c1[O-] ZINC000830579095 745387234 /nfs/dbraw/zinc/38/72/34/745387234.db2.gz TZMQESQVBLHOFQ-AWEZNQCLSA-N -1 1 354.834 2.911 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CC12CCOCC2 ZINC000836613411 746267789 /nfs/dbraw/zinc/26/77/89/746267789.db2.gz SRAGBMVVFYKOJW-GFCCVEGCSA-N -1 1 355.232 2.523 20 10 FFCDMM CN1CC[C@@](Cc2ccccc2)(C(=O)NCc2cccc(Cl)c2[O-])C1=O ZINC000890761381 960328564 /nfs/dbraw/zinc/32/85/64/960328564.db2.gz QBKOLPKPQYVVKR-HXUWFJFHSA-N -1 1 372.852 2.753 20 10 FFCDMM C[C@H](CCC(=O)OCC(=O)c1ccc([O-])c(O)c1)NC(=O)OC(C)(C)C ZINC000784990792 961998959 /nfs/dbraw/zinc/99/89/59/961998959.db2.gz SHFPTVXTTBLMBY-LLVKDONJSA-N -1 1 367.398 2.517 20 10 FFCDMM COc1c([O-])c(CN2CCn3nc(C(F)(F)F)cc3C2)ccc1[N+](=O)[O-] ZINC000896941053 973063743 /nfs/dbraw/zinc/06/37/43/973063743.db2.gz BEWGCVQWHWYVGO-UHFFFAOYSA-N -1 1 372.303 2.540 20 10 FFCDMM Cc1ccc(NC(=O)N(C)C)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783672604 979648450 /nfs/dbraw/zinc/64/84/50/979648450.db2.gz MHQUMRQAGBXOPO-UHFFFAOYSA-N -1 1 372.377 2.539 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@H]3CCc4ccccc43)no2)c1 ZINC000762069102 988099335 /nfs/dbraw/zinc/09/93/35/988099335.db2.gz IRTILRVPCXUAKU-AWEZNQCLSA-N -1 1 371.418 2.892 20 10 FFCDMM Cc1cnc(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)c([O-])c1 ZINC000763249476 989304120 /nfs/dbraw/zinc/30/41/20/989304120.db2.gz SUHZGTPZSMRSGA-SFHVURJKSA-N -1 1 369.465 2.983 20 10 FFCDMM C[C@H]1C[C@H](CNC(=O)OC(C)(C)C)CN1C(=O)c1c(F)ccc(O)c1[O-] ZINC000827238075 1015992443 /nfs/dbraw/zinc/99/24/43/1015992443.db2.gz FYHAWKPQSNLIGG-WDEREUQCSA-N -1 1 368.405 2.612 20 10 FFCDMM COc1c([O-])c(C[NH2+]Cc2ccc(C(=O)[O-])c(C3CC3)n2)ccc1[N+](=O)[O-] ZINC001599344938 997987578 /nfs/dbraw/zinc/98/75/78/997987578.db2.gz CRSILNKQTYUHLC-UHFFFAOYSA-N -1 1 373.365 2.569 20 10 FFCDMM Cc1cc2n(n1)c(=O)cc(C)n2Cc1cc(Br)c(F)cc1[O-] ZINC001144306416 998300617 /nfs/dbraw/zinc/30/06/17/998300617.db2.gz AWZXDAULEJYISP-UHFFFAOYSA-N -1 1 366.190 2.768 20 10 FFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)N1CCC(c2nn[n-]n2)CC1 ZINC000828234784 999563346 /nfs/dbraw/zinc/56/33/46/999563346.db2.gz MWIVSPSPYYLQEX-UHFFFAOYSA-N -1 1 356.455 2.689 20 10 FFCDMM O=C(CNC(=O)[C@@H]1CCc2c3ccccc3[nH]c2C1)c1ccc([O-])c(O)c1 ZINC001182717061 1002005873 /nfs/dbraw/zinc/00/58/73/1002005873.db2.gz DWBWVKCBPVDUEK-CYBMUJFWSA-N -1 1 364.401 2.683 20 10 FFCDMM CCOC(=O)[C@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000774942334 1003081829 /nfs/dbraw/zinc/08/18/29/1003081829.db2.gz QBEZCKRHJRBVFC-HNNXBMFYSA-N -1 1 374.393 2.573 20 10 FFCDMM Cc1nc(-c2cccnc2)nc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001170316212 1003106160 /nfs/dbraw/zinc/10/61/60/1003106160.db2.gz OFDSDVRMFXKPIT-UHFFFAOYSA-N -1 1 350.378 2.861 20 10 FFCDMM Cc1nc2c(NCC(=O)c3ccc([O-])c(O)c3)cc(C(F)(F)F)cn2n1 ZINC001170321192 1003110621 /nfs/dbraw/zinc/11/06/21/1003110621.db2.gz WOYQFUIRIDLAEY-UHFFFAOYSA-N -1 1 366.299 2.763 20 10 FFCDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)ccc1OC(F)F ZINC001170323377 1003112148 /nfs/dbraw/zinc/11/21/48/1003112148.db2.gz YUPVJZOUKDQQLB-UHFFFAOYSA-N -1 1 367.304 2.781 20 10 FFCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1cncc(Br)c1 ZINC001186410740 1003304493 /nfs/dbraw/zinc/30/44/93/1003304493.db2.gz DMECWIKAIHTTIR-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1cccc(Br)n1 ZINC001196317628 1003741216 /nfs/dbraw/zinc/74/12/16/1003741216.db2.gz IJWJESHADRLNMK-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM Cc1cc(C(=O)COC(=O)c2cn[n-]n2)c(C)n1-c1ccc(C)c(F)c1 ZINC000805605227 1004056562 /nfs/dbraw/zinc/05/65/62/1004056562.db2.gz WWXZKPADXUPRQX-UHFFFAOYSA-N -1 1 356.357 2.699 20 10 FFCDMM COC(=O)/C=C/c1cccc(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001197114188 1004090305 /nfs/dbraw/zinc/09/03/05/1004090305.db2.gz BNTFMXANHROPCM-AATRIKPKSA-N -1 1 369.345 2.657 20 10 FFCDMM CCOC(=O)C(C)(C)S(=O)(=O)Nc1cc(Cl)c([O-])cc1Cl ZINC001193058382 1004370677 /nfs/dbraw/zinc/37/06/77/1004370677.db2.gz SMOIEICQIJOTPG-UHFFFAOYSA-N -1 1 356.227 2.782 20 10 FFCDMM COC(=O)c1ccc(NC(=O)c2ccc(O)c([O-])c2Cl)c(C(C)=O)c1 ZINC001193229724 1004429918 /nfs/dbraw/zinc/42/99/18/1004429918.db2.gz KTDUHNZCXLMEJZ-UHFFFAOYSA-N -1 1 363.753 2.993 20 10 FFCDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000747370257 1004497247 /nfs/dbraw/zinc/49/72/47/1004497247.db2.gz BEADQMSMZOPEDA-UHFFFAOYSA-N -1 1 354.454 2.926 20 10 FFCDMM O=S(=O)([N-]Cc1cc(Cl)c2cccnc2c1O)c1nccs1 ZINC001187911069 1006298594 /nfs/dbraw/zinc/29/85/94/1006298594.db2.gz NRYDTLLJLDKPIZ-UHFFFAOYSA-N -1 1 355.828 2.529 20 10 FFCDMM COCCCOc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001180410347 1009684802 /nfs/dbraw/zinc/68/48/02/1009684802.db2.gz OHNNQCOOLSHXPK-UHFFFAOYSA-N -1 1 350.802 2.786 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(OCCCOc2ccccc2)C1 ZINC000826624915 1009913927 /nfs/dbraw/zinc/91/39/27/1009913927.db2.gz NCSYNZJFUMUANN-UHFFFAOYSA-N -1 1 361.369 2.547 20 10 FFCDMM O=C(/C=C\c1ccc(O)c(O)c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000759588330 1024675667 /nfs/dbraw/zinc/67/56/67/1024675667.db2.gz KPXKONRTZWTBBY-KXFIGUGUSA-N -1 1 354.314 2.666 20 10 FFCDMM O=C(CNC(=O)c1ccc2c(Cl)ccnc2c1)c1ccc([O-])c(O)c1 ZINC001153348496 1027846195 /nfs/dbraw/zinc/84/61/95/1027846195.db2.gz KBKFTMOPEIQVGU-UHFFFAOYSA-N -1 1 356.765 2.912 20 10 FFCDMM O=C(NC[C@H]1CCCC(F)(F)C1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235547 1028642298 /nfs/dbraw/zinc/64/22/98/1028642298.db2.gz OOZSISFHIATHCJ-VIFPVBQESA-N -1 1 353.321 2.760 20 10 FFCDMM CCc1c(C(=O)NCc2cccc(Br)c2[O-])cnn1CC ZINC001156791346 1029347297 /nfs/dbraw/zinc/34/72/97/1029347297.db2.gz IUIOEQRELOWTNC-UHFFFAOYSA-N -1 1 352.232 2.864 20 10 FFCDMM COCC[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000782977407 1029870371 /nfs/dbraw/zinc/87/03/71/1029870371.db2.gz SMYXJYOGVHPISL-INIZCTEOSA-N -1 1 371.433 2.566 20 10 FFCDMM COCC[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCOC1 ZINC000782977407 1029870378 /nfs/dbraw/zinc/87/03/78/1029870378.db2.gz SMYXJYOGVHPISL-INIZCTEOSA-N -1 1 371.433 2.566 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nc(C)cc(C)n3)CC2)c1[O-] ZINC000783010371 1029878914 /nfs/dbraw/zinc/87/89/14/1029878914.db2.gz CLKKKLQFGCUJSJ-UHFFFAOYSA-N -1 1 374.872 2.977 20 10 FFCDMM COc1nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc2ccccc21 ZINC000783198112 1029963484 /nfs/dbraw/zinc/96/34/84/1029963484.db2.gz HESKUIUHKIPTRK-UHFFFAOYSA-N -1 1 353.330 2.694 20 10 FFCDMM COc1ccc(CN[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998162 1029967858 /nfs/dbraw/zinc/96/78/58/1029967858.db2.gz OVWKFYHHHKOSBA-HKUYNNGSSA-N -1 1 368.433 2.520 20 10 FFCDMM O=C(COC(=O)[C@H]1CCCCN1Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000783809521 1030284249 /nfs/dbraw/zinc/28/42/49/1030284249.db2.gz NMELTXQGYPCXTL-QGZVFWFLSA-N -1 1 369.417 2.878 20 10 FFCDMM Cn1cc2c(n1)CN(Cc1cc(F)c(F)cc1[O-])C[C@@H]2COCC1CC1 ZINC001142512942 1030562339 /nfs/dbraw/zinc/56/23/39/1030562339.db2.gz QPPCHFNGSDNBGG-CQSZACIVSA-N -1 1 363.408 2.930 20 10 FFCDMM O=C(COC(=O)c1c[nH]c2cccc([N+](=O)[O-])c12)c1ccc([O-])c(O)c1 ZINC000784435967 1030618963 /nfs/dbraw/zinc/61/89/63/1030618963.db2.gz RXHQWNNKOBHUPM-UHFFFAOYSA-N -1 1 356.290 2.527 20 10 FFCDMM COc1ccc(Cn2cc(CNCc3cccc(Cl)c3[O-])nn2)cc1 ZINC001204001683 1031032833 /nfs/dbraw/zinc/03/28/33/1031032833.db2.gz BZEIEZCZMKELLP-UHFFFAOYSA-N -1 1 358.829 2.984 20 10 FFCDMM COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(F)c1[O-] ZINC001138123918 1033800464 /nfs/dbraw/zinc/80/04/64/1033800464.db2.gz RMUDJMWVQRZIIG-CQSZACIVSA-N -1 1 354.422 2.599 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CC(N2CCC(F)(F)CC2)C1 ZINC001139128993 1034958164 /nfs/dbraw/zinc/95/81/64/1034958164.db2.gz JWJUEGONCSXJKY-UHFFFAOYSA-N -1 1 364.392 2.722 20 10 FFCDMM C[C@@H]1CCc2[nH]nc(C(=O)NCc3cccc(Br)c3[O-])c2C1 ZINC001139974572 1035294576 /nfs/dbraw/zinc/29/45/76/1035294576.db2.gz HDZQLJFHRDUIEI-SECBINFHSA-N -1 1 364.243 2.933 20 10 FFCDMM CCCOC(=O)[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227579919 1035616793 /nfs/dbraw/zinc/61/67/93/1035616793.db2.gz ASMBJAZXRYXCSH-LLVKDONJSA-N -1 1 354.358 2.888 20 10 FFCDMM COC(=O)[C@@H]1C[C@@H](C)CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031330 1036272083 /nfs/dbraw/zinc/27/20/83/1036272083.db2.gz BWKYVDATBRKUIT-NXEZZACHSA-N -1 1 360.223 2.925 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H](C[N+](=O)[O-])C1CC1)C(=O)c1ccccc1C2=O ZINC001229828909 1036922471 /nfs/dbraw/zinc/92/24/71/1036922471.db2.gz HXFCKANSYXHWKS-INIZCTEOSA-N -1 1 367.357 2.910 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](n2cncn2)C1 ZINC001235303266 1037463498 /nfs/dbraw/zinc/46/34/98/1037463498.db2.gz MRURZHBSSSJVNU-GFCCVEGCSA-N -1 1 355.211 2.722 20 10 FFCDMM O=C([O-])c1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)c(O)c1 ZINC001231451665 1037592891 /nfs/dbraw/zinc/59/28/91/1037592891.db2.gz PDRCFKRFKXBXDC-UHFFFAOYSA-N -1 1 371.437 2.619 20 10 FFCDMM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001231453321 1037595125 /nfs/dbraw/zinc/59/51/25/1037595125.db2.gz GMDKXQZXWBITSD-BETUJISGSA-N -1 1 364.442 2.920 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC12CC2 ZINC001231565450 1037689915 /nfs/dbraw/zinc/68/99/15/1037689915.db2.gz WVOLNPZUXWIINZ-UHFFFAOYSA-N -1 1 362.426 2.676 20 10 FFCDMM NC(=O)[C@@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1cc(C(=O)[O-])ccc1O ZINC001231566089 1037689978 /nfs/dbraw/zinc/68/99/78/1037689978.db2.gz PUQNCBDAYHCITC-MJGOQNOKSA-N -1 1 368.433 2.714 20 10 FFCDMM CCOC(=O)[C@H]1C(=O)CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001236666086 1038181086 /nfs/dbraw/zinc/18/10/86/1038181086.db2.gz MXFKQUDRKFPTOI-CQSZACIVSA-N -1 1 370.243 2.560 20 10 FFCDMM COC(=O)[C@@H]1CC(F)(F)CN1Cc1cc(C)cc(Br)c1[O-] ZINC001236668739 1038183122 /nfs/dbraw/zinc/18/31/22/1038183122.db2.gz GXWJUGMGNQJXID-NSHDSACASA-N -1 1 364.186 2.846 20 10 FFCDMM CCOC[C@H]1CN(Cc2cc(Cl)c(Cl)cc2[O-])Cc2nnn(C)c21 ZINC001236794579 1038275050 /nfs/dbraw/zinc/27/50/50/1038275050.db2.gz YBAXQWMXOKIJMD-LLVKDONJSA-N -1 1 371.268 2.963 20 10 FFCDMM COC[C@@H]1Cn2nccc2CN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236814285 1038287897 /nfs/dbraw/zinc/28/78/97/1038287897.db2.gz UXUIPICCPIJPEW-LBPRGKRZSA-N -1 1 351.834 2.529 20 10 FFCDMM CC(=O)[C@H](C)N1CC[C@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278023376 1038333493 /nfs/dbraw/zinc/33/34/93/1038333493.db2.gz UUNVHEIQWCIJKD-BBATYDOGSA-N -1 1 368.836 2.729 20 10 FFCDMM CNC(=O)[C@@H]1CC12CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001278043993 1038439593 /nfs/dbraw/zinc/43/95/93/1038439593.db2.gz AFRQTEAQQQOING-LBPRGKRZSA-N -1 1 371.250 2.642 20 10 FFCDMM Cc1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2F)ccc1O ZINC001259218941 1039810742 /nfs/dbraw/zinc/81/07/42/1039810742.db2.gz NXSYJHASNQICHQ-UHFFFAOYSA-N -1 1 359.762 2.992 20 10 FFCDMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)ccc1O ZINC001259445454 1040009799 /nfs/dbraw/zinc/00/97/99/1040009799.db2.gz CMSVQKATNOMQMO-UHFFFAOYSA-N -1 1 357.334 2.997 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(OC(F)F)c2)ccc1O ZINC001259445150 1040011486 /nfs/dbraw/zinc/01/14/86/1040011486.db2.gz PHOLJUSISJUHDQ-UHFFFAOYSA-N -1 1 373.333 2.581 20 10 FFCDMM COc1ccc(OCCCS(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001259648143 1040134321 /nfs/dbraw/zinc/13/43/21/1040134321.db2.gz DSVHNAIURCKWMP-UHFFFAOYSA-N -1 1 373.377 2.890 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c3cnccc32)ccc1O ZINC001260093195 1040398560 /nfs/dbraw/zinc/39/85/60/1040398560.db2.gz BQTTUSDCKIGYAA-UHFFFAOYSA-N -1 1 372.402 2.836 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1COC2(CCCCC2)O1 ZINC001312382468 1044104001 /nfs/dbraw/zinc/10/40/01/1044104001.db2.gz SCDQJZJXFYTKTR-CYBMUJFWSA-N -1 1 354.834 2.921 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1COC2(CCCCC2)O1 ZINC001312382470 1044104149 /nfs/dbraw/zinc/10/41/49/1044104149.db2.gz SCDQJZJXFYTKTR-ZDUSSCGKSA-N -1 1 354.834 2.921 20 10 FFCDMM CSc1ncc(C(=O)N(C)Cc2ccc(N3CCCC3)cc2)c(=O)[n-]1 ZINC001539468890 1070644407 /nfs/dbraw/zinc/64/44/07/1070644407.db2.gz SLBZHAIYGYAEEX-UHFFFAOYSA-N -1 1 358.467 2.777 20 10 FFCDMM Cc1ccn(-c2cccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2)n1 ZINC001320878971 1045486955 /nfs/dbraw/zinc/48/69/55/1045486955.db2.gz NEWGXTGLGNLYMF-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM CC1CCN(c2ccc(CNC(=O)c3cc([N+](=O)[O-])c[n-]c3=O)cc2)CC1 ZINC000731053661 1047236772 /nfs/dbraw/zinc/23/67/72/1047236772.db2.gz WRQBIIQNZRJCMG-UHFFFAOYSA-N -1 1 370.409 2.862 20 10 FFCDMM O=C([O-])C[C@@H](C[NH2+]Cc1c([O-])cccc1Br)c1ccncc1 ZINC001334409527 1049411793 /nfs/dbraw/zinc/41/17/93/1049411793.db2.gz ZLGCTFUSVHWHKO-LBPRGKRZSA-N -1 1 365.227 2.898 20 10 FFCDMM COc1cccc(C2=NO[C@@H](C(=O)NCc3cccc(Cl)c3[O-])C2)c1 ZINC001305084046 1051801626 /nfs/dbraw/zinc/80/16/26/1051801626.db2.gz FPICDKOEEVIPIX-MRXNPFEDSA-N -1 1 360.797 2.864 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3ncco3)c2)c1 ZINC000754499948 1052474498 /nfs/dbraw/zinc/47/44/98/1052474498.db2.gz USKCZTBWFZTKBD-UHFFFAOYSA-N -1 1 373.390 2.671 20 10 FFCDMM CC(=O)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1C ZINC001452488137 1059230966 /nfs/dbraw/zinc/23/09/66/1059230966.db2.gz HQTNOAUPAVEIFT-UHFFFAOYSA-N -1 1 362.407 2.527 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C(C)(C)C1 ZINC001458020797 1060489869 /nfs/dbraw/zinc/48/98/69/1060489869.db2.gz CUHDBNHGQHKEBX-LBPRGKRZSA-N -1 1 368.405 2.612 20 10 FFCDMM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)c1ccccc1F)c1ccccc1O ZINC001475585977 1061150345 /nfs/dbraw/zinc/15/03/45/1061150345.db2.gz QSDHWBJXGHHJNM-QVQLBTGDSA-N -1 1 372.443 2.584 20 10 FFCDMM O=C(NCCN1CCc2sccc2C1)NCc1cccc(Cl)c1[O-] ZINC001477607179 1061751142 /nfs/dbraw/zinc/75/11/42/1061751142.db2.gz JJSGQCQEGTZZHI-UHFFFAOYSA-N -1 1 365.886 2.965 20 10 FFCDMM O=C(NCc1n[nH]cc1Br)NCc1cccc(Cl)c1[O-] ZINC001477946516 1061849352 /nfs/dbraw/zinc/84/93/52/1061849352.db2.gz ZSUDJYKKMBFPHS-UHFFFAOYSA-N -1 1 359.611 2.531 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NCc1ccccc1Cn1cncn1 ZINC001478526371 1062041731 /nfs/dbraw/zinc/04/17/31/1062041731.db2.gz CAVLRZMYBVOOCQ-UHFFFAOYSA-N -1 1 371.828 2.685 20 10 FFCDMM Cc1nn(C)c(Br)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001558756866 1076070294 /nfs/dbraw/zinc/07/02/94/1076070294.db2.gz FNONZIUWYOVTRJ-UHFFFAOYSA-N -1 1 358.623 2.780 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CC[C@H](CNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC001559037647 1076118821 /nfs/dbraw/zinc/11/88/21/1076118821.db2.gz FRGMVHHWGVDVEW-WDEREUQCSA-N -1 1 368.405 2.660 20 10 FFCDMM Cc1cc(C[C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])[nH]n1 ZINC000277330152 510960827 /nfs/dbraw/zinc/96/08/27/510960827.db2.gz FAKBUXWBBLEOEF-SECBINFHSA-N -1 1 367.247 2.617 20 10 FFCDMM CCN(CC)C(=O)CCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277561307 510966139 /nfs/dbraw/zinc/96/61/39/510966139.db2.gz PKWSYRAUOJRJJN-UHFFFAOYSA-N -1 1 371.275 2.810 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000277588646 510966966 /nfs/dbraw/zinc/96/69/66/510966966.db2.gz TYSMEDKRSDDZTF-JTQLQIEISA-N -1 1 357.248 2.769 20 10 FFCDMM Cn1ccnc1[C@H](NCc1cc(Cl)cc([N+](=O)[O-])c1[O-])C(C)(C)CO ZINC000295143729 511297934 /nfs/dbraw/zinc/29/79/34/511297934.db2.gz ZZQFUCUWKGMNNP-AWEZNQCLSA-N -1 1 368.821 2.537 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@@H]2C)c1 ZINC000833897371 605912953 /nfs/dbraw/zinc/91/29/53/605912953.db2.gz JBUSVNVOCBQEQV-QWRGUYRKSA-N -1 1 357.248 2.941 20 10 FFCDMM Cc1cc(C(=O)Nc2nnn[n-]2)c(C)n1-c1ccc(Br)cc1 ZINC000118685521 728584239 /nfs/dbraw/zinc/58/42/39/728584239.db2.gz ZMEPLULIVDFAPX-UHFFFAOYSA-N -1 1 361.203 2.622 20 10 FFCDMM Cc1cc(C(=O)Nc2nn[n-]n2)c(C)n1-c1ccc(Br)cc1 ZINC000118685521 728584240 /nfs/dbraw/zinc/58/42/40/728584240.db2.gz ZMEPLULIVDFAPX-UHFFFAOYSA-N -1 1 361.203 2.622 20 10 FFCDMM Cc1cc(=O)[nH]c(C(C)(C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])n1 ZINC000862432459 730702284 /nfs/dbraw/zinc/70/22/84/730702284.db2.gz DWCRDERDZDQVQH-UHFFFAOYSA-N -1 1 352.778 2.783 20 10 FFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)cn1 ZINC000874048857 732001698 /nfs/dbraw/zinc/00/16/98/732001698.db2.gz DVWPXLIORFOLRB-CMPLNLGQSA-N -1 1 367.808 2.609 20 10 FFCDMM O=C1N[C@@H](c2c([O-])cccc2Br)N2Cc3ccccc3C[C@@H]12 ZINC000877865673 732445787 /nfs/dbraw/zinc/44/57/87/732445787.db2.gz HCOLWWNEKRZKTI-XJKSGUPXSA-N -1 1 359.223 2.710 20 10 FFCDMM Cc1cc(Br)oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783039144 738774919 /nfs/dbraw/zinc/77/49/19/738774919.db2.gz HTKILBBSCBCIND-UHFFFAOYSA-N -1 1 355.140 2.801 20 10 FFCDMM Cc1ccc(CCC(=O)NCC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC000890757691 734336317 /nfs/dbraw/zinc/33/63/17/734336317.db2.gz IHLOGCRCGNRDOE-UHFFFAOYSA-N -1 1 360.841 2.719 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](C[C@@H]1COCCO1)C(F)(F)F ZINC000890761067 734337291 /nfs/dbraw/zinc/33/72/91/734337291.db2.gz JVFPEJJIEUHWET-MNOVXSKESA-N -1 1 367.751 2.646 20 10 FFCDMM O=C(COC(=O)[C@H]1SCCc2sccc21)c1ccc([O-])c(O)c1 ZINC000783926099 738849568 /nfs/dbraw/zinc/84/95/68/738849568.db2.gz XIRYFFQNFJBNPA-HNNXBMFYSA-N -1 1 350.417 2.916 20 10 FFCDMM Cn1c(=O)ccc2c1CCC[C@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895596181 735029675 /nfs/dbraw/zinc/02/96/75/735029675.db2.gz ZJDLXHADDPWSIA-CQSZACIVSA-N -1 1 361.829 2.621 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896581541 735175828 /nfs/dbraw/zinc/17/58/28/735175828.db2.gz ZWRGFIJOESYZLS-ONGXEEELSA-N -1 1 352.740 2.955 20 10 FFCDMM Cc1cc(F)cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000747607960 735573669 /nfs/dbraw/zinc/57/36/69/735573669.db2.gz SXNVYAZTPGKXPO-UHFFFAOYSA-N -1 1 350.415 2.772 20 10 FFCDMM COc1cc(O)ccc1[N-]S(=O)(=O)C[C@H](Cc1ccc(F)cc1)OC ZINC000901702637 735823000 /nfs/dbraw/zinc/82/30/00/735823000.db2.gz FXGKZFVONMLHMR-HNNXBMFYSA-N -1 1 369.414 2.539 20 10 FFCDMM Cc1cc(F)cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)c1 ZINC000761592792 736747285 /nfs/dbraw/zinc/74/72/85/736747285.db2.gz CJRZGIPIPLYYOW-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1-c1cccc(Cl)c1 ZINC000765456775 737120721 /nfs/dbraw/zinc/12/07/21/737120721.db2.gz BBDALYYWQLBCEQ-UHFFFAOYSA-N -1 1 360.801 2.526 20 10 FFCDMM COC[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000765527378 737129912 /nfs/dbraw/zinc/12/99/12/737129912.db2.gz LKSJHJYHCQRYKZ-LBPRGKRZSA-N -1 1 369.215 2.935 20 10 FFCDMM Cc1ncc([N+](=O)[O-])cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765726622 737149585 /nfs/dbraw/zinc/14/95/85/737149585.db2.gz IAISMECXCGHQKG-UHFFFAOYSA-N -1 1 366.171 2.696 20 10 FFCDMM O=C(Cc1ccccc1[N+](=O)[O-])NCc1cccc(Br)c1[O-] ZINC000765751948 737153825 /nfs/dbraw/zinc/15/38/25/737153825.db2.gz BGKZEVAWOIBQBA-UHFFFAOYSA-N -1 1 365.183 2.922 20 10 FFCDMM COc1c(C)ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1C ZINC000769697504 737554863 /nfs/dbraw/zinc/55/48/63/737554863.db2.gz SHTPVBSBFLSVML-UHFFFAOYSA-N -1 1 364.423 2.641 20 10 FFCDMM CC[C@H](CNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979422 737937816 /nfs/dbraw/zinc/93/78/16/737937816.db2.gz LXGFRIHYLILWRQ-VQCBNXJZSA-N -1 1 359.495 2.553 20 10 FFCDMM CNS(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC000792177117 739647270 /nfs/dbraw/zinc/64/72/70/739647270.db2.gz SMGTUACYPGDJMM-UHFFFAOYSA-N -1 1 370.833 2.656 20 10 FFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@]2(CCOC2)O1 ZINC000793362546 739773760 /nfs/dbraw/zinc/77/37/60/739773760.db2.gz VQXGDJKCGGRWPP-CJNGLKHVSA-N -1 1 356.806 2.724 20 10 FFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000793362547 739773864 /nfs/dbraw/zinc/77/38/64/739773864.db2.gz VQXGDJKCGGRWPP-CZUORRHYSA-N -1 1 356.806 2.724 20 10 FFCDMM CCOC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819336 740275779 /nfs/dbraw/zinc/27/57/79/740275779.db2.gz GMVDXLNUFTYFCH-UHFFFAOYSA-N -1 1 365.407 2.687 20 10 FFCDMM CC(C)(C)CS(=O)(=O)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000799776237 740450392 /nfs/dbraw/zinc/45/03/92/740450392.db2.gz ONBCGTPLIXMQTH-HNNXBMFYSA-N -1 1 374.934 2.976 20 10 FFCDMM C[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])c2nccn21 ZINC000836630076 746272621 /nfs/dbraw/zinc/27/26/21/746272621.db2.gz YEZKZOLAQCGFIE-JOYOIKCWSA-N -1 1 365.231 2.856 20 10 FFCDMM CO[C@H](CC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000846013573 748382529 /nfs/dbraw/zinc/38/25/29/748382529.db2.gz CNRDZTLOZOPYIF-SECBINFHSA-N -1 1 356.138 2.738 20 10 FFCDMM CCOCCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275950942 1013223245 /nfs/dbraw/zinc/22/32/45/1013223245.db2.gz BQKMNQKHNPZDMO-IBGZPJMESA-N -1 1 368.424 2.664 20 10 FFCDMM CC(C)=CCN1C[C@@]2(F)CN(Cc3c([O-])cccc3F)C[C@@]2(F)C1=O ZINC001276031152 1013296404 /nfs/dbraw/zinc/29/64/04/1013296404.db2.gz DYAIQFMEHBTDPZ-ZWKOTPCHSA-N -1 1 354.372 2.572 20 10 FFCDMM COc1cc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)[nH]c2cc1OC ZINC000783725478 980214945 /nfs/dbraw/zinc/21/49/45/980214945.db2.gz XWXQZUWTXLTDND-UHFFFAOYSA-N -1 1 371.345 2.636 20 10 FFCDMM COc1ccc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916591435 989831457 /nfs/dbraw/zinc/83/14/57/989831457.db2.gz LNOOVFUMBVGTBY-UHFFFAOYSA-N -1 1 360.362 2.692 20 10 FFCDMM C/C=C\c1ccc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OC)c1 ZINC000916618497 989843319 /nfs/dbraw/zinc/84/33/19/989843319.db2.gz MRASWGOIRSRGNG-ARJAWSKDSA-N -1 1 372.373 2.944 20 10 FFCDMM C/C=C/c1ccc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OC)c1 ZINC000916618504 989843341 /nfs/dbraw/zinc/84/33/41/989843341.db2.gz MRASWGOIRSRGNG-ONEGZZNKSA-N -1 1 372.373 2.944 20 10 FFCDMM COc1ccc(N2CCN(Cc3sccc3C(=O)[O-])CC2)c(OC)c1 ZINC001144684574 1000196940 /nfs/dbraw/zinc/19/69/40/1000196940.db2.gz KGSRIWZKYCLRSO-UHFFFAOYSA-N -1 1 362.451 2.786 20 10 FFCDMM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2n[n-]c(C3=S=CC=C3)n2)cc1 ZINC000770738265 1000907029 /nfs/dbraw/zinc/90/70/29/1000907029.db2.gz JQQREUPEGXZAOW-UHFFFAOYSA-N -1 1 370.434 2.638 20 10 FFCDMM CC(C)(C)OC(=O)c1ccc(C(=O)Nc2nc(C3=S=CC=C3)n[n-]2)cc1 ZINC000770738265 1000907033 /nfs/dbraw/zinc/90/70/33/1000907033.db2.gz JQQREUPEGXZAOW-UHFFFAOYSA-N -1 1 370.434 2.638 20 10 FFCDMM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N(Cc1cnc[nH]1)Cc1ccccc1 ZINC001147884727 1001002333 /nfs/dbraw/zinc/00/23/33/1001002333.db2.gz WNOXDLGZFNVCPX-UHFFFAOYSA-N -1 1 373.416 2.731 20 10 FFCDMM O=C(NCc1ccc(N2CCCCCC2)nc1)c1c(F)ccc(O)c1[O-] ZINC000789957334 1002238369 /nfs/dbraw/zinc/23/83/69/1002238369.db2.gz QZVRMXLOJBGZQI-UHFFFAOYSA-N -1 1 359.401 2.942 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCCC[C@@H](C)C3)cc12 ZINC001184356707 1002565511 /nfs/dbraw/zinc/56/55/11/1002565511.db2.gz LRAKDDNXOXDUGY-CQSZACIVSA-N -1 1 372.465 2.887 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N(C(C)C)C(C)C)cc12 ZINC001184355112 1002579697 /nfs/dbraw/zinc/57/96/97/1002579697.db2.gz RPAFYYVDTYQURN-UHFFFAOYSA-N -1 1 360.454 2.884 20 10 FFCDMM COc1ccccc1C1(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)CCC1 ZINC001184993025 1002780906 /nfs/dbraw/zinc/78/09/06/1002780906.db2.gz FPZGNYBHFODXFK-UHFFFAOYSA-N -1 1 369.417 2.917 20 10 FFCDMM CCOC(=O)c1ccc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170313705 1003104857 /nfs/dbraw/zinc/10/48/57/1003104857.db2.gz CHVPRYPRZWRIIP-UHFFFAOYSA-N -1 1 350.758 2.618 20 10 FFCDMM O=C(CNc1nc(C2CC2)nc(Cl)c1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001170317061 1003106694 /nfs/dbraw/zinc/10/66/94/1003106694.db2.gz XGPAZQULQCODEP-UHFFFAOYSA-N -1 1 364.745 2.622 20 10 FFCDMM O=C(CNc1cnc2c(Br)cccn12)c1ccc([O-])c(O)c1 ZINC001170322275 1003110071 /nfs/dbraw/zinc/11/00/71/1003110071.db2.gz IUQBYTQEBAUIIK-UHFFFAOYSA-N -1 1 362.183 2.803 20 10 FFCDMM C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232450 1004411948 /nfs/dbraw/zinc/41/19/48/1004411948.db2.gz KAHZYIXIBRCYGY-ZJUUUORDSA-N -1 1 370.833 2.879 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Nc1cccc(Br)c1 ZINC001187478609 1006106979 /nfs/dbraw/zinc/10/69/79/1006106979.db2.gz PFXPUNCLLRXPKM-UHFFFAOYSA-N -1 1 365.183 2.865 20 10 FFCDMM COc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1C(F)(F)F ZINC001190816628 1007793624 /nfs/dbraw/zinc/79/36/24/1007793624.db2.gz OUVBGWMDNOCKOR-UHFFFAOYSA-N -1 1 369.295 2.738 20 10 FFCDMM O=C(Cc1ccc(-c2ccccn2)cc1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177952651 1008814044 /nfs/dbraw/zinc/81/40/44/1008814044.db2.gz YALMZJNEFXXYMZ-UHFFFAOYSA-N -1 1 362.385 2.701 20 10 FFCDMM C[C@@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863942107 1010362677 /nfs/dbraw/zinc/36/26/77/1010362677.db2.gz LHBHTRANTYLBEB-GHMZBOCLSA-N -1 1 368.405 2.755 20 10 FFCDMM CCCCN1C[C@]2(CC1=O)COCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001275229695 1012110088 /nfs/dbraw/zinc/11/00/88/1012110088.db2.gz OGUYESXNWAFHLT-LJQANCHMSA-N -1 1 368.424 2.521 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@H]2OCCN(Cc3c([O-])cccc3F)[C@H]2C1 ZINC001137832792 1033166302 /nfs/dbraw/zinc/16/63/02/1033166302.db2.gz HWMZSQRDINCMSC-DOTOQJQBSA-N -1 1 366.433 2.742 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(=O)n(Cc2ccccc2)n1 ZINC001159033342 1027237720 /nfs/dbraw/zinc/23/77/20/1027237720.db2.gz GNFQKBPKSBIYCB-UHFFFAOYSA-N -1 1 369.808 2.581 20 10 FFCDMM O=C(CNc1nc(-c2cccnc2)nc2c1CCC2)c1ccc([O-])c(O)c1 ZINC001159280557 1027336425 /nfs/dbraw/zinc/33/64/25/1027336425.db2.gz XPSYAZKIVGKEID-UHFFFAOYSA-N -1 1 362.389 2.733 20 10 FFCDMM C[C@@H]1c2ccccc2CCN1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222573 1028631290 /nfs/dbraw/zinc/63/12/90/1028631290.db2.gz QASBQMKLOMNCBA-LLVKDONJSA-N -1 1 351.358 2.964 20 10 FFCDMM Cc1[nH]nc2cc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cc(F)c12 ZINC001155227782 1028634816 /nfs/dbraw/zinc/63/48/16/1028634816.db2.gz FHLGSOHNHSPHOZ-UHFFFAOYSA-N -1 1 369.308 2.780 20 10 FFCDMM O=C(CCc1cnn(-c2ccccc2)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782199264 1029606865 /nfs/dbraw/zinc/60/68/65/1029606865.db2.gz KZDJDQXKTZONEA-UHFFFAOYSA-N -1 1 366.373 2.642 20 10 FFCDMM C[C@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782784143 1029819677 /nfs/dbraw/zinc/81/96/77/1029819677.db2.gz SHHXLXQSKOELIL-XHDPSFHLSA-N -1 1 369.373 2.732 20 10 FFCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000783763504 1030270448 /nfs/dbraw/zinc/27/04/48/1030270448.db2.gz HEKIPZOFUOXXPS-UHFFFAOYSA-N -1 1 359.334 2.710 20 10 FFCDMM C[C@@H](CC(=O)c1ccccc1F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783903371 1030328865 /nfs/dbraw/zinc/32/88/65/1030328865.db2.gz PUALKPICCLPSHR-NSHDSACASA-N -1 1 360.337 2.872 20 10 FFCDMM O=C(c1ccc(F)cc1)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142524571 1030576502 /nfs/dbraw/zinc/57/65/02/1030576502.db2.gz BLDUQNDFOIPIEV-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM CCOC(=O)c1nc2c(s1)CN(Cc1cc(F)c(F)cc1[O-])CC2 ZINC001142527016 1030579554 /nfs/dbraw/zinc/57/95/54/1030579554.db2.gz GRDQTKAQZHRSJK-UHFFFAOYSA-N -1 1 354.378 2.862 20 10 FFCDMM O=C1COCCN1C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001203585209 1030773810 /nfs/dbraw/zinc/77/38/10/1030773810.db2.gz FGUDIMXOEGYKLH-UHFFFAOYSA-N -1 1 359.253 2.522 20 10 FFCDMM COc1cccc(CN(C)Cc2ccc(N(C)C)cc2)c1OCC(=O)[O-] ZINC001139269172 1035034066 /nfs/dbraw/zinc/03/40/66/1035034066.db2.gz DKHXIVPYURSFNA-UHFFFAOYSA-N -1 1 358.438 2.857 20 10 FFCDMM CN1C(=O)N[C@@](C)(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C1=O ZINC001202970057 1035228578 /nfs/dbraw/zinc/22/85/78/1035228578.db2.gz DCLLPLLSTWODHE-SFHVURJKSA-N -1 1 361.348 2.679 20 10 FFCDMM COC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c(O)cccc1Cl ZINC001140341705 1035444463 /nfs/dbraw/zinc/44/44/63/1035444463.db2.gz DFIPJGUQHLVORP-GOSISDBHSA-N -1 1 374.868 2.905 20 10 FFCDMM COC(=O)C1(C)CC(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C1 ZINC001228108173 1035936633 /nfs/dbraw/zinc/93/66/33/1035936633.db2.gz CWEXHZRCCUFJPK-UHFFFAOYSA-N -1 1 372.373 2.755 20 10 FFCDMM CC1(C)OC[C@H](CCOc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)O1 ZINC001228114003 1035941739 /nfs/dbraw/zinc/94/17/39/1035941739.db2.gz GTVQRMDTCMSQIV-AWEZNQCLSA-N -1 1 374.389 2.955 20 10 FFCDMM COC[C@H]1Cn2ccnc2CN(Cc2cccc(C(F)(F)F)c2[O-])C1 ZINC001233417206 1036610352 /nfs/dbraw/zinc/61/03/52/1036610352.db2.gz MKJZJMRBZIHBPG-GFCCVEGCSA-N -1 1 355.360 2.886 20 10 FFCDMM CCOC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2nnn(C)c21 ZINC001233417384 1036610742 /nfs/dbraw/zinc/61/07/42/1036610742.db2.gz SGFYHFCJYTXEPY-GFCCVEGCSA-N -1 1 370.375 2.675 20 10 FFCDMM CC[C@@H](C)N1C(=O)COCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001277830239 1036911112 /nfs/dbraw/zinc/91/11/12/1036911112.db2.gz OFQYFZOUQFYWCD-LLVKDONJSA-N -1 1 373.280 2.911 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CCCOC1=O)C(=O)c1ccccc1C2=O ZINC001229829310 1036922769 /nfs/dbraw/zinc/92/27/69/1036922769.db2.gz QTBSIBGTZQMACX-HNNXBMFYSA-N -1 1 352.342 2.560 20 10 FFCDMM O=C1CCCN1C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235305040 1037463761 /nfs/dbraw/zinc/46/37/61/1037463761.db2.gz JBFALWNPYTUBJW-UHFFFAOYSA-N -1 1 371.250 2.881 20 10 FFCDMM O=C([O-])c1ccc(C[N@H+]2CC[C@]3(CCN(c4ccsc4)C3=O)C2)c(O)c1 ZINC001231449105 1037589002 /nfs/dbraw/zinc/58/90/02/1037589002.db2.gz DYEXKYPMMPGZTJ-IBGZPJMESA-N -1 1 372.446 2.781 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1ccc(C(=O)[O-])cc1O ZINC001231449267 1037589700 /nfs/dbraw/zinc/58/97/00/1037589700.db2.gz IDQZXAFHFDPSOO-OLZOCXBDSA-N -1 1 364.442 2.920 20 10 FFCDMM CC(C)(C)OC(=O)N1CC2(C1)CCCN2Cc1cc(C(=O)[O-])ccc1O ZINC001231560744 1037685085 /nfs/dbraw/zinc/68/50/85/1037685085.db2.gz LFPFQBMMUXEMBY-UHFFFAOYSA-N -1 1 362.426 2.676 20 10 FFCDMM CC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231564983 1037690076 /nfs/dbraw/zinc/69/00/76/1037690076.db2.gz MNBRIEAVRAIQRE-OAHLLOKOSA-N -1 1 364.442 2.922 20 10 FFCDMM COc1cc([O-])c(CN2CC[C@@](O)(C(F)(F)F)[C@H](F)C2)c(Cl)c1 ZINC001236798090 1038277310 /nfs/dbraw/zinc/27/73/10/1038277310.db2.gz LBEFTIBHOTXVAL-OLZOCXBDSA-N -1 1 357.731 2.891 20 10 FFCDMM COC(=O)c1cn2c(n1)CN(Cc1c([O-])ccc(Cl)c1Cl)CC2 ZINC001237084879 1038439640 /nfs/dbraw/zinc/43/96/40/1038439640.db2.gz PVMIRKXXIYXBTI-UHFFFAOYSA-N -1 1 356.209 2.698 20 10 FFCDMM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cc(F)c(F)cc1Cl ZINC001260288574 1040513159 /nfs/dbraw/zinc/51/31/59/1040513159.db2.gz WOXWLYPIWPPTKZ-UHFFFAOYSA-N -1 1 363.769 2.550 20 10 FFCDMM CC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC001260388080 1040571412 /nfs/dbraw/zinc/57/14/12/1040571412.db2.gz PSCNAQUNLHBLGD-UHFFFAOYSA-N -1 1 351.384 2.834 20 10 FFCDMM CC(C)CCn1nccc1NC(=O)C(=O)NCc1cccc(Cl)c1[O-] ZINC001262776558 1041849598 /nfs/dbraw/zinc/84/95/98/1041849598.db2.gz HOIDEGDKYGROHV-UHFFFAOYSA-N -1 1 364.833 2.543 20 10 FFCDMM O=C([O-])c1ccc(CN2CC3(CCN3CCCC(F)(F)F)C2)c(O)c1 ZINC001279260821 1042971793 /nfs/dbraw/zinc/97/17/93/1042971793.db2.gz GWLHQXQRHDAZEH-UHFFFAOYSA-N -1 1 358.360 2.693 20 10 FFCDMM Cc1ncsc1CN1CC2(C1)CN(Cc1ccc(F)c(F)c1[O-])C2 ZINC001279697362 1043486817 /nfs/dbraw/zinc/48/68/17/1043486817.db2.gz JKAFUKWUJAZWHB-UHFFFAOYSA-N -1 1 351.422 2.753 20 10 FFCDMM CCCC[C@H]1CN(S(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CCN1 ZINC001239117349 1044035693 /nfs/dbraw/zinc/03/56/93/1044035693.db2.gz NHZCMYWPYWXUEP-NSHDSACASA-N -1 1 367.298 2.852 20 10 FFCDMM O=C(COC(=O)c1ccc(Cn2cccc2)cc1)c1ccc([O-])c(O)c1 ZINC001324778572 1046220760 /nfs/dbraw/zinc/22/07/60/1046220760.db2.gz ZIBQGOGQPVPTQZ-UHFFFAOYSA-N -1 1 351.358 2.987 20 10 FFCDMM COc1ccc(-n2nnc(C(=O)NCc3cccc(Cl)c3[O-])c2C)cc1 ZINC001305069925 1051794467 /nfs/dbraw/zinc/79/44/67/1051794467.db2.gz UZBZSLYIUHQLBX-UHFFFAOYSA-N -1 1 372.812 2.873 20 10 FFCDMM C[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1nc(-c2ccccc2)no1 ZINC001306819595 1052192451 /nfs/dbraw/zinc/19/24/51/1052192451.db2.gz QCULFDFQIYEQJL-SNVBAGLBSA-N -1 1 357.341 2.820 20 10 FFCDMM O=C(NC[C@H](NCc1ccccc1)C(F)(F)F)c1c([O-])c(O)ccc1F ZINC001457814113 1060450400 /nfs/dbraw/zinc/45/04/00/1060450400.db2.gz NVLJVWVALLCAIJ-ZDUSSCGKSA-N -1 1 372.318 2.687 20 10 FFCDMM Cc1ccc(N2CC[C@@H](NC(=O)NCc3cccc(Cl)c3[O-])C2=O)cc1 ZINC001468878360 1064053210 /nfs/dbraw/zinc/05/32/10/1064053210.db2.gz FFAICTYEZAHQIP-MRXNPFEDSA-N -1 1 373.840 2.959 20 10 FFCDMM Cc1c[nH]c(=O)c(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC001471511542 1064703611 /nfs/dbraw/zinc/70/36/11/1064703611.db2.gz QENBZTNRWAGRRM-UHFFFAOYSA-N -1 1 366.215 2.563 20 10 FFCDMM O=C(NC1CC1)c1c[nH]nc1NCc1cc(Br)cc(F)c1[O-] ZINC001560616820 1076284072 /nfs/dbraw/zinc/28/40/72/1076284072.db2.gz BXZKKXCTGPPINH-UHFFFAOYSA-N -1 1 369.194 2.521 20 10 FFCDMM CC1(C)C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277428098 510963411 /nfs/dbraw/zinc/96/34/11/510963411.db2.gz LQANWQAHMJAWOV-LLVKDONJSA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(NCCCc1ccccn1)NCc1cccc(Br)c1[O-] ZINC000277686681 510969516 /nfs/dbraw/zinc/96/95/16/510969516.db2.gz GJMDKJISBDSJRE-UHFFFAOYSA-N -1 1 364.243 2.982 20 10 FFCDMM O=C(NC1CCCCC1)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000295287771 511349523 /nfs/dbraw/zinc/34/95/23/511349523.db2.gz PYQYQYVSQJYSEW-UHFFFAOYSA-N -1 1 364.417 2.538 20 10 FFCDMM O=[N+]([O-])c1cc(NCCCSc2nccs2)ccc1-c1nn[n-]n1 ZINC000826498100 607636117 /nfs/dbraw/zinc/63/61/17/607636117.db2.gz HPNYDUITFFBJFV-UHFFFAOYSA-N -1 1 363.428 2.826 20 10 FFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nnn[n-]2)c(C)n1-c1ccccc1C ZINC000826305356 608013646 /nfs/dbraw/zinc/01/36/46/608013646.db2.gz TWTGRPVUBFBBGL-UHFFFAOYSA-N -1 1 361.409 2.662 20 10 FFCDMM Cc1cc(C(=O)Cn2ccnc2-c2nn[n-]n2)c(C)n1-c1ccccc1C ZINC000826305356 608013647 /nfs/dbraw/zinc/01/36/47/608013647.db2.gz TWTGRPVUBFBBGL-UHFFFAOYSA-N -1 1 361.409 2.662 20 10 FFCDMM COc1ccc(O)c([C@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826210322 608182543 /nfs/dbraw/zinc/18/25/43/608182543.db2.gz MUFAIVFNZCRCAH-LURJTMIESA-N -1 1 352.807 2.864 20 10 FFCDMM COc1ccc(O)c([C@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826210322 608182545 /nfs/dbraw/zinc/18/25/45/608182545.db2.gz MUFAIVFNZCRCAH-LURJTMIESA-N -1 1 352.807 2.864 20 10 FFCDMM Cc1ccc(-c2nn[n-]n2)nc1NCc1ccc(N2CCSCC2)cc1 ZINC000826280590 608544633 /nfs/dbraw/zinc/54/46/33/608544633.db2.gz IAKYQKMROWMAHV-UHFFFAOYSA-N -1 1 367.482 2.735 20 10 FFCDMM O=C(NCCc1ccc(O)c(O)c1)c1ccc(Br)c([O-])c1 ZINC000159822615 728913031 /nfs/dbraw/zinc/91/30/31/728913031.db2.gz AVUNKWOFLFKVIN-UHFFFAOYSA-N -1 1 352.184 2.538 20 10 FFCDMM Cc1cc(C(=O)Nc2nnn[n-]2)c(C)n1-c1cccc(Br)c1 ZINC000102895231 728493297 /nfs/dbraw/zinc/49/32/97/728493297.db2.gz TYKNMNLNHPZKEL-UHFFFAOYSA-N -1 1 361.203 2.622 20 10 FFCDMM Cc1cc(C(=O)Nc2nn[n-]n2)c(C)n1-c1cccc(Br)c1 ZINC000102895231 728493298 /nfs/dbraw/zinc/49/32/98/728493298.db2.gz TYKNMNLNHPZKEL-UHFFFAOYSA-N -1 1 361.203 2.622 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1ccc(C(F)F)o1 ZINC000866583477 731077053 /nfs/dbraw/zinc/07/70/53/731077053.db2.gz QQPSUCUZTUOKMS-UHFFFAOYSA-N -1 1 372.393 2.532 20 10 FFCDMM COC(=O)Cn1ncc(NCc2cc(Br)cc(F)c2[O-])c1C ZINC000883107592 733334941 /nfs/dbraw/zinc/33/49/41/733334941.db2.gz DBODIGFDOPRSSE-UHFFFAOYSA-N -1 1 372.194 2.584 20 10 FFCDMM O=C(CCCNC(=O)c1ccsc1)NCc1cccc(Cl)c1[O-] ZINC000890758224 734336654 /nfs/dbraw/zinc/33/66/54/734336654.db2.gz SLWNBADRDFWDDX-UHFFFAOYSA-N -1 1 352.843 2.934 20 10 FFCDMM CC(C)CNC(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890759434 734336737 /nfs/dbraw/zinc/33/67/37/734336737.db2.gz BNXPJHHZRSFZAX-AWEZNQCLSA-N -1 1 367.877 2.739 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3scnc3c2)c1 ZINC000725901713 734398230 /nfs/dbraw/zinc/39/82/30/734398230.db2.gz UKGISCJCDBZPMO-UHFFFAOYSA-N -1 1 363.420 2.626 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000893697642 734737924 /nfs/dbraw/zinc/73/79/24/734737924.db2.gz RFDMTXWZDOAIKI-AWEZNQCLSA-N -1 1 365.861 2.636 20 10 FFCDMM Cc1nn(C)c(C)c1CCCNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894006780 734785642 /nfs/dbraw/zinc/78/56/42/734785642.db2.gz YLUVMMQIHSCYRA-UHFFFAOYSA-N -1 1 350.850 2.828 20 10 FFCDMM COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000757655160 736416498 /nfs/dbraw/zinc/41/64/98/736416498.db2.gz JVNXUUIHDQWJFF-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM COCc1ccc(OC)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC000908326469 736758185 /nfs/dbraw/zinc/75/81/85/736758185.db2.gz BAJDNQJDMNILGP-UHFFFAOYSA-N -1 1 371.842 2.679 20 10 FFCDMM O=C1CCc2cc(Cl)c([N-]S(=O)(=O)c3cccc4nonc43)cc21 ZINC000761980749 736779036 /nfs/dbraw/zinc/77/90/36/736779036.db2.gz ZDIAJXZEKJFDPJ-UHFFFAOYSA-N -1 1 363.782 2.806 20 10 FFCDMM O=C(NCCc1cccc(O)c1)NCc1cccc(Br)c1[O-] ZINC000765478464 737122490 /nfs/dbraw/zinc/12/24/90/737122490.db2.gz CXZXJWMRZMJUFZ-UHFFFAOYSA-N -1 1 365.227 2.902 20 10 FFCDMM CC(=O)OCC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765737756 737151378 /nfs/dbraw/zinc/15/13/78/737151378.db2.gz ZCEJJXIRNOGJCB-UHFFFAOYSA-N -1 1 358.232 2.750 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc([N+](=O)[O-])c1 ZINC000765747020 737152962 /nfs/dbraw/zinc/15/29/62/737152962.db2.gz JUCDBOOABMDGFQ-UHFFFAOYSA-N -1 1 351.156 2.993 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1-n1ccnn1 ZINC000765764052 737155783 /nfs/dbraw/zinc/15/57/83/737155783.db2.gz GOFKESCPXDUAFC-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C(/C=C\c1ccc(O)c(O)c1)NCc1cccc(Br)c1[O-] ZINC000765766907 737156350 /nfs/dbraw/zinc/15/63/50/737156350.db2.gz DSSAIHAFTRLYRT-ALCCZGGFSA-N -1 1 364.195 2.896 20 10 FFCDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(C)c2)c1 ZINC000769862070 737574643 /nfs/dbraw/zinc/57/46/43/737574643.db2.gz GUGGMZQVOJJRRX-UHFFFAOYSA-N -1 1 353.371 2.736 20 10 FFCDMM O=S(=O)(NCC1CC1)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000922370861 738130948 /nfs/dbraw/zinc/13/09/48/738130948.db2.gz QZZXQNPSVMWRCR-UHFFFAOYSA-N -1 1 368.405 2.971 20 10 FFCDMM Cc1nc(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)[n-]c(=O)c1C ZINC000776869185 738240173 /nfs/dbraw/zinc/24/01/73/738240173.db2.gz ZSXQTNGIHOKRPR-UHFFFAOYSA-N -1 1 360.483 2.616 20 10 FFCDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1[N+](=O)[O-] ZINC000777639671 738308962 /nfs/dbraw/zinc/30/89/62/738308962.db2.gz JOWWJYVOHVXJRE-UHFFFAOYSA-N -1 1 356.331 2.557 20 10 FFCDMM CSc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1[N+](=O)[O-] ZINC000784812661 738919468 /nfs/dbraw/zinc/91/94/68/738919468.db2.gz KQPQCQRXBVKESY-UHFFFAOYSA-N -1 1 363.347 2.768 20 10 FFCDMM Cc1ccc(Br)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784889917 738923503 /nfs/dbraw/zinc/92/35/03/738923503.db2.gz RBJBQDWXMKUNSB-UHFFFAOYSA-N -1 1 366.167 2.603 20 10 FFCDMM CN(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1c(F)cccc1F ZINC000789978206 739401888 /nfs/dbraw/zinc/40/18/88/739401888.db2.gz IUDJZIQQVAWZNA-GFCCVEGCSA-N -1 1 354.328 2.548 20 10 FFCDMM COc1ccc(O)c(C[N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000805012164 740925683 /nfs/dbraw/zinc/92/56/83/740925683.db2.gz FVGVAHKHDHBYAG-UHFFFAOYSA-N -1 1 363.769 2.811 20 10 FFCDMM CCN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c1 ZINC000808103931 741187019 /nfs/dbraw/zinc/18/70/19/741187019.db2.gz FFDVXMRGWCFFIA-UHFFFAOYSA-N -1 1 368.842 2.938 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@]3(CCS(=O)(=O)C3)C2)c1[O-] ZINC000831914921 745605079 /nfs/dbraw/zinc/60/50/79/745605079.db2.gz BILUKVMCHHVYRW-QGZVFWFLSA-N -1 1 371.886 2.649 20 10 FFCDMM COc1c([O-])c(C[N@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000840997729 747252931 /nfs/dbraw/zinc/25/29/31/747252931.db2.gz HXUYOTRDDCLSEE-JKOKRWQUSA-N -1 1 350.371 2.527 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000840997729 747252932 /nfs/dbraw/zinc/25/29/32/747252932.db2.gz HXUYOTRDDCLSEE-JKOKRWQUSA-N -1 1 350.371 2.527 20 10 FFCDMM C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H]1C(=O)OC(C)(C)C ZINC000844146894 747978378 /nfs/dbraw/zinc/97/83/78/747978378.db2.gz LGEVHEITLCWYBC-WDEREUQCSA-N -1 1 353.390 2.677 20 10 FFCDMM CSc1nc(C)c(CCC(=O)NCc2cc(Cl)ccc2O)c(=O)[n-]1 ZINC000846479551 748489537 /nfs/dbraw/zinc/48/95/37/748489537.db2.gz MUBBUQSDONNDGK-UHFFFAOYSA-N -1 1 367.858 2.821 20 10 FFCDMM CCc1nc(S(=O)(=O)[N-]c2ccc(O)c(F)c2F)cn1CC1CC1 ZINC000853032422 749990018 /nfs/dbraw/zinc/99/00/18/749990018.db2.gz RUERCJSRDOOKII-UHFFFAOYSA-N -1 1 357.382 2.640 20 10 FFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc(Br)ccc1N ZINC001174562739 1013259270 /nfs/dbraw/zinc/25/92/70/1013259270.db2.gz QOADIIRZAPARIN-UHFFFAOYSA-N -1 1 357.229 2.846 20 10 FFCDMM CC(C)(C)C(=O)CN1C(=O)CC[C@@H]2[C@H]1CC[N@H+]2Cc1c(O)cccc1F ZINC001276032552 1013299183 /nfs/dbraw/zinc/29/91/83/1013299183.db2.gz XLXVKCXYCHTMOQ-HZPDHXFCSA-N -1 1 362.445 2.712 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1Cl ZINC001594325538 970206905 /nfs/dbraw/zinc/20/69/05/970206905.db2.gz ZIGZFFNRNBQAEY-GXTWGEPZSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)cc1Cl ZINC001594325538 970206915 /nfs/dbraw/zinc/20/69/15/970206915.db2.gz ZIGZFFNRNBQAEY-GXTWGEPZSA-N -1 1 363.845 2.778 20 10 FFCDMM CCN(CC)C(=O)CCC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000828202092 975836641 /nfs/dbraw/zinc/83/66/41/975836641.db2.gz VSRCMVAHZUJEDD-UHFFFAOYSA-N -1 1 366.433 2.738 20 10 FFCDMM O=C(c1ccc(O)cc1)C1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000824058470 996781819 /nfs/dbraw/zinc/78/18/19/996781819.db2.gz NMFWJNFPGYHSDD-UHFFFAOYSA-N -1 1 359.353 2.678 20 10 FFCDMM C[N@H+](CCc1cnccn1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000770661949 1000869759 /nfs/dbraw/zinc/86/97/59/1000869759.db2.gz NQGYCKTXEKGDQR-UHFFFAOYSA-N -1 1 363.417 2.793 20 10 FFCDMM C[N@@H+](CCc1cnccn1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000770661949 1000869764 /nfs/dbraw/zinc/86/97/64/1000869764.db2.gz NQGYCKTXEKGDQR-UHFFFAOYSA-N -1 1 363.417 2.793 20 10 FFCDMM COc1ccc2c(c1)c1c(n2CC(=O)Nc2ccncc2[O-])CCCC1 ZINC001182627175 1001974286 /nfs/dbraw/zinc/97/42/86/1001974286.db2.gz OFJXQYDITYVCAM-UHFFFAOYSA-N -1 1 351.406 2.690 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC000789976012 1002243724 /nfs/dbraw/zinc/24/37/24/1002243724.db2.gz GGZBALFLIACZAL-KRWDZBQOSA-N -1 1 363.360 2.962 20 10 FFCDMM COC(=O)c1cc2c(cncc2NCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001170315389 1003106309 /nfs/dbraw/zinc/10/63/09/1003106309.db2.gz WVZLZGQTBUBIOC-UHFFFAOYSA-N -1 1 358.375 2.789 20 10 FFCDMM O=C(CNc1cccn(Cc2ccccc2)c1=O)c1ccc([O-])c(O)c1 ZINC001170320740 1003108790 /nfs/dbraw/zinc/10/87/90/1003108790.db2.gz LQCILGBXQXRRCS-UHFFFAOYSA-N -1 1 350.374 2.603 20 10 FFCDMM CCN(CC)c1ccc(CN(C)C(=O)N=c2ccnc3n(C)[n-]cc2-3)cc1 ZINC000806493320 1004332110 /nfs/dbraw/zinc/33/21/10/1004332110.db2.gz WSWNXBYKUVIBMX-UHFFFAOYSA-N -1 1 366.469 2.852 20 10 FFCDMM CN(C(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O)C(C)(C)C ZINC001152603733 1032202120 /nfs/dbraw/zinc/20/21/20/1032202120.db2.gz MYTGAPWGUHXGMW-UHFFFAOYSA-N -1 1 353.374 2.744 20 10 FFCDMM O=C(c1cc(=O)c2cccc(O)c2[n-]1)N1CCCc2cc(O)c(O)cc2C1 ZINC001152679256 1032214574 /nfs/dbraw/zinc/21/45/74/1032214574.db2.gz LAMVDNXTZDILPI-UHFFFAOYSA-N -1 1 366.373 2.646 20 10 FFCDMM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000775405807 1007751993 /nfs/dbraw/zinc/75/19/93/1007751993.db2.gz VGKGZNBRDAHDGI-LBPRGKRZSA-N -1 1 367.453 2.538 20 10 FFCDMM O=C(CNC(=O)c1nc(-c2ccccc2)cs1)c1ccc([O-])c(O)c1 ZINC001191049376 1007888385 /nfs/dbraw/zinc/88/83/85/1007888385.db2.gz DPXIAEVETYQBIE-UHFFFAOYSA-N -1 1 354.387 2.834 20 10 FFCDMM CCC[C@@H](NC(=O)c1cccc(-n2c(C)cc(C=O)c2C)c1)c1nn[n-]n1 ZINC000859945880 1008737268 /nfs/dbraw/zinc/73/72/68/1008737268.db2.gz UMBOXUARFHZULT-QGZVFWFLSA-N -1 1 366.425 2.691 20 10 FFCDMM COc1c([O-])c(CN2CCc3nc(C(C)(C)C)ncc3C2)ccc1[N+](=O)[O-] ZINC000862441623 1009846115 /nfs/dbraw/zinc/84/61/15/1009846115.db2.gz WVHOVSRLYITOEN-UHFFFAOYSA-N -1 1 372.425 2.955 20 10 FFCDMM [O-]c1c(CN(CCN2CCOCC2)Cc2ccco2)ccc(F)c1F ZINC001182370524 1010540084 /nfs/dbraw/zinc/54/00/84/1010540084.db2.gz VPYUYNRTUVLYCL-UHFFFAOYSA-N -1 1 352.381 2.598 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CCNCC1(F)F)C(=O)c1ccccc1C2=O ZINC001218008756 1032949239 /nfs/dbraw/zinc/94/92/39/1032949239.db2.gz BBNQNDDCUWOCAK-HNNXBMFYSA-N -1 1 373.355 2.852 20 10 FFCDMM Cc1cccc(C)c1NC(=O)CN1CCN(Cc2c([O-])cccc2F)CC1 ZINC001137837601 1033179554 /nfs/dbraw/zinc/17/95/54/1033179554.db2.gz NFVLQLNGIHUHJY-UHFFFAOYSA-N -1 1 371.456 2.904 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@](O)(C(F)F)C2)c1[O-] ZINC000840119823 1026964677 /nfs/dbraw/zinc/96/46/77/1026964677.db2.gz ULLSUISRCLMWAC-IBGZPJMESA-N -1 1 363.360 2.531 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@](O)(C(F)F)C2)c1[O-] ZINC000840119823 1026964679 /nfs/dbraw/zinc/96/46/79/1026964679.db2.gz ULLSUISRCLMWAC-IBGZPJMESA-N -1 1 363.360 2.531 20 10 FFCDMM O=C(CNC(F)(F)c1cnc(Cl)c([N+](=O)[O-])c1)c1ccc([O-])c(O)c1 ZINC001159271999 1027330200 /nfs/dbraw/zinc/33/02/00/1027330200.db2.gz IHPVKRYLLIPSFW-UHFFFAOYSA-N -1 1 373.699 2.576 20 10 FFCDMM CN(CCc1ccc(F)cc1)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155224102 1028632110 /nfs/dbraw/zinc/63/21/10/1028632110.db2.gz AMOPYSYBCSMGNS-UHFFFAOYSA-N -1 1 357.337 2.658 20 10 FFCDMM O=C(NCc1cccc2ncccc12)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232679 1028637926 /nfs/dbraw/zinc/63/79/26/1028637926.db2.gz URPRMVRMBHUPEC-UHFFFAOYSA-N -1 1 362.341 2.682 20 10 FFCDMM Cc1ccc(CNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c(F)c1F ZINC001155233766 1028639805 /nfs/dbraw/zinc/63/98/05/1028639805.db2.gz FDTUYBRBMCOZFZ-UHFFFAOYSA-N -1 1 361.300 2.721 20 10 FFCDMM C[C@@H]1C[C@H]1C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782784140 1029819291 /nfs/dbraw/zinc/81/92/91/1029819291.db2.gz SHHXLXQSKOELIL-IAQYHMDHSA-N -1 1 369.373 2.732 20 10 FFCDMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1=O ZINC000840998083 1029967361 /nfs/dbraw/zinc/96/73/61/1029967361.db2.gz DGBHNNRNBKITQL-NVXWUHKLSA-N -1 1 374.824 2.562 20 10 FFCDMM CC1(C)Cc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c(O)c2O1 ZINC000783400490 1030080039 /nfs/dbraw/zinc/08/00/39/1030080039.db2.gz HOCXQXLDSCPPSU-UHFFFAOYSA-N -1 1 358.346 2.557 20 10 FFCDMM COc1ccc(OC)c([C@H]2C[C@@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784894624 1030869851 /nfs/dbraw/zinc/86/98/51/1030869851.db2.gz IAGSZJYVFTZPEV-HIFRSBDPSA-N -1 1 372.373 2.645 20 10 FFCDMM CCN1CCN(c2ccc(CNc3ncccc3C(=O)[O-])cc2F)CC1 ZINC000843034514 1031147601 /nfs/dbraw/zinc/14/76/01/1031147601.db2.gz MMPFASKSPALCTP-UHFFFAOYSA-N -1 1 358.417 2.673 20 10 FFCDMM O=C(Nc1cccnc1)c1noc2c1CN(Cc1cccc(F)c1[O-])CC2 ZINC001138126915 1033808048 /nfs/dbraw/zinc/80/80/48/1033808048.db2.gz MPVUQQIVFHHPJC-UHFFFAOYSA-N -1 1 368.368 2.725 20 10 FFCDMM O=C(c1ccco1)N1CCC[C@]2(CN(Cc3cccc(F)c3[O-])CCO2)C1 ZINC001138126908 1033808462 /nfs/dbraw/zinc/80/84/62/1033808462.db2.gz MKXRFVFSQLGMAI-FQEVSTJZSA-N -1 1 374.412 2.632 20 10 FFCDMM Cc1ccc(C2=NO[C@H](CNC(=O)c3c(F)ccc(O)c3[O-])C2)cc1C ZINC000831365119 1034054089 /nfs/dbraw/zinc/05/40/89/1034054089.db2.gz UMKXBCUAYMXTIH-ZDUSSCGKSA-N -1 1 358.369 2.777 20 10 FFCDMM COc1ccccc1O[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000831920577 1034407710 /nfs/dbraw/zinc/40/77/10/1034407710.db2.gz NZKHCTGDTKVCLV-LBPRGKRZSA-N -1 1 361.369 2.929 20 10 FFCDMM CN1C(=O)N[C@](C)(c2ccc(NCc3cc(F)cc(F)c3[O-])cc2)C1=O ZINC001202970053 1035228664 /nfs/dbraw/zinc/22/86/64/1035228664.db2.gz DCLLPLLSTWODHE-GOSISDBHSA-N -1 1 361.348 2.679 20 10 FFCDMM CCOC(=O)[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)C1CC1 ZINC001228111580 1035939748 /nfs/dbraw/zinc/93/97/48/1035939748.db2.gz VXHDFOLRRXFMKO-GOSISDBHSA-N -1 1 372.373 2.755 20 10 FFCDMM COC(C[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)OC ZINC001228111555 1035940121 /nfs/dbraw/zinc/94/01/21/1035940121.db2.gz VPWQMFMZYQNACX-NSHDSACASA-N -1 1 362.378 2.811 20 10 FFCDMM CN1CC2(CC1=O)CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001233029762 1036265867 /nfs/dbraw/zinc/26/58/67/1036265867.db2.gz IGEHVVYCCYJDQM-UHFFFAOYSA-N -1 1 371.250 2.738 20 10 FFCDMM COC(=O)[C@@H]1CN(Cc2c([O-])cc(Br)cc2F)CC12CC2 ZINC001233032521 1036272323 /nfs/dbraw/zinc/27/23/23/1036272323.db2.gz HRHBSPXMTXQAKT-NSHDSACASA-N -1 1 358.207 2.679 20 10 FFCDMM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2ccc(F)c(F)c2[O-])C1 ZINC001233078374 1036327132 /nfs/dbraw/zinc/32/71/32/1036327132.db2.gz SZYRKDCFERVEDB-ZDUSSCGKSA-N -1 1 356.413 2.566 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1Cc2cncn2C[C@@H](COCC2CC2)C1 ZINC001233333245 1036538976 /nfs/dbraw/zinc/53/89/76/1036538976.db2.gz OTUDBDYTGFLMQK-AWEZNQCLSA-N -1 1 363.408 2.926 20 10 FFCDMM CCCOC(=O)[C@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197458 1036547035 /nfs/dbraw/zinc/54/70/35/1036547035.db2.gz PCRNCBNOFVAWIK-JTQLQIEISA-N -1 1 370.357 2.594 20 10 FFCDMM CCOCCN1CC[C@]2(CCCN2Cc2cc(Cl)cc(F)c2[O-])C1=O ZINC001277388417 1036680512 /nfs/dbraw/zinc/68/05/12/1036680512.db2.gz XJCGKJXZKYXDBM-GOSISDBHSA-N -1 1 370.852 2.788 20 10 FFCDMM COCC(COC)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229829283 1036922988 /nfs/dbraw/zinc/92/29/88/1036922988.db2.gz PYKHSHRFQZMMPU-UHFFFAOYSA-N -1 1 356.374 2.516 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CCOC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001229828731 1036923267 /nfs/dbraw/zinc/92/32/67/1036923267.db2.gz FBXFYNJXQSKCAH-ZBFHGGJFSA-N -1 1 356.349 2.982 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CN3CCC1CC3)C(=O)c1ccccc1C2=O ZINC001229829351 1036923430 /nfs/dbraw/zinc/92/34/30/1036923430.db2.gz RFHSERJMNZKKLC-GOSISDBHSA-N -1 1 363.413 2.949 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21 ZINC001234477661 1037054046 /nfs/dbraw/zinc/05/40/46/1037054046.db2.gz VJEQMWIGPOLABL-DETPVDSQSA-N -1 1 363.410 2.935 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@H](n2ccnn2)C1 ZINC001235309832 1037466026 /nfs/dbraw/zinc/46/60/26/1037466026.db2.gz XRQDUOXZYYRRBM-LBPRGKRZSA-N -1 1 355.211 2.722 20 10 FFCDMM CCOC(=O)c1ncn2c1CN(Cc1c([O-])ccc(F)c1Cl)CCC2 ZINC001237121398 1038449471 /nfs/dbraw/zinc/44/94/71/1038449471.db2.gz MGZMCNLQFZABHJ-UHFFFAOYSA-N -1 1 367.808 2.964 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2onc(Cn3cccn3)c2C1 ZINC001237125999 1038451907 /nfs/dbraw/zinc/45/19/07/1038451907.db2.gz YCOVCKVDCMMIFM-UHFFFAOYSA-N -1 1 362.792 2.976 20 10 FFCDMM COc1ccc(CN2C[C@@H](F)C[C@H]2C)c([O-])c1I ZINC001248481863 1040297914 /nfs/dbraw/zinc/29/79/14/1040297914.db2.gz INCYZIOUBVGEQN-SCZZXKLOSA-N -1 1 365.186 2.938 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)c(OC)c1 ZINC001260441664 1040592915 /nfs/dbraw/zinc/59/29/15/1040592915.db2.gz VMAMFBMARZLJIZ-UHFFFAOYSA-N -1 1 369.786 2.694 20 10 FFCDMM O=c1ccc2cc(S(=O)(=O)Nc3c(F)cc([O-])cc3F)ccc2o1 ZINC001260453286 1040602713 /nfs/dbraw/zinc/60/27/13/1040602713.db2.gz XLJLQXGHGXEVOV-UHFFFAOYSA-N -1 1 353.302 2.578 20 10 FFCDMM [O-]c1c(I)cccc1CN1C[C@@H](F)C[C@H]1CF ZINC001237778008 1043350587 /nfs/dbraw/zinc/35/05/87/1043350587.db2.gz RCWLTNHBPBIWBP-UWVGGRQHSA-N -1 1 353.150 2.879 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2c(nnc2C(F)(F)F)C1 ZINC001237935068 1043442226 /nfs/dbraw/zinc/44/22/26/1043442226.db2.gz PSQWRRWHSROVPF-UHFFFAOYSA-N -1 1 350.703 2.811 20 10 FFCDMM CCn1nnc2c1[C@@H](COC)CN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237938542 1043443940 /nfs/dbraw/zinc/44/39/40/1043443940.db2.gz KCFDFJNLYIRGLE-LLVKDONJSA-N -1 1 354.813 2.542 20 10 FFCDMM O=S(=O)(C[C@@H]1CC[C@@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC001309940718 1043600082 /nfs/dbraw/zinc/60/00/82/1043600082.db2.gz LTFNXQGDKDJQHT-ONGXEEELSA-N -1 1 373.780 2.575 20 10 FFCDMM COC(=O)COc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001309976704 1043618547 /nfs/dbraw/zinc/61/85/47/1043618547.db2.gz FCIGKEVPYHZJEK-UHFFFAOYSA-N -1 1 364.785 2.919 20 10 FFCDMM O=C(NCCOc1ccc2c(c1)OCO2)NCc1cccc(Cl)c1[O-] ZINC001311523203 1043928567 /nfs/dbraw/zinc/92/85/67/1043928567.db2.gz QUNFHRCGKCVTOJ-UHFFFAOYSA-N -1 1 364.785 2.653 20 10 FFCDMM COc1c([O-])c(CN2CCc3ccc([N+](=O)[O-])cc3C2)ccc1[N+](=O)[O-] ZINC001324759213 1046210195 /nfs/dbraw/zinc/21/01/95/1046210195.db2.gz FWLVAXRTPDKJPR-UHFFFAOYSA-N -1 1 359.338 2.776 20 10 FFCDMM CCCCn1ncc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC001354792345 1059495912 /nfs/dbraw/zinc/49/59/12/1059495912.db2.gz ADFOKSPPEQGMKM-UHFFFAOYSA-N -1 1 364.833 2.606 20 10 FFCDMM COc1ccccc1-c1noc([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC001457680210 1060422450 /nfs/dbraw/zinc/42/24/50/1060422450.db2.gz KAAUWCVSHQUSTP-VIFPVBQESA-N -1 1 373.340 2.787 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])c1noc(Cc2ccccc2)n1 ZINC001457681691 1060424290 /nfs/dbraw/zinc/42/42/90/1060424290.db2.gz FJFIPFPKLHXLTN-SNVBAGLBSA-N -1 1 357.341 2.702 20 10 FFCDMM COc1ncc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1Cl ZINC001475774916 1061265958 /nfs/dbraw/zinc/26/59/58/1061265958.db2.gz VARHTGKWPXHGEU-UHFFFAOYSA-N -1 1 363.222 2.581 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCn2c(Cc3ccccc3)nnc2C1 ZINC001461937714 1061456675 /nfs/dbraw/zinc/45/66/75/1061456675.db2.gz TUJJKYCHLNHOFP-UHFFFAOYSA-N -1 1 356.376 2.869 20 10 FFCDMM CS(=O)(=O)Nc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001465711433 1063187394 /nfs/dbraw/zinc/18/73/94/1063187394.db2.gz NQJZOGBQSGBZEK-UHFFFAOYSA-N -1 1 369.830 2.739 20 10 FFCDMM COc1cc(CCNC(=O)NCc2cccc(Cl)c2[O-])ccc1O ZINC001468895398 1064055603 /nfs/dbraw/zinc/05/56/03/1064055603.db2.gz SIUKCFSDKXRFCQ-UHFFFAOYSA-N -1 1 350.802 2.802 20 10 FFCDMM Cc1cc(CNC(=O)c2ccc(-c3nnn[n-]3)nc2)c(C)n1-c1ccccc1 ZINC001580925839 1078892588 /nfs/dbraw/zinc/89/25/88/1078892588.db2.gz SCOARVDCDKEFCQ-UHFFFAOYSA-N -1 1 373.420 2.599 20 10 FFCDMM Cc1cc(CNC(=O)c2ccc(-c3nn[n-]n3)nc2)c(C)n1-c1ccccc1 ZINC001580925839 1078892592 /nfs/dbraw/zinc/89/25/92/1078892592.db2.gz SCOARVDCDKEFCQ-UHFFFAOYSA-N -1 1 373.420 2.599 20 10 FFCDMM Cn1nccc1[C@H](NCc1ccc(Cl)cc1[O-])C(=O)OC(C)(C)C ZINC001560914367 1076308741 /nfs/dbraw/zinc/30/87/41/1076308741.db2.gz IQJIADZUYGSLQU-HNNXBMFYSA-N -1 1 351.834 2.952 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC001564467744 1076635618 /nfs/dbraw/zinc/63/56/18/1076635618.db2.gz XCRUNGZAQTYDLA-ZDUSSCGKSA-N -1 1 365.861 2.778 20 10 FFCDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1 ZINC001589270894 1080456781 /nfs/dbraw/zinc/45/67/81/1080456781.db2.gz YXYHIOOZZCPPTB-UHFFFAOYSA-N -1 1 369.782 2.747 20 10 FFCDMM C[C@H](Nc1cccc(N2CCOCC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589985210 1080922998 /nfs/dbraw/zinc/92/29/98/1080922998.db2.gz FCZAOXLNZADJGW-ZDUSSCGKSA-N -1 1 366.425 2.582 20 10 FFCDMM O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001601660119 1126224540 /nfs/dbraw/zinc/22/45/40/1126224540.db2.gz OJQAQLNHBWOJNT-AWEZNQCLSA-N -1 1 350.212 2.940 20 10 FFCDMM O=C(CCc1cnccn1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373538548 512384799 /nfs/dbraw/zinc/38/47/99/512384799.db2.gz OJFBRCRYSKZWPK-KRWDZBQOSA-N -1 1 374.872 2.549 20 10 FFCDMM CCS(=O)(=O)C1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000193242177 509834043 /nfs/dbraw/zinc/83/40/43/509834043.db2.gz JITPQMAILIDOCP-UHFFFAOYSA-N -1 1 359.875 2.647 20 10 FFCDMM Cc1nnc([C@@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277293149 510961048 /nfs/dbraw/zinc/96/10/48/510961048.db2.gz BNVWSAPZYBLXLH-SSDOTTSWSA-N -1 1 371.260 2.875 20 10 FFCDMM CCN(Cc1ccc(C(=O)N(C)C)cc1)C(=O)c1c([O-])c(O)ccc1F ZINC000295241852 511333953 /nfs/dbraw/zinc/33/39/53/511333953.db2.gz LQZRNTCNEPAWGB-UHFFFAOYSA-N -1 1 360.385 2.601 20 10 FFCDMM CCn1nc(C)c(CC(=O)NCc2cccc(Br)c2[O-])c1C ZINC000295501601 511427433 /nfs/dbraw/zinc/42/74/33/511427433.db2.gz YJYYVZLCOLDMQQ-UHFFFAOYSA-N -1 1 366.259 2.847 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(N2CCCNC2=O)cc1 ZINC000295947643 511565584 /nfs/dbraw/zinc/56/55/84/511565584.db2.gz GXPUMMUPCAPSFA-NSHDSACASA-N -1 1 373.384 2.648 20 10 FFCDMM COC(=O)c1cn([C@H]2CCN(Cc3cc(Cl)cc(Cl)c3[O-])C2)nn1 ZINC000363905690 511842053 /nfs/dbraw/zinc/84/20/53/511842053.db2.gz DZVRESMLKWTRIA-NSHDSACASA-N -1 1 371.224 2.524 20 10 FFCDMM C[C@@]1(Br)C[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529169018 516977854 /nfs/dbraw/zinc/97/78/54/516977854.db2.gz HHRSPNPONAYVNW-QPUJVOFHSA-N -1 1 363.049 2.944 20 10 FFCDMM Cc1cc(Br)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)c1O ZINC000529679830 517281148 /nfs/dbraw/zinc/28/11/48/517281148.db2.gz QAZQVVDJNDEVEW-CKNLXJGOSA-N -1 1 358.301 2.949 20 10 FFCDMM Cc1cc(CCNc2nccnc2-c2nnn[n-]2)c(C)n1-c1ccccc1 ZINC000737263955 598339848 /nfs/dbraw/zinc/33/98/48/598339848.db2.gz YFWZQCRCNJFEIH-UHFFFAOYSA-N -1 1 360.425 2.719 20 10 FFCDMM Cc1cc(CCNc2nccnc2-c2nn[n-]n2)c(C)n1-c1ccccc1 ZINC000737263955 598339850 /nfs/dbraw/zinc/33/98/50/598339850.db2.gz YFWZQCRCNJFEIH-UHFFFAOYSA-N -1 1 360.425 2.719 20 10 FFCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(-c3nnn[n-]3)nn2)CC1 ZINC000826233432 608435943 /nfs/dbraw/zinc/43/59/43/608435943.db2.gz HCRONTLXHWOVCN-UHFFFAOYSA-N -1 1 358.409 2.740 20 10 FFCDMM Cc1[nH]c2ccccc2c1C1=CCN(c2ccc(-c3nn[n-]n3)nn2)CC1 ZINC000826233432 608435944 /nfs/dbraw/zinc/43/59/44/608435944.db2.gz HCRONTLXHWOVCN-UHFFFAOYSA-N -1 1 358.409 2.740 20 10 FFCDMM Cc1cc(S(=O)(=O)[N-]c2ccc(NS(C)(=O)=O)cc2)c(C)s1 ZINC000023398224 727845587 /nfs/dbraw/zinc/84/55/87/727845587.db2.gz WIGVSZLAGUNKSV-UHFFFAOYSA-N -1 1 360.482 2.537 20 10 FFCDMM Cc1cc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)ccc1F ZINC000041374257 727939898 /nfs/dbraw/zinc/93/98/98/727939898.db2.gz SADUXPRNTISKLZ-UHFFFAOYSA-N -1 1 350.415 2.772 20 10 FFCDMM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(OC)cc2F)c1 ZINC000751317937 735863803 /nfs/dbraw/zinc/86/38/03/735863803.db2.gz ISPDIDHJHZESNP-SECBINFHSA-N -1 1 373.377 2.727 20 10 FFCDMM Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000325307136 729758583 /nfs/dbraw/zinc/75/85/83/729758583.db2.gz OXMGIOQGHFGAMR-UHFFFAOYSA-N -1 1 354.315 2.572 20 10 FFCDMM O=C(CCOc1ccc(Cl)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782942145 738766369 /nfs/dbraw/zinc/76/63/69/738766369.db2.gz MEUQYDSSBQDCIX-UHFFFAOYSA-N -1 1 350.754 2.946 20 10 FFCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1sccc1Br ZINC000783025543 738773910 /nfs/dbraw/zinc/77/39/10/738773910.db2.gz CNPRJFZPRFXZFL-UHFFFAOYSA-N -1 1 357.181 2.962 20 10 FFCDMM CN(CC(=O)N1CCCC1)Cc1cc(Cl)cc(Br)c1[O-] ZINC000708213198 734362924 /nfs/dbraw/zinc/36/29/24/734362924.db2.gz YSZYKIQZTQBTSG-UHFFFAOYSA-N -1 1 361.667 2.862 20 10 FFCDMM O=C(NCCn1ccc(C(F)(F)F)n1)NCc1cccc(Cl)c1[O-] ZINC000896292151 735133827 /nfs/dbraw/zinc/13/38/27/735133827.db2.gz DJCPPJFXZSZOFO-UHFFFAOYSA-N -1 1 362.739 2.760 20 10 FFCDMM CO[C@H](CS(=O)(=O)NCc1cccc(Cl)c1[O-])c1ccccc1 ZINC000908326328 736757763 /nfs/dbraw/zinc/75/77/63/736757763.db2.gz AEPIXYPMYVTJSE-OAHLLOKOSA-N -1 1 355.843 2.853 20 10 FFCDMM Cc1nn(C)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1C(F)F ZINC000908329631 736759242 /nfs/dbraw/zinc/75/92/42/736759242.db2.gz UBQKJUMHZLQXAV-UHFFFAOYSA-N -1 1 365.789 2.504 20 10 FFCDMM Cc1ccc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)cc1C(=O)[O-] ZINC000762000942 736781161 /nfs/dbraw/zinc/78/11/61/736781161.db2.gz RQCAYAHHJUCOIB-UHFFFAOYSA-N -1 1 365.407 2.987 20 10 FFCDMM O=C(NCc1ccc(O)c(F)c1)NCc1cccc(Br)c1[O-] ZINC000765509671 737126362 /nfs/dbraw/zinc/12/63/62/737126362.db2.gz HEKYRZXFJUFWMV-UHFFFAOYSA-N -1 1 369.190 2.999 20 10 FFCDMM COC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1ccco1 ZINC000765527375 737130022 /nfs/dbraw/zinc/13/00/22/737130022.db2.gz LKSJHJYHCQRYKZ-GFCCVEGCSA-N -1 1 369.215 2.935 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1csc2cncn21 ZINC000765755154 737154262 /nfs/dbraw/zinc/15/42/62/737154262.db2.gz GWVQOHORHKFFLW-UHFFFAOYSA-N -1 1 352.213 2.794 20 10 FFCDMM [O-]c1c(Br)cccc1CNC(=S)NCCc1cccnc1 ZINC000765976858 737179318 /nfs/dbraw/zinc/17/93/18/737179318.db2.gz OBSZXTZMRCUJDU-UHFFFAOYSA-N -1 1 366.284 2.757 20 10 FFCDMM Cc1ccccc1S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766202314 737207039 /nfs/dbraw/zinc/20/70/39/737207039.db2.gz ZVSDXONJAVJMQW-UHFFFAOYSA-N -1 1 356.241 2.942 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2cc(Cl)ccc2F)C(=O)[N-]C1=S ZINC000920980226 737937769 /nfs/dbraw/zinc/93/77/69/737937769.db2.gz DOAZLZQQCATGFA-UXBLZVDNSA-N -1 1 355.822 2.674 20 10 FFCDMM Cc1cc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2F)c(C)c(C)c1O ZINC000775292218 738080054 /nfs/dbraw/zinc/08/00/54/738080054.db2.gz WEIGHFFBZSGRAW-UHFFFAOYSA-N -1 1 353.371 2.956 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)ccc1Cl ZINC000776747492 738228961 /nfs/dbraw/zinc/22/89/61/738228961.db2.gz FFPBUIIXRBAMGZ-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM O=C(NCCc1cc(Cl)c2c(c1)OCCO2)c1c(F)ccc(O)c1[O-] ZINC000789950091 739399105 /nfs/dbraw/zinc/39/91/05/739399105.db2.gz MKLFAUMHFCTPEY-UHFFFAOYSA-N -1 1 367.760 2.634 20 10 FFCDMM CN(C)[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])c1c(F)cccc1F ZINC000789978207 739402097 /nfs/dbraw/zinc/40/20/97/739402097.db2.gz IUDJZIQQVAWZNA-LBPRGKRZSA-N -1 1 354.328 2.548 20 10 FFCDMM C[C@@H]1OCC[C@]12C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932277 739515563 /nfs/dbraw/zinc/51/55/63/739515563.db2.gz NFIJIWYVKZLOJY-WQGACYEGSA-N -1 1 356.260 2.923 20 10 FFCDMM CS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1Cl ZINC000795289086 739997480 /nfs/dbraw/zinc/99/74/80/739997480.db2.gz DFCHCLSGFGPSLD-UHFFFAOYSA-N -1 1 366.873 2.574 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2ccc(OC(F)F)c(F)c2)ccc1O ZINC000797820012 740276060 /nfs/dbraw/zinc/27/60/60/740276060.db2.gz BJSQADTXRFENJK-UHFFFAOYSA-N -1 1 363.313 2.942 20 10 FFCDMM O=C(CSc1nncn1CCc1cccs1)c1ccc([O-])c(O)c1 ZINC000809303166 741298727 /nfs/dbraw/zinc/29/87/27/741298727.db2.gz QPGNUSNLCUDNGZ-UHFFFAOYSA-N -1 1 361.448 2.969 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](OC(=O)N(C)C)C2)c1[O-] ZINC000830579096 745387296 /nfs/dbraw/zinc/38/72/96/745387296.db2.gz TZMQESQVBLHOFQ-CQSZACIVSA-N -1 1 354.834 2.911 20 10 FFCDMM CN(C)c1cccc([N-]S(=O)(=O)c2cc(Br)ccc2N)c1 ZINC000161058466 845688893 /nfs/dbraw/zinc/68/88/93/845688893.db2.gz XOJPVBXJGSILJT-UHFFFAOYSA-N -1 1 370.272 2.898 20 10 FFCDMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1C ZINC000391861136 845849307 /nfs/dbraw/zinc/84/93/07/845849307.db2.gz OCFXROGPTPCDFW-UHFFFAOYSA-N -1 1 352.412 2.623 20 10 FFCDMM COc1cc(OC2CC2)ccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784931681 959301561 /nfs/dbraw/zinc/30/15/61/959301561.db2.gz RABMNKUBEUFDBQ-UHFFFAOYSA-N -1 1 358.346 2.687 20 10 FFCDMM COCCCN1C[C@@]2(CC1=O)CCCCN2Cc1c(F)ccc(F)c1[O-] ZINC001275956707 1013228057 /nfs/dbraw/zinc/22/80/57/1013228057.db2.gz LAXWILZEHWFVKQ-IBGZPJMESA-N -1 1 368.424 2.664 20 10 FFCDMM C[C@@H]1CCCN(c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)ccn2)C1 ZINC000812652888 995497360 /nfs/dbraw/zinc/49/73/60/995497360.db2.gz KFHCIHNFTNTBFV-CYBMUJFWSA-N -1 1 370.405 2.769 20 10 FFCDMM O=C(NC1CCN(Cc2cc(Br)c(F)cc2[O-])CC1)C1CC1 ZINC001144299624 998287182 /nfs/dbraw/zinc/28/71/82/998287182.db2.gz CRPYPGKHVROXRF-UHFFFAOYSA-N -1 1 371.250 2.784 20 10 FFCDMM COc1ccc(CN[C@H](C(=O)[O-])c2ccccc2F)cc1Cn1cccn1 ZINC001599571359 998370442 /nfs/dbraw/zinc/37/04/42/998370442.db2.gz QWVNBVIITWEORE-IBGZPJMESA-N -1 1 369.396 2.995 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]1/C=C\c1ccccc1)cc2=O ZINC000846257257 1000247573 /nfs/dbraw/zinc/24/75/73/1000247573.db2.gz NYMOROYEYIPNLP-QWGSZXSUSA-N -1 1 364.405 2.811 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(N2CCCC2)cc1)c1ccc(Cl)nc1F ZINC001185252279 1002886586 /nfs/dbraw/zinc/88/65/86/1002886586.db2.gz QMGCYFUMPGTKAR-UHFFFAOYSA-N -1 1 369.849 2.953 20 10 FFCDMM COC(OC)c1cc(Cl)cnc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170317124 1003106277 /nfs/dbraw/zinc/10/62/77/1003106277.db2.gz ZSNQMILLZBOYSM-UHFFFAOYSA-N -1 1 352.774 2.732 20 10 FFCDMM CN1CCN(C(=O)Cc2cccc(NCc3cccc(Cl)c3[O-])c2)CC1 ZINC000775757540 1004054981 /nfs/dbraw/zinc/05/49/81/1004054981.db2.gz IIKMPCVBSYZHRG-UHFFFAOYSA-N -1 1 373.884 2.974 20 10 FFCDMM O=C(CNC(=O)c1ccc(OC2CCCCC2)nc1)c1ccc([O-])c(O)c1 ZINC001192099438 1004064404 /nfs/dbraw/zinc/06/44/04/1004064404.db2.gz GVWVXSJKMRELEH-UHFFFAOYSA-N -1 1 370.405 2.817 20 10 FFCDMM Cc1cnn(C2CCOCC2)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193220794 1004407413 /nfs/dbraw/zinc/40/74/13/1004407413.db2.gz XJJWGSFNBWYIOU-UHFFFAOYSA-N -1 1 351.790 2.860 20 10 FFCDMM CC(C)CC(=O)NC1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1 ZINC001193225673 1004428829 /nfs/dbraw/zinc/42/88/29/1004428829.db2.gz QPWLBFKWOODWID-UHFFFAOYSA-N -1 1 354.834 2.518 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@H](COc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775116780 1006052989 /nfs/dbraw/zinc/05/29/89/1006052989.db2.gz XABLDIDFIHJQMG-INIZCTEOSA-N -1 1 374.393 2.589 20 10 FFCDMM C[C@]12COC[C@@H]1C[N@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567099 1006448636 /nfs/dbraw/zinc/44/86/36/1006448636.db2.gz SXOGSLAEULALFA-BTYIYWSLSA-N -1 1 353.418 2.797 20 10 FFCDMM C[C@]12COC[C@@H]1C[N@@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567099 1006448645 /nfs/dbraw/zinc/44/86/45/1006448645.db2.gz SXOGSLAEULALFA-BTYIYWSLSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000853587153 1006459990 /nfs/dbraw/zinc/45/99/90/1006459990.db2.gz FRYYAZRCUNKIRM-CVEARBPZSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c1[O-] ZINC000853587153 1006459997 /nfs/dbraw/zinc/45/99/97/1006459997.db2.gz FRYYAZRCUNKIRM-CVEARBPZSA-N -1 1 353.418 2.797 20 10 FFCDMM CC(=O)N1CCN(c2cccc(NCc3cc(F)cc(F)c3[O-])c2)CC1 ZINC000883098432 1006643916 /nfs/dbraw/zinc/64/39/16/1006643916.db2.gz ODBLTWVAINULDJ-UHFFFAOYSA-N -1 1 361.392 2.951 20 10 FFCDMM O=C1CC[C@@H]2[C@@H](CCN2Cc2c([O-])cc(F)cc2F)N1CC(F)(F)F ZINC001275229676 1012109372 /nfs/dbraw/zinc/10/93/72/1012109372.db2.gz NRMIAQSQCPSWGC-CHWSQXEVSA-N -1 1 364.314 2.798 20 10 FFCDMM Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)nc(C)n1 ZINC000755529707 1023606952 /nfs/dbraw/zinc/60/69/52/1023606952.db2.gz IXUKQPPTWOUXCR-MRXNPFEDSA-N -1 1 374.872 2.847 20 10 FFCDMM CCn1c(=O)c2cc(F)ccc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000756928722 1023771293 /nfs/dbraw/zinc/77/12/93/1023771293.db2.gz UYSDRWUQEFTZHA-UHFFFAOYSA-N -1 1 374.393 2.942 20 10 FFCDMM COc1ccccc1-c1ccnc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159280517 1027335915 /nfs/dbraw/zinc/33/59/15/1027335915.db2.gz VNWIFEQFPGVJAM-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM CC(C)(CNC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1ccccc1 ZINC001155231311 1028636808 /nfs/dbraw/zinc/63/68/08/1028636808.db2.gz JABVNRQWULXBEL-UHFFFAOYSA-N -1 1 353.374 2.912 20 10 FFCDMM O=C(NCCCOc1cccc(F)c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155233450 1028639884 /nfs/dbraw/zinc/63/98/84/1028639884.db2.gz BEIHTXVANPTDFV-UHFFFAOYSA-N -1 1 373.336 2.542 20 10 FFCDMM O=C(N[C@H]1COc2ccc(Cl)cc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235185 1028642235 /nfs/dbraw/zinc/64/22/35/1028642235.db2.gz YWGCKZITAXJZJA-LBPRGKRZSA-N -1 1 373.748 2.721 20 10 FFCDMM CC(C)(NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1cc(Cl)ccn1 ZINC001155235177 1028642310 /nfs/dbraw/zinc/64/23/10/1028642310.db2.gz HZAVTAYZQHMCLR-UHFFFAOYSA-N -1 1 374.780 2.918 20 10 FFCDMM C[C@@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782784137 1029819906 /nfs/dbraw/zinc/81/99/06/1029819906.db2.gz SHHXLXQSKOELIL-ABAIWWIYSA-N -1 1 369.373 2.732 20 10 FFCDMM CC(C)(C)OC(=O)NC(C)(C)CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783764661 1030271218 /nfs/dbraw/zinc/27/12/18/1030271218.db2.gz MSNFQXAARXHIRG-UHFFFAOYSA-N -1 1 367.398 2.517 20 10 FFCDMM O=C1NC2(C[C@@H]1c1ccncc1)CC[NH+](Cc1cc(F)c(F)cc1O)CC2 ZINC001142517252 1030565493 /nfs/dbraw/zinc/56/54/93/1030565493.db2.gz GPLARDVFHWTGJM-OAHLLOKOSA-N -1 1 373.403 2.704 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203648280 1030803370 /nfs/dbraw/zinc/80/33/70/1030803370.db2.gz HYDPLDRPMHNELO-UONOGXRCSA-N -1 1 356.850 2.506 20 10 FFCDMM O=C(Cc1ccccc1C(F)(F)F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001142839227 1030938233 /nfs/dbraw/zinc/93/82/33/1030938233.db2.gz HLWXNNUMSJLDCY-UHFFFAOYSA-N -1 1 353.296 2.658 20 10 FFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn(C4COC4)c3)c([O-])cc21 ZINC001205571964 1031840813 /nfs/dbraw/zinc/84/08/13/1031840813.db2.gz YWILWXOXZWVIBU-UHFFFAOYSA-N -1 1 361.357 2.679 20 10 FFCDMM O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3c([O-])ccc(F)c3F)C[C@@]12F ZINC001277097705 1034516478 /nfs/dbraw/zinc/51/64/78/1034516478.db2.gz KYECTTOVKRUCDA-ZWKOTPCHSA-N -1 1 372.362 2.687 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccccn2)CC1 ZINC001139124875 1034955071 /nfs/dbraw/zinc/95/50/71/1034955071.db2.gz GQZMGICSSYQAII-UHFFFAOYSA-N -1 1 365.433 2.520 20 10 FFCDMM CC[N@H+]1CC[C@H](Oc2cc(OC)cc3oc4ccc(O)c(=O)c-4c([O-])c23)C1 ZINC001227656593 1035659350 /nfs/dbraw/zinc/65/93/50/1035659350.db2.gz CFERBRSIHRNXFX-NSHDSACASA-N -1 1 371.389 2.839 20 10 FFCDMM CCN1CC[C@H](Oc2cc(OC)cc3oc4ccc(O)c(=O)c-4c([O-])c23)C1 ZINC001227656593 1035659360 /nfs/dbraw/zinc/65/93/60/1035659360.db2.gz CFERBRSIHRNXFX-NSHDSACASA-N -1 1 371.389 2.839 20 10 FFCDMM O=c1ccc2c([nH]1)CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001233030545 1036269939 /nfs/dbraw/zinc/26/99/39/1036269939.db2.gz XFEGHARTPJHEHY-UHFFFAOYSA-N -1 1 367.218 2.995 20 10 FFCDMM [O-]c1c(C[N@H+]2C[C@@H]3CN(Cc4ccco4)CCO[C@@H]3C2)ccc(F)c1F ZINC001233074916 1036319900 /nfs/dbraw/zinc/31/99/00/1036319900.db2.gz OMGDOKRILXYNCN-WMLDXEAASA-N -1 1 364.392 2.596 20 10 FFCDMM [O-]c1c(CN2C[C@H](Oc3cccnc3)[C@H]3OCCC[C@@H]32)ccc(F)c1F ZINC001233076866 1036321892 /nfs/dbraw/zinc/32/18/92/1036321892.db2.gz WFMHOVWOKYQTLJ-BXWFABGCSA-N -1 1 362.376 2.876 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H](C(=O)OCC)C(F)(F)F ZINC001233496455 1036661713 /nfs/dbraw/zinc/66/17/13/1036661713.db2.gz VAVQXDOXNXLSGE-ZDUSSCGKSA-N -1 1 350.289 2.953 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@@H](C(=O)OCC)OC1 ZINC001233496820 1036662051 /nfs/dbraw/zinc/66/20/51/1036662051.db2.gz JHZUUABNQOYEFI-ZBEGNZNMSA-N -1 1 352.383 2.570 20 10 FFCDMM CC(C)CN1C[C@@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387590 1036675399 /nfs/dbraw/zinc/67/53/99/1036675399.db2.gz LENRCEWCRJFJRF-SFHVURJKSA-N -1 1 370.852 2.644 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CCCN(C)C1)C(=O)c1ccccc1C2=O ZINC001229828646 1036922012 /nfs/dbraw/zinc/92/20/12/1036922012.db2.gz BMNOEDNRJSCZPD-CYBMUJFWSA-N -1 1 351.402 2.949 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001234474909 1037052587 /nfs/dbraw/zinc/05/25/87/1037052587.db2.gz ZKYYAWHMMWYJHX-INIZCTEOSA-N -1 1 357.406 2.580 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CC[C@@H](Oc2ncccn2)C1 ZINC001235305953 1037464557 /nfs/dbraw/zinc/46/45/57/1037464557.db2.gz BEFQMDYKYQOYHD-GFCCVEGCSA-N -1 1 368.206 2.737 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001231449195 1037588951 /nfs/dbraw/zinc/58/89/51/1037588951.db2.gz GMNARMPSNDSKLD-KKUMJFAQSA-N -1 1 362.426 2.578 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1ccc(C(=O)[O-])cc1O ZINC001231450480 1037589307 /nfs/dbraw/zinc/58/93/07/1037589307.db2.gz RVZLGSJHYLTCEW-CABCVRRESA-N -1 1 362.426 2.674 20 10 FFCDMM COC(=O)[C@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C[C@@H]1c1ccc(F)cc1 ZINC001231567176 1037692635 /nfs/dbraw/zinc/69/26/35/1037692635.db2.gz WIIBLIMFNVDCRZ-SJORKVTESA-N -1 1 373.380 2.618 20 10 FFCDMM CCCCN1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992070 1038193063 /nfs/dbraw/zinc/19/30/63/1038193063.db2.gz BGRDOTQUGOUSKP-UHFFFAOYSA-N -1 1 373.280 2.912 20 10 FFCDMM COC[C@H]1Cn2nccc2CN(Cc2ccc(OC)c(Cl)c2[O-])C1 ZINC001236814284 1038287775 /nfs/dbraw/zinc/28/77/75/1038287775.db2.gz UXUIPICCPIJPEW-GFCCVEGCSA-N -1 1 351.834 2.529 20 10 FFCDMM NC(=O)c1nc2cc(NC(=O)NCc3cccc(Cl)c3[O-])ccc2o1 ZINC001208696959 1038488674 /nfs/dbraw/zinc/48/86/74/1038488674.db2.gz JCJIFNDTPUPTED-UHFFFAOYSA-N -1 1 360.757 2.607 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1cc(Cl)c(Cl)s1 ZINC001257520300 1038849298 /nfs/dbraw/zinc/84/92/98/1038849298.db2.gz HHXLUQVKUCZUEG-UHFFFAOYSA-N -1 1 354.236 2.945 20 10 FFCDMM O=S(=O)(Nc1cnc2nccn2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251398089 1039110196 /nfs/dbraw/zinc/11/01/96/1039110196.db2.gz IUHLBDJLKUESQL-UHFFFAOYSA-N -1 1 359.194 2.543 20 10 FFCDMM O=S(=O)([N-]c1cc(O)c(F)cc1F)c1ccc(Cl)c2nonc21 ZINC001261071036 1040975626 /nfs/dbraw/zinc/97/56/26/1040975626.db2.gz IYMLXCLADXVDFM-UHFFFAOYSA-N -1 1 361.713 2.661 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1C[C@@H]2CN(Cc3ccc[nH]3)C[C@H](C1)O2 ZINC001279684297 1043463947 /nfs/dbraw/zinc/46/39/47/1043463947.db2.gz PRJFUIFXADPYGG-OKILXGFUSA-N -1 1 365.836 2.598 20 10 FFCDMM CN(C)C(=O)[C@@H]1COCCC12CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279975169 1044018727 /nfs/dbraw/zinc/01/87/27/1044018727.db2.gz BQVOYWIBFROTMA-ZDUSSCGKSA-N -1 1 373.280 2.626 20 10 FFCDMM CCc1n[nH]c(=O)c(CNC(=O)NCc2cccc(Cl)c2[O-])c1CC ZINC001312304736 1044091414 /nfs/dbraw/zinc/09/14/14/1044091414.db2.gz SJSCRBNUWMSAAA-UHFFFAOYSA-N -1 1 364.833 2.665 20 10 FFCDMM COc1cccnc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC001312875850 1044185816 /nfs/dbraw/zinc/18/58/16/1044185816.db2.gz WEAYHFFWFPGCDP-UHFFFAOYSA-N -1 1 366.215 2.558 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(=O)N1CCCC[C@H]1C ZINC001336734124 1054176491 /nfs/dbraw/zinc/17/64/91/1054176491.db2.gz HTNDTECLZJCJEO-VXGBXAGGSA-N -1 1 353.850 2.634 20 10 FFCDMM Cc1[nH]c(C(=O)NCc2cccc(Br)c2[O-])c(C)c1C=O ZINC001448954734 1058844247 /nfs/dbraw/zinc/84/42/47/1058844247.db2.gz BBAGLYOFGRIHRJ-UHFFFAOYSA-N -1 1 351.200 2.842 20 10 FFCDMM CCOc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(F)c1 ZINC001451699003 1059135213 /nfs/dbraw/zinc/13/52/13/1059135213.db2.gz MRKSGCOMRQOEPY-UHFFFAOYSA-N -1 1 368.386 2.554 20 10 FFCDMM C[C@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001462521886 1061657863 /nfs/dbraw/zinc/65/78/63/1061657863.db2.gz TUDGXBINCNYCHK-ZDUSSCGKSA-N -1 1 354.731 2.828 20 10 FFCDMM Cc1c(F)c(F)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001570282909 1077195285 /nfs/dbraw/zinc/19/52/85/1077195285.db2.gz DFBGDSJNSZLUFO-UHFFFAOYSA-N -1 1 356.350 2.603 20 10 FFCDMM [O-]c1c(Br)cc(Br)cc1CN1CC[C@H](CO)C1 ZINC000179953820 509686219 /nfs/dbraw/zinc/68/62/19/509686219.db2.gz SZBXXPYMKDWNHQ-QMMMGPOBSA-N -1 1 365.065 2.731 20 10 FFCDMM COc1cccc([C@@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)c1OC ZINC000277145678 510956106 /nfs/dbraw/zinc/95/61/06/510956106.db2.gz CIZNJMHDUSOSJR-MRXNPFEDSA-N -1 1 357.406 2.944 20 10 FFCDMM O=C(CN1CCCCCCC1=O)NCc1cccc(Br)c1[O-] ZINC000277612234 510967182 /nfs/dbraw/zinc/96/71/82/510967182.db2.gz VIFMCYFKABCMJM-UHFFFAOYSA-N -1 1 369.259 2.564 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCCO1 ZINC000277604887 510966929 /nfs/dbraw/zinc/96/69/29/510966929.db2.gz VMEVRHLUGQXIEP-MFKMUULPSA-N -1 1 357.248 2.912 20 10 FFCDMM Cc1n[nH]cc1CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277667024 510969305 /nfs/dbraw/zinc/96/93/05/510969305.db2.gz ZQFVETGOKWAFFV-UHFFFAOYSA-N -1 1 367.247 2.618 20 10 FFCDMM COc1c(O)c(C[NH2+][C@@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473373 510993641 /nfs/dbraw/zinc/99/36/41/510993641.db2.gz HVTIPNOYBITLOG-SXBQZSJRSA-N -1 1 364.423 2.518 20 10 FFCDMM COc1c(O)c(C[NH2+][C@H](C[S@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473371 510993746 /nfs/dbraw/zinc/99/37/46/510993746.db2.gz HVTIPNOYBITLOG-PWECECGKSA-N -1 1 364.423 2.518 20 10 FFCDMM CC[C@@H]1Oc2cc([C@H](C)NC(=O)c3c(F)ccc(O)c3[O-])ccc2NC1=O ZINC000295368961 511380121 /nfs/dbraw/zinc/38/01/21/511380121.db2.gz RPAIAXOQGUJCPG-XPTSAGLGSA-N -1 1 374.368 2.837 20 10 FFCDMM O=C([O-])C[N@H+](CCC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739784462 600144668 /nfs/dbraw/zinc/14/46/68/600144668.db2.gz CWIVGLUSRROMCE-UHFFFAOYSA-N -1 1 362.813 2.961 20 10 FFCDMM O=C([O-])C[N@@H+](CCC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739784462 600144671 /nfs/dbraw/zinc/14/46/71/600144671.db2.gz CWIVGLUSRROMCE-UHFFFAOYSA-N -1 1 362.813 2.961 20 10 FFCDMM O=C([O-])C[N@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739793607 600315951 /nfs/dbraw/zinc/31/59/51/600315951.db2.gz IDZRFTGKCLLQBB-XMMPIXPASA-N -1 1 367.854 2.740 20 10 FFCDMM O=C([O-])C[N@@H+](CC[S@@](=O)c1ccccc1)Cc1cc(Cl)ccc1[O-] ZINC000739793607 600315953 /nfs/dbraw/zinc/31/59/53/600315953.db2.gz IDZRFTGKCLLQBB-XMMPIXPASA-N -1 1 367.854 2.740 20 10 FFCDMM C[C@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000828028949 601886262 /nfs/dbraw/zinc/88/62/62/601886262.db2.gz IXWIRJVARALSJJ-FQEVSTJZSA-N -1 1 355.390 2.625 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c1 ZINC000833896913 605912981 /nfs/dbraw/zinc/91/29/81/605912981.db2.gz ATSVUQQBRWXKHK-ZWNOBZJWSA-N -1 1 357.248 2.941 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)NC(=O)[O-])C2)c1 ZINC000833898468 605914313 /nfs/dbraw/zinc/91/43/13/605914313.db2.gz UPXSPHKXQKDKOB-WDEREUQCSA-N -1 1 357.248 2.941 20 10 FFCDMM COc1ccc(O)c([C@@H](C)[N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1 ZINC000161179084 728929802 /nfs/dbraw/zinc/92/98/02/728929802.db2.gz GENMZDOIORIXAS-MRVPVSSYSA-N -1 1 361.341 2.858 20 10 FFCDMM CCn1c(=O)c2ccccc2nc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000028850739 727887769 /nfs/dbraw/zinc/88/77/69/727887769.db2.gz UOMPWDRLESXVMZ-UHFFFAOYSA-N -1 1 356.403 2.803 20 10 FFCDMM CC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000041374398 727939558 /nfs/dbraw/zinc/93/95/58/727939558.db2.gz AQWRHILVAKIAMD-UHFFFAOYSA-N -1 1 360.435 2.527 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN(CCS(C)(=O)=O)C(C)(C)C)c1[O-] ZINC000131489840 728722327 /nfs/dbraw/zinc/72/23/27/728722327.db2.gz IZIOUWAIKBXYHY-UHFFFAOYSA-N -1 1 361.891 2.893 20 10 FFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@@H]1C(=O)OC(C)(C)C ZINC000863939226 730816853 /nfs/dbraw/zinc/81/68/53/730816853.db2.gz ZCGNRXDYDLUGHT-MNOVXSKESA-N -1 1 353.390 2.677 20 10 FFCDMM C[C@@H]1C[C@@H]1c1noc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000865984424 731018574 /nfs/dbraw/zinc/01/85/74/731018574.db2.gz GZMYFNKETXYJNZ-APPZFPTMSA-N -1 1 352.188 2.591 20 10 FFCDMM COc1ccc(N2CC[C@H](NC(=O)Cc3ccc([O-])c(Cl)c3)C2)cc1 ZINC000869229384 731377167 /nfs/dbraw/zinc/37/71/67/731377167.db2.gz VTORDLLJUIQNNS-AWEZNQCLSA-N -1 1 360.841 2.992 20 10 FFCDMM CCOC1CC2(C[C@H]2NC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000873275793 731896628 /nfs/dbraw/zinc/89/66/28/731896628.db2.gz JTUDBCONMFMKIG-RYCVTPFZSA-N -1 1 369.259 2.912 20 10 FFCDMM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1)c1ccccc1O ZINC000882502167 733235307 /nfs/dbraw/zinc/23/53/07/733235307.db2.gz JNWDJLFKLVHNJJ-IPQOISQHSA-N -1 1 360.501 2.718 20 10 FFCDMM Cc1nc2ccnn2c(C)c1CCC(=O)NCc1cccc(Cl)c1[O-] ZINC000890757277 734336277 /nfs/dbraw/zinc/33/62/77/734336277.db2.gz AYDHYDSBGHDWRQ-UHFFFAOYSA-N -1 1 358.829 2.954 20 10 FFCDMM CCN(CC)C(=O)N1CCC(C(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000890757552 734336462 /nfs/dbraw/zinc/33/64/62/734336462.db2.gz HRXQVSHMPHDSOO-UHFFFAOYSA-N -1 1 367.877 2.836 20 10 FFCDMM O=C(CSc1nnnn1C1CCCC1)NCc1cccc(Cl)c1[O-] ZINC000890758267 734336904 /nfs/dbraw/zinc/33/69/04/734336904.db2.gz UIFUASULLQFNFR-UHFFFAOYSA-N -1 1 367.862 2.556 20 10 FFCDMM O=C(Cc1ccccc1OC(F)F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783722337 738829096 /nfs/dbraw/zinc/82/90/96/738829096.db2.gz GRIWZKVGIKZCCT-UHFFFAOYSA-N -1 1 352.289 2.668 20 10 FFCDMM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000893244910 734674119 /nfs/dbraw/zinc/67/41/19/734674119.db2.gz CLCGKUGBJXDOER-JTQLQIEISA-N -1 1 350.850 2.826 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H](n1cccn1)C(F)(F)F ZINC000895954196 735079660 /nfs/dbraw/zinc/07/96/60/735079660.db2.gz KARIGYGFAQVNPV-NSHDSACASA-N -1 1 362.739 2.845 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN(C)CC(=O)NCc2ccccc2)c1[O-] ZINC000750047221 735768114 /nfs/dbraw/zinc/76/81/14/735768114.db2.gz KHWDCHDWGBWFQQ-UHFFFAOYSA-N -1 1 360.841 2.996 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3cc(F)cc(F)c3)no2)c1 ZINC000761594265 736747291 /nfs/dbraw/zinc/74/72/91/736747291.db2.gz NPIQXSFKJSSUHV-UHFFFAOYSA-N -1 1 367.333 2.759 20 10 FFCDMM O=C(NCc1cccc(O)c1)NCc1cccc(Br)c1[O-] ZINC000764791657 737050136 /nfs/dbraw/zinc/05/01/36/737050136.db2.gz PFJZFZAWDCZLSL-UHFFFAOYSA-N -1 1 351.200 2.860 20 10 FFCDMM O=Cc1cccc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765729657 737150002 /nfs/dbraw/zinc/15/00/02/737150002.db2.gz RKGNAHSJOXHMMG-UHFFFAOYSA-N -1 1 364.195 2.662 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000765730516 737150187 /nfs/dbraw/zinc/15/01/87/737150187.db2.gz CIRGMZQWZHHLAK-UHFFFAOYSA-N -1 1 362.183 2.667 20 10 FFCDMM COC(=O)CC(C)(C)CC(=O)NCc1cccc(Br)c1[O-] ZINC000765747116 737153192 /nfs/dbraw/zinc/15/31/92/737153192.db2.gz MCMBSTJNWRQRNZ-UHFFFAOYSA-N -1 1 358.232 2.750 20 10 FFCDMM Cc1cccn2cc(CC(=O)NCc3cccc(Br)c3[O-])nc12 ZINC000765753042 737154302 /nfs/dbraw/zinc/15/43/02/737154302.db2.gz NEXTUIVLPCNQOD-UHFFFAOYSA-N -1 1 374.238 2.970 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccnc1-n1cccn1 ZINC000765763596 737155142 /nfs/dbraw/zinc/15/51/42/737155142.db2.gz FEPQZZJXCHUXNN-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM CCn1cc(NC(=S)NCc2cccc(Br)c2[O-])cn1 ZINC000765992865 737181378 /nfs/dbraw/zinc/18/13/78/737181378.db2.gz PYRSHRKAMHAGEH-UHFFFAOYSA-N -1 1 355.261 2.858 20 10 FFCDMM Cc1cc(S(=O)(=O)NCc2cccc(Br)c2[O-])c(C)o1 ZINC000766199338 737206540 /nfs/dbraw/zinc/20/65/40/737206540.db2.gz COSOHMYLLFLLFU-UHFFFAOYSA-N -1 1 360.229 2.843 20 10 FFCDMM COc1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769587695 737543323 /nfs/dbraw/zinc/54/33/23/737543323.db2.gz XZMKJAJEROYKEK-UHFFFAOYSA-N -1 1 370.814 2.678 20 10 FFCDMM COc1ccc(Cl)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000769724954 737558420 /nfs/dbraw/zinc/55/84/20/737558420.db2.gz CIWBTYRSOJBMLZ-UHFFFAOYSA-N -1 1 370.814 2.678 20 10 FFCDMM CCOC(=O)[C@@H](CC)N(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C1CC1 ZINC000775100169 738061899 /nfs/dbraw/zinc/06/18/99/738061899.db2.gz BAHUSRPDVPMMQB-CYBMUJFWSA-N -1 1 352.387 2.615 20 10 FFCDMM COc1ccc(O)c(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000778004176 738341214 /nfs/dbraw/zinc/34/12/14/738341214.db2.gz CAYACBVRLLNWMT-UHFFFAOYSA-N -1 1 363.222 2.581 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])sc1C ZINC000790409576 739449260 /nfs/dbraw/zinc/44/92/60/739449260.db2.gz QRNUJUDHDBJXAG-UHFFFAOYSA-N -1 1 357.409 2.660 20 10 FFCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2cc(Cl)ccc2OC)n1 ZINC000792679908 739692755 /nfs/dbraw/zinc/69/27/55/739692755.db2.gz LATNNHRPFVKIFZ-UHFFFAOYSA-N -1 1 353.835 2.769 20 10 FFCDMM COc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000795186419 739980022 /nfs/dbraw/zinc/98/00/22/739980022.db2.gz SYTXOWFXLZKSEL-UHFFFAOYSA-N -1 1 372.240 2.642 20 10 FFCDMM COC(=O)c1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819731 740275822 /nfs/dbraw/zinc/27/58/22/740275822.db2.gz PWKHCGJVFSRZSQ-UHFFFAOYSA-N -1 1 365.407 2.605 20 10 FFCDMM O=[N+]([O-])c1cc(F)c(Cl)cc1S(=O)(=O)[N-]Cc1ccccc1O ZINC000815016024 741882784 /nfs/dbraw/zinc/88/27/84/741882784.db2.gz VUHFRLNPOFLQKU-UHFFFAOYSA-N -1 1 360.750 2.571 20 10 FFCDMM CCc1ccc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)s1 ZINC000825968756 743350268 /nfs/dbraw/zinc/35/02/68/743350268.db2.gz CKXDUOMNCKAWLQ-UHFFFAOYSA-N -1 1 364.442 2.819 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cc(Br)ccc2N)ccc1O ZINC001174542418 1013240423 /nfs/dbraw/zinc/24/04/23/1013240423.db2.gz MVISLDLXPWTNEN-UHFFFAOYSA-N -1 1 373.228 2.546 20 10 FFCDMM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1cc(F)c(F)cc1[O-] ZINC001279108368 963778577 /nfs/dbraw/zinc/77/85/77/963778577.db2.gz UQWFQBMMCUPQPG-OKILXGFUSA-N -1 1 364.417 2.760 20 10 FFCDMM CC[C@@]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595300374 980434037 /nfs/dbraw/zinc/43/40/37/980434037.db2.gz PGFGSUYKMZUPST-SFHVURJKSA-N -1 1 360.366 2.789 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142509072 982464998 /nfs/dbraw/zinc/46/49/98/982464998.db2.gz WDVINPIMWPHLBR-CYBMUJFWSA-N -1 1 372.412 2.786 20 10 FFCDMM Cc1c(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)ccc2cncn21 ZINC001599974232 986062927 /nfs/dbraw/zinc/06/29/27/986062927.db2.gz IIKMJBYVNSUGHB-UHFFFAOYSA-N -1 1 373.796 2.729 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc([C@@H]3CCc4ccccc43)no2)c1 ZINC000762069103 988098943 /nfs/dbraw/zinc/09/89/43/988098943.db2.gz IRTILRVPCXUAKU-CQSZACIVSA-N -1 1 371.418 2.892 20 10 FFCDMM CN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(Br)c(F)cc3O)CC[C@H]21 ZINC001144308015 998304145 /nfs/dbraw/zinc/30/41/45/998304145.db2.gz GXPLWRJNWRGWBL-IINYFYTJSA-N -1 1 371.250 2.737 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CC=CC3)C2)c1[O-] ZINC000742164214 999760190 /nfs/dbraw/zinc/76/01/90/999760190.db2.gz YMWQOPQIIJGIPW-QGZVFWFLSA-N -1 1 364.445 2.775 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](N3CC=CC3)C2)c1[O-] ZINC000742164214 999760191 /nfs/dbraw/zinc/76/01/91/999760191.db2.gz YMWQOPQIIJGIPW-QGZVFWFLSA-N -1 1 364.445 2.775 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(C[N@H+]1CCC[C@@H]1c1ccc(F)cc1)cc2=O ZINC000846235187 1000239113 /nfs/dbraw/zinc/23/91/13/1000239113.db2.gz UTUGODDNSFQDJS-OAHLLOKOSA-N -1 1 356.357 2.609 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]1c1ccc(F)cc1)cc2=O ZINC000846235187 1000239118 /nfs/dbraw/zinc/23/91/18/1000239118.db2.gz UTUGODDNSFQDJS-OAHLLOKOSA-N -1 1 356.357 2.609 20 10 FFCDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)c2cc[nH]c2c1C ZINC001170320792 1003108533 /nfs/dbraw/zinc/10/85/33/1003108533.db2.gz NWKAXTIRCVOWNM-UHFFFAOYSA-N -1 1 354.362 2.969 20 10 FFCDMM COc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1OCC1CC1 ZINC001191653653 1003916712 /nfs/dbraw/zinc/91/67/12/1003916712.db2.gz YQWMHXBDBIBTMD-UHFFFAOYSA-N -1 1 371.389 2.508 20 10 FFCDMM COC(=O)c1cccc(C)c1S(=O)(=O)Nc1ccc([O-])c(F)c1F ZINC001197030147 1004053418 /nfs/dbraw/zinc/05/34/18/1004053418.db2.gz WXQGVEYNSQFYRD-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM O=C(NCc1cc(F)cc2c1OCOC2)c1ccc(O)c([O-])c1Cl ZINC001193236903 1004412427 /nfs/dbraw/zinc/41/24/27/1004412427.db2.gz SRNXWUGOBNMDMW-UHFFFAOYSA-N -1 1 353.733 2.687 20 10 FFCDMM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2c(F)cc([O-])cc2F)c1 ZINC001193437424 1004477683 /nfs/dbraw/zinc/47/76/83/1004477683.db2.gz YMRSZZHYTDVFAB-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM COC(=O)c1cc(C(=O)N(Cc2ccccc2)c2ccc(N)cc2)[n-]n1 ZINC001194288752 1004707141 /nfs/dbraw/zinc/70/71/41/1004707141.db2.gz NNXUZMXYGJAAHY-UHFFFAOYSA-N -1 1 350.378 2.626 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ncccc1C(F)(F)F ZINC001194568946 1004761730 /nfs/dbraw/zinc/76/17/30/1004761730.db2.gz UCYBMJMORQDPNI-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM COc1ccc(N2CC[C@@H](NC(=O)c3c(C)nc(C(C)C)[n-]c3=O)C2)cc1 ZINC000855232103 1007199071 /nfs/dbraw/zinc/19/90/71/1007199071.db2.gz QQQLRTTWUHUUPT-CQSZACIVSA-N -1 1 370.453 2.631 20 10 FFCDMM CCOC(=O)c1cccc2nc(NCc3cc([N+](=O)[O-])ccc3[O-])[nH]c21 ZINC001179758125 1009441629 /nfs/dbraw/zinc/44/16/29/1009441629.db2.gz AUIYQHPOQNKKRV-UHFFFAOYSA-N -1 1 356.338 2.966 20 10 FFCDMM NC(=O)N[C@@H](CC(=O)NCc1cccc(Cl)c1[O-])c1cccs1 ZINC001180410158 1009684692 /nfs/dbraw/zinc/68/46/92/1009684692.db2.gz KTXIIWIRQIOOTA-NSHDSACASA-N -1 1 353.831 2.523 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(=O)n(-c2ccccc2)n1 ZINC001180409550 1009684897 /nfs/dbraw/zinc/68/48/97/1009684897.db2.gz BHIDTGTXZISVEH-UHFFFAOYSA-N -1 1 355.781 2.522 20 10 FFCDMM Cc1ccc(C(C)C)c(OCC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001180512258 1009710923 /nfs/dbraw/zinc/71/09/23/1009710923.db2.gz JKHYACIUFWWVRD-UHFFFAOYSA-N -1 1 357.406 2.908 20 10 FFCDMM O=C(NC[C@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1)c1ccccc1 ZINC000826652295 1010034279 /nfs/dbraw/zinc/03/42/79/1010034279.db2.gz BIFUNBUVLZKVAR-CYBMUJFWSA-N -1 1 372.396 2.519 20 10 FFCDMM COc1ccc(-n2c(C)nnc2SCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000794458792 1010038996 /nfs/dbraw/zinc/03/89/96/1010038996.db2.gz BGNDZDPAVHRIET-UHFFFAOYSA-N -1 1 371.418 2.971 20 10 FFCDMM CCCCN1C[C@@]2(CC1=O)COCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001275229694 1012109578 /nfs/dbraw/zinc/10/95/78/1012109578.db2.gz OGUYESXNWAFHLT-IBGZPJMESA-N -1 1 368.424 2.521 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000828811904 1032850205 /nfs/dbraw/zinc/85/02/05/1032850205.db2.gz KVKGVQAFAYQNIT-UHFFFAOYSA-N -1 1 363.360 2.586 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c1ccc([O-])c2O[C@H]1CNCC(F)(F)C1 ZINC001218272211 1033078054 /nfs/dbraw/zinc/07/80/54/1033078054.db2.gz BMNFPUJDIJSTBW-SNVBAGLBSA-N -1 1 359.328 2.544 20 10 FFCDMM CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000829676070 1033279997 /nfs/dbraw/zinc/27/99/97/1033279997.db2.gz ZUBPZXYZGGJIAK-SFHVURJKSA-N -1 1 372.852 2.921 20 10 FFCDMM O=C(CNC(F)(F)c1nc(Cl)ncc1Cl)c1ccc([O-])c(O)c1 ZINC001159277318 1027332270 /nfs/dbraw/zinc/33/22/70/1027332270.db2.gz ULJXSLHRHSIQLU-UHFFFAOYSA-N -1 1 364.135 2.716 20 10 FFCDMM COc1cc2c(cc1Cl)ncnc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001159277734 1027334053 /nfs/dbraw/zinc/33/40/53/1027334053.db2.gz XKSOOYBJXZOAEO-UHFFFAOYSA-N -1 1 359.769 2.998 20 10 FFCDMM Cc1nc(-c2ccccn2)nc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001159280503 1027336214 /nfs/dbraw/zinc/33/62/14/1027336214.db2.gz UWBVQKBBIUZBMX-UHFFFAOYSA-N -1 1 350.378 2.861 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c1 ZINC001152994364 1027737437 /nfs/dbraw/zinc/73/74/37/1027737437.db2.gz OKKSEPQMDYWHFZ-CYBMUJFWSA-N -1 1 370.844 2.890 20 10 FFCDMM O=C(Nc1nc(C(F)(F)F)cs1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155221545 1028630216 /nfs/dbraw/zinc/63/02/16/1028630216.db2.gz DOGDXUBYHZYJKT-UHFFFAOYSA-N -1 1 372.280 2.932 20 10 FFCDMM O=C(NC1C2CC3CC(C2)CC1C3)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231195 1028636743 /nfs/dbraw/zinc/63/67/43/1028636743.db2.gz HCXQKKFCOJYJDO-UHFFFAOYSA-N -1 1 355.390 2.759 20 10 FFCDMM O=C(COC(=O)C1(c2ccccc2)CCOCC1)c1ccc([O-])c(O)c1 ZINC000782823040 1029829432 /nfs/dbraw/zinc/82/94/32/1029829432.db2.gz VXSMGQVIUQPDFG-UHFFFAOYSA-N -1 1 356.374 2.572 20 10 FFCDMM COCCn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc21 ZINC000783175369 1029948894 /nfs/dbraw/zinc/94/88/94/1029948894.db2.gz MXAWACFKTGDVEZ-UHFFFAOYSA-N -1 1 369.373 2.739 20 10 FFCDMM COc1ccc(CN[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1C ZINC000840998163 1029967991 /nfs/dbraw/zinc/96/79/91/1029967991.db2.gz OVWKFYHHHKOSBA-IEBWSBKVSA-N -1 1 368.433 2.520 20 10 FFCDMM CCN(CC)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccccc1 ZINC000783584541 1030168784 /nfs/dbraw/zinc/16/87/84/1030168784.db2.gz AGQIHXKHALQVSC-IBGZPJMESA-N -1 1 357.406 2.907 20 10 FFCDMM COC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCN1C(=O)OC(C)(C)C ZINC001142508483 1030558133 /nfs/dbraw/zinc/55/81/33/1030558133.db2.gz AFRQRELFXFLBSG-CYBMUJFWSA-N -1 1 372.412 2.738 20 10 FFCDMM O=C1COC2(CN(Cc3cc(F)c(Cl)cc3[O-])C2)CN1C1CCCC1 ZINC001276967922 1033865177 /nfs/dbraw/zinc/86/51/77/1033865177.db2.gz VNSKALILHPVDDV-UHFFFAOYSA-N -1 1 368.836 2.541 20 10 FFCDMM O=C1COCC2(CN(Cc3cc(F)c(Cl)cc3[O-])C2)N1C1CCCC1 ZINC001276968180 1033867234 /nfs/dbraw/zinc/86/72/34/1033867234.db2.gz YTDKOMUUTOFURW-UHFFFAOYSA-N -1 1 368.836 2.541 20 10 FFCDMM O=C1N(CC(F)(F)F)CC[C@]12CCCN2Cc1c([O-])ccc(F)c1F ZINC001277097633 1034517435 /nfs/dbraw/zinc/51/74/35/1034517435.db2.gz JGQUPWNLUXLUNQ-OAHLLOKOSA-N -1 1 364.314 2.800 20 10 FFCDMM COC(C)(C)CN1CC[C@@]2(CCCN2Cc2c([O-])ccc(F)c2F)C1=O ZINC001277098101 1034519844 /nfs/dbraw/zinc/51/98/44/1034519844.db2.gz OIKOVPNYYMVSCD-IBGZPJMESA-N -1 1 368.424 2.662 20 10 FFCDMM COC(=O)[C@@]1(C)C[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227578114 1035614717 /nfs/dbraw/zinc/61/47/17/1035614717.db2.gz QSYMKVWUVPCUCQ-XROVZCQNSA-N -1 1 366.369 2.888 20 10 FFCDMM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3cc(Cl)c([O-])cc3O)C[C@@]2(F)C1=O ZINC001277663189 1035681512 /nfs/dbraw/zinc/68/15/12/1035681512.db2.gz ZNBDJOYLHIFDOC-GPNNCHTKSA-N -1 1 374.815 2.624 20 10 FFCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1ncccn1 ZINC001228115175 1035941803 /nfs/dbraw/zinc/94/18/03/1035941803.db2.gz MBMOXPRIMCHUSS-NSHDSACASA-N -1 1 352.346 2.964 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CC[C@H](OC(C)C)C2)c1 ZINC001233308966 1036514906 /nfs/dbraw/zinc/51/49/06/1036514906.db2.gz NIVYXOABAZLERE-ZDUSSCGKSA-N -1 1 372.259 2.941 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](OC)C[C@H]2C)c1 ZINC001233309484 1036515197 /nfs/dbraw/zinc/51/51/97/1036515197.db2.gz LKANGEKDXBPXPU-MFKMUULPSA-N -1 1 372.259 2.941 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c(OC[C@@H]3CCCCO3)cc([O-])c(O)c21 ZINC001229196816 1036547613 /nfs/dbraw/zinc/54/76/13/1036547613.db2.gz IJRQONOXKQCEJD-NSHDSACASA-N -1 1 354.358 2.821 20 10 FFCDMM COC(=O)[C@@H]1C[C@@H]2COC[C@H](C1)N2Cc1cccc(C(F)(F)F)c1[O-] ZINC001233418279 1036610390 /nfs/dbraw/zinc/61/03/90/1036610390.db2.gz AADJDNOHEUPSES-XYYAHUGASA-N -1 1 359.344 2.563 20 10 FFCDMM COc1ccnc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)n1 ZINC001233418690 1036610895 /nfs/dbraw/zinc/61/08/95/1036610895.db2.gz RGJGLYDYORGSOT-UHFFFAOYSA-N -1 1 368.359 2.532 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001234477664 1037054590 /nfs/dbraw/zinc/05/45/90/1037054590.db2.gz VJEQMWIGPOLABL-NORZTCDRSA-N -1 1 363.410 2.935 20 10 FFCDMM COCCCN1CC[C@]2(CCCN2Cc2cc(F)cc(Cl)c2[O-])C1=O ZINC001277509112 1037546940 /nfs/dbraw/zinc/54/69/40/1037546940.db2.gz AOPKCLJSJHBXSX-GOSISDBHSA-N -1 1 370.852 2.788 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3noc4ccccc43)CC2)c1 ZINC001231559562 1037682543 /nfs/dbraw/zinc/68/25/43/1037682543.db2.gz GEPZTCSILWMDRR-UHFFFAOYSA-N -1 1 353.378 2.554 20 10 FFCDMM CCOC(=O)[C@@H]1C(=O)CCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001236666085 1038180979 /nfs/dbraw/zinc/18/09/79/1038180979.db2.gz MXFKQUDRKFPTOI-AWEZNQCLSA-N -1 1 370.243 2.560 20 10 FFCDMM O=C([N-]C1CC[NH+](Cc2c([O-])ccc(F)c2Cl)CC1)C(F)(F)F ZINC001237125812 1038450302 /nfs/dbraw/zinc/45/03/02/1038450302.db2.gz FPJMZMYXCGWMKB-UHFFFAOYSA-N -1 1 354.731 2.828 20 10 FFCDMM O=S(=O)([N-]c1ccccc1CN1CCCC1)c1cccc2nonc21 ZINC001260440866 1040592942 /nfs/dbraw/zinc/59/29/42/1040592942.db2.gz SWIADYXUVOKUMR-UHFFFAOYSA-N -1 1 358.423 2.619 20 10 FFCDMM CCn1ccnc1CN1CCC2(CN(Cc3c([O-])cc(F)cc3F)C2)C1 ZINC001278605721 1041392875 /nfs/dbraw/zinc/39/28/75/1041392875.db2.gz IPPVHSZMPZGHAG-UHFFFAOYSA-N -1 1 362.424 2.595 20 10 FFCDMM CC(C)NC(=O)N1CC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)C1 ZINC001279503824 1043198453 /nfs/dbraw/zinc/19/84/53/1043198453.db2.gz ACLMUEYVJIGQMS-UHFFFAOYSA-N -1 1 357.376 2.647 20 10 FFCDMM C[C@H]1CCN(Cc2cccc(I)c2[O-])CCC1=O ZINC001237776461 1043351553 /nfs/dbraw/zinc/35/15/53/1043351553.db2.gz KBMXGZCHKGESBC-JTQLQIEISA-N -1 1 359.207 2.798 20 10 FFCDMM CC(=O)[C@@H]1CCCCN1Cc1cccc(I)c1[O-] ZINC001237782058 1043356396 /nfs/dbraw/zinc/35/63/96/1043356396.db2.gz DAOTUPUWUPZMPB-ZDUSSCGKSA-N -1 1 359.207 2.940 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCN(c2nccnc2Cl)CC1 ZINC001237935601 1043441552 /nfs/dbraw/zinc/44/15/52/1043441552.db2.gz WJKFUPGBPZSZQO-UHFFFAOYSA-N -1 1 357.216 2.950 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@H]1COCCN1Cc1cc(F)c(Cl)cc1[O-] ZINC001237948650 1043450904 /nfs/dbraw/zinc/45/09/04/1043450904.db2.gz FUZJCZHZWPWHKK-LBPRGKRZSA-N -1 1 374.840 2.910 20 10 FFCDMM CCn1ccnc1CN1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1Cl ZINC001279683281 1043461740 /nfs/dbraw/zinc/46/17/40/1043461740.db2.gz DKRNMDIDFWTGRN-BETUJISGSA-N -1 1 364.852 2.860 20 10 FFCDMM O=C(Cc1c[nH]c2cnccc12)NCc1cccc(Br)c1[O-] ZINC001326326815 1046877085 /nfs/dbraw/zinc/87/70/85/1046877085.db2.gz DXKDUHVMTWGFSF-UHFFFAOYSA-N -1 1 360.211 2.890 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC(c2nc(-c3ccccc3)no2)C1 ZINC001306899384 1052216066 /nfs/dbraw/zinc/21/60/66/1052216066.db2.gz JUFWOUBTOWCILU-UHFFFAOYSA-N -1 1 355.325 2.527 20 10 FFCDMM CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2ncccc2[O-])cc1 ZINC000153699072 508628735 /nfs/dbraw/zinc/62/87/35/508628735.db2.gz NKUNHYDLOCSJDS-QGZVFWFLSA-N -1 1 355.438 2.675 20 10 FFCDMM COc1cccc(N2CC[C@H](CNC(=O)c3c(F)ccc(O)c3[O-])C2)c1 ZINC000276538713 510941976 /nfs/dbraw/zinc/94/19/76/510941976.db2.gz FTZCJAPCJOPOQI-GFCCVEGCSA-N -1 1 360.385 2.502 20 10 FFCDMM Cc1nc(CCNC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000277667325 510968467 /nfs/dbraw/zinc/96/84/67/510968467.db2.gz ZTAMEACXDDESMM-UHFFFAOYSA-N -1 1 370.272 2.962 20 10 FFCDMM CCOC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccccc1 ZINC000278487499 510994468 /nfs/dbraw/zinc/99/44/68/510994468.db2.gz KVGBHCZHCXXWII-OAHLLOKOSA-N -1 1 360.366 2.703 20 10 FFCDMM [O-]c1c(Cl)cccc1CNc1cnn(Cc2nnc3n2CCCC3)c1 ZINC000278794810 511007601 /nfs/dbraw/zinc/00/76/01/511007601.db2.gz WYUNVMCTXIXCFI-UHFFFAOYSA-N -1 1 358.833 2.830 20 10 FFCDMM O=C(CC[C@H]1CCOC1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612974 512899659 /nfs/dbraw/zinc/89/96/59/512899659.db2.gz XYZNVGNGSPXKAG-WMLDXEAASA-N -1 1 366.889 2.943 20 10 FFCDMM O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnn(C2CC2)c1 ZINC000528862290 516756678 /nfs/dbraw/zinc/75/66/78/516756678.db2.gz MXPLCSZCLBKPJV-INIZCTEOSA-N -1 1 374.872 2.971 20 10 FFCDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000743259972 735285863 /nfs/dbraw/zinc/28/58/63/735285863.db2.gz SJAMUMMYAZPURJ-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM COc1ccc(O)c(CNC(=O)c2cc(Br)ccc2[O-])c1 ZINC000114541262 728561308 /nfs/dbraw/zinc/56/13/08/728561308.db2.gz DWZDAVWKVZJQKY-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM CO[C@H](C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-])C1CC1 ZINC000864516469 730855994 /nfs/dbraw/zinc/85/59/94/730855994.db2.gz NNYCLKMHRJPBOO-TZMCWYRMSA-N -1 1 358.232 2.513 20 10 FFCDMM CCO[C@@H]1COCC[C@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000867831318 731231581 /nfs/dbraw/zinc/23/15/81/731231581.db2.gz UTDFYTXNCFWGIM-SMDDNHRTSA-N -1 1 372.259 2.603 20 10 FFCDMM COCCc1noc(CN(C)Cc2cc(C)cc(Br)c2[O-])n1 ZINC000781913978 738672037 /nfs/dbraw/zinc/67/20/37/738672037.db2.gz UXYBJFKJGVKXQX-UHFFFAOYSA-N -1 1 370.247 2.667 20 10 FFCDMM C[C@@H]([N-]S(=O)(=O)N=[S@](C)(=O)C1CCCCC1)c1ccccc1O ZINC000882502171 733235419 /nfs/dbraw/zinc/23/54/19/733235419.db2.gz JNWDJLFKLVHNJJ-VERVWZFWSA-N -1 1 360.501 2.718 20 10 FFCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(Br)cc2)n1 ZINC000783742943 738831566 /nfs/dbraw/zinc/83/15/66/738831566.db2.gz XSUVXSVWRWEQAA-UHFFFAOYSA-N -1 1 368.260 2.870 20 10 FFCDMM O=C(COC(=O)c1cnc(-c2cccnc2)s1)c1ccc([O-])c(O)c1 ZINC000784425415 738890595 /nfs/dbraw/zinc/89/05/95/738890595.db2.gz FAGXPEYTGGEPFK-UHFFFAOYSA-N -1 1 356.359 2.656 20 10 FFCDMM Cn1nc2c(c1S(=O)(=O)Nc1cc(F)c([O-])cc1Cl)CCCC2 ZINC000901963902 735880299 /nfs/dbraw/zinc/88/02/99/735880299.db2.gz ZNCHCGKYJZDCRQ-UHFFFAOYSA-N -1 1 359.810 2.598 20 10 FFCDMM Cn1nnc(NCc2cc(Br)cc(F)c2[O-])c1C(F)F ZINC000902708791 735984560 /nfs/dbraw/zinc/98/45/60/735984560.db2.gz JFRNTNMLOJMAHB-UHFFFAOYSA-N -1 1 351.126 2.972 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@@H]32)c1[O-] ZINC000753855972 736101758 /nfs/dbraw/zinc/10/17/58/736101758.db2.gz LJWIFGYJGVNXOC-HOTGVXAUSA-N -1 1 371.886 2.790 20 10 FFCDMM COc1cc(Br)c(C=C2SC(=S)[N-]C2=O)c(OC)c1 ZINC000760806505 736669657 /nfs/dbraw/zinc/66/96/57/736669657.db2.gz JFKREKNMOQJJGA-YHYXMXQVSA-N -1 1 360.254 2.955 20 10 FFCDMM COCc1nc(NCc2cccc(Br)c2[O-])cc(OC)n1 ZINC000764932915 737064676 /nfs/dbraw/zinc/06/46/76/737064676.db2.gz ANXPKRDLSKXNLS-UHFFFAOYSA-N -1 1 354.204 2.712 20 10 FFCDMM CCNC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC000764933450 737064691 /nfs/dbraw/zinc/06/46/91/737064691.db2.gz DBFXBEWOMRODCH-UHFFFAOYSA-N -1 1 350.216 2.912 20 10 FFCDMM O=C(NCCc1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765481483 737122618 /nfs/dbraw/zinc/12/26/18/737122618.db2.gz UZFXIDLKYCOVEC-UHFFFAOYSA-N -1 1 365.227 2.902 20 10 FFCDMM O=Cc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765746052 737152457 /nfs/dbraw/zinc/15/24/57/737152457.db2.gz CECMDONBAULGCT-UHFFFAOYSA-N -1 1 364.195 2.662 20 10 FFCDMM CCCOc1ccccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769647007 737549896 /nfs/dbraw/zinc/54/98/96/737549896.db2.gz FWHSUCLMLSXQIS-UHFFFAOYSA-N -1 1 364.423 2.805 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@H](C)c2ccccc2Cl)C(=O)[N-]C1=S ZINC000920980413 737937918 /nfs/dbraw/zinc/93/79/18/737937918.db2.gz MTMNIHJGJIUOAQ-KAQJVSAMSA-N -1 1 365.886 2.774 20 10 FFCDMM COc1cc(C(=O)N[C@H](C)Cc2ccc(O)c(O)c2)cc(Cl)c1[O-] ZINC000785629912 738983685 /nfs/dbraw/zinc/98/36/85/738983685.db2.gz WCFBHTNRYQKIAX-SECBINFHSA-N -1 1 351.786 2.826 20 10 FFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)CCOc1ccc(OC)cc1 ZINC000790411729 739449829 /nfs/dbraw/zinc/44/98/29/739449829.db2.gz PEHIOWYLHSCUSU-UHFFFAOYSA-N -1 1 367.423 2.620 20 10 FFCDMM CC[C@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000793362548 739773829 /nfs/dbraw/zinc/77/38/29/739773829.db2.gz VQXGDJKCGGRWPP-XJKSGUPXSA-N -1 1 356.806 2.724 20 10 FFCDMM COc1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1OCC(N)=O ZINC000816522739 742038292 /nfs/dbraw/zinc/03/82/92/742038292.db2.gz LZXOWBWJHZHYSC-UHFFFAOYSA-N -1 1 354.765 2.670 20 10 FFCDMM O=C1CNC(=O)N1c1cc(NCc2cc(Cl)c(F)cc2[O-])ccc1F ZINC000816596919 742045978 /nfs/dbraw/zinc/04/59/78/742045978.db2.gz WSEKRUYNSYZSPK-UHFFFAOYSA-N -1 1 367.739 2.992 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000829595940 745230706 /nfs/dbraw/zinc/23/07/06/745230706.db2.gz USZNEPAILDMUIN-VIFPVBQESA-N -1 1 364.339 2.630 20 10 FFCDMM O=C(NCCN1CCc2c(Cl)cccc2C1)c1c(F)ccc(O)c1[O-] ZINC000829897738 745276445 /nfs/dbraw/zinc/27/64/45/745276445.db2.gz KHWXDCRGTKSCPX-UHFFFAOYSA-N -1 1 364.804 2.678 20 10 FFCDMM CO[C@@H]([C@@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000836644790 746274600 /nfs/dbraw/zinc/27/46/00/746274600.db2.gz VUFZAPPZIMOUTH-OTYXRUKQSA-N -1 1 357.248 2.767 20 10 FFCDMM O=C([O-])CC[N@H+](Cc1cc(Br)ccc1[O-])C1CCOCC1 ZINC000843041810 747754584 /nfs/dbraw/zinc/75/45/84/747754584.db2.gz WHQLHAVTYPLIAE-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM O=C([O-])CC[N@@H+](Cc1cc(Br)ccc1[O-])C1CCOCC1 ZINC000843041810 747754593 /nfs/dbraw/zinc/75/45/93/747754593.db2.gz WHQLHAVTYPLIAE-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM CC(C)(C)OC(=O)C1(C)CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000844148811 747979073 /nfs/dbraw/zinc/97/90/73/747979073.db2.gz FTFYMNKYLLSOTG-UHFFFAOYSA-N -1 1 353.390 2.821 20 10 FFCDMM C[C@H]1CCc2ccccc2N1C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000854322836 750282927 /nfs/dbraw/zinc/28/29/27/750282927.db2.gz JFOWMVKYXCSFIS-LBPRGKRZSA-N -1 1 360.435 2.745 20 10 FFCDMM COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C)c1 ZINC000325548163 971226055 /nfs/dbraw/zinc/22/60/55/971226055.db2.gz USMDYTJIHZYESV-UHFFFAOYSA-N -1 1 371.798 2.862 20 10 FFCDMM O=C(Cc1ccsc1)N1CCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279109014 964522602 /nfs/dbraw/zinc/52/26/02/964522602.db2.gz ZCKHDWWMDPQFNV-UHFFFAOYSA-N -1 1 364.417 2.761 20 10 FFCDMM COc1ccc(O)c([C@H](C)NC(=O)c2c[n-]c3[nH+]c(C)ccc3c2=O)c1 ZINC000729536274 968250165 /nfs/dbraw/zinc/25/01/65/968250165.db2.gz YEKSRTUVYSYYSB-NSHDSACASA-N -1 1 353.378 2.849 20 10 FFCDMM COc1ccc(O)c([C@H](C)NC(=O)c2cnc3nc(C)ccc3c2[O-])c1 ZINC000729536274 968250178 /nfs/dbraw/zinc/25/01/78/968250178.db2.gz YEKSRTUVYSYYSB-NSHDSACASA-N -1 1 353.378 2.849 20 10 FFCDMM COc1c([O-])c(CN2CCn3nc(C(C)(C)C)cc3C2)ccc1[N+](=O)[O-] ZINC000896942278 973067053 /nfs/dbraw/zinc/06/70/53/973067053.db2.gz CQHYDAIYROCMPZ-UHFFFAOYSA-N -1 1 360.414 2.819 20 10 FFCDMM CO[C@H]1C[C@@H]2CN(Cc3ccc(F)c(F)c3[O-])Cc3cccnc3N2C1 ZINC000877690776 1014684976 /nfs/dbraw/zinc/68/49/76/1014684976.db2.gz HJULJWJMMHBNFN-CABCVRRESA-N -1 1 361.392 2.675 20 10 FFCDMM COc1ccc(O)c([C@@H](C)NC(=O)c2c(C)nc(C(C)(C)C)[n-]c2=O)c1 ZINC000157892940 984707160 /nfs/dbraw/zinc/70/71/60/984707160.db2.gz LZNOMCDXMFCMPG-SNVBAGLBSA-N -1 1 359.426 2.581 20 10 FFCDMM O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc([O-])c(O)c1 ZINC000916591210 989830886 /nfs/dbraw/zinc/83/08/86/989830886.db2.gz BHGIRMXAJVPOKQ-INIZCTEOSA-N -1 1 372.373 2.695 20 10 FFCDMM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)c3cccc1c23 ZINC000917711952 990265465 /nfs/dbraw/zinc/26/54/65/990265465.db2.gz FTDLAXOGNSGMLX-UHFFFAOYSA-N -1 1 368.370 2.935 20 10 FFCDMM C[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H](c2ccco2)C1 ZINC000846255902 1000246331 /nfs/dbraw/zinc/24/63/31/1000246331.db2.gz FYERVEHBTUZMRN-FZMZJTMJSA-N -1 1 356.382 2.699 20 10 FFCDMM Cc1oc(-c2ccccc2)nc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001147322432 1000879250 /nfs/dbraw/zinc/87/92/50/1000879250.db2.gz IIIYNSDIXHAMMT-UHFFFAOYSA-N -1 1 352.346 2.674 20 10 FFCDMM O=C(CNc1c2cc[nH]c2ncc1Br)c1ccc([O-])c(O)c1 ZINC001170314762 1003104738 /nfs/dbraw/zinc/10/47/38/1003104738.db2.gz HOPIRLLKMWXJEK-UHFFFAOYSA-N -1 1 362.183 2.983 20 10 FFCDMM O=C(CNc1nc(-c2ccncc2)nc2ccccc21)c1ccc([O-])c(O)c1 ZINC001170315671 1003106510 /nfs/dbraw/zinc/10/65/10/1003106510.db2.gz FXSMBXWDRBUBST-UHFFFAOYSA-N -1 1 372.384 2.820 20 10 FFCDMM O=C(CNc1cc(Cl)nc(CC(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC001170316592 1003106994 /nfs/dbraw/zinc/10/69/94/1003106994.db2.gz KYIVKHWCNYUIDS-UHFFFAOYSA-N -1 1 361.707 2.941 20 10 FFCDMM O=C(CNc1cnc2cccc(Br)n21)c1ccc([O-])c(O)c1 ZINC001170322671 1003109445 /nfs/dbraw/zinc/10/94/45/1003109445.db2.gz LFYVSPFCFJHKHM-UHFFFAOYSA-N -1 1 362.183 2.803 20 10 FFCDMM COc1ccc(C(=O)NC(C)(C)C)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170323036 1003111542 /nfs/dbraw/zinc/11/15/42/1003111542.db2.gz UROVNYWXCPOFJE-UHFFFAOYSA-N -1 1 372.421 2.930 20 10 FFCDMM CC1CCN(CCNS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])CC1 ZINC001251387731 1004257687 /nfs/dbraw/zinc/25/76/87/1004257687.db2.gz HJSMOLLRHQXTDM-UHFFFAOYSA-N -1 1 367.298 2.709 20 10 FFCDMM Cc1cc(NC(=O)c2ccc(O)c([O-])c2Cl)n(CC2CCOCC2)n1 ZINC001193219029 1004406326 /nfs/dbraw/zinc/40/63/26/1004406326.db2.gz FVDZCQAHDOHFGT-UHFFFAOYSA-N -1 1 365.817 2.935 20 10 FFCDMM O=C(NCCc1nc(-c2ccccc2)no1)c1ccc(O)c([O-])c1Cl ZINC001193236899 1004412387 /nfs/dbraw/zinc/41/23/87/1004412387.db2.gz SPLBXJNNWHVOMW-UHFFFAOYSA-N -1 1 359.769 2.774 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])ccc1C ZINC001195881539 1005067557 /nfs/dbraw/zinc/06/75/57/1005067557.db2.gz CFLZTCGNPSYOAM-UHFFFAOYSA-N -1 1 369.826 2.619 20 10 FFCDMM COC(=O)c1ccc(CS(=O)(=O)Nc2ccc([O-])c(Cl)c2)cc1 ZINC001201216781 1005185860 /nfs/dbraw/zinc/18/58/60/1005185860.db2.gz TZRTVKLKCASWLT-UHFFFAOYSA-N -1 1 355.799 2.774 20 10 FFCDMM COc1cc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)ccc1OC(C)C ZINC001187581701 1006162442 /nfs/dbraw/zinc/16/24/42/1006162442.db2.gz GRJFFBKKEQNRIT-UHFFFAOYSA-N -1 1 359.378 2.506 20 10 FFCDMM COc1ccc(-c2noc(-c3ccc([O-])c(CN4CCOCC4)c3)n2)cc1 ZINC001217056617 1032598842 /nfs/dbraw/zinc/59/88/42/1032598842.db2.gz MQILGVSCULMVNI-UHFFFAOYSA-N -1 1 367.405 2.950 20 10 FFCDMM COc1ccc(C[C@@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000827530500 1018424531 /nfs/dbraw/zinc/42/45/31/1018424531.db2.gz FXOUJHZTAJUEKK-LLVKDONJSA-N -1 1 363.385 2.863 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1cnc2c(c1)CCCC2 ZINC001121062479 1023589591 /nfs/dbraw/zinc/58/95/91/1023589591.db2.gz VBFZIKDUPVDQRH-UHFFFAOYSA-N -1 1 359.813 2.574 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2nc3ccccc3c(=O)[n-]2)cc1 ZINC000079406744 1024259709 /nfs/dbraw/zinc/25/97/09/1024259709.db2.gz ZKRXNIIDLIEIJE-UHFFFAOYSA-N -1 1 350.422 2.699 20 10 FFCDMM O=C(Nc1cnc2ccc(O)cc2c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155223063 1028631214 /nfs/dbraw/zinc/63/12/14/1028631214.db2.gz ZDXPUJKATOYVQB-UHFFFAOYSA-N -1 1 364.313 2.710 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1ccccc1F ZINC000782549597 1029742795 /nfs/dbraw/zinc/74/27/95/1029742795.db2.gz OOBGSZQGTYRNJZ-UHFFFAOYSA-N -1 1 370.336 2.771 20 10 FFCDMM CCc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1ccccc1 ZINC000782691244 1029785404 /nfs/dbraw/zinc/78/54/04/1029785404.db2.gz AAHLDGSGFKHMIF-UHFFFAOYSA-N -1 1 366.373 2.886 20 10 FFCDMM CN(C(=O)C1CC1)c1ccccc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783028300 1029882037 /nfs/dbraw/zinc/88/20/37/1029882037.db2.gz YEIVDYJRMKZGHB-UHFFFAOYSA-N -1 1 369.373 2.510 20 10 FFCDMM O=C([O-])[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1=O ZINC000840998084 1029967561 /nfs/dbraw/zinc/96/75/61/1029967561.db2.gz DGBHNNRNBKITQL-RDJZCZTQSA-N -1 1 374.824 2.562 20 10 FFCDMM C[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc([N+](=O)[O-])cc1F ZINC000784696760 1030763506 /nfs/dbraw/zinc/76/35/06/1030763506.db2.gz TXDMRKLPITYJOE-SECBINFHSA-N -1 1 363.297 2.675 20 10 FFCDMM CC[C@H](C)N1C[C@@]2(F)CN(Cc3c([O-])ccc(F)c3F)C[C@@]2(F)C1=O ZINC001277097886 1034518970 /nfs/dbraw/zinc/51/89/70/1034518970.db2.gz MEPCGNXXSYXOLO-PZDALLCQSA-N -1 1 360.351 2.543 20 10 FFCDMM CCOc1ccc(N2CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)cc1 ZINC001138929730 1034821012 /nfs/dbraw/zinc/82/10/12/1034821012.db2.gz CTZXZLLYLCPCFF-UHFFFAOYSA-N -1 1 370.449 2.871 20 10 FFCDMM COc1cnc(OC2CCN(Cc3c(F)ccc(F)c3[O-])CC2)nc1 ZINC001139689736 1035198885 /nfs/dbraw/zinc/19/88/85/1035198885.db2.gz LAOVAUQMKMWHJX-UHFFFAOYSA-N -1 1 351.353 2.512 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(Cl)c([O-])cc2O)[C@H]2C[C@H]21 ZINC001232258132 1035529115 /nfs/dbraw/zinc/52/91/15/1035529115.db2.gz QTMIGVNJOWNLOE-QWHCGFSZSA-N -1 1 354.834 2.945 20 10 FFCDMM CO[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1N(C)Cc1c([O-])cc(F)cc1F ZINC001140585508 1035670539 /nfs/dbraw/zinc/67/05/39/1035670539.db2.gz LRJUXMNTJHIRAA-HOCLYGCPSA-N -1 1 372.412 2.737 20 10 FFCDMM O=C(c1ccc([O-])cc1)c1ccc(O)c(O)c1O[C@@H]1COc2cnccc21 ZINC001228111494 1035938936 /nfs/dbraw/zinc/93/89/36/1035938936.db2.gz UXFSNYVNPMJHJA-QGZVFWFLSA-N -1 1 365.341 2.942 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001233030878 1036271498 /nfs/dbraw/zinc/27/14/98/1036271498.db2.gz QQBSMGVTPNNIJP-CYBMUJFWSA-N -1 1 373.266 2.590 20 10 FFCDMM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1c([O-])ccc(F)c1F ZINC001233336400 1036543972 /nfs/dbraw/zinc/54/39/72/1036543972.db2.gz KJFJSEJUBJWXRL-QZTJIDSGSA-N -1 1 363.360 2.786 20 10 FFCDMM O=C(Cc1ccsc1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233336309 1036544451 /nfs/dbraw/zinc/54/44/51/1036544451.db2.gz HKFWODAOXWIUKR-UHFFFAOYSA-N -1 1 352.406 2.619 20 10 FFCDMM C[C@@H]1COCC[C@H]1Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229199035 1036549044 /nfs/dbraw/zinc/54/90/44/1036549044.db2.gz RANOQJJYTVDQCE-QMTHXVAHSA-N -1 1 354.358 2.677 20 10 FFCDMM CCOC(=O)[C@H](C)[C@H](Oc1cc([O-])c(O)cc1C(C)=O)C(F)(F)F ZINC001234473659 1037051026 /nfs/dbraw/zinc/05/10/26/1037051026.db2.gz JUFITZVAKZGXDA-UHLUBPPHSA-N -1 1 350.289 2.809 20 10 FFCDMM CC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(C(=O)[O-])ccc1O ZINC001231564982 1037689640 /nfs/dbraw/zinc/68/96/40/1037689640.db2.gz MNBRIEAVRAIQRE-HNNXBMFYSA-N -1 1 364.442 2.922 20 10 FFCDMM CC(C)CN1C(=O)COCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001277995148 1038181236 /nfs/dbraw/zinc/18/12/36/1038181236.db2.gz INEISOMOKRJBBA-UHFFFAOYSA-N -1 1 373.280 2.768 20 10 FFCDMM O=S(=O)(Nc1cnnc(Cl)c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251388071 1039105161 /nfs/dbraw/zinc/10/51/61/1039105161.db2.gz ZSIGKLOOUXRBIO-UHFFFAOYSA-N -1 1 354.602 2.943 20 10 FFCDMM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])n1[nH]c(Cc2ccccc2)cc1=O ZINC001245924741 1039148212 /nfs/dbraw/zinc/14/82/12/1039148212.db2.gz HCUKLOJEALHFJA-FQEVSTJZSA-N -1 1 368.389 2.633 20 10 FFCDMM CCN(C(=O)[C@@]12C[C@@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl)C(C)C ZINC001279509161 1043205886 /nfs/dbraw/zinc/20/58/86/1043205886.db2.gz WNFIYWFONVZZHE-BBATYDOGSA-N -1 1 366.845 2.613 20 10 FFCDMM [O-]c1c(I)cccc1CN1Cc2ccncc2C1 ZINC001237780520 1043354172 /nfs/dbraw/zinc/35/41/72/1043354172.db2.gz PETZMBSSJOPNGE-UHFFFAOYSA-N -1 1 352.175 2.908 20 10 FFCDMM CCN(C)C(=O)CO[C@H]1CCC[N@@H+](Cc2cc(F)cc(Cl)c2[O-])C1 ZINC001237800885 1043365304 /nfs/dbraw/zinc/36/53/04/1043365304.db2.gz DESGCRBCKQGYHK-AWEZNQCLSA-N -1 1 358.841 2.644 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2onc(Cn3ccnc3)c2C1 ZINC001237936887 1043444675 /nfs/dbraw/zinc/44/46/75/1043444675.db2.gz HSNWAFIVQAWWQQ-UHFFFAOYSA-N -1 1 362.792 2.976 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@H]1c1ccco1)cc2=O ZINC000738703650 1048693976 /nfs/dbraw/zinc/69/39/76/1048693976.db2.gz QIRKOABDHBWNAE-AWEZNQCLSA-N -1 1 356.382 2.843 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncc2c(F)cccn21 ZINC001297441770 1050168303 /nfs/dbraw/zinc/16/83/03/1050168303.db2.gz XLBJXJGFANSSFL-UHFFFAOYSA-N -1 1 364.174 2.872 20 10 FFCDMM CC(C)c1csc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001340512201 1050906061 /nfs/dbraw/zinc/90/60/61/1050906061.db2.gz YJQHHTPERYPHHP-UHFFFAOYSA-N -1 1 353.831 2.880 20 10 FFCDMM O=C(COc1ccc2ccc(=O)oc2c1)NCc1cccc(Cl)c1[O-] ZINC001305069927 1051795068 /nfs/dbraw/zinc/79/50/68/1051795068.db2.gz VAXZMGNGGLSBMQ-UHFFFAOYSA-N -1 1 359.765 2.847 20 10 FFCDMM COc1ccc(N2CCCN(C(=O)c3cc(C)cc(C=O)c3[O-])CC2)cc1 ZINC001464349284 1062561114 /nfs/dbraw/zinc/56/11/14/1062561114.db2.gz MISNNKAPMONEGA-UHFFFAOYSA-N -1 1 368.433 2.874 20 10 FFCDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1ccccc1O ZINC001471193983 1064597191 /nfs/dbraw/zinc/59/71/91/1064597191.db2.gz AJCUWPLEMBVIIK-LBPRGKRZSA-N -1 1 364.405 2.678 20 10 FFCDMM COc1ccc(N2CC[C@H](NC(=O)c3ncc4ccccc4c3[O-])C2)cc1 ZINC001584228911 1079325078 /nfs/dbraw/zinc/32/50/78/1079325078.db2.gz ASBDOVITERLSHY-HNNXBMFYSA-N -1 1 363.417 2.958 20 10 FFCDMM O=C(NCCO)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1Cl ZINC001560519525 1076277675 /nfs/dbraw/zinc/27/76/75/1076277675.db2.gz GUGRXSVVSSNPIF-UHFFFAOYSA-N -1 1 356.756 2.658 20 10 FFCDMM Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001562008169 1076464662 /nfs/dbraw/zinc/46/46/62/1076464662.db2.gz IRQUILYKRHFIKO-UHFFFAOYSA-N -1 1 356.787 2.741 20 10 FFCDMM O=S(=O)(C[C@H]1CCCC2(CCC2)O1)NCc1cccc(Cl)c1[O-] ZINC001562008283 1076464818 /nfs/dbraw/zinc/46/48/18/1076464818.db2.gz NXNAGZKOVSTRRY-CYBMUJFWSA-N -1 1 359.875 2.957 20 10 FFCDMM CC(C)(C)OC(=O)NCCC[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001590194108 1081084813 /nfs/dbraw/zinc/08/48/13/1081084813.db2.gz DHYOWYLSUIHNKP-UHFFFAOYSA-N -1 1 372.849 2.847 20 10 FFCDMM CC(C)(C)OC(=O)NCCC[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC001590194108 1081084820 /nfs/dbraw/zinc/08/48/20/1081084820.db2.gz DHYOWYLSUIHNKP-UHFFFAOYSA-N -1 1 372.849 2.847 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@H]2OCC[C@@H]21 ZINC000277489756 510964643 /nfs/dbraw/zinc/96/46/43/510964643.db2.gz QIMJJUUEBBNALL-MRVWCRGKSA-N -1 1 369.259 2.912 20 10 FFCDMM O=C([N-]CC1CC[NH+](Cc2cccc(Cl)c2[O-])CC1)C(F)(F)F ZINC000281237407 511770145 /nfs/dbraw/zinc/77/01/45/511770145.db2.gz LNGHEPNJDCEBCA-UHFFFAOYSA-N -1 1 350.768 2.936 20 10 FFCDMM Cc1nn(C)c2ncc(C[N@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cc12 ZINC000738918535 600314839 /nfs/dbraw/zinc/31/48/39/600314839.db2.gz OCQCMTMKXRGREM-UHFFFAOYSA-N -1 1 374.828 2.723 20 10 FFCDMM Cc1nn(C)c2ncc(C[N@@H+](CC(=O)[O-])Cc3cc(Cl)ccc3[O-])cc12 ZINC000738918535 600314840 /nfs/dbraw/zinc/31/48/40/600314840.db2.gz OCQCMTMKXRGREM-UHFFFAOYSA-N -1 1 374.828 2.723 20 10 FFCDMM C[C@@H](c1ccccc1)N(CC(=O)NCCC(=O)[O-])Cc1ccccc1O ZINC000827948801 601761982 /nfs/dbraw/zinc/76/19/82/601761982.db2.gz DXZYTLSADQRQKD-HNNXBMFYSA-N -1 1 356.422 2.546 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](CNC(=O)[O-])C[C@@H]2C)c1 ZINC000833897372 605912904 /nfs/dbraw/zinc/91/29/04/605912904.db2.gz JBUSVNVOCBQEQV-WDEREUQCSA-N -1 1 357.248 2.941 20 10 FFCDMM Cn1ccnc1-c1nnc(NCc2cccc(Br)c2[O-])o1 ZINC000195028915 729527515 /nfs/dbraw/zinc/52/75/15/729527515.db2.gz NKDVRFJVZUJIKV-UHFFFAOYSA-N -1 1 350.176 2.550 20 10 FFCDMM CCc1noc(C[C@]2(O)CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000856595182 730346679 /nfs/dbraw/zinc/34/66/79/730346679.db2.gz PSESZXAMRITKGS-QGZVFWFLSA-N -1 1 369.824 2.700 20 10 FFCDMM O=C(CCCOC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000867830503 731231372 /nfs/dbraw/zinc/23/13/72/731231372.db2.gz AMTCSIRRUMBFPX-UHFFFAOYSA-N -1 1 372.259 2.747 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1[C@H]1CCCO1 ZINC000867830960 731231647 /nfs/dbraw/zinc/23/16/47/731231647.db2.gz MNGRCJBDPDDOFB-GFCCVEGCSA-N -1 1 366.215 2.659 20 10 FFCDMM CCOC(=O)[C@@H]1CSCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781894033 738668861 /nfs/dbraw/zinc/66/88/61/738668861.db2.gz DKAPTHCFWSVRJW-ZDUSSCGKSA-N -1 1 374.300 2.944 20 10 FFCDMM CC[C@@H](C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757896 734336285 /nfs/dbraw/zinc/33/62/85/734336285.db2.gz MFDQIAKQSJBDCU-MFKMUULPSA-N -1 1 356.875 2.609 20 10 FFCDMM CC[C@@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757897 734336338 /nfs/dbraw/zinc/33/63/38/734336338.db2.gz MFDQIAKQSJBDCU-ZWNOBZJWSA-N -1 1 356.875 2.609 20 10 FFCDMM CC(C)(C)C(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890758065 734336401 /nfs/dbraw/zinc/33/64/01/734336401.db2.gz QQHGEBORSSBRBJ-LBPRGKRZSA-N -1 1 356.875 2.609 20 10 FFCDMM C[C@@H]1C[C@]2(CC[C@H](CNC(=O)NCc3cccc(Cl)c3[O-])O2)CO1 ZINC000896521720 735172378 /nfs/dbraw/zinc/17/23/78/735172378.db2.gz LFIYDIXWWUKBRF-CJBNDPTMSA-N -1 1 354.834 2.571 20 10 FFCDMM C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)NCc3cccc(Cl)c3[O-])O2)[C@H]1C ZINC000896522647 735172729 /nfs/dbraw/zinc/17/27/29/735172729.db2.gz KQAHOCFORNQFBC-PZOITXESSA-N -1 1 368.861 2.817 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000896581538 735175860 /nfs/dbraw/zinc/17/58/60/735175860.db2.gz ZWRGFIJOESYZLS-GXSJLCMTSA-N -1 1 352.740 2.955 20 10 FFCDMM O=C(NCCc1nccs1)NCc1cccc(Br)c1[O-] ZINC000764768209 737047612 /nfs/dbraw/zinc/04/76/12/737047612.db2.gz GYMLQHJTWVNBNH-UHFFFAOYSA-N -1 1 356.245 2.653 20 10 FFCDMM CO[C@@H]1CCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764807858 737052161 /nfs/dbraw/zinc/05/21/61/737052161.db2.gz WNDXXURQMPWAKD-GXFFZTMASA-N -1 1 357.248 2.769 20 10 FFCDMM COc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765478104 737122499 /nfs/dbraw/zinc/12/24/99/737122499.db2.gz INIGKDRORQXOMR-UHFFFAOYSA-N -1 1 366.215 2.558 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1cccnc1 ZINC000765729577 737150093 /nfs/dbraw/zinc/15/00/93/737150093.db2.gz OYKRULYMMPONPF-UHFFFAOYSA-N -1 1 373.210 2.870 20 10 FFCDMM O=C(Cc1ccc2c(c1)OCO2)NCc1cccc(Br)c1[O-] ZINC000765750261 737153625 /nfs/dbraw/zinc/15/36/25/737153625.db2.gz DWNFUXALHLTACT-UHFFFAOYSA-N -1 1 364.195 2.742 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2c1OCO2 ZINC000765751222 737153634 /nfs/dbraw/zinc/15/36/34/737153634.db2.gz BABZDCMEOQOUIS-UHFFFAOYSA-N -1 1 350.168 2.813 20 10 FFCDMM O=C(COCc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000765751243 737153762 /nfs/dbraw/zinc/15/37/62/737153762.db2.gz BWMLZWZICMSKTE-UHFFFAOYSA-N -1 1 350.212 2.988 20 10 FFCDMM CCn1c(=O)oc2cc(S(=O)(=O)[N-]c3ccc(O)c(Cl)c3)ccc21 ZINC000767472498 737329290 /nfs/dbraw/zinc/32/92/90/737329290.db2.gz HJCIIVFUVFHLLE-UHFFFAOYSA-N -1 1 368.798 2.774 20 10 FFCDMM COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)c1ccc([O-])c(F)c1 ZINC000768387849 737418518 /nfs/dbraw/zinc/41/85/18/737418518.db2.gz CLTMCERQMNSDFC-UHFFFAOYSA-N -1 1 367.760 2.706 20 10 FFCDMM Cc1cccc2c1CCCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769860347 737574631 /nfs/dbraw/zinc/57/46/31/737574631.db2.gz WOPPMZLARWGMBW-UHFFFAOYSA-N -1 1 360.435 2.665 20 10 FFCDMM O=C(NCc1c(O)ccc2c1CCCC2)c1ccc2n[n-]c(=S)n2c1 ZINC000774432692 737989252 /nfs/dbraw/zinc/98/92/52/737989252.db2.gz LFDMBZCJZIZLGV-UHFFFAOYSA-N -1 1 354.435 2.532 20 10 FFCDMM Cn1nc([C@H]2CCCOC2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000931155101 739219946 /nfs/dbraw/zinc/21/99/46/739219946.db2.gz LRJWHMBOWIMGSA-LBPRGKRZSA-N -1 1 364.833 2.995 20 10 FFCDMM O=C(NCc1cccnc1OCC(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC000789953068 739399405 /nfs/dbraw/zinc/39/94/05/739399405.db2.gz LOGWMALCLWPPFQ-UHFFFAOYSA-N -1 1 360.263 2.503 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000790410727 739449796 /nfs/dbraw/zinc/44/97/96/739449796.db2.gz BLNZJIDPIRGUOS-UHFFFAOYSA-N -1 1 365.407 2.609 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]([C@@H]1CCOC1)C(F)(F)F ZINC000932982391 739548989 /nfs/dbraw/zinc/54/89/89/739548989.db2.gz JEGQOGBGBUVABU-SKDRFNHKSA-N -1 1 352.740 2.812 20 10 FFCDMM O=C(NCCC[C@@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000836647407 746275378 /nfs/dbraw/zinc/27/53/78/746275378.db2.gz UAFRDMUMJSXKDX-LLVKDONJSA-N -1 1 357.248 2.771 20 10 FFCDMM C[C@@H]1CCn2ncc(C(=O)NCc3cccc(Br)c3[O-])c2C1 ZINC000843866096 747915397 /nfs/dbraw/zinc/91/53/97/747915397.db2.gz CXORIWBPWKCTKA-SNVBAGLBSA-N -1 1 364.243 2.864 20 10 FFCDMM COc1ccc(-n2cnnc2SCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000849185620 749066904 /nfs/dbraw/zinc/06/69/04/749066904.db2.gz HNUKWHUNHVNBOL-UHFFFAOYSA-N -1 1 357.391 2.662 20 10 FFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2C)cc1 ZINC000055639059 845334450 /nfs/dbraw/zinc/33/44/50/845334450.db2.gz YJZXVYJROSMBKY-UHFFFAOYSA-N -1 1 372.443 2.697 20 10 FFCDMM Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000392921348 845856416 /nfs/dbraw/zinc/85/64/16/845856416.db2.gz WXYWHIUQJJKMJO-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM COC1CCN(c2ccc(C[N@H+]3Cc4nc(C)[nH]c(=O)c4C3)cc2)CC1 ZINC000931314153 971891710 /nfs/dbraw/zinc/89/17/10/971891710.db2.gz WSNIJTJIHWNNQL-UHFFFAOYSA-N -1 1 354.454 2.622 20 10 FFCDMM CC(C)NC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782816739 969689589 /nfs/dbraw/zinc/68/95/89/969689589.db2.gz WHQCYZZORIYQDN-UHFFFAOYSA-N -1 1 372.377 2.667 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@H]1CN(Cc2ccc(F)c(F)c2[O-])CCCO1 ZINC000877578486 1014632371 /nfs/dbraw/zinc/63/23/71/1014632371.db2.gz GCRXLOWTHMOLOQ-ZDUSSCGKSA-N -1 1 372.412 2.786 20 10 FFCDMM O=C(CNc1ncc(OCc2ccccc2)cn1)c1ccc([O-])c(O)c1 ZINC001170314656 1003104416 /nfs/dbraw/zinc/10/44/16/1003104416.db2.gz XBUYZOMYICKNNX-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM COC(=O)c1cccc2cnc(NCC(=O)c3ccc([O-])c(O)c3)cc21 ZINC001170316408 1003105976 /nfs/dbraw/zinc/10/59/76/1003105976.db2.gz PWCCNXZSDJELAI-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2ccc3n[nH]cc3c2)CC1 ZINC001193232455 1004411190 /nfs/dbraw/zinc/41/11/90/1004411190.db2.gz KHFBPZZVSRLGEO-UHFFFAOYSA-N -1 1 372.812 2.590 20 10 FFCDMM COc1cc(CCNC(=O)c2ccc(O)c([O-])c2Cl)cc(OC)c1 ZINC001193236673 1004412683 /nfs/dbraw/zinc/41/26/83/1004412683.db2.gz MIYSJPOQRRVOCV-UHFFFAOYSA-N -1 1 351.786 2.741 20 10 FFCDMM O=C1c2ccccc2C(=O)c2c([N-]S(=O)(=O)CC3CCC3)ccc(O)c21 ZINC001193515381 1004508345 /nfs/dbraw/zinc/50/83/45/1004508345.db2.gz NDECOZJXSMKSRR-UHFFFAOYSA-N -1 1 371.414 2.709 20 10 FFCDMM Cc1cccc(C(=O)NC2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000881329133 1006045029 /nfs/dbraw/zinc/04/50/29/1006045029.db2.gz PRAPAJCLWKQDFJ-UHFFFAOYSA-N -1 1 372.396 2.580 20 10 FFCDMM CCc1[nH]ncc1C(=O)Nc1cc2c(cc1[O-])C(=O)c1ccccc1C2=O ZINC001190138340 1007466988 /nfs/dbraw/zinc/46/69/88/1007466988.db2.gz MVIMEFPSCLVWLS-UHFFFAOYSA-N -1 1 361.357 2.705 20 10 FFCDMM CC(C)CN1CC[C@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274706598 1011603809 /nfs/dbraw/zinc/60/38/09/1011603809.db2.gz QFBUSINBCSCHFY-GOSISDBHSA-N -1 1 366.845 2.614 20 10 FFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc2c(c1)CCCN2C ZINC000081617163 1024870670 /nfs/dbraw/zinc/87/06/70/1024870670.db2.gz KPNIZFZAFUEBDR-UHFFFAOYSA-N -1 1 368.481 2.688 20 10 FFCDMM C[C@@H]1CCCN(C(=O)c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc2)C1 ZINC001159278827 1027332818 /nfs/dbraw/zinc/33/28/18/1027332818.db2.gz CSMALNSRLSSTMF-CYBMUJFWSA-N -1 1 369.421 2.660 20 10 FFCDMM O=C(NC1CC2(C1)CC(F)(F)C2)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234212 1028639641 /nfs/dbraw/zinc/63/96/41/1028639641.db2.gz LLOIOYHPRUPCGZ-UHFFFAOYSA-N -1 1 351.305 2.512 20 10 FFCDMM O=C(NCc1cncc2ccccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235767 1028641881 /nfs/dbraw/zinc/64/18/81/1028641881.db2.gz RVMDYXZGKLJONL-UHFFFAOYSA-N -1 1 362.341 2.682 20 10 FFCDMM Cc1nn(CC(C)C)c(C)c1CCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782186841 1029604405 /nfs/dbraw/zinc/60/44/05/1029604405.db2.gz RZDCETWBHLUONF-UHFFFAOYSA-N -1 1 374.437 2.926 20 10 FFCDMM C[C@@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782784168 1029819093 /nfs/dbraw/zinc/81/90/93/1029819093.db2.gz SRUGSKDRRAKWPQ-IAQYHMDHSA-N -1 1 369.373 2.732 20 10 FFCDMM C[C@H](CC(=O)c1ccccc1F)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783903369 1030328205 /nfs/dbraw/zinc/32/82/05/1030328205.db2.gz PUALKPICCLPSHR-LLVKDONJSA-N -1 1 360.337 2.872 20 10 FFCDMM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001203575243 1030768657 /nfs/dbraw/zinc/76/86/57/1030768657.db2.gz HOZOBJIUXXJKMS-MGPQQGTHSA-N -1 1 359.253 2.519 20 10 FFCDMM CN(C)C(=O)[C@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001203575243 1030768671 /nfs/dbraw/zinc/76/86/71/1030768671.db2.gz HOZOBJIUXXJKMS-MGPQQGTHSA-N -1 1 359.253 2.519 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](O)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203648276 1030803463 /nfs/dbraw/zinc/80/34/63/1030803463.db2.gz HYDPLDRPMHNELO-KBPBESRZSA-N -1 1 356.850 2.506 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829817191 1033354089 /nfs/dbraw/zinc/35/40/89/1033354089.db2.gz KXQVKRGALZVTDP-QWRGUYRKSA-N -1 1 368.405 2.803 20 10 FFCDMM O=C1CC[C@@H]2[C@@H](CCN2Cc2ccc(F)c(F)c2[O-])N1CC(F)(F)F ZINC001276945243 1033712059 /nfs/dbraw/zinc/71/20/59/1033712059.db2.gz JLOQUIMMYHWDNW-VXGBXAGGSA-N -1 1 364.314 2.798 20 10 FFCDMM [O-]c1c(F)cccc1CN1CCO[C@H]2[C@@H](Oc3ncccc3F)CC[C@@H]21 ZINC001138126620 1033810107 /nfs/dbraw/zinc/81/01/07/1033810107.db2.gz FTENNIXSPYHYPF-XYJFISCASA-N -1 1 362.376 2.876 20 10 FFCDMM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2cc(F)c(Cl)cc2[O-])C1=O ZINC001276967610 1033864197 /nfs/dbraw/zinc/86/41/97/1033864197.db2.gz RJDIMKVGNAKTJI-ZMZPIMSZSA-N -1 1 368.836 2.729 20 10 FFCDMM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3c([O-])cc(F)cc3F)O2)n1 ZINC001140581516 1035660499 /nfs/dbraw/zinc/66/04/99/1035660499.db2.gz YAUAGUFXHYLAMT-BMFZPTHFSA-N -1 1 351.353 2.856 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001233331953 1036536830 /nfs/dbraw/zinc/53/68/30/1036536830.db2.gz RQWYSVNAUKIGRL-UHFFFAOYSA-N -1 1 362.376 2.717 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CN3CCC1CC3)C(=O)c1ccccc1C2=O ZINC001229829354 1036922440 /nfs/dbraw/zinc/92/24/40/1036922440.db2.gz RFHSERJMNZKKLC-SFHVURJKSA-N -1 1 363.413 2.949 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@@H]1CCCN2Cc1ccc(C(=O)[O-])cc1O ZINC001231450481 1037589453 /nfs/dbraw/zinc/58/94/53/1037589453.db2.gz RVZLGSJHYLTCEW-GJZGRUSLSA-N -1 1 362.426 2.674 20 10 FFCDMM NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454884 1037597481 /nfs/dbraw/zinc/59/74/81/1037597481.db2.gz JZEOIORHDVOJAT-IEBWSBKVSA-N -1 1 368.433 2.714 20 10 FFCDMM NC(=O)[C@H](c1ccccc1)[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454884 1037597485 /nfs/dbraw/zinc/59/74/85/1037597485.db2.gz JZEOIORHDVOJAT-IEBWSBKVSA-N -1 1 368.433 2.714 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1ccc(C(=O)[O-])cc1O ZINC001231454613 1037598409 /nfs/dbraw/zinc/59/84/09/1037598409.db2.gz SQIBZOYVAPFDLA-CHWSQXEVSA-N -1 1 364.442 2.920 20 10 FFCDMM Cc1cc(Br)c(O)c(C[N@H+]2CC[C@@H](Oc3ncccn3)C2)c1 ZINC001236671727 1038185366 /nfs/dbraw/zinc/18/53/66/1038185366.db2.gz WPFITEVZHMIWAU-CYBMUJFWSA-N -1 1 364.243 2.906 20 10 FFCDMM COc1ccc(CN2CC3(C2)CN(c2ccccc2)C3=O)c([O-])c1Cl ZINC001236808463 1038281531 /nfs/dbraw/zinc/28/15/31/1038281531.db2.gz BETKQWOZJOYUST-UHFFFAOYSA-N -1 1 358.825 2.903 20 10 FFCDMM COc1ccc(CN2CCC[C@@H](NC(=O)C3CCC3)C2)c([O-])c1Cl ZINC001236810675 1038286287 /nfs/dbraw/zinc/28/62/87/1038286287.db2.gz XMQITBNQVLRIEZ-CQSZACIVSA-N -1 1 352.862 2.935 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCN[C@H](C(F)(F)F)C2)c1 ZINC001236997775 1038403026 /nfs/dbraw/zinc/40/30/26/1038403026.db2.gz VNTMDRCBXARGPH-NSHDSACASA-N -1 1 353.182 2.799 20 10 FFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1C[C@](O)(C(F)(F)F)C[C@H]1CO ZINC001237078580 1038438416 /nfs/dbraw/zinc/43/84/16/1038438416.db2.gz UWTVWZXBJSQNOU-MADCSZMMSA-N -1 1 360.159 2.559 20 10 FFCDMM [O-]c1ccc(F)c(Cl)c1CN1CCc2onc(Cn3ccnc3)c2C1 ZINC001237124807 1038451126 /nfs/dbraw/zinc/45/11/26/1038451126.db2.gz SLSBOQQWZZNYLV-UHFFFAOYSA-N -1 1 362.792 2.976 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1COc2cc(F)ccc2C1 ZINC001253292767 1040104557 /nfs/dbraw/zinc/10/45/57/1040104557.db2.gz RAEOWAISIVFCCP-ZDUSSCGKSA-N -1 1 350.777 2.988 20 10 FFCDMM COc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1OC ZINC001214002761 1041153488 /nfs/dbraw/zinc/15/34/88/1041153488.db2.gz CTKWHWQWAUJKNM-UHFFFAOYSA-N -1 1 357.815 2.541 20 10 FFCDMM CC[C@@H](C)N1CC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)OCC1=O ZINC001276743429 1042057411 /nfs/dbraw/zinc/05/74/11/1042057411.db2.gz AEJKDUQMTDSEGJ-GFCCVEGCSA-N -1 1 372.387 2.623 20 10 FFCDMM CC[C@H](C)N1C(=O)COCC12CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001276744026 1042069669 /nfs/dbraw/zinc/06/96/69/1042069669.db2.gz KQOSJGYTGUGJDR-LBPRGKRZSA-N -1 1 372.387 2.623 20 10 FFCDMM [O-]c1c(F)cc(Cl)cc1CN1CCn2cc(CN3CCCC3)nc2C1 ZINC001237618722 1043275480 /nfs/dbraw/zinc/27/54/80/1043275480.db2.gz LDSOMZFBBGIMLO-UHFFFAOYSA-N -1 1 364.852 2.993 20 10 FFCDMM COC[C@@H]1CCCC[N@H+]1Cc1cccc(I)c1O ZINC001237776756 1043351742 /nfs/dbraw/zinc/35/17/42/1043351742.db2.gz LBIJELHRFIVKKL-LBPRGKRZSA-N -1 1 361.223 2.998 20 10 FFCDMM COC(=O)c1cc(CNC(=O)NCc2cccc(Cl)c2[O-])oc1C ZINC001311584896 1043945043 /nfs/dbraw/zinc/94/50/43/1043945043.db2.gz ZBMPHZJPVZXOSV-UHFFFAOYSA-N -1 1 352.774 2.733 20 10 FFCDMM C[C@H]1c2nc(C(=O)NC(C)(C)C)cn2CCN1Cc1c([O-])cccc1F ZINC001280007094 1044077885 /nfs/dbraw/zinc/07/78/85/1044077885.db2.gz YMRWXPLVWGPTBP-LBPRGKRZSA-N -1 1 360.433 2.833 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(O)(Cc2ccccc2F)CC1 ZINC001325196718 1046412654 /nfs/dbraw/zinc/41/26/54/1046412654.db2.gz FVFIDCNFZGVMQF-UHFFFAOYSA-N -1 1 363.360 2.586 20 10 FFCDMM COc1cc2[n-]cc(C(=O)N[C@@H](C)c3ccccc3O)c(=O)c2c(OC)c1 ZINC001454817348 1059631256 /nfs/dbraw/zinc/63/12/56/1059631256.db2.gz ADQPEGBPDYJBGX-NSHDSACASA-N -1 1 368.389 2.742 20 10 FFCDMM O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1c(F)ccc(O)c1[O-] ZINC001457666696 1060420509 /nfs/dbraw/zinc/42/05/09/1060420509.db2.gz WULYEVTZOBOBOC-UHFFFAOYSA-N -1 1 363.732 2.870 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C(C)(C)C1 ZINC001458020791 1060491186 /nfs/dbraw/zinc/49/11/86/1060491186.db2.gz CUHDBNHGQHKEBX-GFCCVEGCSA-N -1 1 368.405 2.612 20 10 FFCDMM CCOC(=O)[C@@H]1CN(Cc2ccc(F)c(F)c2[O-])C[C@H]1C(F)(F)F ZINC001462553865 1061670431 /nfs/dbraw/zinc/67/04/31/1061670431.db2.gz FIMUQEXZLODMSB-NXEZZACHSA-N -1 1 353.287 2.844 20 10 FFCDMM COC(=O)c1cc(C)ccc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001464791388 1062824838 /nfs/dbraw/zinc/82/48/38/1062824838.db2.gz RFLKOZWMWXAXAA-UHFFFAOYSA-N -1 1 369.826 2.619 20 10 FFCDMM CCNC(=O)c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001467877321 1063874413 /nfs/dbraw/zinc/87/44/13/1063874413.db2.gz QPJRFKFAKPZSMV-UHFFFAOYSA-N -1 1 361.829 2.795 20 10 FFCDMM CS(=O)(=O)Cc1cccc(C(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001558757043 1076070373 /nfs/dbraw/zinc/07/03/73/1076070373.db2.gz MMNBXJRULWBMNA-UHFFFAOYSA-N -1 1 353.827 2.520 20 10 FFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)sc2C)cc1 ZINC000055639109 506809723 /nfs/dbraw/zinc/80/97/23/506809723.db2.gz PLCNUEKHIMANGJ-UHFFFAOYSA-N -1 1 374.509 2.927 20 10 FFCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1c([O-])cccc1F ZINC000186688930 509855094 /nfs/dbraw/zinc/85/50/94/509855094.db2.gz CCJRCCNHQGVZRB-UHFFFAOYSA-N -1 1 358.413 2.670 20 10 FFCDMM C[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277604185 510967554 /nfs/dbraw/zinc/96/75/54/510967554.db2.gz URGHODSFFVQAMP-VIFPVBQESA-N -1 1 373.247 2.684 20 10 FFCDMM COC(=O)CCCCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000278464493 510994310 /nfs/dbraw/zinc/99/43/10/510994310.db2.gz VYMICIHCOLMLJR-UHFFFAOYSA-N -1 1 373.247 2.687 20 10 FFCDMM Cc1cc(Cl)cc(CN2CCC(S(=O)(=O)N3CCCC3)CC2)c1O ZINC000282801564 511116308 /nfs/dbraw/zinc/11/63/08/511116308.db2.gz RYNWNTYNZQZXEH-UHFFFAOYSA-N -1 1 372.918 2.744 20 10 FFCDMM CN(C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1)C(=O)OC(C)(C)C ZINC000294785051 511176980 /nfs/dbraw/zinc/17/69/80/511176980.db2.gz CXPULURJQPDNLW-LLVKDONJSA-N -1 1 368.405 2.566 20 10 FFCDMM C[C@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000295314533 511359854 /nfs/dbraw/zinc/35/98/54/511359854.db2.gz WAGYUNRXPJSHPG-WDEREUQCSA-N -1 1 368.405 2.755 20 10 FFCDMM CCOC(=O)c1n[n-]c(C2CC[NH+](Cc3cccc(Cl)c3[O-])CC2)n1 ZINC000376042016 512631406 /nfs/dbraw/zinc/63/14/06/512631406.db2.gz BOQXWQCHELUGCB-UHFFFAOYSA-N -1 1 364.833 2.720 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823504931 599312564 /nfs/dbraw/zinc/31/25/64/599312564.db2.gz VSRDFOOSBLBLSR-KPKJPENVSA-N -1 1 373.463 2.850 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823504931 599312566 /nfs/dbraw/zinc/31/25/66/599312566.db2.gz VSRDFOOSBLBLSR-KPKJPENVSA-N -1 1 373.463 2.850 20 10 FFCDMM [O-]c1c(Br)cccc1CNc1ncn(CC(F)(F)F)n1 ZINC000195170369 729531591 /nfs/dbraw/zinc/53/15/91/729531591.db2.gz LEGNTXBZPHGZQV-UHFFFAOYSA-N -1 1 351.126 2.921 20 10 FFCDMM CCOC(=O)[C@@H]1CC[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000867830895 731231711 /nfs/dbraw/zinc/23/17/11/731231711.db2.gz KUWUBJRSHVTZAR-WDEREUQCSA-N -1 1 370.243 2.750 20 10 FFCDMM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)NCC3)ccc1O ZINC000882798844 733296829 /nfs/dbraw/zinc/29/68/29/733296829.db2.gz GRQZXCOEIUWKIC-UHFFFAOYSA-N -1 1 360.435 2.602 20 10 FFCDMM O=C(Cc1ccc(OC(F)F)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782541203 738732242 /nfs/dbraw/zinc/73/22/42/738732242.db2.gz UUNILHGQJLZBFD-UHFFFAOYSA-N -1 1 352.289 2.668 20 10 FFCDMM C[C@@H]1C[C@]2(CC[C@@H](CNC(=O)NCc3cccc(Cl)c3[O-])O2)CO1 ZINC000896521718 735172408 /nfs/dbraw/zinc/17/24/08/735172408.db2.gz LFIYDIXWWUKBRF-BTJLNZGRSA-N -1 1 354.834 2.571 20 10 FFCDMM COc1cc(C)[n-]c(=NNC(=S)Nc2ccc(OC)c(Cl)c2)n1 ZINC000747654433 735578550 /nfs/dbraw/zinc/57/85/50/735578550.db2.gz NGSILMAYCSUONZ-UHFFFAOYSA-N -1 1 353.835 2.769 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@H]3CCCC[C@H]32)c1[O-] ZINC000753855971 736101606 /nfs/dbraw/zinc/10/16/06/736101606.db2.gz LJWIFGYJGVNXOC-CVEARBPZSA-N -1 1 371.886 2.790 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(=O)N(CC(F)(F)F)C2)c1 ZINC000754155398 736131320 /nfs/dbraw/zinc/13/13/20/736131320.db2.gz WHOSCIYFYBHNSX-UHFFFAOYSA-N -1 1 367.165 2.627 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@H](C)NCc2n[nH]cc2Br)c1 ZINC000756583763 736344935 /nfs/dbraw/zinc/34/49/35/736344935.db2.gz BGQPUESOKKLYAF-QMMMGPOBSA-N -1 1 354.204 2.515 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cc3ccccc3F)no2)c1 ZINC000761328672 736723677 /nfs/dbraw/zinc/72/36/77/736723677.db2.gz GGAHYGXPQNPMQF-UHFFFAOYSA-N -1 1 363.370 2.544 20 10 FFCDMM CCOC(=O)C[C@@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764799909 737050905 /nfs/dbraw/zinc/05/09/05/737050905.db2.gz NFUYXNNEZUQKBK-SNVBAGLBSA-N -1 1 373.247 2.543 20 10 FFCDMM O=C(NCc1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765449499 737120184 /nfs/dbraw/zinc/12/01/84/737120184.db2.gz YMCNMLZQDSEFLU-UHFFFAOYSA-N -1 1 351.200 2.860 20 10 FFCDMM COc1ccccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765764101 737155742 /nfs/dbraw/zinc/15/57/42/737155742.db2.gz IPDSJNLXOZDTKS-UHFFFAOYSA-N -1 1 366.211 2.859 20 10 FFCDMM O=S(=O)(Cc1cccc(F)c1)NCc1cccc(Br)c1[O-] ZINC000766207575 737207706 /nfs/dbraw/zinc/20/77/06/737207706.db2.gz PMVJSIISZGVYFV-UHFFFAOYSA-N -1 1 374.231 2.913 20 10 FFCDMM O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccc([O-])c(O)c1 ZINC000916589418 737713421 /nfs/dbraw/zinc/71/34/21/737713421.db2.gz IOGVJSLQGRKNMH-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C(=O)OC)c(C)c1 ZINC000775286984 738078617 /nfs/dbraw/zinc/07/86/17/738078617.db2.gz SVGWVUDKVPEYMO-UHFFFAOYSA-N -1 1 365.407 2.687 20 10 FFCDMM O=C(CN(Cc1cccc(Cl)c1[O-])C[C@H]1CCCO1)N1CCCC1 ZINC000775719476 738117008 /nfs/dbraw/zinc/11/70/08/738117008.db2.gz UOEBZZMPPAOPOE-OAHLLOKOSA-N -1 1 352.862 2.649 20 10 FFCDMM CN(Cc1nc(C(F)(F)F)cs1)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789990803 739403373 /nfs/dbraw/zinc/40/33/73/739403373.db2.gz RQJKUZSANKXJIJ-UHFFFAOYSA-N -1 1 350.293 2.984 20 10 FFCDMM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)cc1 ZINC000797820328 740276181 /nfs/dbraw/zinc/27/61/81/740276181.db2.gz RPNCGMAVLKDFOC-UHFFFAOYSA-N -1 1 350.396 2.550 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C(=O)OC)c(OC)c1 ZINC000799124058 740389567 /nfs/dbraw/zinc/38/95/67/740389567.db2.gz MHVMQWALADHNPI-UHFFFAOYSA-N -1 1 365.407 2.551 20 10 FFCDMM C[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816597695 742045989 /nfs/dbraw/zinc/04/59/89/742045989.db2.gz BSSPVRQCWIYYBN-SNVBAGLBSA-N -1 1 352.793 2.907 20 10 FFCDMM CC[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000817176817 742101813 /nfs/dbraw/zinc/10/18/13/742101813.db2.gz MNNVFDPXGLUTGY-NEPJUHHUSA-N -1 1 357.248 2.912 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@@H]3CCC[C@@H]32)c1 ZINC000825203328 743227971 /nfs/dbraw/zinc/22/79/71/743227971.db2.gz ZUEYMFAUOCWNTB-UONOGXRCSA-N -1 1 374.300 2.615 20 10 FFCDMM O=C([O-])CC[N@@H+](Cc1cccc(Br)c1[O-])C1CCOCC1 ZINC000843040084 747753626 /nfs/dbraw/zinc/75/36/26/747753626.db2.gz FKFBNKBDMATWRA-UHFFFAOYSA-N -1 1 358.232 2.610 20 10 FFCDMM COCCO[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000780491314 963064407 /nfs/dbraw/zinc/06/44/07/963064407.db2.gz IHZIPDNHQQNMPE-MRXNPFEDSA-N -1 1 371.433 2.566 20 10 FFCDMM COCCO[C@@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000780491314 963064420 /nfs/dbraw/zinc/06/44/20/963064420.db2.gz IHZIPDNHQQNMPE-MRXNPFEDSA-N -1 1 371.433 2.566 20 10 FFCDMM C[N@H+](CCn1cccn1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000732185707 998528750 /nfs/dbraw/zinc/52/87/50/998528750.db2.gz CNHPAMIFCMTNFT-UHFFFAOYSA-N -1 1 351.406 2.657 20 10 FFCDMM C[N@@H+](CCn1cccn1)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000732185707 998528758 /nfs/dbraw/zinc/52/87/58/998528758.db2.gz CNHPAMIFCMTNFT-UHFFFAOYSA-N -1 1 351.406 2.657 20 10 FFCDMM C[C@H]1C[C@H](c2ccccc2F)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250345 1000244775 /nfs/dbraw/zinc/24/47/75/1000244775.db2.gz ZHZLRJCNRHPSNN-MEDUHNTESA-N -1 1 370.384 2.855 20 10 FFCDMM CCOc1ccccc1N1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000789939682 1002235037 /nfs/dbraw/zinc/23/50/37/1002235037.db2.gz NHIFLOYHHWMFPV-UHFFFAOYSA-N -1 1 360.385 2.598 20 10 FFCDMM O=C(CNC(=O)c1c([O-])c(O)ccc1F)Nc1cccc2ccccc21 ZINC000789968257 1002242720 /nfs/dbraw/zinc/24/27/20/1002242720.db2.gz XYFJFKKKWBVPRB-UHFFFAOYSA-N -1 1 354.337 2.759 20 10 FFCDMM Cc1cc(C)n(-c2ccccc2CNC(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000789988468 1002249301 /nfs/dbraw/zinc/24/93/01/1002249301.db2.gz GPKOJXYFAVHLAH-UHFFFAOYSA-N -1 1 355.369 2.969 20 10 FFCDMM COc1c([O-])c(CN(C)Cc2nc3ccccc3n2C)ccc1[N+](=O)[O-] ZINC000774890066 1002967428 /nfs/dbraw/zinc/96/74/28/1002967428.db2.gz XOTYDRIMGPSIFW-UHFFFAOYSA-N -1 1 356.382 2.828 20 10 FFCDMM COc1ccc(-c2cnc(NCC(=O)c3ccc([O-])c(O)c3)nc2)cc1 ZINC001170314179 1003104446 /nfs/dbraw/zinc/10/44/46/1003104446.db2.gz QXYOAQWIMNMABX-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)nc2ccccc21 ZINC001170316732 1003106215 /nfs/dbraw/zinc/10/62/15/1003106215.db2.gz LTPKTHLTVVKPJO-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM CN(C)C(=O)CN(C)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237782112 1043356804 /nfs/dbraw/zinc/35/68/04/1043356804.db2.gz UROJCSIGKVSNIR-UHFFFAOYSA-N -1 1 369.181 2.694 20 10 FFCDMM O=C(N1CCCC1)C12CC(C1)C[N@H+]2Cc1cc(Br)ccc1O ZINC001203642387 1003371481 /nfs/dbraw/zinc/37/14/81/1003371481.db2.gz IHJMBHJNAJCSKW-UHFFFAOYSA-N -1 1 365.271 2.742 20 10 FFCDMM COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1 ZINC001193426979 1004484160 /nfs/dbraw/zinc/48/41/60/1004484160.db2.gz XKZPRCWEFRBAOK-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM O=C(CNC(=O)c1ccc(-c2ccc(F)cc2)cn1)c1ccc([O-])c(O)c1 ZINC001194768150 1004814854 /nfs/dbraw/zinc/81/48/54/1004814854.db2.gz NHMSDQBVEVWRLC-UHFFFAOYSA-N -1 1 366.348 2.912 20 10 FFCDMM O=C(c1cccc(NCc2cc(F)cc(F)c2[O-])c1)N1CCC[C@H](O)C1 ZINC000883060299 1006624780 /nfs/dbraw/zinc/62/47/80/1006624780.db2.gz GIJYYDHDYABHDJ-INIZCTEOSA-N -1 1 362.376 2.879 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C)c1 ZINC000131214266 1006701961 /nfs/dbraw/zinc/70/19/61/1006701961.db2.gz NHSACOQAPLDDOX-INIZCTEOSA-N -1 1 364.453 2.935 20 10 FFCDMM O=C(CCc1cnc2ccccc2c1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182297888 1010485439 /nfs/dbraw/zinc/48/54/39/1010485439.db2.gz QZWCJRQARLYOJU-UHFFFAOYSA-N -1 1 350.374 2.578 20 10 FFCDMM CCCCN1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl ZINC001274707117 1011605979 /nfs/dbraw/zinc/60/59/79/1011605979.db2.gz ZCBGMHMDBTWAAN-CHWSQXEVSA-N -1 1 366.845 2.757 20 10 FFCDMM COc1ccc(CNC(=O)/C=C/C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001159041395 1027243139 /nfs/dbraw/zinc/24/31/39/1027243139.db2.gz LGDZQFUOROPZQM-MDZDMXLPSA-N -1 1 374.824 2.543 20 10 FFCDMM O=C(CNC(F)(F)c1cc(C2CC2)nnc1Cl)c1ccc([O-])c(O)c1 ZINC001159280249 1027335441 /nfs/dbraw/zinc/33/54/41/1027335441.db2.gz HYPWASGQXAOLBA-UHFFFAOYSA-N -1 1 369.755 2.940 20 10 FFCDMM COc1cccc(Oc2cncc(NCC(=O)c3ccc([O-])c(O)c3)n2)c1 ZINC001159279178 1027336183 /nfs/dbraw/zinc/33/61/83/1027336183.db2.gz KJSYOHFUFARYPB-UHFFFAOYSA-N -1 1 367.361 2.984 20 10 FFCDMM C[C@H]1c2ccccc2CCN1C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155222574 1028631835 /nfs/dbraw/zinc/63/18/35/1028631835.db2.gz QASBQMKLOMNCBA-NSHDSACASA-N -1 1 351.358 2.964 20 10 FFCDMM COc1ccc2[nH]cc(CC(=O)OCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC000782888477 1029845167 /nfs/dbraw/zinc/84/51/67/1029845167.db2.gz YFJDHOFPUGQMOV-UHFFFAOYSA-N -1 1 355.346 2.556 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1Cc1ccccc1 ZINC000782900320 1029849022 /nfs/dbraw/zinc/84/90/22/1029849022.db2.gz WPWPQGDZPWUYIW-UHFFFAOYSA-N -1 1 366.373 2.691 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1Cc2nccn2C[C@H](COCC2CC2)C1 ZINC001142517724 1030566126 /nfs/dbraw/zinc/56/61/26/1030566126.db2.gz XRDQRQJNDQYOQM-CQSZACIVSA-N -1 1 363.408 2.926 20 10 FFCDMM COC(C)(C)CN1CC[C@@]2(CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])C1=O ZINC001276949771 1033733618 /nfs/dbraw/zinc/73/36/18/1033733618.db2.gz WHOAKQNQGCDWAY-IBGZPJMESA-N -1 1 368.424 2.662 20 10 FFCDMM COC(C)(C)CN1CC[C@@]2(CCCN2Cc2ccc(F)c(F)c2[O-])C1=O ZINC001276949771 1033733634 /nfs/dbraw/zinc/73/36/34/1033733634.db2.gz WHOAKQNQGCDWAY-IBGZPJMESA-N -1 1 368.424 2.662 20 10 FFCDMM C[C@H]1CCc2[nH]nc(C(=O)NCc3cccc(Br)c3[O-])c2C1 ZINC001139974573 1035294244 /nfs/dbraw/zinc/29/42/44/1035294244.db2.gz HDZQLJFHRDUIEI-VIFPVBQESA-N -1 1 364.243 2.933 20 10 FFCDMM CC(=O)N1CCC(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC1 ZINC001227580469 1035616232 /nfs/dbraw/zinc/61/62/32/1035616232.db2.gz QTVSDNRMLFBGEM-UHFFFAOYSA-N -1 1 365.385 2.557 20 10 FFCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@@H]3CCO3)c21 ZINC001228193732 1035985116 /nfs/dbraw/zinc/98/51/16/1035985116.db2.gz MLJWUTVGXZEXIF-BLLLJJGKSA-N -1 1 358.346 2.678 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@@H+]2CC[C@H](OC)C[C@@H]2C)c1 ZINC001233309482 1036514773 /nfs/dbraw/zinc/51/47/73/1036514773.db2.gz LKANGEKDXBPXPU-GWCFXTLKSA-N -1 1 372.259 2.941 20 10 FFCDMM O=S(=O)(c1ccccc1)[C@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335513 1036541236 /nfs/dbraw/zinc/54/12/36/1036541236.db2.gz YXRJLBJRNRIURL-ZDUSSCGKSA-N -1 1 353.390 2.719 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001235295790 1037457564 /nfs/dbraw/zinc/45/75/64/1037457564.db2.gz FTSOWCFRDAANBP-SCZZXKLOSA-N -1 1 372.156 2.896 20 10 FFCDMM NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454882 1037596761 /nfs/dbraw/zinc/59/67/61/1037596761.db2.gz JZEOIORHDVOJAT-HKUYNNGSSA-N -1 1 368.433 2.714 20 10 FFCDMM NC(=O)[C@@H](c1ccccc1)[C@@H]1CCCC[N@H+]1Cc1ccc(C(=O)[O-])cc1[O-] ZINC001231454882 1037596768 /nfs/dbraw/zinc/59/67/68/1037596768.db2.gz JZEOIORHDVOJAT-HKUYNNGSSA-N -1 1 368.433 2.714 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H](C)N1Cc1cc(C(=O)[O-])ccc1O ZINC001231565765 1037689527 /nfs/dbraw/zinc/68/95/27/1037689527.db2.gz JNYXVIBDSAJGNE-CHWSQXEVSA-N -1 1 364.442 2.920 20 10 FFCDMM COc1cc([O-])c(CN2CCn3c(Cn4cccn4)cnc3C2)c(Cl)c1 ZINC001236797471 1038277587 /nfs/dbraw/zinc/27/75/87/1038277587.db2.gz NYLJAKGMEARBRI-UHFFFAOYSA-N -1 1 373.844 2.511 20 10 FFCDMM COc1cccc(N2CCN(Cc3ccc(OC)c(Cl)c3[O-])CC2)n1 ZINC001236807370 1038282488 /nfs/dbraw/zinc/28/24/88/1038282488.db2.gz OHPWGHLDLONJPP-UHFFFAOYSA-N -1 1 363.845 2.780 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C)c(Cl)c2)ccc1O ZINC001259136305 1039739428 /nfs/dbraw/zinc/73/94/28/1039739428.db2.gz LSYOFIHIBXLAFF-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM COC(=O)CCc1ccc(S(=O)(=O)Nc2cc(F)c([O-])c(F)c2)cc1 ZINC001259324447 1039915143 /nfs/dbraw/zinc/91/51/43/1039915143.db2.gz CPSUZZANJKDMOL-UHFFFAOYSA-N -1 1 371.361 2.577 20 10 FFCDMM O=S(=O)(Nc1ccc([O-])c(F)c1F)c1ccc(-n2cccn2)cc1 ZINC001259369024 1039946546 /nfs/dbraw/zinc/94/65/46/1039946546.db2.gz KHQQLVPRHIYIAM-UHFFFAOYSA-N -1 1 351.334 2.657 20 10 FFCDMM O=c1ccc2cc(S(=O)(=O)Nc3ccc([O-])c(F)c3F)ccc2o1 ZINC001260451492 1040600137 /nfs/dbraw/zinc/60/01/37/1040600137.db2.gz MAPLGFNNGCBJEE-UHFFFAOYSA-N -1 1 353.302 2.578 20 10 FFCDMM COc1cc(OC)cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001214006444 1041158286 /nfs/dbraw/zinc/15/82/86/1041158286.db2.gz LPFNICZAIXXRBX-UHFFFAOYSA-N -1 1 357.815 2.541 20 10 FFCDMM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c([O-])cc(F)cc2F)[nH]1 ZINC001278605927 1041392386 /nfs/dbraw/zinc/39/23/86/1041392386.db2.gz MMCWBKOHVMKILX-GASCZTMLSA-N -1 1 361.392 2.620 20 10 FFCDMM [O-]c1c(CN2CC[C@@H](CO)C2)cc(Br)cc1C(F)(F)F ZINC001237782594 1043356929 /nfs/dbraw/zinc/35/69/29/1043356929.db2.gz ZXVHLVIVXWFCHX-MRVPVSSYSA-N -1 1 354.166 2.988 20 10 FFCDMM O=C(NC1CCN(Cc2cc(F)cc(Cl)c2[O-])CC1)C1CCOCC1 ZINC001237814364 1043375845 /nfs/dbraw/zinc/37/58/45/1043375845.db2.gz QNKFCFHXOJPEGZ-UHFFFAOYSA-N -1 1 370.852 2.692 20 10 FFCDMM COc1cccnc1N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237949986 1043452343 /nfs/dbraw/zinc/45/23/43/1043452343.db2.gz QEWDOIWLBXQMDS-UHFFFAOYSA-N -1 1 351.809 2.911 20 10 FFCDMM COc1ccccc1[C@@H](O)C(=O)NCc1cccc(Br)c1[O-] ZINC001297440478 1050168438 /nfs/dbraw/zinc/16/84/38/1050168438.db2.gz NDCLGLLCWGCNMA-OAHLLOKOSA-N -1 1 366.211 2.513 20 10 FFCDMM COc1ccc(Br)cc1CNC(=O)c1c([O-])c(O)ccc1F ZINC001306709662 1052172733 /nfs/dbraw/zinc/17/27/33/1052172733.db2.gz FQCXJMRASNTVBX-UHFFFAOYSA-N -1 1 370.174 2.938 20 10 FFCDMM CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC001337248372 1054592530 /nfs/dbraw/zinc/59/25/30/1054592530.db2.gz JWIBUMVGPARGTQ-UHFFFAOYSA-N -1 1 361.829 2.993 20 10 FFCDMM Cn1cc(-c2nsc(NC(=O)NCc3cccc(Cl)c3[O-])n2)cn1 ZINC001563365362 1076546514 /nfs/dbraw/zinc/54/65/14/1076546514.db2.gz ILXVUGUDKGUJAX-UHFFFAOYSA-N -1 1 364.818 2.619 20 10 FFCDMM CCOC(=O)CN(Cc1ccccc1O)C(=O)c1c([O-])cccc1Cl ZINC001570514858 1077212215 /nfs/dbraw/zinc/21/22/15/1077212215.db2.gz ROLSHSCYCZERBT-UHFFFAOYSA-N -1 1 363.797 2.957 20 10 FFCDMM O=C(Oc1ccccc1)N1CCCN(C(=O)c2c([O-])c(O)ccc2F)CC1 ZINC000276664448 510944165 /nfs/dbraw/zinc/94/41/65/510944165.db2.gz YMNWEEDAUPZVOI-UHFFFAOYSA-N -1 1 374.368 2.584 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn2c1CCCC2 ZINC000277634054 510967756 /nfs/dbraw/zinc/96/77/56/510967756.db2.gz XKLDKJIQIVUVOL-UHFFFAOYSA-N -1 1 350.216 2.618 20 10 FFCDMM CCc1nn(C)cc1NC(=O)NCc1cccc(Br)c1[O-] ZINC000278040483 510979645 /nfs/dbraw/zinc/97/96/45/510979645.db2.gz MGONTPCQAZUOIF-UHFFFAOYSA-N -1 1 353.220 2.772 20 10 FFCDMM COc1cc([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc(OC)c1OC ZINC000294876207 511206517 /nfs/dbraw/zinc/20/65/17/511206517.db2.gz PPPQBFNHRFQLMB-SECBINFHSA-N -1 1 365.357 2.754 20 10 FFCDMM CCn1cc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000297221550 512066156 /nfs/dbraw/zinc/06/61/56/512066156.db2.gz ZFYTWBBTQTUYCR-JTQLQIEISA-N -1 1 367.247 2.932 20 10 FFCDMM Cc1nc([C@@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000832996761 602138467 /nfs/dbraw/zinc/13/84/67/602138467.db2.gz DVMIYJIFRHKUQC-SCXUMTSISA-N -1 1 357.370 2.503 20 10 FFCDMM Cc1nnc([C@@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000832996761 602138470 /nfs/dbraw/zinc/13/84/70/602138470.db2.gz DVMIYJIFRHKUQC-SCXUMTSISA-N -1 1 357.370 2.503 20 10 FFCDMM CC(C)c1cc(C(=O)N(CC(=O)[O-])Cc2cc(Cl)ccc2O)n[nH]1 ZINC000833508641 605282250 /nfs/dbraw/zinc/28/22/50/605282250.db2.gz ORXRMRUIDIYUSF-UHFFFAOYSA-N -1 1 351.790 2.619 20 10 FFCDMM CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H](C)CS(=O)(=O)CC ZINC000177169195 729130257 /nfs/dbraw/zinc/13/02/57/729130257.db2.gz CITVKIWUYJGRPK-NSHDSACASA-N -1 1 361.891 2.893 20 10 FFCDMM C[C@@H](NCc1c(Br)cnn1C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000866431446 731059631 /nfs/dbraw/zinc/05/96/31/731059631.db2.gz SHSHQWLHZYYRAI-MRVPVSSYSA-N -1 1 355.192 2.647 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1C[C@H]1C1CCOCC1 ZINC000867830512 731231387 /nfs/dbraw/zinc/23/13/87/731231387.db2.gz AYLHUTCYYBLQRE-QWHCGFSZSA-N -1 1 354.244 2.834 20 10 FFCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1cn(C[C@H]2CCCO2)nn1 ZINC000877530781 732381607 /nfs/dbraw/zinc/38/16/07/732381607.db2.gz XMQKXUGULAYWHD-CYBMUJFWSA-N -1 1 357.241 2.759 20 10 FFCDMM O=C(CCOc1cccc(Cl)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782800138 738755767 /nfs/dbraw/zinc/75/57/67/738755767.db2.gz YZNABVNCCVXQQN-UHFFFAOYSA-N -1 1 350.754 2.946 20 10 FFCDMM CCOC(=O)[C@@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886962893 733865540 /nfs/dbraw/zinc/86/55/40/733865540.db2.gz GTELXYDDKLMFKT-GDBMZVCRSA-N -1 1 369.845 2.839 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCCN1C(=O)c1ccco1 ZINC000890758156 734336376 /nfs/dbraw/zinc/33/63/76/734336376.db2.gz RYFVBQIRIIHXPG-CQSZACIVSA-N -1 1 362.813 2.950 20 10 FFCDMM CC[C@@H](C)C(=O)N1CCC[C@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890757287 734336427 /nfs/dbraw/zinc/33/64/27/734336427.db2.gz BEMQKYAGDZERDP-OCCSQVGLSA-N -1 1 352.862 2.947 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000890759420 734336763 /nfs/dbraw/zinc/33/67/63/734336763.db2.gz AZDLADXVAVCHQE-QGZVFWFLSA-N -1 1 360.841 2.563 20 10 FFCDMM CCOCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)cc1 ZINC000901704354 735823509 /nfs/dbraw/zinc/82/35/09/735823509.db2.gz RMYIBLXXGBKBEG-UHFFFAOYSA-N -1 1 367.423 2.617 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)[C@@H]3CCCC[C@H]32)c1[O-] ZINC000753855973 736101526 /nfs/dbraw/zinc/10/15/26/736101526.db2.gz LJWIFGYJGVNXOC-HZPDHXFCSA-N -1 1 371.886 2.790 20 10 FFCDMM COC(=O)c1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169702 736458154 /nfs/dbraw/zinc/45/81/54/736458154.db2.gz YEXAFAXVZGEGBB-UHFFFAOYSA-N -1 1 359.762 2.772 20 10 FFCDMM COC(=O)C[C@@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000762633151 736848537 /nfs/dbraw/zinc/84/85/37/736848537.db2.gz JGJSMEZJCCFVCM-CYBMUJFWSA-N -1 1 357.859 2.729 20 10 FFCDMM CC[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCO1 ZINC000764798209 737050373 /nfs/dbraw/zinc/05/03/73/737050373.db2.gz BKLAVMIRSSQLPR-CHWSQXEVSA-N -1 1 357.248 2.912 20 10 FFCDMM CCOC(=O)c1cnc(NCc2cccc(Br)c2[O-])cn1 ZINC000764935575 737065251 /nfs/dbraw/zinc/06/52/51/737065251.db2.gz XVYIQWZHONRDQK-UHFFFAOYSA-N -1 1 352.188 2.734 20 10 FFCDMM Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1[N+](=O)[O-] ZINC000765726649 737149704 /nfs/dbraw/zinc/14/97/04/737149704.db2.gz IHWMLFZJMKARCS-UHFFFAOYSA-N -1 1 366.171 2.575 20 10 FFCDMM NC(=O)Nc1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765754297 737154334 /nfs/dbraw/zinc/15/43/34/737154334.db2.gz VFEISLQYOGCSCR-UHFFFAOYSA-N -1 1 364.199 2.575 20 10 FFCDMM O=C(Cc1csc2nccn12)NCc1cccc(Br)c1[O-] ZINC000765766486 737156355 /nfs/dbraw/zinc/15/63/55/737156355.db2.gz YDXWPIVYGOTBPG-UHFFFAOYSA-N -1 1 366.240 2.723 20 10 FFCDMM O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)c1ccc([O-])c(O)c1 ZINC000916591457 737713531 /nfs/dbraw/zinc/71/35/31/737713531.db2.gz MUMDDFKMZFLZCA-UHFFFAOYSA-N -1 1 366.156 2.884 20 10 FFCDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc3c(c2)CCCN3C)sc1C ZINC000771943086 737768622 /nfs/dbraw/zinc/76/86/22/737768622.db2.gz JLCUZSOAUFNURD-UHFFFAOYSA-N -1 1 351.497 2.621 20 10 FFCDMM CC(=O)Nc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)ccc1[O-] ZINC000776750550 738229308 /nfs/dbraw/zinc/22/93/08/738229308.db2.gz HGLXQQRPGQQPGI-UHFFFAOYSA-N -1 1 356.787 2.510 20 10 FFCDMM Cn1cc([C@H](NC(=O)NCc2cccc(Cl)c2[O-])C(F)(F)F)cn1 ZINC000931099886 739212212 /nfs/dbraw/zinc/21/22/12/739212212.db2.gz IEBFCMFVEQVOBI-LBPRGKRZSA-N -1 1 362.739 2.882 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1 ZINC000790408696 739449391 /nfs/dbraw/zinc/44/93/91/739449391.db2.gz HCHSZWCTNBHIQP-UHFFFAOYSA-N -1 1 351.380 2.598 20 10 FFCDMM O=C(COC(=O)c1cc(O)ccc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000803527211 740808004 /nfs/dbraw/zinc/80/80/04/740808004.db2.gz IMXVCGQTOXXJDT-UHFFFAOYSA-N -1 1 356.252 2.862 20 10 FFCDMM COc1c([O-])c(CN2CC(O)(c3ccc(Cl)cc3)C2)ccc1[N+](=O)[O-] ZINC000811509454 741531616 /nfs/dbraw/zinc/53/16/16/741531616.db2.gz YMPHZIHBAGGTGZ-UHFFFAOYSA-N -1 1 364.785 2.666 20 10 FFCDMM O=C(COC(=O)c1ccc(OC(F)F)c(F)c1)c1ccc([O-])c(O)c1 ZINC000815484489 741938962 /nfs/dbraw/zinc/93/89/62/741938962.db2.gz RHLMMFVWQVTESL-UHFFFAOYSA-N -1 1 356.252 2.878 20 10 FFCDMM O=C(C1CC1)N1CCC[N@@H+](Cc2ccc(Br)cc2O)CC1 ZINC000825621286 743302269 /nfs/dbraw/zinc/30/22/69/743302269.db2.gz KWGZKGPMYLOWCU-UHFFFAOYSA-N -1 1 353.260 2.599 20 10 FFCDMM C[C@@H]1C[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000840431764 747091495 /nfs/dbraw/zinc/09/14/95/747091495.db2.gz DIYZZWSGAQRZCU-FOGDFJRCSA-N -1 1 357.248 2.767 20 10 FFCDMM CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(O)cc1COC ZINC000840915946 747223857 /nfs/dbraw/zinc/22/38/57/747223857.db2.gz UIAICCJPDFACSO-UHFFFAOYSA-N -1 1 366.395 2.810 20 10 FFCDMM COCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@@H](O)C(F)(F)F ZINC000847030039 748601318 /nfs/dbraw/zinc/60/13/18/748601318.db2.gz UKERISINZXCGLK-CYBMUJFWSA-N -1 1 369.767 2.620 20 10 FFCDMM COc1ccc(CNCc2ccc(C(=O)[O-])c(C)n2)cc1Cn1cccn1 ZINC000871877635 1013096824 /nfs/dbraw/zinc/09/68/24/1013096824.db2.gz PSBDBZRLSRPAGP-UHFFFAOYSA-N -1 1 366.421 2.631 20 10 FFCDMM Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c12 ZINC000782626972 969218342 /nfs/dbraw/zinc/21/83/42/969218342.db2.gz GZHZOTVRUBTKRG-UHFFFAOYSA-N -1 1 368.345 2.860 20 10 FFCDMM CC(C)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc2c(c1)OCO2 ZINC000796532392 1014196932 /nfs/dbraw/zinc/19/69/32/1014196932.db2.gz BQDTXJIVKINPTQ-UHFFFAOYSA-N -1 1 358.346 2.530 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4cc[nH]c4c3)no2)c1 ZINC000761771966 987793325 /nfs/dbraw/zinc/79/33/25/987793325.db2.gz RLWKMPGWXGEJNR-UHFFFAOYSA-N -1 1 370.390 2.962 20 10 FFCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1F ZINC001597482615 987980249 /nfs/dbraw/zinc/98/02/49/987980249.db2.gz OMEOABNRFJXFGU-UHFFFAOYSA-N -1 1 357.334 2.732 20 10 FFCDMM Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916594122 989839269 /nfs/dbraw/zinc/83/92/69/989839269.db2.gz RRSOAQWIYSTIDZ-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM C[C@H]1CCCN(c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)ccn2)C1 ZINC000812652890 995497659 /nfs/dbraw/zinc/49/76/59/995497659.db2.gz KFHCIHNFTNTBFV-ZDUSSCGKSA-N -1 1 370.405 2.769 20 10 FFCDMM [O-]c1cc(F)c(Br)cc1CN1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC001144298996 998284558 /nfs/dbraw/zinc/28/45/58/998284558.db2.gz OEDJGUZHRXEODV-BDAKNGLRSA-N -1 1 372.156 2.896 20 10 FFCDMM CC(C)(C)OC(=O)[C@@H]1CC[C@H](C(=O)OCC(=O)c2ccc([O-])c(O)c2)C1 ZINC000845323611 998484404 /nfs/dbraw/zinc/48/44/04/998484404.db2.gz GCAZRZVCNQZSPA-QWHCGFSZSA-N -1 1 364.394 2.582 20 10 FFCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000732188669 998510165 /nfs/dbraw/zinc/51/01/65/998510165.db2.gz LFNYHNNQSDQNPK-KRWDZBQOSA-N -1 1 366.461 2.997 20 10 FFCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@H]1CCN(C2CC2)C1 ZINC000732188669 998510171 /nfs/dbraw/zinc/51/01/71/998510171.db2.gz LFNYHNNQSDQNPK-KRWDZBQOSA-N -1 1 366.461 2.997 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](N3CC=CC3)C2)c1[O-] ZINC000742164211 999760076 /nfs/dbraw/zinc/76/00/76/999760076.db2.gz YMWQOPQIIJGIPW-KRWDZBQOSA-N -1 1 364.445 2.775 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](N3CC=CC3)C2)c1[O-] ZINC000742164211 999760077 /nfs/dbraw/zinc/76/00/77/999760077.db2.gz YMWQOPQIIJGIPW-KRWDZBQOSA-N -1 1 364.445 2.775 20 10 FFCDMM Cc1nc(-c2cccnc2)[n-]c(=O)c1CCC(=O)NCc1ccccc1O ZINC000769362307 1000500779 /nfs/dbraw/zinc/50/07/79/1000500779.db2.gz HJURALONLLDXFJ-UHFFFAOYSA-N -1 1 364.405 2.507 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3c[nH]c4ccccc34)no2)c1 ZINC000771197724 1001031297 /nfs/dbraw/zinc/03/12/97/1001031297.db2.gz RDPRUMZORCQBSV-UHFFFAOYSA-N -1 1 370.390 2.962 20 10 FFCDMM O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3cc(F)c(F)cc3[O-])C[C@@]12F ZINC001276191416 1016500644 /nfs/dbraw/zinc/50/06/44/1016500644.db2.gz JUQQVJLICBLKNS-ZWKOTPCHSA-N -1 1 372.362 2.687 20 10 FFCDMM COc1ccc([C@@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)C(C)C)cc1 ZINC001182993205 1002117804 /nfs/dbraw/zinc/11/78/04/1002117804.db2.gz LTUFDCIHEYOPAU-IBGZPJMESA-N -1 1 357.406 2.845 20 10 FFCDMM CCNC(=O)CO[C@@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203582031 1002481613 /nfs/dbraw/zinc/48/16/13/1002481613.db2.gz MZPQXOHTGVHGIT-CYBMUJFWSA-N -1 1 361.269 2.816 20 10 FFCDMM O=C(NC1CN(c2ccc(C(F)(F)F)cc2)C1)c1c([O-])c(O)ccc1F ZINC001184339551 1002574960 /nfs/dbraw/zinc/57/49/60/1002574960.db2.gz HQZSOTQGPLLORR-UHFFFAOYSA-N -1 1 370.302 2.874 20 10 FFCDMM O=C(CNc1ncc(F)c2cc([N+](=O)[O-])ccc21)c1ccc([O-])c(O)c1 ZINC001170316660 1003106856 /nfs/dbraw/zinc/10/68/56/1003106856.db2.gz WZBNMEPMDHVKOJ-UHFFFAOYSA-N -1 1 357.297 2.988 20 10 FFCDMM O=C(CNc1nc2cc([N+](=O)[O-])ccc2nc1Cl)c1ccc([O-])c(O)c1 ZINC001170316733 1003106904 /nfs/dbraw/zinc/10/69/04/1003106904.db2.gz LUOXQDAQABDEPL-UHFFFAOYSA-N -1 1 374.740 2.897 20 10 FFCDMM COC(=O)CCCCS(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001196957961 1004024548 /nfs/dbraw/zinc/02/45/48/1004024548.db2.gz BLUZMCCSJTZOHF-UHFFFAOYSA-N -1 1 373.430 2.983 20 10 FFCDMM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193224873 1004402240 /nfs/dbraw/zinc/40/22/40/1004402240.db2.gz DJZBWGZGMKZWJT-JTQLQIEISA-N -1 1 355.818 2.945 20 10 FFCDMM COC(=O)c1cc2cc(NC(=O)c3ccc(O)c([O-])c3Cl)c[nH]c-2n1 ZINC001193219368 1004407202 /nfs/dbraw/zinc/40/72/02/1004407202.db2.gz GOOGXACORUQCMG-UHFFFAOYSA-N -1 1 361.741 2.666 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN2CCc3ccccc3[C@H]2C1 ZINC001193231921 1004411068 /nfs/dbraw/zinc/41/10/68/1004411068.db2.gz BEBXIUCSIHWYNW-OAHLLOKOSA-N -1 1 358.825 2.806 20 10 FFCDMM Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-][C@@H](C)c2ccccc2O)cc1F ZINC001193690774 1004553151 /nfs/dbraw/zinc/55/31/51/1004553151.db2.gz UFILONQDSRFSDE-JTQLQIEISA-N -1 1 354.359 2.787 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1c[nH]c(=O)c(Br)c1 ZINC001159033685 1006080959 /nfs/dbraw/zinc/08/09/59/1006080959.db2.gz LRUMKKIKHAIAQT-UHFFFAOYSA-N -1 1 357.591 2.839 20 10 FFCDMM O=C(CNC(=O)c1ncc(Cl)cc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001190711305 1007742626 /nfs/dbraw/zinc/74/26/26/1007742626.db2.gz KTFUGNNRUPNWIN-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM O=C(Cc1ccccc1OC(F)(F)F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001179919102 1009509840 /nfs/dbraw/zinc/50/98/40/1009509840.db2.gz VWYKCJIPNLGODU-UHFFFAOYSA-N -1 1 369.295 2.538 20 10 FFCDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)N[C@H](C)c1ccccc1O ZINC000827930572 1019014993 /nfs/dbraw/zinc/01/49/93/1019014993.db2.gz LGJWSNFSCFWQAT-GFCCVEGCSA-N -1 1 354.410 2.567 20 10 FFCDMM COc1cc(OCC(=O)NCc2cccc(Cl)c2[O-])ccc1[N+](=O)[O-] ZINC001159034090 1027238967 /nfs/dbraw/zinc/23/89/67/1027238967.db2.gz RBPCISCURMHPSH-UHFFFAOYSA-N -1 1 366.757 2.658 20 10 FFCDMM CCOC(=O)c1cnc(Cl)c(C)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159279793 1027335946 /nfs/dbraw/zinc/33/59/46/1027335946.db2.gz ZFTXKBMTMPMFCZ-UHFFFAOYSA-N -1 1 364.785 2.926 20 10 FFCDMM O=C(Nc1ccc2[nH]nc(Cl)c2c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227777 1028635774 /nfs/dbraw/zinc/63/57/74/1028635774.db2.gz FCIQUJWIENXYLQ-UHFFFAOYSA-N -1 1 371.736 2.986 20 10 FFCDMM COc1ccc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CCC2)cc1 ZINC000783358198 1030049220 /nfs/dbraw/zinc/04/92/20/1030049220.db2.gz SEVJFDQYLOWWNF-UHFFFAOYSA-N -1 1 356.374 2.954 20 10 FFCDMM O=C(CCC(=O)c1ccc(F)c(F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784098084 1030467316 /nfs/dbraw/zinc/46/73/16/1030467316.db2.gz IADBJBMGJSUDAY-UHFFFAOYSA-N -1 1 364.300 2.765 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@]1(C)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000831375740 1034058069 /nfs/dbraw/zinc/05/80/69/1034058069.db2.gz MCKXYHCAIRMSLP-SFHVURJKSA-N -1 1 368.405 2.614 20 10 FFCDMM O=C(CSc1nnc(N2CCCCC2)n1C1CC1)c1ccc([O-])c(O)c1 ZINC000832835337 1034993878 /nfs/dbraw/zinc/99/38/78/1034993878.db2.gz VGPNKNNLPMUGDH-UHFFFAOYSA-N -1 1 374.466 2.990 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2COC[C@H](C1)N2Cc1c([O-])cccc1Cl ZINC001140338234 1035443034 /nfs/dbraw/zinc/44/30/34/1035443034.db2.gz BQUNJGXKYZQILG-BETUJISGSA-N -1 1 368.861 2.866 20 10 FFCDMM CC(C)(C)NC(=O)CO[C@H]1CCCN(Cc2c([O-])cc(F)cc2F)C1 ZINC001140584260 1035668164 /nfs/dbraw/zinc/66/81/64/1035668164.db2.gz KUDGHXZYNMDGMD-ZDUSSCGKSA-N -1 1 356.413 2.566 20 10 FFCDMM O=C1N(Cc2cnoc2)CC[C@@]12CCCN2Cc1cccc(Cl)c1[O-] ZINC001277231839 1035671619 /nfs/dbraw/zinc/67/16/19/1035671619.db2.gz GDYPLHZBJAYGDR-SFHVURJKSA-N -1 1 361.829 2.801 20 10 FFCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CCC(=O)C3)c2)nc1C ZINC001232453511 1035696165 /nfs/dbraw/zinc/69/61/65/1035696165.db2.gz IIGKTVXGDCLSQM-UHFFFAOYSA-N -1 1 360.435 2.776 20 10 FFCDMM CN1CC[C@@H](Oc2c(=O)c3ccc([O-])cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001228365483 1036073605 /nfs/dbraw/zinc/07/36/05/1036073605.db2.gz MKPPCLZWTOHJFN-CYBMUJFWSA-N -1 1 369.373 2.660 20 10 FFCDMM CC(=O)N1CCC[C@@]2(CN(Cc3cccc(C(F)(F)F)c3[O-])CCO2)C1 ZINC001233418118 1036610450 /nfs/dbraw/zinc/61/04/50/1036610450.db2.gz UQNOPHQSONFGQS-QGZVFWFLSA-N -1 1 372.387 2.624 20 10 FFCDMM COc1cnc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)nc1 ZINC001233419542 1036613268 /nfs/dbraw/zinc/61/32/68/1036613268.db2.gz BWLDJKSGZXHXPM-UHFFFAOYSA-N -1 1 368.359 2.532 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001234473025 1037051558 /nfs/dbraw/zinc/05/15/58/1037051558.db2.gz AEBCXAFDYMEIIF-HWPZZCPQSA-N -1 1 351.399 2.935 20 10 FFCDMM O=C1CC[C@]2(CCCN(Cc3cc(F)cc(Br)c3[O-])C2)O1 ZINC001235305193 1037464775 /nfs/dbraw/zinc/46/47/75/1037464775.db2.gz KCHMNWMZPDUHOF-HNNXBMFYSA-N -1 1 358.207 2.965 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1cc(C(=O)[O-])ccc1O ZINC001231562707 1037687590 /nfs/dbraw/zinc/68/75/90/1037687590.db2.gz KTRJBXXGKJFDQL-HUUCEWRRSA-N -1 1 362.426 2.674 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(C)(C)C)C(=O)C2)c1 ZINC001236665441 1038181572 /nfs/dbraw/zinc/18/15/72/1038181572.db2.gz JUPGLDHIXWONLO-UHFFFAOYSA-N -1 1 355.276 2.906 20 10 FFCDMM CC(=O)N1CCC2(CC1)CN(Cc1cc(Cl)c(Cl)cc1[O-])CCO2 ZINC001236792937 1038273397 /nfs/dbraw/zinc/27/33/97/1038273397.db2.gz KAGVDMXWNKRXRO-UHFFFAOYSA-N -1 1 373.280 2.912 20 10 FFCDMM O=C([C@@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1[O-])N1CCOCC1 ZINC001236797257 1038277045 /nfs/dbraw/zinc/27/70/45/1038277045.db2.gz WYKSNAJMLLLQID-HNNXBMFYSA-N -1 1 373.280 2.912 20 10 FFCDMM CCOC(=O)c1nc2c(o1)CCN(Cc1c([O-])cc(OC)cc1Cl)C2 ZINC001236807986 1038282362 /nfs/dbraw/zinc/28/23/62/1038282362.db2.gz LTOPJTVNGNHWCM-UHFFFAOYSA-N -1 1 366.801 2.777 20 10 FFCDMM O=S1(=O)CC[C@@H](CF)C12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237084578 1038439723 /nfs/dbraw/zinc/43/97/23/1038439723.db2.gz KUFWQPFPYBZROQ-VIFPVBQESA-N -1 1 368.257 2.658 20 10 FFCDMM CCOC(=O)CCN(CC(=O)OCC)Cc1c([O-])ccc(F)c1Cl ZINC001237122944 1038450411 /nfs/dbraw/zinc/45/04/11/1038450411.db2.gz AHERKALLDAGWFA-UHFFFAOYSA-N -1 1 361.797 2.503 20 10 FFCDMM CC(C)(C)c1ccc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001252060654 1039418764 /nfs/dbraw/zinc/41/87/64/1039418764.db2.gz IADJQSVMFKCLMJ-UHFFFAOYSA-N -1 1 363.435 2.557 20 10 FFCDMM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)Nc1cc(F)c([O-])c(F)c1)C(=O)C2 ZINC001258973156 1039630254 /nfs/dbraw/zinc/63/02/54/1039630254.db2.gz XCINRXAMNAIFQB-FVMDXXJSSA-N -1 1 359.394 2.808 20 10 FFCDMM COC(=O)CCc1ccc(S(=O)(=O)Nc2cc(F)c([O-])cc2F)cc1 ZINC001259325396 1039914531 /nfs/dbraw/zinc/91/45/31/1039914531.db2.gz WJOKNTLFVYDNTF-UHFFFAOYSA-N -1 1 371.361 2.577 20 10 FFCDMM O=S(=O)([N-]c1ccc(O)cc1C(F)(F)F)c1ccc2c(c1)OCO2 ZINC001259850087 1040242817 /nfs/dbraw/zinc/24/28/17/1040242817.db2.gz LCPGWHMBGLIHBE-UHFFFAOYSA-N -1 1 361.297 2.941 20 10 FFCDMM COc1ccc(CN2CC[C@H](F)C2)c([O-])c1I ZINC001248482228 1040297710 /nfs/dbraw/zinc/29/77/10/1040297710.db2.gz VVPRASIOMDEPRF-VIFPVBQESA-N -1 1 351.159 2.549 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc2c(c1)S(=O)(=O)CC2 ZINC001215724733 1041867529 /nfs/dbraw/zinc/86/75/29/1041867529.db2.gz KXXDFJRFDUFTLO-UHFFFAOYSA-N -1 1 366.826 2.697 20 10 FFCDMM CC1(C)CN(Cc2cccc(I)c2[O-])CCC1=O ZINC001237779925 1043353317 /nfs/dbraw/zinc/35/33/17/1043353317.db2.gz KLWZVNQFZDWMBN-UHFFFAOYSA-N -1 1 359.207 2.798 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CCO1 ZINC001237933591 1043441466 /nfs/dbraw/zinc/44/14/66/1043441466.db2.gz DOCOVCSEGHYTEV-GFCCVEGCSA-N -1 1 374.840 2.910 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237949483 1043450716 /nfs/dbraw/zinc/45/07/16/1043450716.db2.gz MWQIRPBULFWFII-UHFFFAOYSA-N -1 1 353.781 2.574 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)c(F)c1 ZINC001339516402 1056536582 /nfs/dbraw/zinc/53/65/82/1056536582.db2.gz LEXVFAWYORLEGU-UHFFFAOYSA-N -1 1 352.387 2.853 20 10 FFCDMM O=C(NCc1ccc(OCC(F)(F)F)nc1)c1c(F)ccc(O)c1[O-] ZINC001457611440 1060411219 /nfs/dbraw/zinc/41/12/19/1060411219.db2.gz QDDZYTBMHFDTKJ-UHFFFAOYSA-N -1 1 360.263 2.503 20 10 FFCDMM C[C@@]1([N-]C(=O)C(F)(F)F)CC[N@@H+](Cc2cc(Cl)c(F)cc2[O-])C1 ZINC001462521884 1061657691 /nfs/dbraw/zinc/65/76/91/1061657691.db2.gz TUDGXBINCNYCHK-CYBMUJFWSA-N -1 1 354.731 2.828 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccc(N2CCNC2=O)cc1 ZINC001465240553 1063025194 /nfs/dbraw/zinc/02/51/94/1063025194.db2.gz JGKNTTLVKPPEJJ-UHFFFAOYSA-N -1 1 360.801 2.897 20 10 FFCDMM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC001472472239 1065075762 /nfs/dbraw/zinc/07/57/62/1065075762.db2.gz JDMUGILQHNZJAK-UHFFFAOYSA-N -1 1 356.382 2.568 20 10 FFCDMM Cc1ccc2ccnc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])c2c1 ZINC001557280682 1075832767 /nfs/dbraw/zinc/83/27/67/1075832767.db2.gz SQUTYVLDVKIXOQ-UHFFFAOYSA-N -1 1 371.418 2.873 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccc(C(F)(F)F)nc1 ZINC001562008784 1076464797 /nfs/dbraw/zinc/46/47/97/1076464797.db2.gz YECMEJFTXOHQDO-UHFFFAOYSA-N -1 1 366.748 2.938 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2[C@H]2CCCC2=O)c1[O-] ZINC000368958097 512156473 /nfs/dbraw/zinc/15/64/73/512156473.db2.gz WVBCVDUYUJGQPC-GDBMZVCRSA-N -1 1 351.830 2.818 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2[C@H]2CCCC2=O)c1[O-] ZINC000368958100 512156593 /nfs/dbraw/zinc/15/65/93/512156593.db2.gz WVBCVDUYUJGQPC-ZBFHGGJFSA-N -1 1 351.830 2.818 20 10 FFCDMM C[C@H](C(=O)NCc1cccc(Br)c1[O-])N(C)CC(F)(F)F ZINC000281452331 511853056 /nfs/dbraw/zinc/85/30/56/511853056.db2.gz COGYAICEGGNAFE-MRVPVSSYSA-N -1 1 369.181 2.654 20 10 FFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000266969525 509283457 /nfs/dbraw/zinc/28/34/57/509283457.db2.gz LBCULLQVRHOWPX-UHFFFAOYSA-N -1 1 358.467 2.743 20 10 FFCDMM Cn1ccnc1[C@H](O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191444752 510663786 /nfs/dbraw/zinc/66/37/86/510663786.db2.gz IABDLOBLLGRAAJ-BDJLRTHQSA-N -1 1 353.825 2.864 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@@H]2OCC[C@H]21 ZINC000277489761 510964619 /nfs/dbraw/zinc/96/46/19/510964619.db2.gz QIMJJUUEBBNALL-YUTCNCBUSA-N -1 1 369.259 2.912 20 10 FFCDMM CCOC(=O)CC[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277698757 510969477 /nfs/dbraw/zinc/96/94/77/510969477.db2.gz HPHBXMPTBRTHTJ-SNVBAGLBSA-N -1 1 373.247 2.686 20 10 FFCDMM CC(C)C[C@@H](CCO)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277731675 510970950 /nfs/dbraw/zinc/97/09/50/510970950.db2.gz LEOZESHQQHKFGB-GFCCVEGCSA-N -1 1 373.291 2.999 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886421 511011762 /nfs/dbraw/zinc/01/17/62/511011762.db2.gz OZNOXZKRQUNOCZ-DZGCQCFKSA-N -1 1 362.382 2.990 20 10 FFCDMM COC(=O)C(C)(C)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000287003967 511038507 /nfs/dbraw/zinc/03/85/07/511038507.db2.gz RBKJUQCWJZVRKH-UHFFFAOYSA-N -1 1 373.247 2.543 20 10 FFCDMM CC(C)CO[C@@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000295134146 511293456 /nfs/dbraw/zinc/29/34/56/511293456.db2.gz ILJHAJMXWYAIJZ-JTQLQIEISA-N -1 1 367.377 2.626 20 10 FFCDMM C[C@@H]1C[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000367682943 512613867 /nfs/dbraw/zinc/61/38/67/512613867.db2.gz JAUIWYZBNJKYPJ-CKEIUWERSA-N -1 1 366.889 2.941 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000739794418 600315393 /nfs/dbraw/zinc/31/53/93/600315393.db2.gz ZBOXALPIAVHHFT-MRXNPFEDSA-N -1 1 353.777 2.805 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(F)cc1 ZINC000739794418 600315395 /nfs/dbraw/zinc/31/53/95/600315395.db2.gz ZBOXALPIAVHHFT-MRXNPFEDSA-N -1 1 353.777 2.805 20 10 FFCDMM COc1ccc(O)c([C@@H](C)Nc2snc(Cl)c2-c2nnn[n-]2)c1 ZINC000826210323 608182380 /nfs/dbraw/zinc/18/23/80/608182380.db2.gz MUFAIVFNZCRCAH-ZCFIWIBFSA-N -1 1 352.807 2.864 20 10 FFCDMM COc1ccc(O)c([C@@H](C)Nc2snc(Cl)c2-c2nn[n-]n2)c1 ZINC000826210323 608182382 /nfs/dbraw/zinc/18/23/82/608182382.db2.gz MUFAIVFNZCRCAH-ZCFIWIBFSA-N -1 1 352.807 2.864 20 10 FFCDMM Cc1ccc(C)n1-c1ccsc1C(=O)NCCc1n[n-]c(=S)n1C ZINC000067051079 728180178 /nfs/dbraw/zinc/18/01/78/728180178.db2.gz QPQPRWHYYDNQTR-UHFFFAOYSA-N -1 1 361.496 2.919 20 10 FFCDMM O=C(/C=C/c1ccc(O)c(O)c1)Nc1nc(Br)ccc1[O-] ZINC000194575342 729514271 /nfs/dbraw/zinc/51/42/71/729514271.db2.gz WWECFSBRMFZFLF-QHHAFSJGSA-N -1 1 351.156 2.613 20 10 FFCDMM C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000857864245 730413157 /nfs/dbraw/zinc/41/31/57/730413157.db2.gz GJADKZJGVIURBU-BXKDBHETSA-N -1 1 364.243 2.860 20 10 FFCDMM O=C(COc1ccc(F)cc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782099333 738688531 /nfs/dbraw/zinc/68/85/31/738688531.db2.gz XNFIMOFTSDUCFD-UHFFFAOYSA-N -1 1 354.717 2.695 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@]1(c2ccccc2)CCC(=O)NC1 ZINC000890759909 734336802 /nfs/dbraw/zinc/33/68/02/734336802.db2.gz VNRIYRXMHIKNJQ-LJQANCHMSA-N -1 1 358.825 2.510 20 10 FFCDMM CCO[C@@H](C)c1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)s1 ZINC000783903753 738847448 /nfs/dbraw/zinc/84/74/48/738847448.db2.gz NQULFZWPTZZPMT-VIFPVBQESA-N -1 1 351.380 2.692 20 10 FFCDMM CC(=O)N(C)C1CCN(Cc2cc(Br)cc(F)c2[O-])CC1 ZINC000893978921 734780904 /nfs/dbraw/zinc/78/09/04/734780904.db2.gz YHMTXTYAEZVHFO-UHFFFAOYSA-N -1 1 359.239 2.737 20 10 FFCDMM CS(=O)(=O)C1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCCC1 ZINC000895780976 735054934 /nfs/dbraw/zinc/05/49/34/735054934.db2.gz WGVRRNOWCGIAQC-UHFFFAOYSA-N -1 1 374.890 2.592 20 10 FFCDMM Cn1cc(C[C@H]2CCC[C@@H]2NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000895808843 735057953 /nfs/dbraw/zinc/05/79/53/735057953.db2.gz UFYNSRONKXOQJM-CJNGLKHVSA-N -1 1 362.861 2.990 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897198826 735205749 /nfs/dbraw/zinc/20/57/49/735205749.db2.gz BZIUVZWRKXLALJ-JSGCOSHPSA-N -1 1 369.259 2.912 20 10 FFCDMM CC(C)Cn1ccc(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000897577289 735251018 /nfs/dbraw/zinc/25/10/18/735251018.db2.gz UZRUTYRLYKNLIM-UHFFFAOYSA-N -1 1 352.232 2.937 20 10 FFCDMM Cc1ccc(CCNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000764780221 737048533 /nfs/dbraw/zinc/04/85/33/737048533.db2.gz MHUZWPJXXGGSMA-UHFFFAOYSA-N -1 1 364.243 2.900 20 10 FFCDMM CC(C)n1ccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764784090 737049499 /nfs/dbraw/zinc/04/94/99/737049499.db2.gz OAJWKWHONMZNRP-UHFFFAOYSA-N -1 1 367.247 2.932 20 10 FFCDMM O=[N+]([O-])c1cnc2ccc(NCc3cccc(Br)c3[O-])nn21 ZINC000764934805 737065142 /nfs/dbraw/zinc/06/51/42/737065142.db2.gz MJRZTYXAYMSOKF-UHFFFAOYSA-N -1 1 364.159 2.718 20 10 FFCDMM NC(=O)Nc1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765753834 737154212 /nfs/dbraw/zinc/15/42/12/737154212.db2.gz QIWQPUZYQWDRSR-UHFFFAOYSA-N -1 1 364.199 2.575 20 10 FFCDMM O=C(Cn1cc2ccccc2n1)NCc1cccc(Br)c1[O-] ZINC000765764103 737155666 /nfs/dbraw/zinc/15/56/66/737155666.db2.gz IVWMKVPWYOIFIO-UHFFFAOYSA-N -1 1 360.211 2.821 20 10 FFCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766200637 737206586 /nfs/dbraw/zinc/20/65/86/737206586.db2.gz MXPOKRFGFPEYPX-UHFFFAOYSA-N -1 1 356.241 2.942 20 10 FFCDMM O=[N+]([O-])c1cc(F)c(S(=O)(=O)[N-]Cc2ccccc2O)cc1Cl ZINC000809818266 741347509 /nfs/dbraw/zinc/34/75/09/741347509.db2.gz GKXNTKPWLOYZGY-UHFFFAOYSA-N -1 1 360.750 2.571 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc3ncsc3c2)c1 ZINC000919814361 737878936 /nfs/dbraw/zinc/87/89/36/737878936.db2.gz RDUGJOICXVDRSL-UHFFFAOYSA-N -1 1 363.420 2.626 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@@H](C)c2ccccc2Cl)C(=O)[N-]C1=S ZINC000920980415 737937924 /nfs/dbraw/zinc/93/79/24/737937924.db2.gz MTMNIHJGJIUOAQ-ZWSXMNCCSA-N -1 1 365.886 2.774 20 10 FFCDMM CO[C@@H](C(=O)NCc1cccc(Br)c1[O-])c1ccc(O)cc1 ZINC000787580284 739148080 /nfs/dbraw/zinc/14/80/80/739148080.db2.gz GVWNQPJNFXHQRZ-OAHLLOKOSA-N -1 1 366.211 2.864 20 10 FFCDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1 ZINC000792703012 739696051 /nfs/dbraw/zinc/69/60/51/739696051.db2.gz NSBDHIYZFORANF-UHFFFAOYSA-N -1 1 369.464 2.940 20 10 FFCDMM O=C1CNC(=O)N1c1cc(NCc2cc(Cl)cc(F)c2[O-])ccc1F ZINC000793358164 739772846 /nfs/dbraw/zinc/77/28/46/739772846.db2.gz BMBVZAJCXWRKME-UHFFFAOYSA-N -1 1 367.739 2.992 20 10 FFCDMM COC(=O)c1cc(O)ccc1[N-]S(=O)(=O)CCc1cccc(Cl)c1 ZINC000795349007 740007931 /nfs/dbraw/zinc/00/79/31/740007931.db2.gz RDEGZHAOLKPBRT-UHFFFAOYSA-N -1 1 369.826 2.817 20 10 FFCDMM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)ccnc2Cl)c(O)c1 ZINC000795358087 740009822 /nfs/dbraw/zinc/00/98/22/740009822.db2.gz WPTKIEONMBOGBT-UHFFFAOYSA-N -1 1 363.222 2.581 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)ccc1O ZINC000797819331 740275791 /nfs/dbraw/zinc/27/57/91/740275791.db2.gz GGDRFYBQYKLULU-UHFFFAOYSA-N -1 1 356.331 2.557 20 10 FFCDMM CC[C@](O)(C(=O)OCC(=O)c1ccc([O-])c(O)c1)c1cccc(Cl)c1 ZINC000800322791 740513252 /nfs/dbraw/zinc/51/32/52/740513252.db2.gz XIVUHJIXOVCHPG-GOSISDBHSA-N -1 1 364.781 2.775 20 10 FFCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1cccc2nsnc21 ZINC000808113490 741187944 /nfs/dbraw/zinc/18/79/44/741187944.db2.gz ARIRUBFYKJFSII-UHFFFAOYSA-N -1 1 359.791 2.990 20 10 FFCDMM CN(CCO)Cc1cc(NCc2cc([N+](=O)[O-])ccc2[O-])ccc1Cl ZINC000808411846 741223477 /nfs/dbraw/zinc/22/34/77/741223477.db2.gz MKHKMOUYUWLSHX-UHFFFAOYSA-N -1 1 365.817 2.990 20 10 FFCDMM C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000817769968 742210193 /nfs/dbraw/zinc/21/01/93/742210193.db2.gz XIQQLSOXPYZCFX-MNOVXSKESA-N -1 1 353.390 2.677 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]([C@@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124877 743214438 /nfs/dbraw/zinc/21/44/38/743214438.db2.gz ZZOUDRCZUDBZMJ-JVXZTZIISA-N -1 1 354.712 2.699 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])cc(C)c1C ZINC000840915796 747223820 /nfs/dbraw/zinc/22/38/20/747223820.db2.gz TWKXEPMBUFFSCD-UHFFFAOYSA-N -1 1 366.395 2.864 20 10 FFCDMM CCOC(=O)C1(C(=O)NCc2cccc(Br)c2[O-])CCCC1 ZINC000843868101 747916184 /nfs/dbraw/zinc/91/61/84/747916184.db2.gz XHVRBTJDXNLISJ-UHFFFAOYSA-N -1 1 370.243 2.894 20 10 FFCDMM C[C@@H](C[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000844145672 747978159 /nfs/dbraw/zinc/97/81/59/747978159.db2.gz CDSOJWKKXWULAP-UWVGGRQHSA-N -1 1 356.394 2.659 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000890760686 960324082 /nfs/dbraw/zinc/32/40/82/960324082.db2.gz WCDLANCYTWNLQE-HNNXBMFYSA-N -1 1 373.840 2.609 20 10 FFCDMM O=C1N(CC2CCCC2)C[C@@]2(F)CN(Cc3c([O-])cccc3F)C[C@@]12F ZINC001276037994 1013349456 /nfs/dbraw/zinc/34/94/56/1013349456.db2.gz OYNOAZMVKRGWGW-RBUKOAKNSA-N -1 1 368.399 2.796 20 10 FFCDMM COc1ccc(N2CCN(Cc3ccc(C(=O)[O-])cc3)CC2)c(OC)c1 ZINC000873643671 1013567031 /nfs/dbraw/zinc/56/70/31/1013567031.db2.gz KMGDVMSXYWNQJD-UHFFFAOYSA-N -1 1 356.422 2.724 20 10 FFCDMM COc1ccccc1-c1nnc(SCC(=O)c2ccc([O-])c(O)c2)n1C ZINC000021957398 979096943 /nfs/dbraw/zinc/09/69/43/979096943.db2.gz WTOJENOIUZNCPC-UHFFFAOYSA-N -1 1 371.418 2.877 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@H]2NC(C)(C)C(=O)N2CC2CCCCC2)c1 ZINC000877857465 1014750957 /nfs/dbraw/zinc/75/09/57/1014750957.db2.gz ROWPRVOXPVJDRO-KRWDZBQOSA-N -1 1 360.454 2.968 20 10 FFCDMM COc1cc(CN(CC(=O)[O-])Cc2cc(F)cc(F)c2O)cc(OC)c1 ZINC001599405854 997298912 /nfs/dbraw/zinc/29/89/12/997298912.db2.gz MNHMEBNFUZRTAL-UHFFFAOYSA-N -1 1 367.348 2.774 20 10 FFCDMM CO[C@@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])[C@H](C(=O)[O-])C1 ZINC001599125178 997829781 /nfs/dbraw/zinc/82/97/81/997829781.db2.gz ZDILUHUIIQFQSW-YPMHNXCESA-N -1 1 358.232 2.527 20 10 FFCDMM COc1cc(NCc2ccc(N3CCN(C)CC3)cc2)ccc1C(=O)[O-] ZINC001599444122 997979182 /nfs/dbraw/zinc/97/91/82/997979182.db2.gz WWMQAQUSFGGPSR-UHFFFAOYSA-N -1 1 355.438 2.757 20 10 FFCDMM Cc1cccc(NC(=S)NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)c1 ZINC000769795362 1000604042 /nfs/dbraw/zinc/60/40/42/1000604042.db2.gz ROLUFHCXLZHCOA-UHFFFAOYSA-N -1 1 371.470 2.909 20 10 FFCDMM CC[C@@H](C)N1C[C@@]2(F)CN(Cc3cc(F)c(F)cc3[O-])C[C@@]2(F)C1=O ZINC001276193227 1016508693 /nfs/dbraw/zinc/50/86/93/1016508693.db2.gz WXUCSMZUXHAJNH-GPNNCHTKSA-N -1 1 360.351 2.543 20 10 FFCDMM O=C(CNc1ncc([N+](=O)[O-])cc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001170315002 1003104127 /nfs/dbraw/zinc/10/41/27/1003104127.db2.gz OHEPIOUGVIDQLC-UHFFFAOYSA-N -1 1 357.244 2.715 20 10 FFCDMM O=C(CNc1cccc(C=C2CCCNC2=O)c1)c1ccc([O-])c(O)c1 ZINC001170322273 1003110472 /nfs/dbraw/zinc/11/04/72/1003110472.db2.gz ITOZOLKNRWAMJZ-OQLLNIDSSA-N -1 1 352.390 2.686 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@H](Cc3ccccc3)C2)ccc1[N+](=O)[O-] ZINC000775052533 1003433504 /nfs/dbraw/zinc/43/35/04/1003433504.db2.gz UYWJJGMDBBAMGH-MRXNPFEDSA-N -1 1 358.394 2.753 20 10 FFCDMM O=C(CNC(=S)NCc1ccccc1Cl)c1ccc([O-])c(O)c1 ZINC001196844024 1003977474 /nfs/dbraw/zinc/97/74/74/1003977474.db2.gz JXZONNVKGQJORS-UHFFFAOYSA-N -1 1 350.827 2.598 20 10 FFCDMM COc1cc2c(cc1OC)[C@H](CNC(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193255468 1004422483 /nfs/dbraw/zinc/42/24/83/1004422483.db2.gz YLUMWHKRXIHJEG-JTQLQIEISA-N -1 1 363.797 2.838 20 10 FFCDMM COC(=O)Cc1c(F)ccc(NC(=O)c2ccc(O)c([O-])c2Cl)c1F ZINC001193229832 1004429516 /nfs/dbraw/zinc/42/95/16/1004429516.db2.gz OCQOPGOVJYBBAD-UHFFFAOYSA-N -1 1 371.723 2.997 20 10 FFCDMM COC(=O)c1n[nH]c2cccc(NC(=O)c3ccc(O)c([O-])c3Cl)c21 ZINC001193230250 1004429706 /nfs/dbraw/zinc/42/97/06/1004429706.db2.gz SEJVWJRCVDTECJ-UHFFFAOYSA-N -1 1 361.741 2.666 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC001202359780 1005344846 /nfs/dbraw/zinc/34/48/46/1005344846.db2.gz IOHDBQVTMKNHFZ-ZDUSSCGKSA-N -1 1 359.813 2.971 20 10 FFCDMM CN1CCC[C@H]1C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000817372559 1007567687 /nfs/dbraw/zinc/56/76/87/1007567687.db2.gz JHTOYNPEVGSXEU-INIZCTEOSA-N -1 1 354.450 2.855 20 10 FFCDMM CN1CCC[C@H]1C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000817372559 1007567698 /nfs/dbraw/zinc/56/76/98/1007567698.db2.gz JHTOYNPEVGSXEU-INIZCTEOSA-N -1 1 354.450 2.855 20 10 FFCDMM CCN1C[C@H](CN(C)C(=O)c2c(F)ccc(O)c2[O-])Oc2ccccc21 ZINC000823771082 1009220900 /nfs/dbraw/zinc/22/09/00/1009220900.db2.gz QTHXZPHWOXQKCD-LBPRGKRZSA-N -1 1 360.385 2.596 20 10 FFCDMM COc1c([O-])c(CN(C)[C@H](c2nc[nH]n2)c2ccccc2)ccc1[N+](=O)[O-] ZINC001182237608 1010460381 /nfs/dbraw/zinc/46/03/81/1010460381.db2.gz DYMPWUWPHCQZEQ-HNNXBMFYSA-N -1 1 369.381 2.649 20 10 FFCDMM CC[C@H](C)N1CC[C@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274705911 1011603894 /nfs/dbraw/zinc/60/38/94/1011603894.db2.gz HTDQFTIOUFAZRJ-BBATYDOGSA-N -1 1 366.845 2.757 20 10 FFCDMM Cc1cc(CC(=O)NC2(c3nn[n-]n3)CCCC2)c(C)n1-c1ccccc1 ZINC000828082730 1032595817 /nfs/dbraw/zinc/59/58/17/1032595817.db2.gz GURBSGFOYMJENR-UHFFFAOYSA-N -1 1 364.453 2.735 20 10 FFCDMM O=C(c1cnc(C2CC2)[n-]c1=O)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000901174669 1018792633 /nfs/dbraw/zinc/79/26/33/1018792633.db2.gz GNZCNUNQHHSDDQ-OAHLLOKOSA-N -1 1 369.421 2.587 20 10 FFCDMM COc1ccc(N2CCC(NC(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000187968867 1022979695 /nfs/dbraw/zinc/97/96/95/1022979695.db2.gz USTQNGYZJAUXFL-UHFFFAOYSA-N -1 1 351.406 2.671 20 10 FFCDMM N#Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)cc1[O-] ZINC000189000972 1023184474 /nfs/dbraw/zinc/18/44/74/1023184474.db2.gz PEFGLMOKXOETRR-KRWDZBQOSA-N -1 1 352.390 2.791 20 10 FFCDMM Cn1cc(C[N@@H+](C)Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])cn1 ZINC000076919041 1023495510 /nfs/dbraw/zinc/49/55/10/1023495510.db2.gz MRZIJIYCWTYMMZ-UHFFFAOYSA-N -1 1 351.406 2.694 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(N2CCNC2=O)ccc1F ZINC001159034059 1027237655 /nfs/dbraw/zinc/23/76/55/1027237655.db2.gz QASNXFKYXAISGZ-UHFFFAOYSA-N -1 1 363.776 2.644 20 10 FFCDMM CCCCC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034421 1027238440 /nfs/dbraw/zinc/23/84/40/1027238440.db2.gz VVNNURDGHAAWGV-ZDUSSCGKSA-N -1 1 356.875 2.754 20 10 FFCDMM CN(C)[C@]1(C(=O)NCc2cccc(Cl)c2[O-])COc2ccccc2C1 ZINC001159041597 1027242299 /nfs/dbraw/zinc/24/22/99/1027242299.db2.gz UABVBJVYRSVBCN-IBGZPJMESA-N -1 1 360.841 2.597 20 10 FFCDMM O=C(CNC(F)(F)c1cc(Cl)nc(Cl)n1)c1ccc([O-])c(O)c1 ZINC001159273168 1027331774 /nfs/dbraw/zinc/33/17/74/1027331774.db2.gz TTXKGNSFSCBTPB-UHFFFAOYSA-N -1 1 364.135 2.716 20 10 FFCDMM COc1ccc2nc(Cl)nc(NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001159273443 1027332089 /nfs/dbraw/zinc/33/20/89/1027332089.db2.gz WRXDSZQRQXHWNQ-UHFFFAOYSA-N -1 1 359.769 2.998 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(Cl)c(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c1 ZINC001152994365 1027736604 /nfs/dbraw/zinc/73/66/04/1027736604.db2.gz OKKSEPQMDYWHFZ-ZDUSSCGKSA-N -1 1 370.844 2.890 20 10 FFCDMM CCCOC(=O)C[C@@H](CNC(=O)c1c(F)ccc(O)c1[O-])CC(C)C ZINC001161609655 1028250832 /nfs/dbraw/zinc/25/08/32/1028250832.db2.gz OSCXQNBQLCXRCK-LBPRGKRZSA-N -1 1 355.406 2.972 20 10 FFCDMM Cc1cc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c2ccnc-2[nH]1 ZINC001155223029 1028631882 /nfs/dbraw/zinc/63/18/82/1028631882.db2.gz YGQKCPOTVDJJOB-UHFFFAOYSA-N -1 1 351.318 2.593 20 10 FFCDMM Cc1cccc(C2(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)CC2)c1 ZINC001155235383 1028641763 /nfs/dbraw/zinc/64/17/63/1028641763.db2.gz MDSSPRMWHXHDGY-UHFFFAOYSA-N -1 1 351.358 2.932 20 10 FFCDMM O=C(N[C@H]1CCc2c1c(F)ccc2F)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235126 1028642105 /nfs/dbraw/zinc/64/21/05/1028642105.db2.gz HGAMQVWSZJZRCM-ZDUSSCGKSA-N -1 1 373.311 2.900 20 10 FFCDMM O=C(N[C@@H](c1ncccc1F)C1CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235971 1028642253 /nfs/dbraw/zinc/64/22/53/1028642253.db2.gz WOVPRQWOWUKJKJ-MRXNPFEDSA-N -1 1 370.336 2.619 20 10 FFCDMM Cc1ccn(-c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2)n1 ZINC000782940072 1029857433 /nfs/dbraw/zinc/85/74/33/1029857433.db2.gz GBIKWRPTCNEQFD-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM O=C(COC(=O)c1cc2cc([N+](=O)[O-])ccc2o1)c1ccc([O-])c(O)c1 ZINC000782964380 1029865241 /nfs/dbraw/zinc/86/52/41/1029865241.db2.gz UQWWDXATKXEXMX-UHFFFAOYSA-N -1 1 357.274 2.792 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000840931453 1029931268 /nfs/dbraw/zinc/93/12/68/1029931268.db2.gz WCWZLTYAWUNLAB-CQSZACIVSA-N -1 1 364.449 2.659 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(c3ncccc3F)CC2)c1O ZINC000784400559 1030602816 /nfs/dbraw/zinc/60/28/16/1030602816.db2.gz YPBBENZAIXNFAX-UHFFFAOYSA-N -1 1 361.392 2.980 20 10 FFCDMM O=C(CCc1cc2ccccc2[nH]c1=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784473384 1030637783 /nfs/dbraw/zinc/63/77/83/1030637783.db2.gz SAXAMKAZZVJOJE-UHFFFAOYSA-N -1 1 367.357 2.710 20 10 FFCDMM O=C(CO[C@@H]1CCCc2ccccc21)OCC(=O)c1ccc([O-])c(O)c1 ZINC000797491233 1031130678 /nfs/dbraw/zinc/13/06/78/1031130678.db2.gz NSSKUQDCNIQMHM-LJQANCHMSA-N -1 1 356.374 2.918 20 10 FFCDMM CCCCN1C[C@@]2(F)CN(Cc3c([O-])ccc(F)c3F)C[C@@]2(F)C1=O ZINC001277099330 1034528046 /nfs/dbraw/zinc/52/80/46/1034528046.db2.gz ZEXKVZUXGARBAP-DLBZAZTESA-N -1 1 360.351 2.545 20 10 FFCDMM CO[C@@H](C)CO[C@H](C)COc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578802 1035616503 /nfs/dbraw/zinc/61/65/03/1035616503.db2.gz XVDMUOQTEYAQSY-QWHCGFSZSA-N -1 1 370.401 2.986 20 10 FFCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@@H]3CCOC3)c21 ZINC001228187124 1035981449 /nfs/dbraw/zinc/98/14/49/1035981449.db2.gz ZCPLESKHQPEYOQ-WBMJQRKESA-N -1 1 358.346 2.678 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CCOC[C@H]1F)C(=O)c1ccccc1C2=O ZINC001229828728 1036923703 /nfs/dbraw/zinc/92/37/03/1036923703.db2.gz FBXFYNJXQSKCAH-GDBMZVCRSA-N -1 1 356.349 2.982 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CCN(C[C@H]2CCCO2)CC1 ZINC001235302074 1037461326 /nfs/dbraw/zinc/46/13/26/1037461326.db2.gz LUCMGQPIKMUHNC-CQSZACIVSA-N -1 1 373.266 2.590 20 10 FFCDMM CCCCN1C[C@]2(CCN(Cc3cc(F)cc(Cl)c3[O-])C2)OCC1=O ZINC001277506657 1037534441 /nfs/dbraw/zinc/53/44/41/1037534441.db2.gz JHBWEYXIKFZKJH-GOSISDBHSA-N -1 1 370.852 2.788 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3ccc4c(c3)CCC4=O)CC2)c1 ZINC001231568624 1037691761 /nfs/dbraw/zinc/69/17/61/1037691761.db2.gz OGGYSEOXPVFSOZ-UHFFFAOYSA-N -1 1 366.417 2.542 20 10 FFCDMM CO[C@@H]1CN(Cc2cccc(Cl)c2[O-])C[C@@H]1NC(=O)OC(C)(C)C ZINC001231912912 1038011796 /nfs/dbraw/zinc/01/17/96/1038011796.db2.gz AIHIQGFJQCLUEL-UONOGXRCSA-N -1 1 356.850 2.770 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC[C@](O)(CF)[C@@H](F)C2)c1 ZINC001236663673 1038179086 /nfs/dbraw/zinc/17/90/86/1038179086.db2.gz OXIPRIWXYGCRGO-JSGCOSHPSA-N -1 1 350.203 2.708 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2C[C@@H](CO)CC(F)(F)C2)c1 ZINC001236662238 1038179694 /nfs/dbraw/zinc/17/96/94/1038179694.db2.gz AUUFAVMTMPXYRC-JTQLQIEISA-N -1 1 350.203 2.913 20 10 FFCDMM CCOC[C@@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2nnn(CC)c21 ZINC001237122840 1038450421 /nfs/dbraw/zinc/45/04/21/1038450421.db2.gz XPVPZGQZHITZHW-NSHDSACASA-N -1 1 368.840 2.932 20 10 FFCDMM CCS(=O)(=O)[N-]c1ccc(Br)cc1C(=O)c1ccccn1 ZINC001253361294 1040134913 /nfs/dbraw/zinc/13/49/13/1040134913.db2.gz ODHRQNGRGQNXJX-UHFFFAOYSA-N -1 1 369.240 2.837 20 10 FFCDMM COc1ccc(CN2CCC[C@@H](F)C2)c([O-])c1I ZINC001248490359 1040299159 /nfs/dbraw/zinc/29/91/59/1040299159.db2.gz ZGZRIRXIAYTCAH-SNVBAGLBSA-N -1 1 365.186 2.939 20 10 FFCDMM CC[C@H](C)n1nc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])cc1C ZINC001338814047 1055841104 /nfs/dbraw/zinc/84/11/04/1055841104.db2.gz NJNMUDSEKZOMMY-JTQLQIEISA-N -1 1 364.833 2.776 20 10 FFCDMM C[C@H](NCc1cc([O-])ccc1[N+](=O)[O-])c1ccc(N2CCOCC2)cc1 ZINC000763410379 1061246557 /nfs/dbraw/zinc/24/65/57/1061246557.db2.gz KJTAXDCIXFUHNS-AWEZNQCLSA-N -1 1 357.410 2.988 20 10 FFCDMM Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1N(C)C ZINC001475775031 1061265882 /nfs/dbraw/zinc/26/58/82/1061265882.db2.gz YIXCPBPCDFNOIU-UHFFFAOYSA-N -1 1 354.859 2.899 20 10 FFCDMM Cc1c(Cl)c(C(=O)NCc2cccc(Br)c2[O-])nn1C ZINC001556481244 1075745651 /nfs/dbraw/zinc/74/56/51/1075745651.db2.gz OTDUKBIQSHJCLN-UHFFFAOYSA-N -1 1 358.623 2.780 20 10 FFCDMM CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000016498510 507094216 /nfs/dbraw/zinc/09/42/16/507094216.db2.gz JXRAHBDLQSCVAI-UHFFFAOYSA-N -1 1 370.409 2.958 20 10 FFCDMM CN(C)C(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000111995538 508142748 /nfs/dbraw/zinc/14/27/48/508142748.db2.gz JLUBQKUUVBUZMR-UHFFFAOYSA-N -1 1 373.478 2.789 20 10 FFCDMM COc1ccc(OC)c([C@@H](C)NC(=O)CN(C)Cc2ccccc2O)c1 ZINC000264604571 509618195 /nfs/dbraw/zinc/61/81/95/509618195.db2.gz LEMAZCUAHIJVFM-CQSZACIVSA-N -1 1 358.438 2.719 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)c(C)c(C)c1O ZINC000194663682 510469590 /nfs/dbraw/zinc/46/95/90/510469590.db2.gz JISZWEBPNJVTJY-UHFFFAOYSA-N -1 1 362.451 2.820 20 10 FFCDMM Cc1n[nH]c(C)c1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277387673 510962394 /nfs/dbraw/zinc/96/23/94/510962394.db2.gz AHYGKSRLPWCLDD-UHFFFAOYSA-N -1 1 352.232 2.744 20 10 FFCDMM CCc1nn(C)c(NCc2cccc(Br)c2[O-])c1[N+](=O)[O-] ZINC000277509198 510964821 /nfs/dbraw/zinc/96/48/21/510964821.db2.gz UDQZGNQBSUMIJO-UHFFFAOYSA-N -1 1 355.192 2.971 20 10 FFCDMM COc1c(O)c(C[NH2+][C@@H](C[S@@](C)=O)c2ccccc2)ccc1[N+](=O)[O-] ZINC000278473368 510993824 /nfs/dbraw/zinc/99/38/24/510993824.db2.gz HVTIPNOYBITLOG-HWRSSNJWSA-N -1 1 364.423 2.518 20 10 FFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)NCc1c(C)c2ccccc2n1C ZINC000527474800 517696351 /nfs/dbraw/zinc/69/63/51/517696351.db2.gz HTYHRBBPAOPPOW-UHFFFAOYSA-N -1 1 356.451 2.943 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1C1CCCCC1 ZINC000823504481 599310100 /nfs/dbraw/zinc/31/01/00/599310100.db2.gz QQOKHQHNCJRRBU-XYOKQWHBSA-N -1 1 361.452 2.994 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1C1CCCCC1 ZINC000823504481 599310103 /nfs/dbraw/zinc/31/01/03/599310103.db2.gz QQOKHQHNCJRRBU-XYOKQWHBSA-N -1 1 361.452 2.994 20 10 FFCDMM COC(=O)c1ccccc1C[N@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833717724 604636842 /nfs/dbraw/zinc/63/68/42/604636842.db2.gz URHACJBYKVAVGP-UHFFFAOYSA-N -1 1 363.797 2.919 20 10 FFCDMM COC(=O)c1ccccc1C[N@@H+](CC(=O)[O-])Cc1cc(Cl)ccc1[O-] ZINC000833717724 604636844 /nfs/dbraw/zinc/63/68/44/604636844.db2.gz URHACJBYKVAVGP-UHFFFAOYSA-N -1 1 363.797 2.919 20 10 FFCDMM CCc1noc(C[C@@]2(O)CCCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC000856595181 730346557 /nfs/dbraw/zinc/34/65/57/730346557.db2.gz PSESZXAMRITKGS-KRWDZBQOSA-N -1 1 369.824 2.700 20 10 FFCDMM COc1ccc([C@@]2(C(=O)NCc3cccc(Cl)c3[O-])C[C@@H](O)C2)cc1 ZINC000890761373 734337166 /nfs/dbraw/zinc/33/71/66/734337166.db2.gz PTJSYDJHNYUTCK-QUWSVYMGSA-N -1 1 361.825 2.763 20 10 FFCDMM CC(C)(C)OC(=O)NC/C=C\CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000894910857 734935419 /nfs/dbraw/zinc/93/54/19/734935419.db2.gz RZVFYRZMIBZVEQ-PLNGDYQASA-N -1 1 369.849 2.926 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H](n1cccn1)C(F)(F)F ZINC000895954195 735079610 /nfs/dbraw/zinc/07/96/10/735079610.db2.gz KARIGYGFAQVNPV-LLVKDONJSA-N -1 1 362.739 2.845 20 10 FFCDMM Cc1cc(C(=O)OCc2nc(=O)n(C)[n-]2)c(C)n1-c1ccc(Cl)cc1 ZINC000765458426 737120799 /nfs/dbraw/zinc/12/07/99/737120799.db2.gz IVVQQFOMKDSFML-UHFFFAOYSA-N -1 1 360.801 2.526 20 10 FFCDMM Cc1ccc(C(=O)NCc2cccc(Br)c2[O-])c(O)c1O ZINC000765728736 737149445 /nfs/dbraw/zinc/14/94/45/737149445.db2.gz MBMQHOAOMLHNMB-UHFFFAOYSA-N -1 1 352.184 2.804 20 10 FFCDMM Cn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C(F)F ZINC000765731690 737149934 /nfs/dbraw/zinc/14/99/34/737149934.db2.gz KBWATXSZGMCPCY-UHFFFAOYSA-N -1 1 360.158 2.756 20 10 FFCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cscc1Br ZINC000803772725 740825893 /nfs/dbraw/zinc/82/58/93/740825893.db2.gz VXUJWUKXOMYOEP-UHFFFAOYSA-N -1 1 357.181 2.962 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(-n2cncn2)c1 ZINC000765750437 737153810 /nfs/dbraw/zinc/15/38/10/737153810.db2.gz GSGMYVPRRGNDTH-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM CC(C)(C)OC(=O)CCC(=O)NCc1cccc(Br)c1[O-] ZINC000765778396 737157986 /nfs/dbraw/zinc/15/79/86/737157986.db2.gz YPHOFMHLCDSPAL-UHFFFAOYSA-N -1 1 358.232 2.893 20 10 FFCDMM COc1ccc(S(=O)(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000766202011 737206951 /nfs/dbraw/zinc/20/69/51/737206951.db2.gz YPIYHAGUIOTFAV-UHFFFAOYSA-N -1 1 372.240 2.642 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]OCC(F)F)C1 ZINC000768209191 737406914 /nfs/dbraw/zinc/40/69/14/737406914.db2.gz DNDSDWLBGLPAAU-UHFFFAOYSA-N -1 1 351.397 2.721 20 10 FFCDMM O=C(C=Cc1ccc(Br)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590053 737713456 /nfs/dbraw/zinc/71/34/56/737713456.db2.gz BUHFVOJTGDQUTL-UTCJRWHESA-N -1 1 367.151 2.893 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2cccc(Cl)c2F)C(=O)[N-]C1=S ZINC000920979963 737937865 /nfs/dbraw/zinc/93/78/65/737937865.db2.gz NWWNICWZMVVHNY-RMKNXTFCSA-N -1 1 355.822 2.674 20 10 FFCDMM COc1c([O-])c(CN[C@H](C(=O)OC(C)(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000775038619 738055773 /nfs/dbraw/zinc/05/57/73/738055773.db2.gz XMGOZLGROWQXBO-ZDUSSCGKSA-N -1 1 354.403 2.765 20 10 FFCDMM O=C(CCc1ccc(=O)[nH]c1)NCc1cccc(Br)c1[O-] ZINC000787583247 739148726 /nfs/dbraw/zinc/14/87/26/739148726.db2.gz YOOSOPNELQCJIN-UHFFFAOYSA-N -1 1 351.200 2.504 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccn(C2CCOCC2)n1 ZINC000931950617 739358463 /nfs/dbraw/zinc/35/84/63/739358463.db2.gz UQDVFHVGGYFYPY-UHFFFAOYSA-N -1 1 350.806 2.915 20 10 FFCDMM CN(Cc1cc(Br)cn1C)C(=O)c1c([O-])c(O)ccc1F ZINC000789990631 739403274 /nfs/dbraw/zinc/40/32/74/739403274.db2.gz TVELWOXDYPXNJW-UHFFFAOYSA-N -1 1 357.179 2.610 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)ccc1Cl ZINC000797819229 740275939 /nfs/dbraw/zinc/27/59/39/740275939.db2.gz AMHXUUPAQABHBS-UHFFFAOYSA-N -1 1 371.798 2.642 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)ccc1O ZINC000797819977 740275985 /nfs/dbraw/zinc/27/59/85/740275985.db2.gz ZUFDZTXEKOVQHQ-UHFFFAOYSA-N -1 1 352.368 2.727 20 10 FFCDMM CC(C)(C)CS(=O)(=O)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000799776242 740450533 /nfs/dbraw/zinc/45/05/33/740450533.db2.gz ONBCGTPLIXMQTH-OAHLLOKOSA-N -1 1 374.934 2.976 20 10 FFCDMM NC(=O)NC(=O)c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000801734311 740646421 /nfs/dbraw/zinc/64/64/21/740646421.db2.gz AASPTESONXJEMX-UHFFFAOYSA-N -1 1 364.199 2.575 20 10 FFCDMM O=C1CN(Cc2cccc(NCc3cc(Cl)c(F)cc3[O-])c2)CCN1 ZINC000816617005 742047527 /nfs/dbraw/zinc/04/75/27/742047527.db2.gz LSKYWFSPKJLMPN-UHFFFAOYSA-N -1 1 363.820 2.729 20 10 FFCDMM CO[C@]12CCC[C@@]1(C(=O)NCc1cccc(Br)c1[O-])CCO2 ZINC000822458106 742736914 /nfs/dbraw/zinc/73/69/14/742736914.db2.gz DSXRGLRNDWUCTB-HOTGVXAUSA-N -1 1 370.243 2.704 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@H]([C@H](O)C(F)(F)F)C2)c1[O-] ZINC000825124879 743214654 /nfs/dbraw/zinc/21/46/54/743214654.db2.gz ZZOUDRCZUDBZMJ-MADCSZMMSA-N -1 1 354.712 2.699 20 10 FFCDMM COc1c([O-])c(CN(C)Cc2csc(C(C)(C)O)n2)ccc1[N+](=O)[O-] ZINC000825153694 743219873 /nfs/dbraw/zinc/21/98/73/743219873.db2.gz RQROJFBTSDKLNT-UHFFFAOYSA-N -1 1 367.427 2.625 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OC)c(F)c1C ZINC000840918595 747225638 /nfs/dbraw/zinc/22/56/38/747225638.db2.gz VZGYLFJBQDCQJG-UHFFFAOYSA-N -1 1 355.387 2.796 20 10 FFCDMM CCN(Cc1ccc(Cl)s1)Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000846231877 748435977 /nfs/dbraw/zinc/43/59/77/748435977.db2.gz OHSAFJVNVGLSTO-UHFFFAOYSA-N -1 1 366.830 2.870 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@@H]2C(=O)OC(C)(C)C)c1[O-] ZINC000852239912 749811618 /nfs/dbraw/zinc/81/16/18/749811618.db2.gz VMFPIZJXNPKUBD-OAHLLOKOSA-N -1 1 369.845 2.791 20 10 FFCDMM Cc1nc(C(C)C)[n-]c(=O)c1C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000843812737 977304093 /nfs/dbraw/zinc/30/40/93/977304093.db2.gz ZJPWYAPGNWFSFD-UHFFFAOYSA-N -1 1 356.426 2.719 20 10 FFCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000151316181 984252735 /nfs/dbraw/zinc/25/27/35/984252735.db2.gz JUNLVJFNOUDIGZ-OAQYLSRUSA-N -1 1 353.418 2.941 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000151316181 984252740 /nfs/dbraw/zinc/25/27/40/984252740.db2.gz JUNLVJFNOUDIGZ-OAQYLSRUSA-N -1 1 353.418 2.941 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000151316181 984252746 /nfs/dbraw/zinc/25/27/46/984252746.db2.gz JUNLVJFNOUDIGZ-OAQYLSRUSA-N -1 1 353.418 2.941 20 10 FFCDMM CCOc1ccc(CN2CCN(c3ccc(C(=O)[O-])s3)CC2)c(O)c1 ZINC001597102269 986727204 /nfs/dbraw/zinc/72/72/04/986727204.db2.gz RDAKBZMYMMULHT-UHFFFAOYSA-N -1 1 362.451 2.873 20 10 FFCDMM O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)c1ccc([O-])c(O)c1 ZINC000916591212 989831327 /nfs/dbraw/zinc/83/13/27/989831327.db2.gz BHGIRMXAJVPOKQ-MRXNPFEDSA-N -1 1 372.373 2.695 20 10 FFCDMM C[S@](=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001599778719 992337897 /nfs/dbraw/zinc/33/78/97/992337897.db2.gz QIMBXBJFIUBXTH-DEOSSOPVSA-N -1 1 367.854 2.870 20 10 FFCDMM C[S@](=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC001599778719 992337907 /nfs/dbraw/zinc/33/79/07/992337907.db2.gz QIMBXBJFIUBXTH-DEOSSOPVSA-N -1 1 367.854 2.870 20 10 FFCDMM COc1cc(C[N@H+]2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(O)c(C(C)(C)C)c1 ZINC001599407499 997351383 /nfs/dbraw/zinc/35/13/83/997351383.db2.gz MIFCBZLGYMAUQO-LJQANCHMSA-N -1 1 362.426 2.504 20 10 FFCDMM CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C(=O)[O-])C1 ZINC001599109465 997541166 /nfs/dbraw/zinc/54/11/66/997541166.db2.gz QNTUWEASVPVSSQ-PSOPSSQASA-N -1 1 372.259 2.903 20 10 FFCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc2ncccc2c1 ZINC000741650311 999736160 /nfs/dbraw/zinc/73/61/60/999736160.db2.gz XTJGQMSZRUOXNO-UHFFFAOYSA-N -1 1 369.446 2.872 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)NC(C)(C)C3CC3)cc12 ZINC001184362272 1002567296 /nfs/dbraw/zinc/56/72/96/1002567296.db2.gz OJYDFQNTUDMUOJ-UHFFFAOYSA-N -1 1 358.438 2.544 20 10 FFCDMM CCOC(=O)c1c[n-]c(NC(=O)c2cc(-n3c(C)ccc3C)ccc2O)n1 ZINC001186828420 1003444985 /nfs/dbraw/zinc/44/49/85/1003444985.db2.gz BRVQXMBJZFTDMJ-UHFFFAOYSA-N -1 1 368.393 2.952 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@H](N2CCCC2)C(F)(F)C1 ZINC001193232479 1004411159 /nfs/dbraw/zinc/41/11/59/1004411159.db2.gz LDGUCBLNCHHCHH-LBPRGKRZSA-N -1 1 360.788 2.697 20 10 FFCDMM O=C(Nc1c(F)cccc1OC1COC1)c1ccc(O)c([O-])c1Cl ZINC001193229092 1004429842 /nfs/dbraw/zinc/42/98/42/1004429842.db2.gz DAUUVTDLWVKVSO-UHFFFAOYSA-N -1 1 353.733 2.920 20 10 FFCDMM COC(=O)CCCS(=O)(=O)[N-]c1ccccc1C(=O)c1ccccc1 ZINC001201914590 1005287865 /nfs/dbraw/zinc/28/78/65/1005287865.db2.gz SLFWWYZHKBXQTC-UHFFFAOYSA-N -1 1 361.419 2.613 20 10 FFCDMM O=C(CSc1ccc2ccccc2n1)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180038069 1009540937 /nfs/dbraw/zinc/54/09/37/1009540937.db2.gz KUYDGGABEPYINC-UHFFFAOYSA-N -1 1 368.414 2.737 20 10 FFCDMM O=C(Cc1cccc(F)c1C(F)(F)F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001181677988 1010207806 /nfs/dbraw/zinc/20/78/06/1010207806.db2.gz VBRXTEDTPXUMKP-UHFFFAOYSA-N -1 1 371.286 2.797 20 10 FFCDMM CCC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000159929834 1022844320 /nfs/dbraw/zinc/84/43/20/1022844320.db2.gz LRYNJXGGRSGUCT-UHFFFAOYSA-N -1 1 374.462 2.917 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnn1C[C@@H]1CCOC1 ZINC001119884427 1023144950 /nfs/dbraw/zinc/14/49/50/1023144950.db2.gz AKCSYXJEQXDCEE-NSHDSACASA-N -1 1 350.806 2.600 20 10 FFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000078804020 1023953328 /nfs/dbraw/zinc/95/33/28/1023953328.db2.gz ABAZRLJFGBTLIZ-UHFFFAOYSA-N -1 1 356.470 2.714 20 10 FFCDMM O=C(Nc1cc(-c2ccccn2)no1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155221451 1028630138 /nfs/dbraw/zinc/63/01/38/1028630138.db2.gz CVGYXIGYGFVZKS-UHFFFAOYSA-N -1 1 365.301 2.507 20 10 FFCDMM C[C@H]1CCN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)CCC1(F)F ZINC001155224740 1028633963 /nfs/dbraw/zinc/63/39/63/1028633963.db2.gz SZZQFRZIFCHFLH-VIFPVBQESA-N -1 1 353.321 2.712 20 10 FFCDMM O=C([O-])[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2c([O-])cccc2Cl)C1=O ZINC000840998158 1029967801 /nfs/dbraw/zinc/96/78/01/1029967801.db2.gz OHALYZIFROCJRF-WBVHZDCISA-N -1 1 374.824 2.562 20 10 FFCDMM CC(C)COc1cccc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784300813 1030560345 /nfs/dbraw/zinc/56/03/45/1030560345.db2.gz SPKYKJQYBXVHPZ-UHFFFAOYSA-N -1 1 374.389 2.938 20 10 FFCDMM O=C(COC(=O)C(F)(F)c1ccc([N+](=O)[O-])cc1)c1ccc([O-])c(O)c1 ZINC000784581859 1030697492 /nfs/dbraw/zinc/69/74/92/1030697492.db2.gz JRWAOSPRJKXLRM-UHFFFAOYSA-N -1 1 367.260 2.524 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN(C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001139132258 1034960161 /nfs/dbraw/zinc/96/01/61/1034960161.db2.gz VCJCTDFNSBRREJ-UHFFFAOYSA-N -1 1 374.437 2.858 20 10 FFCDMM CC(C)(C)NC(=O)CO[C@@H]1CCCN(Cc2c(F)ccc(F)c2[O-])C1 ZINC001139686300 1035198066 /nfs/dbraw/zinc/19/80/66/1035198066.db2.gz SVKZLCGUMKCZCF-GFCCVEGCSA-N -1 1 356.413 2.566 20 10 FFCDMM NC(=O)c1ccc(OC2CCN(Cc3c([O-])cc(F)cc3F)CC2)cc1 ZINC001140584305 1035668649 /nfs/dbraw/zinc/66/86/49/1035668649.db2.gz MQNOGRYOAFBCSW-UHFFFAOYSA-N -1 1 362.376 2.813 20 10 FFCDMM Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@@H](C)C[N+](C)(C)C)c1C2=O ZINC001227994588 1035859266 /nfs/dbraw/zinc/85/92/66/1035859266.db2.gz NOMIMJYVUHTVAG-LBPRGKRZSA-O -1 1 370.425 2.655 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](OC(C)C)C2)c1 ZINC001233308965 1036515408 /nfs/dbraw/zinc/51/54/08/1036515408.db2.gz NIVYXOABAZLERE-CYBMUJFWSA-N -1 1 372.259 2.941 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1Cc2cncn2C[C@H](COCC2CC2)C1 ZINC001233333246 1036539004 /nfs/dbraw/zinc/53/90/04/1036539004.db2.gz OTUDBDYTGFLMQK-CQSZACIVSA-N -1 1 363.408 2.926 20 10 FFCDMM C[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1cnccn1 ZINC001229198469 1036548628 /nfs/dbraw/zinc/54/86/28/1036548628.db2.gz MSMRBHRWAYIVLP-SNVBAGLBSA-N -1 1 362.341 2.803 20 10 FFCDMM CCn1nnc2c1[C@H](COC)CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416492 1036611753 /nfs/dbraw/zinc/61/17/53/1036611753.db2.gz KEEQMWDSJLEZKN-LBPRGKRZSA-N -1 1 370.375 2.768 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C ZINC001234473026 1037050202 /nfs/dbraw/zinc/05/02/02/1037050202.db2.gz AEBCXAFDYMEIIF-QLJPJBMISA-N -1 1 351.399 2.935 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001234474586 1037054873 /nfs/dbraw/zinc/05/48/73/1037054873.db2.gz UJORCOOQOQUIJX-VFNWGFHPSA-N -1 1 371.433 2.969 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](Oc2cnccn2)C1 ZINC001235074460 1037342621 /nfs/dbraw/zinc/34/26/21/1037342621.db2.gz HXCNUBXGZHKEEB-LBPRGKRZSA-N -1 1 368.206 2.737 20 10 FFCDMM O=C([O-])c1ccc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)c(O)c1 ZINC001231449099 1037588898 /nfs/dbraw/zinc/58/88/98/1037588898.db2.gz DVXQXQCPOWMLEA-QZTJIDSGSA-N -1 1 366.417 2.860 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CCN(c3nc4ccccc4o3)CC2)c1 ZINC001231562917 1037686544 /nfs/dbraw/zinc/68/65/44/1037686544.db2.gz BGQMGFYBCBHZPQ-UHFFFAOYSA-N -1 1 353.378 2.554 20 10 FFCDMM CO[C@@H](CN1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1)c1ccccc1 ZINC001231566335 1037692565 /nfs/dbraw/zinc/69/25/65/1037692565.db2.gz YKYFJPJFYBEJCW-FQEVSTJZSA-N -1 1 370.449 2.596 20 10 FFCDMM CC[C@H](C)N1C(=O)COCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001277992430 1038168611 /nfs/dbraw/zinc/16/86/11/1038168611.db2.gz GVPAQLYRJCRFPP-NSHDSACASA-N -1 1 373.280 2.911 20 10 FFCDMM CC[C@H](C)N1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)OCC1=O ZINC001277992748 1038170242 /nfs/dbraw/zinc/17/02/42/1038170242.db2.gz MRFXKTYOKBIQNU-NSHDSACASA-N -1 1 373.280 2.911 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(N3CCC(F)(F)C3)C2)c1 ZINC001236665361 1038181223 /nfs/dbraw/zinc/18/12/23/1038181223.db2.gz IXYKPOKKUNMVAK-UHFFFAOYSA-N -1 1 361.230 2.988 20 10 FFCDMM CCOC[C@H]1CN(Cc2c([O-])ccc(F)c2Cl)Cc2nnn(CC)c21 ZINC001237122828 1038450313 /nfs/dbraw/zinc/45/03/13/1038450313.db2.gz XPVPZGQZHITZHW-LLVKDONJSA-N -1 1 368.840 2.932 20 10 FFCDMM CCN(CCN1CCCC1)S(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251408979 1039114795 /nfs/dbraw/zinc/11/47/95/1039114795.db2.gz GFCMCMGCJQIWEE-UHFFFAOYSA-N -1 1 367.298 2.805 20 10 FFCDMM CC(=O)c1ccc([N-]S(=O)(=O)c2cccc3nsnc32)c(F)c1 ZINC001260387972 1040570956 /nfs/dbraw/zinc/57/09/56/1040570956.db2.gz IZNRSQJNTXGOKT-UHFFFAOYSA-N -1 1 351.384 2.834 20 10 FFCDMM O=S(=O)([N-]c1c(Cl)cccc1CO)c1ccc(Cl)c2nonc21 ZINC001261072933 1040978903 /nfs/dbraw/zinc/97/89/03/1040978903.db2.gz LANUYQLFTQDSHV-UHFFFAOYSA-N -1 1 374.205 2.823 20 10 FFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3ccc4nncn4c3)c([O-])cc21 ZINC001250008390 1041097457 /nfs/dbraw/zinc/09/74/57/1041097457.db2.gz NYDHRASGNBSURQ-UHFFFAOYSA-N -1 1 356.341 2.954 20 10 FFCDMM O=C(Nc1cccnc1)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001279487696 1043172124 /nfs/dbraw/zinc/17/21/24/1043172124.db2.gz CTOVYOYIXRRQRX-BETUJISGSA-N -1 1 360.364 2.556 20 10 FFCDMM CC1=CCC=C[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001279491106 1043177518 /nfs/dbraw/zinc/17/75/18/1043177518.db2.gz VEZWWCJHMDVQPD-QLFBSQMISA-N -1 1 360.404 2.978 20 10 FFCDMM COc1ccnc(O[C@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC001237624240 1043279877 /nfs/dbraw/zinc/27/98/77/1043279877.db2.gz QQSAHDGRDAYCPA-LBPRGKRZSA-N -1 1 353.781 2.637 20 10 FFCDMM O=C(c1ccc(O)cc1)N1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237941461 1043446354 /nfs/dbraw/zinc/44/63/54/1043446354.db2.gz WKOQPUFTEVYWKF-UHFFFAOYSA-N -1 1 364.804 2.848 20 10 FFCDMM O=S(=O)(C[C@H]1CC[C@@H](C(F)(F)F)O1)NCc1cccc(Cl)c1[O-] ZINC001309940712 1043600048 /nfs/dbraw/zinc/60/00/48/1043600048.db2.gz LTFNXQGDKDJQHT-KOLCDFICSA-N -1 1 373.780 2.575 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cnn(C[C@@H]2CCCO2)c1 ZINC001333425778 1048898772 /nfs/dbraw/zinc/89/87/72/1048898772.db2.gz ZFOLNWHFIXMSOG-ZDUSSCGKSA-N -1 1 350.806 2.743 20 10 FFCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1cc([N+](=O)[O-])c[n-]c1=O ZINC000742831036 1049979903 /nfs/dbraw/zinc/97/99/03/1049979903.db2.gz PAXNNNVKXPOERS-UHFFFAOYSA-N -1 1 356.382 2.616 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2cncc3ccccc32)CC1 ZINC001306829188 1052196339 /nfs/dbraw/zinc/19/63/39/1052196339.db2.gz OBNSBTBWJZHMNX-UHFFFAOYSA-N -1 1 367.380 2.748 20 10 FFCDMM COC(=O)c1cc(C)c(C(=O)NCc2cccc(Br)c2[O-])o1 ZINC001448964114 1058845747 /nfs/dbraw/zinc/84/57/47/1058845747.db2.gz PVROZOFFXGZKBG-UHFFFAOYSA-N -1 1 368.183 2.773 20 10 FFCDMM CN1C(=O)COc2cccc(NC(=O)NCc3cccc(Cl)c3[O-])c21 ZINC001477031567 1061551955 /nfs/dbraw/zinc/55/19/55/1061551955.db2.gz UXEHCCYZKHPNSE-UHFFFAOYSA-N -1 1 361.785 2.723 20 10 FFCDMM O=C(NCCCNC(=O)c1ccccc1)NCc1cccc(Cl)c1[O-] ZINC001478435962 1062015048 /nfs/dbraw/zinc/01/50/48/1062015048.db2.gz VUDBMKNSBDQHOM-UHFFFAOYSA-N -1 1 361.829 2.665 20 10 FFCDMM CS(=O)(=O)Cc1ccc(C(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001472316610 1065012496 /nfs/dbraw/zinc/01/24/96/1065012496.db2.gz ZEVFRKQWYOLRBF-UHFFFAOYSA-N -1 1 353.827 2.520 20 10 FFCDMM CC(C)(C)OC(=O)N1CC2(C[C@H]2C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001558757499 1076070438 /nfs/dbraw/zinc/07/04/38/1076070438.db2.gz HHUGQIQZFKXXIZ-LBPRGKRZSA-N -1 1 366.845 2.919 20 10 FFCDMM COc1cc(NC(=O)CN(C)Cc2cc(F)c(F)cc2[O-])cc(OC)c1 ZINC001560649971 1076288274 /nfs/dbraw/zinc/28/82/74/1076288274.db2.gz BLVAALVGZJVPOQ-UHFFFAOYSA-N -1 1 366.364 2.758 20 10 FFCDMM O=S(=O)(C[C@@H]1CCCC2(CCC2)O1)NCc1cccc(Cl)c1[O-] ZINC001562008284 1076464738 /nfs/dbraw/zinc/46/47/38/1076464738.db2.gz NXNAGZKOVSTRRY-ZDUSSCGKSA-N -1 1 359.875 2.957 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1ccnc2ccnn21 ZINC001563376945 1076547596 /nfs/dbraw/zinc/54/75/96/1076547596.db2.gz DIEAXRNWSDJDPM-UHFFFAOYSA-N -1 1 362.187 2.519 20 10 FFCDMM CNc1cc(CNC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC001565484945 1076734971 /nfs/dbraw/zinc/73/49/71/1076734971.db2.gz LGBJKDFLYLYRHB-UHFFFAOYSA-N -1 1 365.231 2.591 20 10 FFCDMM COc1cc2[n-]cc(C(=O)N[C@H](C)c3ccccc3O)c(=O)c2c(OC)c1 ZINC001587446865 1079794022 /nfs/dbraw/zinc/79/40/22/1079794022.db2.gz ADQPEGBPDYJBGX-LLVKDONJSA-N -1 1 368.389 2.742 20 10 FFCDMM O=C([O-])[C@@H](Cc1ccccc1)[NH2+]Cc1cc(Br)ccc1[O-] ZINC001601660124 1126224485 /nfs/dbraw/zinc/22/44/85/1126224485.db2.gz OJQAQLNHBWOJNT-CQSZACIVSA-N -1 1 350.212 2.940 20 10 FFCDMM CC(C)OC(=O)[C@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277693102 510969593 /nfs/dbraw/zinc/96/95/93/510969593.db2.gz HBCDNXTZOBRNIZ-SNVBAGLBSA-N -1 1 373.247 2.542 20 10 FFCDMM C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294871691 511204961 /nfs/dbraw/zinc/20/49/61/511204961.db2.gz DWNAPSAQUFHFSV-MNOVXSKESA-N -1 1 368.405 2.612 20 10 FFCDMM Cc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])c(O[C@H]2CCOC2)c1 ZINC000295196545 511317894 /nfs/dbraw/zinc/31/78/94/511317894.db2.gz VNZRIQOZZKHUSH-ZDUSSCGKSA-N -1 1 361.369 2.643 20 10 FFCDMM COCC1(CNC(=O)NCc2cccc(Br)c2[O-])CCC1 ZINC000283443823 511367709 /nfs/dbraw/zinc/36/77/09/511367709.db2.gz ICZIBUZPYMTYKL-UHFFFAOYSA-N -1 1 357.248 2.771 20 10 FFCDMM Cc1cc(Br)cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)[S@@]3=O)c1O ZINC000529679828 517280725 /nfs/dbraw/zinc/28/07/25/517280725.db2.gz QAZQVVDJNDEVEW-LAPQFRIASA-N -1 1 358.301 2.949 20 10 FFCDMM Cc1cc(N(C)C)ccc1CNc1c2ccccc2nnc1-c1nnn[n-]1 ZINC000737270663 598970096 /nfs/dbraw/zinc/97/00/96/598970096.db2.gz OFNWSDYPZUAZET-UHFFFAOYSA-N -1 1 360.425 2.796 20 10 FFCDMM Cc1cc(N(C)C)ccc1CNc1c2ccccc2nnc1-c1nn[n-]n1 ZINC000737270663 598970098 /nfs/dbraw/zinc/97/00/98/598970098.db2.gz OFNWSDYPZUAZET-UHFFFAOYSA-N -1 1 360.425 2.796 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@@H](CNC(=O)[O-])C[C@H]2C)c1 ZINC000833897369 605913043 /nfs/dbraw/zinc/91/30/43/605913043.db2.gz JBUSVNVOCBQEQV-GHMZBOCLSA-N -1 1 357.248 2.941 20 10 FFCDMM COC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)c1 ZINC000111995520 728540406 /nfs/dbraw/zinc/54/04/06/728540406.db2.gz FICAINOWNVFTIM-UHFFFAOYSA-N -1 1 360.435 2.874 20 10 FFCDMM CCO[C@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000867831317 731231642 /nfs/dbraw/zinc/23/16/42/731231642.db2.gz UTDFYTXNCFWGIM-RISCZKNCSA-N -1 1 372.259 2.603 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H]([C@H]3CCCO3)C2)c1 ZINC000781910349 738671500 /nfs/dbraw/zinc/67/15/00/738671500.db2.gz UPZNCTKCGAIAEC-CABCVRRESA-N -1 1 356.260 2.843 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000890757726 734336348 /nfs/dbraw/zinc/33/63/48/734336348.db2.gz JMQPFMQZRNNWPE-AWEZNQCLSA-N -1 1 365.861 2.590 20 10 FFCDMM O=C(COC(=O)[C@@H]1SCCc2sccc21)c1ccc([O-])c(O)c1 ZINC000783926100 738849713 /nfs/dbraw/zinc/84/97/13/738849713.db2.gz XIRYFFQNFJBNPA-OAHLLOKOSA-N -1 1 350.417 2.916 20 10 FFCDMM O=S(=O)(CCc1ccc2c(c1)CCO2)NCc1cccc(Cl)c1[O-] ZINC000908327333 736758303 /nfs/dbraw/zinc/75/83/03/736758303.db2.gz HOPDLJMOLODGSR-UHFFFAOYSA-N -1 1 367.854 2.643 20 10 FFCDMM Cn1cnnc1-c1ccnc(NCc2cccc(Br)c2[O-])c1 ZINC000762626620 736846947 /nfs/dbraw/zinc/84/69/47/736846947.db2.gz XNGRVNNFDDTIOH-UHFFFAOYSA-N -1 1 360.215 2.957 20 10 FFCDMM CO[C@H](CNC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000764782383 737049017 /nfs/dbraw/zinc/04/90/17/737049017.db2.gz YIGRQUZWFMAUKW-SECBINFHSA-N -1 1 371.153 2.531 20 10 FFCDMM CCc1cc(CNC(=O)NCc2cccc(Br)c2[O-])on1 ZINC000764783347 737049449 /nfs/dbraw/zinc/04/94/49/737049449.db2.gz KTSPBVSLDYZNQP-UHFFFAOYSA-N -1 1 354.204 2.705 20 10 FFCDMM O=C(NCc1ccc(F)cn1)NCc1cccc(Br)c1[O-] ZINC000765532789 737130601 /nfs/dbraw/zinc/13/06/01/737130601.db2.gz DKCYFTJSANVJMU-UHFFFAOYSA-N -1 1 354.179 2.688 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(-n2ccnc2)c1 ZINC000765726022 737149491 /nfs/dbraw/zinc/14/94/91/737149491.db2.gz CJWGAEZIWOIINR-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM COCc1nc(C)c(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765729539 737150255 /nfs/dbraw/zinc/15/02/55/737150255.db2.gz ODTXKUVSYNGZJD-UHFFFAOYSA-N -1 1 371.256 2.996 20 10 FFCDMM CC(=O)c1cc(C(=O)NCc2cccc(Br)c2[O-])n(C)c1 ZINC000765746378 737152564 /nfs/dbraw/zinc/15/25/64/737152564.db2.gz GCPGWQVQLYORRV-UHFFFAOYSA-N -1 1 351.200 2.626 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1n[nH]c2c1CCCC2 ZINC000765756875 737154676 /nfs/dbraw/zinc/15/46/76/737154676.db2.gz NRHIOEUIHBPSSA-UHFFFAOYSA-N -1 1 350.216 2.687 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000769381299 737522672 /nfs/dbraw/zinc/52/26/72/737522672.db2.gz NVIJECYTWBELHR-JOYOIKCWSA-N -1 1 354.712 2.841 20 10 FFCDMM Cc1ccc(Oc2ccccc2NC=C2C(=O)[N-]C(=S)NC2=O)cc1 ZINC000920979054 737937544 /nfs/dbraw/zinc/93/75/44/737937544.db2.gz RXKVOBUZCPDYDP-UHFFFAOYSA-N -1 1 353.403 2.614 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)c(C)c(C)c1O ZINC000775291173 738079700 /nfs/dbraw/zinc/07/97/00/738079700.db2.gz CMQUZYINCXKWJP-UHFFFAOYSA-N -1 1 369.464 2.522 20 10 FFCDMM COc1cc(S(=O)(=O)Nc2ccc(O)c(C)c2)c(Cl)cc1C(=O)[O-] ZINC000776748046 738228919 /nfs/dbraw/zinc/22/89/19/738228919.db2.gz TWKVNVVMXMZWDK-UHFFFAOYSA-N -1 1 371.798 2.862 20 10 FFCDMM O=C(NCCOc1cccc(Br)c1)c1c(F)ccc(O)c1[O-] ZINC000789958143 739399600 /nfs/dbraw/zinc/39/96/00/739399600.db2.gz QVINJCDVGCKZKC-UHFFFAOYSA-N -1 1 370.174 2.808 20 10 FFCDMM Cc1cc(S(=O)(=O)Nc2ccc(O)cc2OC(C)C)ccc1C(=O)[O-] ZINC000795352204 740008630 /nfs/dbraw/zinc/00/86/30/740008630.db2.gz GVMALTYXIVMFDX-UHFFFAOYSA-N -1 1 365.407 2.987 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1ccccn1 ZINC000811460037 741525766 /nfs/dbraw/zinc/52/57/66/741525766.db2.gz VSWLHAZLHAKZRM-UHFFFAOYSA-N -1 1 373.210 2.870 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H](C(=O)C3CC3)C2)c1 ZINC000811502141 741530612 /nfs/dbraw/zinc/53/06/12/741530612.db2.gz LDDWDJGDRDLFSH-CQSZACIVSA-N -1 1 354.244 2.643 20 10 FFCDMM COC1CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000838758058 746707530 /nfs/dbraw/zinc/70/75/30/746707530.db2.gz KDLPPSNSICGCLE-UHFFFAOYSA-N -1 1 357.248 2.912 20 10 FFCDMM C[C@@H](CC(=O)NCc1cccc(Br)c1[O-])c1cnn(C)c1 ZINC000839738690 746907679 /nfs/dbraw/zinc/90/76/79/746907679.db2.gz CMOQQFOXPILGNN-JTQLQIEISA-N -1 1 352.232 2.698 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC(c3ccsc3)CC1)cc2=O ZINC000846252632 748441962 /nfs/dbraw/zinc/44/19/62/748441962.db2.gz SXNYQJFBLQYKSG-UHFFFAOYSA-N -1 1 358.423 2.574 20 10 FFCDMM COC1CC(CCNC(=O)NCc2cccc(Br)c2[O-])C1 ZINC000852415027 749855223 /nfs/dbraw/zinc/85/52/23/749855223.db2.gz CKUBRSQDUQTKQQ-UHFFFAOYSA-N -1 1 357.248 2.769 20 10 FFCDMM C[C@H]1CCC[C@@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000852580094 749896209 /nfs/dbraw/zinc/89/62/09/749896209.db2.gz LWIFTLDSGLTSME-JQWIXIFHSA-N -1 1 357.248 2.912 20 10 FFCDMM CN1CCN(c2ccc(CNc3ncc(Cl)cc3C(=O)[O-])cc2)CC1 ZINC001167431029 963081623 /nfs/dbraw/zinc/08/16/23/963081623.db2.gz CASFSYSSVMYBMH-UHFFFAOYSA-N -1 1 360.845 2.797 20 10 FFCDMM O=C1N(CC2CCCC2)C[C@@]2(F)CN(Cc3cccc(F)c3[O-])C[C@@]12F ZINC001276087028 1013427083 /nfs/dbraw/zinc/42/70/83/1013427083.db2.gz VYGZDGAVJHMWJH-RBUKOAKNSA-N -1 1 368.399 2.796 20 10 FFCDMM O=C(COC(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccc([O-])c(O)c1 ZINC000783012817 970388299 /nfs/dbraw/zinc/38/82/99/970388299.db2.gz XLXYBXNPVDLHHG-UHFFFAOYSA-N -1 1 365.341 2.905 20 10 FFCDMM CO[C@@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3[O-])Cc3cccnc3N2C1 ZINC000877690779 1014684218 /nfs/dbraw/zinc/68/42/18/1014684218.db2.gz HJULJWJMMHBNFN-LSDHHAIUSA-N -1 1 361.392 2.675 20 10 FFCDMM COc1ccccc1[C@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000877756218 1014714652 /nfs/dbraw/zinc/71/46/52/1014714652.db2.gz SSEGFPYXZMSJRT-QGZVFWFLSA-N -1 1 374.393 2.891 20 10 FFCDMM Oc1cc(F)c(F)cc1C[N@H+]1C[C@@H]2COC[C@]2(COc2ccccn2)C1 ZINC001142520259 982526142 /nfs/dbraw/zinc/52/61/42/982526142.db2.gz DSAKIUDZXBMXKF-KUHUBIRLSA-N -1 1 362.376 2.593 20 10 FFCDMM CN1CCN(c2ccc(C=C(C(=O)[O-])c3ccc4cc[nH]c4n3)cc2)CC1 ZINC001598622610 994028512 /nfs/dbraw/zinc/02/85/12/994028512.db2.gz SZUGGTIPUREKER-JXAWBTAJSA-N -1 1 362.433 2.940 20 10 FFCDMM Cc1cc(=O)[nH]c2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)ccc12 ZINC000808658639 994205039 /nfs/dbraw/zinc/20/50/39/994205039.db2.gz HLFAKGZTHAKNDS-UHFFFAOYSA-N -1 1 353.330 2.700 20 10 FFCDMM C[C@@H](NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1)c1cc(C(=O)[O-])co1 ZINC001593298501 994715451 /nfs/dbraw/zinc/71/54/51/994715451.db2.gz JXFMMHGAEWLGHN-UKRRQHHQSA-N -1 1 371.437 2.530 20 10 FFCDMM CO[C@H]1CC[N@@H+](Cc2cc(C)cc(Br)c2[O-])[C@H](C(=O)[O-])C1 ZINC001599125160 997829918 /nfs/dbraw/zinc/82/99/18/997829918.db2.gz ZDILUHUIIQFQSW-AAEUAGOBSA-N -1 1 358.232 2.527 20 10 FFCDMM COc1c([O-])c(C[N@H+]2C[C@@H](C(=O)[O-])[C@@H](c3ccccc3)C2)ccc1[N+](=O)[O-] ZINC001599344909 997985615 /nfs/dbraw/zinc/98/56/15/997985615.db2.gz BTEJHYMEJMKHOQ-HUUCEWRRSA-N -1 1 372.377 2.609 20 10 FFCDMM O=C(COC(=O)[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccc([O-])c(O)c1 ZINC000803807875 1016185126 /nfs/dbraw/zinc/18/51/26/1016185126.db2.gz LXQPANJJFPCWII-HNNXBMFYSA-N -1 1 370.279 2.576 20 10 FFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H](c2ccco2)C1 ZINC000846255906 1000246176 /nfs/dbraw/zinc/24/61/76/1000246176.db2.gz FYERVEHBTUZMRN-RISCZKNCSA-N -1 1 356.382 2.699 20 10 FFCDMM CCc1ccccc1Cc1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771420674 1001094392 /nfs/dbraw/zinc/09/43/92/1001094392.db2.gz SMAQZTUDYWUVRC-UHFFFAOYSA-N -1 1 373.434 2.967 20 10 FFCDMM CC(C)(C)OC(=O)c1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001186879790 1003454070 /nfs/dbraw/zinc/45/40/70/1003454070.db2.gz XKQSWVSHXDAPTE-UHFFFAOYSA-N -1 1 371.389 2.666 20 10 FFCDMM COc1ccc(C(F)(F)F)c(C(=O)NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001191826623 1003971221 /nfs/dbraw/zinc/97/12/21/1003971221.db2.gz CHRIJNMMAZVOBJ-UHFFFAOYSA-N -1 1 369.295 2.738 20 10 FFCDMM Cc1nnc(-c2cccc(S(=O)(=O)[N-]c3cc(F)c(O)c(F)c3)c2)o1 ZINC001192266321 1004111220 /nfs/dbraw/zinc/11/12/20/1004111220.db2.gz RCSBAURCQURRGA-UHFFFAOYSA-N -1 1 367.333 2.830 20 10 FFCDMM O=C(Nc1nc(Cl)c(Cl)nc1CO)c1ccc(O)c([O-])c1Cl ZINC001193220207 1004407264 /nfs/dbraw/zinc/40/72/64/1004407264.db2.gz RMAAUTQLXZPXSQ-UHFFFAOYSA-N -1 1 364.572 2.593 20 10 FFCDMM COc1ccnc(C(=O)n2c(=N)ccc(/N=N/c3ccccc3)c2N)c1[O-] ZINC001193524879 1004511124 /nfs/dbraw/zinc/51/11/24/1004511124.db2.gz OIEWGLNREHVKOA-NASUMDORSA-N -1 1 364.365 2.763 20 10 FFCDMM CCCc1cc(=O)[n-]c(SCC(=O)N(C)Cc2ccc(N(C)C)cc2)n1 ZINC000008204597 1005943421 /nfs/dbraw/zinc/94/34/21/1005943421.db2.gz HSEZSZFXYYDBPZ-UHFFFAOYSA-N -1 1 374.510 2.539 20 10 FFCDMM Cc1ncc(Br)c(C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001180409927 1009685009 /nfs/dbraw/zinc/68/50/09/1009685009.db2.gz JPCCQEHKGCORNK-UHFFFAOYSA-N -1 1 356.607 2.837 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(Br)[nH]c1=O ZINC001180421090 1009689330 /nfs/dbraw/zinc/68/93/30/1009689330.db2.gz VQHIDLZXWUPGKK-UHFFFAOYSA-N -1 1 357.591 2.839 20 10 FFCDMM COc1cnc([C@@H]2CCCN2Cc2cc(F)cc(C(C)=O)c2O)[n-]c1=O ZINC000934274021 1021181726 /nfs/dbraw/zinc/18/17/26/1021181726.db2.gz OARUKSZXDFRZHR-AWEZNQCLSA-N -1 1 361.373 2.575 20 10 FFCDMM C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000829083657 1032996535 /nfs/dbraw/zinc/99/65/35/1032996535.db2.gz VYWNZEWZZLPOPQ-PWSUYJOCSA-N -1 1 368.405 2.612 20 10 FFCDMM O=C(CNC(F)(F)c1c2c(nnc1Cl)CCC2)c1ccc([O-])c(O)c1 ZINC001159280601 1027335777 /nfs/dbraw/zinc/33/57/77/1027335777.db2.gz ZQUCMXFJJGMVJI-UHFFFAOYSA-N -1 1 369.755 2.552 20 10 FFCDMM Cc1nc2c(cccc2NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)o1 ZINC001155228177 1028635132 /nfs/dbraw/zinc/63/51/32/1028635132.db2.gz MCYAISMGJZHAII-UHFFFAOYSA-N -1 1 352.302 2.906 20 10 FFCDMM COc1cc2[nH]ccc2c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c1 ZINC001155233102 1028640096 /nfs/dbraw/zinc/64/00/96/1028640096.db2.gz ZYSRIVSZDUNKFW-UHFFFAOYSA-N -1 1 366.329 2.946 20 10 FFCDMM O=C(N[C@@H](c1ccnc(F)c1)C1CC1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234929 1028640261 /nfs/dbraw/zinc/64/02/61/1028640261.db2.gz CTFCRIOMVQJECO-QGZVFWFLSA-N -1 1 370.336 2.619 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ccc(O)cc32)c1 ZINC000782748129 1029806877 /nfs/dbraw/zinc/80/68/77/1029806877.db2.gz DHKQSOVNLAUECU-UHFFFAOYSA-N -1 1 372.402 2.875 20 10 FFCDMM O=C(COC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC000784021114 1030421665 /nfs/dbraw/zinc/42/16/65/1030421665.db2.gz MQTYDJUFILGZQL-INIZCTEOSA-N -1 1 373.380 2.627 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC001142508965 1030559094 /nfs/dbraw/zinc/55/90/94/1030559094.db2.gz RAQXAXRBDJUGJY-UHFFFAOYSA-N -1 1 362.376 2.717 20 10 FFCDMM CCOc1cc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1O ZINC000784469761 1030635498 /nfs/dbraw/zinc/63/54/98/1030635498.db2.gz HSHGDGNVHNSLLW-XBXARRHUSA-N -1 1 358.346 2.641 20 10 FFCDMM COc1ncc(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)cc1N ZINC001203509692 1030735695 /nfs/dbraw/zinc/73/56/95/1030735695.db2.gz QGCNBCSLZYLSBJ-UHFFFAOYSA-N -1 1 361.357 2.897 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC001138122589 1033796297 /nfs/dbraw/zinc/79/62/97/1033796297.db2.gz OSTGIFNNWCVOBD-CQSZACIVSA-N -1 1 354.422 2.647 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(C(F)F)ncn1 ZINC001139975051 1035294794 /nfs/dbraw/zinc/29/47/94/1035294794.db2.gz SHMVDBWNUVGYSM-UHFFFAOYSA-N -1 1 358.142 2.812 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2c([O-])ccc(F)c2F)CCO1 ZINC001233332037 1036537862 /nfs/dbraw/zinc/53/78/62/1036537862.db2.gz VRYUKZHKLACDPM-LBPRGKRZSA-N -1 1 372.412 2.786 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1OC[C@H]1CN(c2cccc(F)c2)C(=O)O1 ZINC001234473162 1037052002 /nfs/dbraw/zinc/05/20/02/1037052002.db2.gz CLMBQXBEZIWQHD-CYBMUJFWSA-N -1 1 361.325 2.844 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC001234473808 1037052090 /nfs/dbraw/zinc/05/20/90/1037052090.db2.gz KFHSOQRXHDCREY-NSHDSACASA-N -1 1 351.399 2.935 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CCC[C@@H](n2ccnn2)C1 ZINC001235309823 1037465746 /nfs/dbraw/zinc/46/57/46/1037465746.db2.gz XRQDUOXZYYRRBM-GFCCVEGCSA-N -1 1 355.211 2.722 20 10 FFCDMM CCC[C@H](COC)[N@@H+](CCC(=O)OCC)Cc1cc(C(=O)[O-])ccc1O ZINC001231566523 1037692468 /nfs/dbraw/zinc/69/24/68/1037692468.db2.gz NRTMGEYDXJIXRS-MRXNPFEDSA-N -1 1 367.442 2.661 20 10 FFCDMM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2c(F)ccc(F)c2[O-])[nH]1 ZINC001278688050 1039814959 /nfs/dbraw/zinc/81/49/59/1039814959.db2.gz SNMFPVNVXSPMIP-OKILXGFUSA-N -1 1 361.392 2.620 20 10 FFCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1ccc(-n2cccn2)cc1 ZINC001259369963 1039948830 /nfs/dbraw/zinc/94/88/30/1039948830.db2.gz DLQLCBMXFLUQIE-UHFFFAOYSA-N -1 1 351.334 2.657 20 10 FFCDMM COc1cccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c1F ZINC001261072785 1040977616 /nfs/dbraw/zinc/97/76/16/1040977616.db2.gz GUOFMUZNWZCFTI-UHFFFAOYSA-N -1 1 357.750 2.825 20 10 FFCDMM [O-]c1cccc(F)c1CN1CC2(CCN2Cc2nc3ccccc3[nH]2)C1 ZINC001279421833 1043093743 /nfs/dbraw/zinc/09/37/43/1043093743.db2.gz PZJGXFFHJKBIOJ-UHFFFAOYSA-N -1 1 352.413 2.868 20 10 FFCDMM CC1=CCC=C[C@@H]1C(=O)N1CCC12CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279489181 1043174820 /nfs/dbraw/zinc/17/48/20/1043174820.db2.gz LQHIQMAPSHNZID-AWEZNQCLSA-N -1 1 360.404 2.980 20 10 FFCDMM O=C(N[C@@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1)C1CCOCC1 ZINC001237623284 1043278968 /nfs/dbraw/zinc/27/89/68/1043278968.db2.gz LOKZOLAIOKOCQG-OAHLLOKOSA-N -1 1 370.852 2.692 20 10 FFCDMM CCn1nnc2c1[C@H](COC)CN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237938543 1043444780 /nfs/dbraw/zinc/44/47/80/1043444780.db2.gz KCFDFJNLYIRGLE-NSHDSACASA-N -1 1 354.813 2.542 20 10 FFCDMM CC(=O)Nc1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001309940272 1043600122 /nfs/dbraw/zinc/60/01/22/1043600122.db2.gz HEOZWLYZIPNUEK-UHFFFAOYSA-N -1 1 372.805 2.622 20 10 FFCDMM CCN(C(=O)c1n[nH]c2c1CCN(Cc1c([O-])cccc1F)C2)C(C)C ZINC001280007406 1044078052 /nfs/dbraw/zinc/07/80/52/1044078052.db2.gz CTFIOYNYTXGETO-UHFFFAOYSA-N -1 1 360.433 2.683 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cn1C ZINC001332159705 1048274612 /nfs/dbraw/zinc/27/46/12/1048274612.db2.gz DNGJTOVECKGTBG-UHFFFAOYSA-N -1 1 366.439 2.750 20 10 FFCDMM C=CC(=O)Nc1ccc([O-])c(C(=O)N2CCOc3cc(N(C)C)ccc32)c1 ZINC001293955732 1049658383 /nfs/dbraw/zinc/65/83/83/1049658383.db2.gz LDGMCKTZFQJUCL-UHFFFAOYSA-N -1 1 367.405 2.622 20 10 FFCDMM CCCn1ncc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC001336457011 1054004088 /nfs/dbraw/zinc/00/40/88/1054004088.db2.gz RZVZBBZFCYENII-UHFFFAOYSA-N -1 1 352.232 3.000 20 10 FFCDMM CCc1ccc(CN2CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC001472613992 1065111162 /nfs/dbraw/zinc/11/11/62/1065111162.db2.gz PDJRNWOVOVFSSA-UHFFFAOYSA-N -1 1 358.413 2.757 20 10 FFCDMM Cc1nc(C(C)(C)C)[n-]c(=O)c1C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000080549681 508082851 /nfs/dbraw/zinc/08/28/51/508082851.db2.gz HMWCPTMMWXRJLX-UHFFFAOYSA-N -1 1 368.481 2.906 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000081943853 508220640 /nfs/dbraw/zinc/22/06/40/508220640.db2.gz VTIASFCNDHSAKS-UHFFFAOYSA-N -1 1 362.376 2.562 20 10 FFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1c(C)[n-]c(=O)nc1SC ZINC000161835962 509157538 /nfs/dbraw/zinc/15/75/38/509157538.db2.gz JEUJFNALWUCBSJ-UHFFFAOYSA-N -1 1 360.483 2.529 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C3CCC3)cn2)c1 ZINC000294878292 511206925 /nfs/dbraw/zinc/20/69/25/511206925.db2.gz UGRZDZJAYGEMMT-UHFFFAOYSA-N -1 1 361.423 2.679 20 10 FFCDMM CCN(CC(=O)Nc1c(C)cccc1C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000294881205 511208096 /nfs/dbraw/zinc/20/80/96/511208096.db2.gz HZXPOQVPNINNKM-UHFFFAOYSA-N -1 1 360.385 2.955 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN[C@@H](c2nnc[nH]2)c2ccccc2)c1[O-] ZINC000372920521 513102507 /nfs/dbraw/zinc/10/25/07/513102507.db2.gz HCEBSBSLQVBWRY-CQSZACIVSA-N -1 1 359.773 2.951 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nnn[n-]3)s2)cc1 ZINC000821198879 606514799 /nfs/dbraw/zinc/51/47/99/606514799.db2.gz XGQXVCKWPBUKME-UHFFFAOYSA-N -1 1 356.455 2.704 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2ccc(-c3nn[n-]n3)s2)cc1 ZINC000821198879 606514800 /nfs/dbraw/zinc/51/48/00/606514800.db2.gz XGQXVCKWPBUKME-UHFFFAOYSA-N -1 1 356.455 2.704 20 10 FFCDMM CCc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1F ZINC000123730316 728662128 /nfs/dbraw/zinc/66/21/28/728662128.db2.gz KIXUSBRGCHEHIQ-UHFFFAOYSA-N -1 1 352.387 2.718 20 10 FFCDMM O=C(NCc1ccccc1O)c1ccc(I)c([O-])c1 ZINC000230903478 729551647 /nfs/dbraw/zinc/55/16/47/729551647.db2.gz KQUXOWWOCBNKRD-UHFFFAOYSA-N -1 1 369.158 2.632 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1ccc(Cl)cc1[O-] ZINC000856209924 730316036 /nfs/dbraw/zinc/31/60/36/730316036.db2.gz HVCOCKWKFQBKHY-UHFFFAOYSA-N -1 1 360.841 2.937 20 10 FFCDMM O=C(NCC[C@H]1CCCOC1)NCc1cccc(Br)c1[O-] ZINC000858667682 730431126 /nfs/dbraw/zinc/43/11/26/730431126.db2.gz WHNOQCKOGZIPHC-LLVKDONJSA-N -1 1 357.248 2.771 20 10 FFCDMM O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000872358442 731755261 /nfs/dbraw/zinc/75/52/61/731755261.db2.gz UBEWYOVPBAZGBP-NSHDSACASA-N -1 1 371.361 2.639 20 10 FFCDMM O=C(COC(=O)[C@H]1COc2ccc(Cl)cc2C1)c1ccc([O-])c(O)c1 ZINC000782199401 738697178 /nfs/dbraw/zinc/69/71/78/738697178.db2.gz NQARKRCRROSGMM-GFCCVEGCSA-N -1 1 362.765 2.728 20 10 FFCDMM O=C(COC(=O)[C@@H]1COc2ccc(Cl)cc2C1)c1ccc([O-])c(O)c1 ZINC000782199402 738697219 /nfs/dbraw/zinc/69/72/19/738697219.db2.gz NQARKRCRROSGMM-LBPRGKRZSA-N -1 1 362.765 2.728 20 10 FFCDMM CSc1nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccn21 ZINC000783179029 738787795 /nfs/dbraw/zinc/78/77/95/738787795.db2.gz RENOSYRUEIUEMN-UHFFFAOYSA-N -1 1 358.375 2.507 20 10 FFCDMM CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890757285 734336342 /nfs/dbraw/zinc/33/63/42/734336342.db2.gz BEMQKYAGDZERDP-GXTWGEPZSA-N -1 1 352.862 2.947 20 10 FFCDMM CC1(c2ncc(C(=O)NCc3cccc(Cl)c3[O-])s2)OCCO1 ZINC000890761215 734337249 /nfs/dbraw/zinc/33/72/49/734337249.db2.gz NJVZUWZLZXOVHE-UHFFFAOYSA-N -1 1 354.815 2.652 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCN(C2CCCCC2)C1=O ZINC000893723839 734742253 /nfs/dbraw/zinc/74/22/53/734742253.db2.gz GEGAUFPGJWIALQ-OAHLLOKOSA-N -1 1 365.861 2.778 20 10 FFCDMM COC[C@@]1(CO)CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC000894930716 734938808 /nfs/dbraw/zinc/93/88/08/734938808.db2.gz VOZZQXOURFDTFT-AWEZNQCLSA-N -1 1 364.667 2.639 20 10 FFCDMM Cc1nc(CNC(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000764764356 737047443 /nfs/dbraw/zinc/04/74/43/737047443.db2.gz OXTLVCLATLGOMN-UHFFFAOYSA-N -1 1 356.245 2.919 20 10 FFCDMM CO[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764788764 737050102 /nfs/dbraw/zinc/05/01/02/737050102.db2.gz BUFNQUXCCPTRFA-NEPJUHHUSA-N -1 1 357.248 2.767 20 10 FFCDMM O=C(NCc1cccc(F)n1)NCc1cccc(Br)c1[O-] ZINC000764798630 737050561 /nfs/dbraw/zinc/05/05/61/737050561.db2.gz GLRSGKMCLUFMSK-UHFFFAOYSA-N -1 1 354.179 2.688 20 10 FFCDMM Cn1cc(-c2ccc(NCc3cccc(Br)c3[O-])nn2)cn1 ZINC000764934865 737065258 /nfs/dbraw/zinc/06/52/58/737065258.db2.gz PCZBQUQAOUZCMU-UHFFFAOYSA-N -1 1 360.215 2.957 20 10 FFCDMM COc1ccc(O)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765727738 737149733 /nfs/dbraw/zinc/14/97/33/737149733.db2.gz OPQVWSPMOKWDSL-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc(-n2ccnc2)ccn1 ZINC000765746213 737152536 /nfs/dbraw/zinc/15/25/36/737152536.db2.gz DWSOZEJDXGQDDI-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncn(-c2ccccc2)n1 ZINC000765747032 737152983 /nfs/dbraw/zinc/15/29/83/737152983.db2.gz KELLKZTYYGKGFV-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C(Cc1c[nH]c2ncccc12)NCc1cccc(Br)c1[O-] ZINC000765764110 737155686 /nfs/dbraw/zinc/15/56/86/737155686.db2.gz JFYVQFOUXIQKTR-UHFFFAOYSA-N -1 1 360.211 2.890 20 10 FFCDMM CC(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000765766015 737155878 /nfs/dbraw/zinc/15/58/78/737155878.db2.gz UOHDWAUTUSYURT-UHFFFAOYSA-N -1 1 352.232 2.942 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1Cc2cc(F)ccc2O1 ZINC000765770929 737156811 /nfs/dbraw/zinc/15/68/11/737156811.db2.gz SPTPEFXTAJAIOO-AWEZNQCLSA-N -1 1 366.186 2.914 20 10 FFCDMM CCNc1nc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765944839 737175129 /nfs/dbraw/zinc/17/51/29/737175129.db2.gz RNATTYHHCCEWRX-UHFFFAOYSA-N -1 1 356.245 2.973 20 10 FFCDMM O=S(=O)(Cc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000766201425 737206446 /nfs/dbraw/zinc/20/64/46/737206446.db2.gz ULRBVGICRAYFJW-UHFFFAOYSA-N -1 1 374.231 2.913 20 10 FFCDMM COC(=O)[C@H](COC(C)C)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000766232051 737211180 /nfs/dbraw/zinc/21/11/80/737211180.db2.gz ZNIGYIRKTVZDMB-HNNXBMFYSA-N -1 1 357.834 2.647 20 10 FFCDMM CO[C@H](C(=O)NCc1cccc(Br)c1[O-])c1ccc(O)cc1 ZINC000787580283 739148205 /nfs/dbraw/zinc/14/82/05/739148205.db2.gz GVWNQPJNFXHQRZ-HNNXBMFYSA-N -1 1 366.211 2.864 20 10 FFCDMM COC(=O)c1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1 ZINC000789127653 739317834 /nfs/dbraw/zinc/31/78/34/739317834.db2.gz OLSXIZAYYHRNTQ-WEVVVXLNSA-N -1 1 358.238 2.725 20 10 FFCDMM O=C(NCCc1nc(C(F)(F)F)cs1)c1c(F)ccc(O)c1[O-] ZINC000789987059 739402936 /nfs/dbraw/zinc/40/29/36/739402936.db2.gz PWYJYQAFMWERKO-UHFFFAOYSA-N -1 1 350.293 2.685 20 10 FFCDMM O=C(N[C@H]1CCN(c2c(F)cccc2F)C1)c1c([O-])c(O)ccc1F ZINC000789989630 739403028 /nfs/dbraw/zinc/40/30/28/739403028.db2.gz KEMYILUIQSERBM-VIFPVBQESA-N -1 1 352.312 2.524 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000790409381 739449306 /nfs/dbraw/zinc/44/93/06/739449306.db2.gz PBRJUENZDIXNHD-UHFFFAOYSA-N -1 1 371.798 2.943 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C)c(C)c(C(=O)[O-])c1 ZINC000790410064 739449951 /nfs/dbraw/zinc/44/99/51/739449951.db2.gz ZPKJYIPSJCDIAD-UHFFFAOYSA-N -1 1 365.407 2.907 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)OC2 ZINC000792702150 739695458 /nfs/dbraw/zinc/69/54/58/739695458.db2.gz NTXBXJTZEJVFHA-UHFFFAOYSA-N -1 1 351.405 2.585 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000792703451 739696066 /nfs/dbraw/zinc/69/60/66/739696066.db2.gz WSJVUSPAIORHIC-UHFFFAOYSA-N -1 1 352.393 2.762 20 10 FFCDMM COc1ccc(CNC(=O)c2ccc(Br)cc2[O-])c(O)c1 ZINC000794386816 739885787 /nfs/dbraw/zinc/88/57/87/739885787.db2.gz BPVLELMJHREOIU-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM Cn1nc(C2CC2)cc1C(=O)NCc1cccc(Br)c1[O-] ZINC000935662603 739991114 /nfs/dbraw/zinc/99/11/14/739991114.db2.gz HRJXAYQVNRVHSD-UHFFFAOYSA-N -1 1 350.216 2.696 20 10 FFCDMM CCOc1cccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)c1 ZINC000799915726 740463371 /nfs/dbraw/zinc/46/33/71/740463371.db2.gz FFJSULYSAYFXEC-UHFFFAOYSA-N -1 1 362.451 2.723 20 10 FFCDMM O=C([O-])Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)cc1 ZINC000808115929 741188276 /nfs/dbraw/zinc/18/82/76/741188276.db2.gz ZSABRPYLMSBUAY-UHFFFAOYSA-N -1 1 359.762 2.613 20 10 FFCDMM O=C1CN(Cc2cccc(NCc3c([O-])ccc(Cl)c3F)c2)CCN1 ZINC000812796442 741652854 /nfs/dbraw/zinc/65/28/54/741652854.db2.gz PCOAGDSGXZNPQG-UHFFFAOYSA-N -1 1 363.820 2.729 20 10 FFCDMM CCn1ccnc1[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000836628861 746272339 /nfs/dbraw/zinc/27/23/39/746272339.db2.gz WUVGCOMYTPQFSI-JTQLQIEISA-N -1 1 367.247 2.932 20 10 FFCDMM CO[C@H]1C[C@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCC2 ZINC000838766283 746709344 /nfs/dbraw/zinc/70/93/44/746709344.db2.gz LOXKCNYYKCBMRU-STQMWFEESA-N -1 1 369.259 2.912 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1c(C)cc([N+](=O)[O-])cc1C ZINC000840915381 747223304 /nfs/dbraw/zinc/22/33/04/747223304.db2.gz PXAWOGILVAJLNA-UHFFFAOYSA-N -1 1 366.395 2.864 20 10 FFCDMM CCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1[N+](=O)[O-] ZINC000842585539 747633030 /nfs/dbraw/zinc/63/30/30/747633030.db2.gz BXBCPZPLHWWCBL-UHFFFAOYSA-N -1 1 366.395 2.810 20 10 FFCDMM CC1=CCC=C[C@H]1C(=O)N1CCC12CN(Cc1cc(F)c(F)cc1[O-])C2 ZINC001279107389 962383764 /nfs/dbraw/zinc/38/37/64/962383764.db2.gz ORXCTXQKSYLNQQ-OAHLLOKOSA-N -1 1 360.404 2.980 20 10 FFCDMM O=C(CC1CCCC1)NC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825776593 1014003190 /nfs/dbraw/zinc/00/31/90/1014003190.db2.gz JKUHBLSOFCIANQ-UHFFFAOYSA-N -1 1 364.417 2.538 20 10 FFCDMM O=C(N[C@H]1CCOC1)OC[C@@H]1CCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877519119 1014609821 /nfs/dbraw/zinc/60/98/21/1014609821.db2.gz IDZIUKMQKJLOIS-KBPBESRZSA-N -1 1 370.396 2.540 20 10 FFCDMM CCN(CC)Cc1ccc(C(=O)N(CC(=O)[O-])Cc2ccccc2O)o1 ZINC000911483494 982252891 /nfs/dbraw/zinc/25/28/91/982252891.db2.gz BETWNKCQEJHDAN-UHFFFAOYSA-N -1 1 360.410 2.554 20 10 FFCDMM CC(C)(C)OC(=O)CC[C@H]1COCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534449 982622848 /nfs/dbraw/zinc/62/28/48/982622848.db2.gz JZMKGMKIADEJPG-ZDUSSCGKSA-N -1 1 357.397 2.993 20 10 FFCDMM COc1ccc(N2CCCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000825505715 997404511 /nfs/dbraw/zinc/40/45/11/997404511.db2.gz RMTNEUICLKBMLY-UHFFFAOYSA-N -1 1 360.385 2.598 20 10 FFCDMM COCCC1(C(=O)NCC(=O)c2ccc([O-])c(O)c2)CCC(F)(F)CC1 ZINC001182451180 1001894515 /nfs/dbraw/zinc/89/45/15/1001894515.db2.gz PGOZTMOIWFUOJY-UHFFFAOYSA-N -1 1 371.380 2.629 20 10 FFCDMM CCN(CC(=O)Nc1c(F)cccc1F)C(=O)c1c(F)ccc(O)c1[O-] ZINC000789955368 1002237524 /nfs/dbraw/zinc/23/75/24/1002237524.db2.gz XMBNZRQZXVMOPU-UHFFFAOYSA-N -1 1 368.311 2.616 20 10 FFCDMM COC(=O)c1ccc2c(c1)CN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000774880881 1002950884 /nfs/dbraw/zinc/95/08/84/1002950884.db2.gz LXULHMWHOXWDGH-UHFFFAOYSA-N -1 1 358.350 2.611 20 10 FFCDMM O=C(CNc1ccc2c(c1)C1(CN2)CCOCC1)c1ccc([O-])c(O)c1 ZINC001170315073 1003104218 /nfs/dbraw/zinc/10/42/18/1003104218.db2.gz PBKMKHKJEFEDKQ-UHFFFAOYSA-N -1 1 354.406 2.866 20 10 FFCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C(C)=O)c2)cc1 ZINC001191450654 1003808326 /nfs/dbraw/zinc/80/83/26/1003808326.db2.gz AUHPVOVLADMIKY-UHFFFAOYSA-N -1 1 363.391 2.572 20 10 FFCDMM O=C(CNC(=O)c1ccc(-c2cccs2)nc1)c1ccc([O-])c(O)c1 ZINC001196791367 1003956457 /nfs/dbraw/zinc/95/64/57/1003956457.db2.gz BRIOKEAMEYWPLU-UHFFFAOYSA-N -1 1 354.387 2.834 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2ccc(Cl)cn2)CC1 ZINC001193233131 1004412579 /nfs/dbraw/zinc/41/25/79/1004412579.db2.gz VDTFYWZCLBSUMF-UHFFFAOYSA-N -1 1 368.220 2.762 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC001193226095 1004428357 /nfs/dbraw/zinc/42/83/57/1004428357.db2.gz XNZMBLHQYOONPM-LBPRGKRZSA-N -1 1 366.845 2.616 20 10 FFCDMM CC(=O)c1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001195882832 1005067859 /nfs/dbraw/zinc/06/78/59/1005067859.db2.gz RDSZHQVCLRUXRR-UHFFFAOYSA-N -1 1 357.790 2.866 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c1[O-] ZINC000853587155 1006460384 /nfs/dbraw/zinc/46/03/84/1006460384.db2.gz FRYYAZRCUNKIRM-HZPDHXFCSA-N -1 1 353.418 2.797 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c1[O-] ZINC000853587155 1006460388 /nfs/dbraw/zinc/46/03/88/1006460388.db2.gz FRYYAZRCUNKIRM-HZPDHXFCSA-N -1 1 353.418 2.797 20 10 FFCDMM CC(C)[C@@H](CCNC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000857333318 1008123907 /nfs/dbraw/zinc/12/39/07/1008123907.db2.gz UQRNDSFUULKLSZ-GFCCVEGCSA-N -1 1 370.421 2.906 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858084535 1008298819 /nfs/dbraw/zinc/29/88/19/1008298819.db2.gz JJCCROYVPZANJA-CYBMUJFWSA-N -1 1 358.369 2.803 20 10 FFCDMM C[C@H](C(=O)NCc1cccc(Cl)c1[O-])n1nnc(-c2ccccc2)n1 ZINC001180409605 1009684444 /nfs/dbraw/zinc/68/44/44/1009684444.db2.gz FBASJVMHDLWLQW-LLVKDONJSA-N -1 1 357.801 2.577 20 10 FFCDMM O=C(CCc1ccc(O)c(O)c1)Nc1nc(Br)ccc1[O-] ZINC001182153853 1010402707 /nfs/dbraw/zinc/40/27/07/1010402707.db2.gz NAEBAJVNGAANQV-UHFFFAOYSA-N -1 1 353.172 2.532 20 10 FFCDMM CC[C@@H](C)N1CC[C@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274706332 1011603214 /nfs/dbraw/zinc/60/32/14/1011603214.db2.gz NRQFRKGVCSFAJM-ZMZPIMSZSA-N -1 1 366.845 2.614 20 10 FFCDMM Cc1cnccc1-c1noc(-c2ccc([O-])c(CN3CCOCC3)c2)n1 ZINC001217056838 1032598721 /nfs/dbraw/zinc/59/87/21/1032598721.db2.gz SSFHGHNJZNPOLR-UHFFFAOYSA-N -1 1 352.394 2.645 20 10 FFCDMM N#Cc1ccc(C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)cc1[O-] ZINC000189000993 1023184243 /nfs/dbraw/zinc/18/42/43/1023184243.db2.gz PEFGLMOKXOETRR-QGZVFWFLSA-N -1 1 352.390 2.791 20 10 FFCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3C[C@@H](O)C3)c21 ZINC001218432925 1033152924 /nfs/dbraw/zinc/15/29/24/1033152924.db2.gz SBKJXEZGQDBQGI-YOIRWDDOSA-N -1 1 372.373 2.660 20 10 FFCDMM O=C(NCc1ccc2c(c1)CCC2)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155218375 1028630327 /nfs/dbraw/zinc/63/03/27/1028630327.db2.gz SVPLXARWEZRJTF-UHFFFAOYSA-N -1 1 351.358 2.623 20 10 FFCDMM Cc1cccnc1[C@@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)C1CC1 ZINC001155234021 1028639788 /nfs/dbraw/zinc/63/97/88/1028639788.db2.gz IYAJJAIVNAIHGA-SFHVURJKSA-N -1 1 366.373 2.789 20 10 FFCDMM Nc1nc(Cl)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001156789764 1029347649 /nfs/dbraw/zinc/34/76/49/1029347649.db2.gz BXMFYKIYXJKQFQ-UHFFFAOYSA-N -1 1 356.607 2.715 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1-c1ccccn1 ZINC000782699859 1029788704 /nfs/dbraw/zinc/78/87/04/1029788704.db2.gz FRNJCFBVUZMITP-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM O=C(COc1ccc(C(F)(F)F)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783043595 1029883011 /nfs/dbraw/zinc/88/30/11/1029883011.db2.gz VETCCWCIUFIMGG-UHFFFAOYSA-N -1 1 370.279 2.922 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nn1-c1ccc(C)cc1 ZINC000784567738 1030689893 /nfs/dbraw/zinc/68/98/93/1030689893.db2.gz RVIVMEKUEYZMKP-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM O=C(COC(=O)c1ncoc1-c1ccc(F)cc1)c1ccc([O-])c(O)c1 ZINC000784769259 1030798571 /nfs/dbraw/zinc/79/85/71/1030798571.db2.gz NIBLIAPLJRKWQS-UHFFFAOYSA-N -1 1 357.293 2.932 20 10 FFCDMM COc1ccc(OC)c([C@@H]2C[C@@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784894629 1030869176 /nfs/dbraw/zinc/86/91/76/1030869176.db2.gz IAGSZJYVFTZPEV-ZFWWWQNUSA-N -1 1 372.373 2.645 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2cccnc2)CC1 ZINC001139126737 1034957344 /nfs/dbraw/zinc/95/73/44/1034957344.db2.gz OMUCMLJIOGXQCX-UHFFFAOYSA-N -1 1 365.433 2.520 20 10 FFCDMM CN1C(=O)CC[C@H]2C[N@H+](Cc3c([O-])cc(Br)cc3F)CC[C@H]21 ZINC001233033943 1036274452 /nfs/dbraw/zinc/27/44/52/1036274452.db2.gz YWDAKUXNRVSMOU-IINYFYTJSA-N -1 1 371.250 2.737 20 10 FFCDMM COC(C[C@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)OC ZINC001229196791 1036547248 /nfs/dbraw/zinc/54/72/48/1036547248.db2.gz HXAQRFLWHDMOHM-JTQLQIEISA-N -1 1 372.373 2.650 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1OC[C@H]1CCC=CO1 ZINC001229784869 1036893025 /nfs/dbraw/zinc/89/30/25/1036893025.db2.gz BNIPNSVBQAYRNF-LLVKDONJSA-N -1 1 374.345 2.517 20 10 FFCDMM Cc1cc2n(n1)c(=O)cc(C)n2Cc1cc(Br)cc(F)c1[O-] ZINC001235068419 1037339125 /nfs/dbraw/zinc/33/91/25/1037339125.db2.gz HJMLHGKHYVQUTG-UHFFFAOYSA-N -1 1 366.190 2.768 20 10 FFCDMM CCOCCN1CC[C@@]2(CCCN2Cc2cc(F)cc(Cl)c2[O-])C1=O ZINC001277508193 1037541662 /nfs/dbraw/zinc/54/16/62/1037541662.db2.gz VEKDGXDUIUGJLP-SFHVURJKSA-N -1 1 370.852 2.788 20 10 FFCDMM COC(=O)CC[C@H]1COCCN1Cc1cc(C)cc(Br)c1[O-] ZINC001236671764 1038185025 /nfs/dbraw/zinc/18/50/25/1038185025.db2.gz YDYOBILADWZWMS-ZDUSSCGKSA-N -1 1 372.259 2.617 20 10 FFCDMM O=C([C@@H]1CCCO1)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078048 1038438362 /nfs/dbraw/zinc/43/83/62/1038438362.db2.gz MOZKOVRTVSURTO-AWEZNQCLSA-N -1 1 359.253 2.522 20 10 FFCDMM CNC(=O)[C@H]1CC12CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001278043990 1038439618 /nfs/dbraw/zinc/43/96/18/1038439618.db2.gz AFRQTEAQQQOING-GFCCVEGCSA-N -1 1 371.250 2.642 20 10 FFCDMM O=S(=O)(Nc1ccc(O)cc1O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251383781 1039103741 /nfs/dbraw/zinc/10/37/41/1039103741.db2.gz GVGDXOZCTUPEEV-UHFFFAOYSA-N -1 1 350.179 2.911 20 10 FFCDMM O=c1cc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])nc(Cl)[nH]1 ZINC001251394161 1039108765 /nfs/dbraw/zinc/10/87/65/1039108765.db2.gz DQRQEDGAAYITGM-UHFFFAOYSA-N -1 1 370.601 2.649 20 10 FFCDMM Cc1cnn2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])cnc12 ZINC001251394858 1039108844 /nfs/dbraw/zinc/10/88/44/1039108844.db2.gz XQYQOVNWQAJIAB-UHFFFAOYSA-N -1 1 373.221 2.851 20 10 FFCDMM COc1ccc(OCCCS(=O)(=O)Nc2c(F)cc([O-])cc2F)cc1 ZINC001259649841 1040136069 /nfs/dbraw/zinc/13/60/69/1040136069.db2.gz UQRLUOAVAIJPTP-UHFFFAOYSA-N -1 1 373.377 2.890 20 10 FFCDMM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cc(Cl)sc1Cl ZINC001260473469 1040615477 /nfs/dbraw/zinc/61/54/77/1040615477.db2.gz TXZYHKIPXSXSHH-UHFFFAOYSA-N -1 1 368.263 2.987 20 10 FFCDMM O=S(=O)(Nc1cccc(O)c1O)c1cc(Cl)c([O-])c(Cl)c1 ZINC001260875279 1040863938 /nfs/dbraw/zinc/86/39/38/1040863938.db2.gz OPERBIPIKUDGPV-UHFFFAOYSA-N -1 1 350.179 2.911 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ccc(Cl)c2nonc21 ZINC001261072652 1040978267 /nfs/dbraw/zinc/97/82/67/1040978267.db2.gz BFFYDJJWRWCOFR-UHFFFAOYSA-N -1 1 361.713 2.661 20 10 FFCDMM Cc1cc2c(cc1S(=O)(=O)NCc1cccc(Cl)c1[O-])OCO2 ZINC001214006501 1041157485 /nfs/dbraw/zinc/15/74/85/1041157485.db2.gz NOOOXDKHAYYURP-UHFFFAOYSA-N -1 1 355.799 2.561 20 10 FFCDMM CC[C@@H](C)[C@H](NC(=O)C(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001262776537 1041849681 /nfs/dbraw/zinc/84/96/81/1041849681.db2.gz HCKJZQLVLKPZPU-PELKAZGASA-N -1 1 366.767 2.755 20 10 FFCDMM CCNC(=O)CN(C)Cc1cc(Br)cc(C(F)(F)F)c1[O-] ZINC001237784912 1043355783 /nfs/dbraw/zinc/35/57/83/1043355783.db2.gz ZGZLINJWMCRGSS-UHFFFAOYSA-N -1 1 369.181 2.741 20 10 FFCDMM COc1cnc(O[C@@H]2CC[N@@H+](Cc3cc(F)cc(Cl)c3[O-])C2)nc1 ZINC001237802739 1043368898 /nfs/dbraw/zinc/36/88/98/1043368898.db2.gz OHKZWSANMGURHD-GFCCVEGCSA-N -1 1 353.781 2.637 20 10 FFCDMM O=C(Nc1ccc(O)cc1O)[C@]12C[C@H]1CCN2Cc1c([O-])cccc1F ZINC001280006780 1044077834 /nfs/dbraw/zinc/07/78/34/1044077834.db2.gz POIYAVHJWYBTKT-WYRIXSBYSA-N -1 1 358.369 2.546 20 10 FFCDMM Cn1cc(-c2nc(C(=O)[N-]c3c4nonc4ccc3Cl)cs2)cn1 ZINC001325344253 1046476536 /nfs/dbraw/zinc/47/65/36/1046476536.db2.gz BHFBLDPSPHYHAP-UHFFFAOYSA-N -1 1 360.786 2.986 20 10 FFCDMM O=C(CSc1ncc(Cl)s1)[N-]C(=O)c1cccc([N+](=O)[O-])c1 ZINC001307376852 1052295583 /nfs/dbraw/zinc/29/55/83/1052295583.db2.gz IMMPEWVJMMUIAP-UHFFFAOYSA-N -1 1 357.800 2.753 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1C ZINC001347976287 1054519432 /nfs/dbraw/zinc/51/94/32/1054519432.db2.gz XRNNEDRCSQNUGM-HNNXBMFYSA-N -1 1 350.426 2.545 20 10 FFCDMM Cc1cc(C(=O)NC2(c3nn[n-]n3)CCC2)c(C)n1-c1cccc(C)c1 ZINC001455354734 1059769453 /nfs/dbraw/zinc/76/94/53/1059769453.db2.gz ZIOKWUBYOYPEDY-UHFFFAOYSA-N -1 1 350.426 2.725 20 10 FFCDMM COc1cc(F)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1F ZINC001464787215 1062823863 /nfs/dbraw/zinc/82/38/63/1062823863.db2.gz JTSUVPARUFRESN-UHFFFAOYSA-N -1 1 363.769 2.811 20 10 FFCDMM O=C(NCCn1cc(Br)cn1)NCc1cccc(Cl)c1[O-] ZINC001470101630 1064258257 /nfs/dbraw/zinc/25/82/57/1064258257.db2.gz OUNIFUZKDGRRCL-UHFFFAOYSA-N -1 1 373.638 2.504 20 10 FFCDMM Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1S(=O)(=O)N(C)C ZINC001474139339 1065462200 /nfs/dbraw/zinc/46/22/00/1065462200.db2.gz BUXLLPQNJJRUQJ-UHFFFAOYSA-N -1 1 356.394 2.841 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)CCCC(=O)[O-])C1 ZINC001588923364 1080268744 /nfs/dbraw/zinc/26/87/44/1080268744.db2.gz VBVPAEPASYFGRL-UHFFFAOYSA-N -1 1 371.481 2.731 20 10 FFCDMM C[C@H](Nc1ccc(N2CCCC2)nc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589981172 1080920049 /nfs/dbraw/zinc/92/00/49/1080920049.db2.gz JYLFNBFDPLSDSZ-LBPRGKRZSA-N -1 1 351.414 2.741 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2[C@@H]2CCCC2=O)c1[O-] ZINC000368958099 512156528 /nfs/dbraw/zinc/15/65/28/512156528.db2.gz WVBCVDUYUJGQPC-HOCLYGCPSA-N -1 1 351.830 2.818 20 10 FFCDMM CC(=O)N1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)cc2C[C@H]1C ZINC000028686516 507736520 /nfs/dbraw/zinc/73/65/20/507736520.db2.gz HNUZDVCLZLAJCX-LLVKDONJSA-N -1 1 374.418 2.514 20 10 FFCDMM CC1(C)C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])CCO1 ZINC000277428102 510963563 /nfs/dbraw/zinc/96/35/63/510963563.db2.gz LQANWQAHMJAWOV-NSHDSACASA-N -1 1 357.248 2.912 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CC[C@@H](C(F)(F)F)[C@H](CO)C2)c1[O-] ZINC000289866901 511117883 /nfs/dbraw/zinc/11/78/83/511117883.db2.gz VQDVDPUFIZLHOD-GXSJLCMTSA-N -1 1 368.739 2.947 20 10 FFCDMM Cc1nc(S(=O)(=O)[N-]Cc2ccc(N3CCCC3)cc2)sc1C ZINC000746404110 735481650 /nfs/dbraw/zinc/48/16/50/735481650.db2.gz VSLTUOCFEVBNPL-UHFFFAOYSA-N -1 1 351.497 2.839 20 10 FFCDMM O=S1(=O)CCCN1c1cc(NCc2cc(F)cc(F)c2[O-])ccc1F ZINC000883077241 733328888 /nfs/dbraw/zinc/32/88/88/733328888.db2.gz DCRGTCARTNSYRU-UHFFFAOYSA-N -1 1 372.368 2.962 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1nn2c(c1Br)CCC2 ZINC000890763568 734337130 /nfs/dbraw/zinc/33/71/30/734337130.db2.gz YJIFTPWMDVUFDP-UHFFFAOYSA-N -1 1 370.634 2.881 20 10 FFCDMM CCCCc1ccc([C@@H](NC=C2C(=O)[N-]C(=S)NC2=O)C(C)C)cc1 ZINC000730985865 734660647 /nfs/dbraw/zinc/66/06/47/734660647.db2.gz ZCHYJCLOEDPCMQ-INIZCTEOSA-N -1 1 359.495 2.731 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc3ccsc3s2)c1 ZINC000735522130 734949722 /nfs/dbraw/zinc/94/97/22/734949722.db2.gz VFGGTNPYCPFJHK-UHFFFAOYSA-N -1 1 369.449 2.687 20 10 FFCDMM CC(=O)Nc1ccc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784223888 738870778 /nfs/dbraw/zinc/87/07/78/738870778.db2.gz WGBRXAKVEWISAW-UHFFFAOYSA-N -1 1 363.753 2.749 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCc3ccccc3[C@H]2C(N)=O)c1[O-] ZINC000750045838 735768339 /nfs/dbraw/zinc/76/83/39/735768339.db2.gz YMBFVRVQNJITLS-KRWDZBQOSA-N -1 1 358.825 2.833 20 10 FFCDMM O=Cc1ccccc1OCC(=O)NCc1cccc(Br)c1[O-] ZINC000765758560 737154881 /nfs/dbraw/zinc/15/48/81/737154881.db2.gz ZANMZHVNXIYTHG-UHFFFAOYSA-N -1 1 364.195 2.662 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc3ncccc32)c1 ZINC000769617006 737547160 /nfs/dbraw/zinc/54/71/60/737547160.db2.gz NIJCCYQATWSLTQ-UHFFFAOYSA-N -1 1 357.391 2.564 20 10 FFCDMM CCOc1cc(F)ccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000769708407 737556635 /nfs/dbraw/zinc/55/66/35/737556635.db2.gz FFLANCJWAHNGMZ-UHFFFAOYSA-N -1 1 368.386 2.554 20 10 FFCDMM CCOc1ccc(S(=O)(=O)[N-]c2ccc(O)c(COC(C)C)c2)cn1 ZINC000811703502 741549607 /nfs/dbraw/zinc/54/96/07/741549607.db2.gz SUZHOFGOVMXEID-UHFFFAOYSA-N -1 1 366.439 2.912 20 10 FFCDMM Cc1ccc(Cl)c(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000916591534 737713440 /nfs/dbraw/zinc/71/34/40/737713440.db2.gz TUGQFFQSJGZJTR-UHFFFAOYSA-N -1 1 350.754 2.865 20 10 FFCDMM Cc1cscc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000771527951 737732590 /nfs/dbraw/zinc/73/25/90/737732590.db2.gz YXQCCMGXJSRKFO-UHFFFAOYSA-N -1 1 351.409 2.851 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2cccc(C(F)(F)F)c2)C(=O)[N-]C1=S ZINC000920975032 737937372 /nfs/dbraw/zinc/93/73/72/737937372.db2.gz YHLCGHNKQQVSQY-GHXNOFRVSA-N -1 1 371.384 2.901 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)NC(C)(C)C)CC2)c1[O-] ZINC000775720737 738117488 /nfs/dbraw/zinc/11/74/88/738117488.db2.gz BRAVMZLXRAXZCT-UHFFFAOYSA-N -1 1 367.877 2.874 20 10 FFCDMM COc1ccc(Cl)c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000776432761 738193638 /nfs/dbraw/zinc/19/36/38/738193638.db2.gz BABHTDCMOLIIJR-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000776433030 738193677 /nfs/dbraw/zinc/19/36/77/738193677.db2.gz JQZKBKPMXOVICX-UHFFFAOYSA-N -1 1 350.377 2.501 20 10 FFCDMM Cn1nc([C@@H]2CCCO2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000931135568 739217134 /nfs/dbraw/zinc/21/71/34/739217134.db2.gz GWFBIZNRJADDIO-ZDUSSCGKSA-N -1 1 350.806 2.952 20 10 FFCDMM C[C@H]1OCC[C@@]12C[N@H+](Cc1cc(Br)ccc1O)C[C@@H](C)O2 ZINC000790932280 739515523 /nfs/dbraw/zinc/51/55/23/739515523.db2.gz NFIJIWYVKZLOJY-XHBSWPGZSA-N -1 1 356.260 2.923 20 10 FFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000792702322 739695433 /nfs/dbraw/zinc/69/54/33/739695433.db2.gz QNMBQENFJBFZQL-UHFFFAOYSA-N -1 1 369.420 2.627 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnn1[C@@H]1CCCOC1 ZINC000934660617 739820155 /nfs/dbraw/zinc/82/01/55/739820155.db2.gz CBQODQNISZVPAI-GFCCVEGCSA-N -1 1 350.806 2.915 20 10 FFCDMM CC(C)Cn1[n-]c(CC(=O)NCc2cc(Cl)cc(Cl)c2O)cc1=O ZINC000935992826 740042276 /nfs/dbraw/zinc/04/22/76/740042276.db2.gz PLMRRHMXAVDQCY-UHFFFAOYSA-N -1 1 372.252 2.704 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c([O-])cc2F)c(C)o1 ZINC000808114426 741188097 /nfs/dbraw/zinc/18/80/97/741188097.db2.gz XSWMIXKGZJVTFE-UHFFFAOYSA-N -1 1 363.750 2.674 20 10 FFCDMM O=C(COc1ccc(Cl)c(F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815299807 741923205 /nfs/dbraw/zinc/92/32/05/741923205.db2.gz QPGQDVIIIADCCK-UHFFFAOYSA-N -1 1 354.717 2.695 20 10 FFCDMM Cc1cc(O)c(C[N@@H+](CC(=O)N2CCCC2)C[C@H]2CCCO2)cc1Cl ZINC000824870046 743168220 /nfs/dbraw/zinc/16/82/20/743168220.db2.gz LTNZGSYMVGXHSC-MRXNPFEDSA-N -1 1 366.889 2.957 20 10 FFCDMM COc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3cc(F)ccc3F)C2)cc1 ZINC000849415718 749142917 /nfs/dbraw/zinc/14/29/17/749142917.db2.gz FUCWUABUQYXKPC-ZDUSSCGKSA-N -1 1 368.405 2.531 20 10 FFCDMM O=C(COC(=O)c1cnn(-c2cccc(Cl)c2)c1)c1ccc([O-])c(O)c1 ZINC000783094909 970866994 /nfs/dbraw/zinc/86/69/94/970866994.db2.gz HORPBYDHMVNSAW-UHFFFAOYSA-N -1 1 372.764 2.977 20 10 FFCDMM COC(=O)C1CC2(C1)C[N@H+](Cc1ccc3ccccc3c1[O-])C[C@H]2C(=O)[O-] ZINC001593824597 955083402 /nfs/dbraw/zinc/08/34/02/955083402.db2.gz PJDLOYOMPALQGN-LBKMDBTOSA-N -1 1 369.417 2.631 20 10 FFCDMM COC(=O)C1CC2(C1)C[N@@H+](Cc1ccc3ccccc3c1[O-])C[C@H]2C(=O)[O-] ZINC001593824597 955083415 /nfs/dbraw/zinc/08/34/15/955083415.db2.gz PJDLOYOMPALQGN-LBKMDBTOSA-N -1 1 369.417 2.631 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](c1ccccc1)N1CCC(O)CC1 ZINC000890760128 960321462 /nfs/dbraw/zinc/32/14/62/960321462.db2.gz JAIQHYUBDOXFBT-SFHVURJKSA-N -1 1 374.868 2.860 20 10 FFCDMM CC[C@@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001275951944 1013220563 /nfs/dbraw/zinc/22/05/63/1013220563.db2.gz REORYPRJBAHWNQ-BFUOFWGJSA-N -1 1 368.424 2.520 20 10 FFCDMM CN1CCN(c2ccc(CNc3ccc(C(=O)[O-])c([N+](=O)[O-])c3)cc2)CC1 ZINC001167436924 963265851 /nfs/dbraw/zinc/26/58/51/963265851.db2.gz HJGYTCISIIOAGG-UHFFFAOYSA-N -1 1 370.409 2.657 20 10 FFCDMM O=C1N(Cc2ccncc2)CC[C@]12CCC[N@H+]2Cc1cccc(F)c1O ZINC001276086760 1013427855 /nfs/dbraw/zinc/42/78/55/1013427855.db2.gz UAKRDVPPSMPDNW-HXUWFJFHSA-N -1 1 355.413 2.693 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c2cnn(C(C)C)c2n1 ZINC000782621315 969190849 /nfs/dbraw/zinc/19/08/49/969190849.db2.gz UGKFOEJGGZYGEV-UHFFFAOYSA-N -1 1 369.377 2.772 20 10 FFCDMM CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cc(Br)cc(F)c1[O-] ZINC001591711944 975599666 /nfs/dbraw/zinc/59/96/66/975599666.db2.gz NIAFTVKSWQCWGB-LBPRGKRZSA-N -1 1 364.211 2.604 20 10 FFCDMM CCN(CC)c1ccc(C[N@H+]2C[C@H](C(=O)[O-])C3(CC(C(=O)[O-])C3)C2)cc1 ZINC001596289417 983709552 /nfs/dbraw/zinc/70/95/52/983709552.db2.gz HZGAZUICHWQPSK-RYZJOYRSSA-N -1 1 360.454 2.530 20 10 FFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cn(CCc2ccccc2)nn1 ZINC001128603421 989546945 /nfs/dbraw/zinc/54/69/45/989546945.db2.gz IFZQMEPRICWWMC-UHFFFAOYSA-N -1 1 368.784 2.963 20 10 FFCDMM CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2cc(Br)ccc2[O-])C(=O)[O-])C1 ZINC001599109470 997541092 /nfs/dbraw/zinc/54/10/92/997541092.db2.gz QNTUWEASVPVSSQ-ZBINZKHDSA-N -1 1 372.259 2.903 20 10 FFCDMM C[N@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000732188670 998511082 /nfs/dbraw/zinc/51/10/82/998511082.db2.gz LFNYHNNQSDQNPK-QGZVFWFLSA-N -1 1 366.461 2.997 20 10 FFCDMM C[N@@H+](Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000732188670 998511096 /nfs/dbraw/zinc/51/10/96/998511096.db2.gz LFNYHNNQSDQNPK-QGZVFWFLSA-N -1 1 366.461 2.997 20 10 FFCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ncccc1[O-] ZINC000743735117 999830864 /nfs/dbraw/zinc/83/08/64/999830864.db2.gz DPUGJOWJWHDIBZ-GFCCVEGCSA-N -1 1 363.364 2.787 20 10 FFCDMM C[C@@H]1C[C@H](c2cccc(F)c2)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250329 1000244452 /nfs/dbraw/zinc/24/44/52/1000244452.db2.gz YVSAUXZVSCPGMK-BDJLRTHQSA-N -1 1 370.384 2.855 20 10 FFCDMM O=C(c1cc([O-])c(Br)c(O)c1)N1CCc2cccc(O)c2C1 ZINC001148989252 1001248454 /nfs/dbraw/zinc/24/84/54/1001248454.db2.gz OYSATZXDHYGUNR-UHFFFAOYSA-N -1 1 364.195 2.764 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCC34CCCC4)cc12 ZINC001184358836 1002566861 /nfs/dbraw/zinc/56/68/61/1002566861.db2.gz CSTSOWAHJYXHML-UHFFFAOYSA-N -1 1 370.449 2.784 20 10 FFCDMM CCN(Cc1ccc(N(C)C)cc1)S(=O)(=O)c1cc(OC)ccc1[O-] ZINC001185068063 1002805152 /nfs/dbraw/zinc/80/51/52/1002805152.db2.gz UBLIJWQDSCQPQK-UHFFFAOYSA-N -1 1 364.467 2.678 20 10 FFCDMM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(O)cc3C(F)(F)F)ccc2N1 ZINC001186932477 1003479403 /nfs/dbraw/zinc/47/94/03/1003479403.db2.gz NTHHRWMVUBCGID-UHFFFAOYSA-N -1 1 372.324 2.706 20 10 FFCDMM COC(=O)[C@@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1ccc(C)c(C)c1 ZINC000775084430 1003554422 /nfs/dbraw/zinc/55/44/22/1003554422.db2.gz MEJMIYRSGCWEAZ-INIZCTEOSA-N -1 1 374.393 2.930 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1c(Cl)nc2sccn21 ZINC001187136020 1003581741 /nfs/dbraw/zinc/58/17/41/1003581741.db2.gz GYWZQVGAUJHELL-UHFFFAOYSA-N -1 1 365.770 2.834 20 10 FFCDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)c1 ZINC001197115244 1004091371 /nfs/dbraw/zinc/09/13/71/1004091371.db2.gz OTAFVBIMYYSWNW-ZHACJKMWSA-N -1 1 360.435 2.740 20 10 FFCDMM COC(=O)c1ccnc(Cl)c1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193210413 1004403269 /nfs/dbraw/zinc/40/32/69/1004403269.db2.gz YTTHCXQMDAPZLT-UHFFFAOYSA-N -1 1 357.149 2.839 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCc2[nH]nc(C(F)(F)F)c2C1 ZINC001193232658 1004411303 /nfs/dbraw/zinc/41/13/03/1004411303.db2.gz MOZSWJYOPHNCAV-UHFFFAOYSA-N -1 1 361.707 2.692 20 10 FFCDMM CCOC(=O)c1coc2c1CN(C(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193232932 1004411871 /nfs/dbraw/zinc/41/18/71/1004411871.db2.gz RAQICWJLYVJVNW-UHFFFAOYSA-N -1 1 351.742 2.677 20 10 FFCDMM O=C(NC1(Cc2ccccn2)CCOCC1)c1ccc(O)c([O-])c1Cl ZINC001193247130 1004417767 /nfs/dbraw/zinc/41/77/67/1004417767.db2.gz MDZFIROWMSAJNL-UHFFFAOYSA-N -1 1 362.813 2.668 20 10 FFCDMM COC(=O)c1ccc(C)c(S(=O)(=O)[N-]c2cc(F)c(O)c(F)c2)c1 ZINC001193428306 1004485491 /nfs/dbraw/zinc/48/54/91/1004485491.db2.gz QYLVPMPMTIVSFR-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(C(F)(F)F)cn1 ZINC001194304872 1004698764 /nfs/dbraw/zinc/69/87/64/1004698764.db2.gz RVABMJKQUGYGMS-UHFFFAOYSA-N -1 1 354.256 2.885 20 10 FFCDMM O=C(CNC(=O)c1ccc(Cl)c(C(F)(F)F)n1)c1ccc([O-])c(O)c1 ZINC001195670738 1005011150 /nfs/dbraw/zinc/01/11/50/1005011150.db2.gz KTBWBPYFLBLYEN-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM Cc1cc(C)n(-c2ccccc2C(=O)NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001188255524 1006486799 /nfs/dbraw/zinc/48/67/99/1006486799.db2.gz CCKSCNFDVCPVRK-UHFFFAOYSA-N -1 1 365.389 2.513 20 10 FFCDMM COc1ccc2c(c1)OCCN(Cc1ccc([N+](=O)[O-])c(OC)c1[O-])C2 ZINC000802659289 1020301620 /nfs/dbraw/zinc/30/16/20/1020301620.db2.gz IGFOIUKXEODTRZ-UHFFFAOYSA-N -1 1 360.366 2.712 20 10 FFCDMM CN(C)c1ccc(CN(C)C(=O)CSc2nc(C3CC3)cc(=O)[n-]2)cc1 ZINC000188139631 1023021215 /nfs/dbraw/zinc/02/12/15/1023021215.db2.gz COYPPCMSMOOFEU-UHFFFAOYSA-N -1 1 372.494 2.876 20 10 FFCDMM O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1c([O-])cccc1F ZINC000837710502 1025977426 /nfs/dbraw/zinc/97/74/26/1025977426.db2.gz RVRDYZKCZZZNKA-UHFFFAOYSA-N -1 1 366.339 2.576 20 10 FFCDMM CC(=O)N(C)[C@@H]1CCN(Cc2cc(Cl)cc(Br)c2[O-])C1 ZINC001141374244 1026070776 /nfs/dbraw/zinc/07/07/76/1026070776.db2.gz CPSOOWZFPVFWST-GFCCVEGCSA-N -1 1 361.667 2.861 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCCC2(CC(F)C2)CC1 ZINC001155226049 1028633813 /nfs/dbraw/zinc/63/38/13/1028633813.db2.gz PBESAXICXLNCPL-UHFFFAOYSA-N -1 1 361.369 2.949 20 10 FFCDMM Cc1ccc(CCNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c(C)c1 ZINC001155232683 1028638019 /nfs/dbraw/zinc/63/80/19/1028638019.db2.gz UXYWWSWCOIYMLI-UHFFFAOYSA-N -1 1 353.374 2.794 20 10 FFCDMM Cc1cc(-n2c(C)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2C)no1 ZINC000782521492 1029731321 /nfs/dbraw/zinc/73/13/21/1029731321.db2.gz MDRZKAYKGATYGD-UHFFFAOYSA-N -1 1 370.361 2.841 20 10 FFCDMM O=C(COC(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12)c1ccc([O-])c(O)c1 ZINC000782575538 1029752354 /nfs/dbraw/zinc/75/23/54/1029752354.db2.gz SLZBQXTXPVDASP-UHFFFAOYSA-N -1 1 356.290 2.527 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1nc2ccccc2c(=O)[n-]1 ZINC000840931452 1029931643 /nfs/dbraw/zinc/93/16/43/1029931643.db2.gz WCWZLTYAWUNLAB-AWEZNQCLSA-N -1 1 364.449 2.659 20 10 FFCDMM CC(C)Cn1ncc2cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cnc21 ZINC000783324446 1030032137 /nfs/dbraw/zinc/03/21/37/1030032137.db2.gz XVJRLPNSRDPHOB-UHFFFAOYSA-N -1 1 369.377 2.538 20 10 FFCDMM CCOc1cc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1O ZINC000784469764 1030635598 /nfs/dbraw/zinc/63/55/98/1030635598.db2.gz HSHGDGNVHNSLLW-YWEYNIOJSA-N -1 1 358.346 2.641 20 10 FFCDMM O=C(COC(=O)c1ccc(-c2cncnc2)cc1F)c1ccc([O-])c(O)c1 ZINC000784808453 1030824441 /nfs/dbraw/zinc/82/44/41/1030824441.db2.gz JPUJVFMBIALECT-UHFFFAOYSA-N -1 1 368.320 2.734 20 10 FFCDMM O=C1CC(Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228194739 1035985173 /nfs/dbraw/zinc/98/51/73/1035985173.db2.gz QTWYDLQYTCETCL-INIZCTEOSA-N -1 1 356.330 2.620 20 10 FFCDMM Oc1cc(I)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001232980206 1036215388 /nfs/dbraw/zinc/21/53/88/1036215388.db2.gz NNAXDXIBGGCTKP-CQSZACIVSA-N -1 1 359.207 2.752 20 10 FFCDMM CC(=O)N(C)C1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233030371 1036269764 /nfs/dbraw/zinc/26/97/64/1036269764.db2.gz QTIHJYNIIXDAGJ-UHFFFAOYSA-N -1 1 359.239 2.737 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1[C@H]2C[N@@H+](Cc3c(O)ccc(F)c3F)C[C@H]21 ZINC001233331635 1036538395 /nfs/dbraw/zinc/53/83/95/1036538395.db2.gz DXXRTLINDDIEJI-CNDDSTCGSA-N -1 1 354.397 2.873 20 10 FFCDMM CCOC(=O)[C@H](CC)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197927 1036549652 /nfs/dbraw/zinc/54/96/52/1036549652.db2.gz RWDYDEXGNIPPQV-ZDUSSCGKSA-N -1 1 370.357 2.594 20 10 FFCDMM O=C(N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1)C(F)(F)F ZINC001233416602 1036610719 /nfs/dbraw/zinc/61/07/19/1036610719.db2.gz OMEFYTNXBMFQND-UHFFFAOYSA-N -1 1 356.266 2.618 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CC(N2CCC(F)CC2)C1 ZINC001235301741 1037461516 /nfs/dbraw/zinc/46/15/16/1037461516.db2.gz GOKJBWBFXFJHJS-UHFFFAOYSA-N -1 1 361.230 2.912 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231452817 1037591626 /nfs/dbraw/zinc/59/16/26/1037591626.db2.gz GGJLLXJEGWFPEL-SFHVURJKSA-N -1 1 368.405 2.529 20 10 FFCDMM COC[C@H]1c2nnn(C)c2CCN1Cc1cc(Cl)c(Cl)cc1[O-] ZINC001236789068 1038271595 /nfs/dbraw/zinc/27/15/95/1038271595.db2.gz BHLHTCJPMZBEQT-ZDUSSCGKSA-N -1 1 357.241 2.573 20 10 FFCDMM [O-]c1ccc(Cl)c(Cl)c1CN1CCN(c2ncc(O)cn2)CC1 ZINC001237084170 1038439701 /nfs/dbraw/zinc/43/97/01/1038439701.db2.gz HUSZTGLDFUYAQN-UHFFFAOYSA-N -1 1 355.225 2.517 20 10 FFCDMM CN(C)c1ccncc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-] ZINC001251390237 1039107064 /nfs/dbraw/zinc/10/70/64/1039107064.db2.gz VPYBRCHXALTVOM-UHFFFAOYSA-N -1 1 362.238 2.961 20 10 FFCDMM CC(C)CS(=O)(=O)[N-]c1ccc(O)c2c1C(=O)c1ccccc1C2=O ZINC001259886655 1040271190 /nfs/dbraw/zinc/27/11/90/1040271190.db2.gz ONMGGGQFGNYZMH-UHFFFAOYSA-N -1 1 359.403 2.565 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cccc3nonc32)c(Cl)cc1C ZINC001260441863 1040591819 /nfs/dbraw/zinc/59/18/19/1040591819.db2.gz CHJSZYCDNIXBKB-UHFFFAOYSA-N -1 1 353.787 2.994 20 10 FFCDMM Cc1noc(C[C@@H]2C[C@H]3CN(Cc4cc(Cl)cc(F)c4[O-])C[C@H]3O2)n1 ZINC001237618180 1043275290 /nfs/dbraw/zinc/27/52/90/1043275290.db2.gz GDFNDDSNJQOJHF-VZJVUDMVSA-N -1 1 367.808 2.708 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2cc(Cn3cccn3)nc2C1 ZINC001237938685 1043444455 /nfs/dbraw/zinc/44/44/55/1043444455.db2.gz MUCNZQFXPXNXQF-UHFFFAOYSA-N -1 1 361.808 2.642 20 10 FFCDMM CCOC[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])Cc2nnn(CC)c21 ZINC001237939469 1043445879 /nfs/dbraw/zinc/44/58/79/1043445879.db2.gz WQUSZFYVGQTNSS-LBPRGKRZSA-N -1 1 368.840 2.932 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(F)c(Cl)cc2[O-])CC[C@H]1O ZINC001237949336 1043450830 /nfs/dbraw/zinc/45/08/30/1043450830.db2.gz JZIXUDSTTJPKHF-ZIAGYGMSSA-N -1 1 374.840 2.645 20 10 FFCDMM O=S(=O)([N-]c1cc(-n2cccc2)ccc1F)c1cccc2nonc21 ZINC001319197856 1045063784 /nfs/dbraw/zinc/06/37/84/1045063784.db2.gz ZVSAJNNRCSCZLH-UHFFFAOYSA-N -1 1 358.354 2.953 20 10 FFCDMM Cc1nc(N(C)C)sc1C(=O)NCc1cccc(Br)c1[O-] ZINC001320796683 1045469986 /nfs/dbraw/zinc/46/99/86/1045469986.db2.gz AGBZOSSDFSLQGN-UHFFFAOYSA-N -1 1 370.272 2.916 20 10 FFCDMM O=[N+]([O-])c1cc(CNC2(c3nnn[n-]3)CCCC2)ccc1N1CCCCC1 ZINC000735407773 1048542952 /nfs/dbraw/zinc/54/29/52/1048542952.db2.gz PCBLKDYBMQTAJE-UHFFFAOYSA-N -1 1 371.445 2.657 20 10 FFCDMM O=C(NCc1ccccc1O)c1ccc(I)cc1[O-] ZINC001294924352 1049841098 /nfs/dbraw/zinc/84/10/98/1049841098.db2.gz BFCAVOZMAUNHQL-UHFFFAOYSA-N -1 1 369.158 2.632 20 10 FFCDMM C[C@H]1CCn2cc(C(=O)NCc3cccc(Br)c3[O-])nc2C1 ZINC001297439827 1050168667 /nfs/dbraw/zinc/16/86/67/1050168667.db2.gz JVLRUMHPHWBSKE-JTQLQIEISA-N -1 1 364.243 2.864 20 10 FFCDMM Cc1cc(=O)c(C(=O)NCc2cccc(Cl)c2[O-])nn1-c1ccccc1 ZINC001305070077 1051794423 /nfs/dbraw/zinc/79/44/23/1051794423.db2.gz XPUIRRFISCIXPJ-UHFFFAOYSA-N -1 1 369.808 2.830 20 10 FFCDMM Cc1cnc(C(=O)NCc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(F)c2)c([O-])c1 ZINC001543233485 1071422353 /nfs/dbraw/zinc/42/23/53/1071422353.db2.gz MTZRKVZGKYKVPI-OKILXGFUSA-N -1 1 373.428 2.778 20 10 FFCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)N1CCc2ccccc21 ZINC000848871837 1055276219 /nfs/dbraw/zinc/27/62/19/1055276219.db2.gz ROEARQGHUOCSNA-CYBMUJFWSA-N -1 1 355.390 2.665 20 10 FFCDMM COc1c([O-])c(CN[C@H](C)C(=O)OCc2ccccc2)ccc1[N+](=O)[O-] ZINC000848922309 1055370765 /nfs/dbraw/zinc/37/07/65/1055370765.db2.gz OSGXXPLVAVLGQT-GFCCVEGCSA-N -1 1 360.366 2.531 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Cl)c1[O-])c1nnc2n1CCCCC2 ZINC001521227173 1060476575 /nfs/dbraw/zinc/47/65/75/1060476575.db2.gz QSAQUUUQKQLPLP-NSHDSACASA-N -1 1 363.849 2.924 20 10 FFCDMM C[C@@H]([N-]S(=O)(=O)N=[S@@](C)(=O)c1ccccc1F)c1ccccc1O ZINC001475585976 1061150546 /nfs/dbraw/zinc/15/05/46/1061150546.db2.gz QSDHWBJXGHHJNM-BGJPBQGDSA-N -1 1 372.443 2.584 20 10 FFCDMM COc1ccc(F)cc1CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001464791583 1062827235 /nfs/dbraw/zinc/82/72/35/1062827235.db2.gz SNGHYPJTBGJTCD-UHFFFAOYSA-N -1 1 359.806 2.813 20 10 FFCDMM Cn1cc(Br)c(CNC(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001564785978 1076659482 /nfs/dbraw/zinc/65/94/82/1076659482.db2.gz TWROTASYZSVNNE-UHFFFAOYSA-N -1 1 373.638 2.541 20 10 FFCDMM C[C@@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccc(N(C)C)cc1 ZINC001589935814 1080879238 /nfs/dbraw/zinc/87/92/38/1080879238.db2.gz MKTIHLYUYBHQTI-LLVKDONJSA-N -1 1 371.470 2.555 20 10 FFCDMM C[C@@H](Nc1ccc(OC2COC2)cc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589980912 1080920563 /nfs/dbraw/zinc/92/05/63/1080920563.db2.gz IMXRVGIIONYSHS-LLVKDONJSA-N -1 1 353.382 2.523 20 10 FFCDMM CC(C)C[C@H](CCO)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277731680 510970074 /nfs/dbraw/zinc/97/00/74/510970074.db2.gz LEOZESHQQHKFGB-LBPRGKRZSA-N -1 1 373.291 2.999 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@@H]2OCC[C@@H]21 ZINC000277489746 510963880 /nfs/dbraw/zinc/96/38/80/510963880.db2.gz QIMJJUUEBBNALL-BNOWGMLFSA-N -1 1 369.259 2.912 20 10 FFCDMM COC(=O)N[C@@H](CC(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277569177 510966123 /nfs/dbraw/zinc/96/61/23/510966123.db2.gz QHXSIAVAURFIBJ-LBPRGKRZSA-N -1 1 373.247 2.542 20 10 FFCDMM COC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278310015 510988506 /nfs/dbraw/zinc/98/85/06/510988506.db2.gz WRFCVVPIIVCVHB-OAHLLOKOSA-N -1 1 360.366 2.655 20 10 FFCDMM CC(C)(C)OC(=O)C1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000297672207 511029160 /nfs/dbraw/zinc/02/91/60/511029160.db2.gz ZXCFQPUUYGCLPR-UHFFFAOYSA-N -1 1 353.390 2.867 20 10 FFCDMM C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295263419 511342662 /nfs/dbraw/zinc/34/26/62/511342662.db2.gz HSZGKLSKNRHGJY-LBPRGKRZSA-N -1 1 359.401 2.587 20 10 FFCDMM C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295263408 511342710 /nfs/dbraw/zinc/34/27/10/511342710.db2.gz HSZGKLSKNRHGJY-GFCCVEGCSA-N -1 1 359.401 2.587 20 10 FFCDMM CN(Cc1ccc(N2CCOCC2)cc1)Cc1ccc(C(=O)[O-])cc1F ZINC000833695156 604751386 /nfs/dbraw/zinc/75/13/86/604751386.db2.gz JCVDWNWPOPVJLI-UHFFFAOYSA-N -1 1 358.413 2.993 20 10 FFCDMM CC(=O)Nc1ccc(F)c([N-]S(=O)(=O)c2cccc3nsnc32)c1 ZINC000044260093 727984697 /nfs/dbraw/zinc/98/46/97/727984697.db2.gz HTQIZUIOVTYVLI-UHFFFAOYSA-N -1 1 366.399 2.590 20 10 FFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@H]1C(=O)OC(C)(C)C ZINC000863939225 730816888 /nfs/dbraw/zinc/81/68/88/730816888.db2.gz ZCGNRXDYDLUGHT-GHMZBOCLSA-N -1 1 353.390 2.677 20 10 FFCDMM CCO[C@@H]1COCC[C@@H]1CC(=O)NCc1cccc(Br)c1[O-] ZINC000867831315 731231721 /nfs/dbraw/zinc/23/17/21/731231721.db2.gz UTDFYTXNCFWGIM-BXUZGUMPSA-N -1 1 372.259 2.603 20 10 FFCDMM COCc1ncc2c(n1)CCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C2 ZINC000879107865 732647695 /nfs/dbraw/zinc/64/76/95/732647695.db2.gz VEVXBWSQCHWUPG-UHFFFAOYSA-N -1 1 361.829 2.743 20 10 FFCDMM COC(=O)[C@@H]1C[C@H](OC)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781922348 738673534 /nfs/dbraw/zinc/67/35/34/738673534.db2.gz XRDVAIPUPMHKCD-OCCSQVGLSA-N -1 1 372.259 2.616 20 10 FFCDMM COC(=O)[C@H]1C[C@H](OC)CCN1Cc1cc(C)cc(Br)c1[O-] ZINC000781922351 738673634 /nfs/dbraw/zinc/67/36/34/738673634.db2.gz XRDVAIPUPMHKCD-TZMCWYRMSA-N -1 1 372.259 2.616 20 10 FFCDMM O=C(Cc1cccc(Br)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783354674 738801526 /nfs/dbraw/zinc/80/15/26/738801526.db2.gz FCCUTQNURNIZRG-UHFFFAOYSA-N -1 1 365.179 2.829 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(F)cc(N2CCOCC2)c1 ZINC000890760836 734336637 /nfs/dbraw/zinc/33/66/37/734336637.db2.gz ALHQBDUGFMXXQZ-UHFFFAOYSA-N -1 1 364.804 2.951 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc(F)ccc1N1CCOCC1 ZINC000890760732 734336700 /nfs/dbraw/zinc/33/67/00/734336700.db2.gz YBUAXVCIJSYQII-UHFFFAOYSA-N -1 1 364.804 2.951 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1nnn(C2CC2)c1C(F)(F)F ZINC000890760326 734336845 /nfs/dbraw/zinc/33/68/45/734336845.db2.gz OMZMCWLCUVTHSZ-UHFFFAOYSA-N -1 1 360.723 2.921 20 10 FFCDMM CNC(=O)C1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708211649 734362862 /nfs/dbraw/zinc/36/28/62/734362862.db2.gz OBRQLZPGRDNMRP-UHFFFAOYSA-N -1 1 361.667 2.766 20 10 FFCDMM Cn1c(=O)ccc2c1CCC[C@@H]2NC(=O)NCc1cccc(Cl)c1[O-] ZINC000895596180 735029464 /nfs/dbraw/zinc/02/94/64/735029464.db2.gz ZJDLXHADDPWSIA-AWEZNQCLSA-N -1 1 361.829 2.621 20 10 FFCDMM C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)NCc3cccc(Cl)c3[O-])O2)[C@H]1C ZINC000896522644 735172666 /nfs/dbraw/zinc/17/26/66/735172666.db2.gz KQAHOCFORNQFBC-MMNXLFCMSA-N -1 1 368.861 2.817 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000896581539 735175830 /nfs/dbraw/zinc/17/58/30/735175830.db2.gz ZWRGFIJOESYZLS-KOLCDFICSA-N -1 1 352.740 2.955 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCC2(CCOCC2)O1 ZINC000896710550 735180958 /nfs/dbraw/zinc/18/09/58/735180958.db2.gz FPZQGIQLWJZMPS-CYBMUJFWSA-N -1 1 354.834 2.573 20 10 FFCDMM COc1ccc(Cl)c(NC(=S)NN=c2nc(OC)cc(C)[n-]2)c1 ZINC000747653783 735578117 /nfs/dbraw/zinc/57/81/17/735578117.db2.gz GMNDHQWVZPBIJK-UHFFFAOYSA-N -1 1 353.835 2.769 20 10 FFCDMM CCC[C@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(F)c(O)cc1Cl ZINC000901963428 735880055 /nfs/dbraw/zinc/88/00/55/735880055.db2.gz SPCAQXCXCQVVAC-GFCCVEGCSA-N -1 1 353.799 2.658 20 10 FFCDMM Cc1cc(C)c(CC(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]1 ZINC000907758295 736664465 /nfs/dbraw/zinc/66/44/65/736664465.db2.gz OEWCCPPRWRADLJ-UHFFFAOYSA-N -1 1 365.227 2.731 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000761999622 736780962 /nfs/dbraw/zinc/78/09/62/736780962.db2.gz GBOVDOYPVKKYBC-UHFFFAOYSA-N -1 1 369.370 2.818 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCOC1 ZINC000764805042 737051676 /nfs/dbraw/zinc/05/16/76/737051676.db2.gz IECYKAFNQOPTCZ-ZYHUDNBSSA-N -1 1 357.248 2.769 20 10 FFCDMM CC(C)(C)n1cnc(NC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765346092 737110520 /nfs/dbraw/zinc/11/05/20/737110520.db2.gz SLOAZJYEDFSNIB-UHFFFAOYSA-N -1 1 368.235 2.823 20 10 FFCDMM CN(C)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000765734946 737150758 /nfs/dbraw/zinc/15/07/58/737150758.db2.gz ACSCITUAOGKPCL-UHFFFAOYSA-N -1 1 350.216 2.546 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc2[nH]c(=O)oc21 ZINC000765747983 737152943 /nfs/dbraw/zinc/15/29/43/737152943.db2.gz SITZRDCCTQRJAI-UHFFFAOYSA-N -1 1 363.167 2.932 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])C(=O)c1ccc(F)cc1 ZINC000765763493 737155291 /nfs/dbraw/zinc/15/52/91/737155291.db2.gz BVGSNSTXBLVACA-UHFFFAOYSA-N -1 1 352.159 2.793 20 10 FFCDMM O=C(COc1ccc(O)cc1)NCc1cccc(Br)c1[O-] ZINC000765763408 737155377 /nfs/dbraw/zinc/15/53/77/737155377.db2.gz AWVNNNOCAREJPU-UHFFFAOYSA-N -1 1 352.184 2.556 20 10 FFCDMM Cc1cscc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765926323 737172958 /nfs/dbraw/zinc/17/29/58/737172958.db2.gz LIRIZINTCPZNAM-UHFFFAOYSA-N -1 1 369.240 2.780 20 10 FFCDMM O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC000916589919 737713498 /nfs/dbraw/zinc/71/34/98/737713498.db2.gz ICTOFURIPGFSBJ-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM COc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(O)c(Cl)c1 ZINC000776748970 738229464 /nfs/dbraw/zinc/22/94/64/738229464.db2.gz RZPLPOGTEIMJMA-UHFFFAOYSA-N -1 1 358.759 2.763 20 10 FFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000777934792 738332954 /nfs/dbraw/zinc/33/29/54/738332954.db2.gz WKGGRBAKRNBSPW-UHFFFAOYSA-N -1 1 362.329 2.838 20 10 FFCDMM O=C(Cc1ccc([N+](=O)[O-])cc1Cl)OCC(=O)c1ccc([O-])c(O)c1 ZINC000785938106 739011886 /nfs/dbraw/zinc/01/18/86/739011886.db2.gz ZQIPPNSTGNGKQX-UHFFFAOYSA-N -1 1 365.725 2.628 20 10 FFCDMM COc1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])ccc1Cl ZINC000790145357 739422400 /nfs/dbraw/zinc/42/24/00/739422400.db2.gz BSNCFLJQPVTHPI-UHFFFAOYSA-N -1 1 370.814 2.678 20 10 FFCDMM CCOC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000795347275 740007437 /nfs/dbraw/zinc/00/74/37/740007437.db2.gz HGCLIFVCUUHLOU-UHFFFAOYSA-N -1 1 369.370 2.517 20 10 FFCDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2F)c(F)cc1C ZINC000795348639 740008052 /nfs/dbraw/zinc/00/80/52/740008052.db2.gz QNKUFONKTUFRSR-UHFFFAOYSA-N -1 1 371.361 2.956 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2cc(C)cc([N+](=O)[O-])c2C)ccc1O ZINC000797819911 740275864 /nfs/dbraw/zinc/27/58/64/740275864.db2.gz WBVZHKLKNCGCHL-UHFFFAOYSA-N -1 1 352.368 2.727 20 10 FFCDMM Nc1cc(NCc2cccc(Br)c2[O-])cc(CO)c1[N+](=O)[O-] ZINC000804654096 740892961 /nfs/dbraw/zinc/89/29/61/740892961.db2.gz GXHKBVLOORYYOE-UHFFFAOYSA-N -1 1 368.187 2.750 20 10 FFCDMM CCOC(=O)[C@H]1CN(Cc2cc(Cl)cc(Cl)c2[O-])CC12COC2 ZINC000824490144 743090937 /nfs/dbraw/zinc/09/09/37/743090937.db2.gz XPTLGRZNBRXVMG-GFCCVEGCSA-N -1 1 360.237 2.711 20 10 FFCDMM CCn1ccnc1[C@@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000836628862 746272326 /nfs/dbraw/zinc/27/23/26/746272326.db2.gz WUVGCOMYTPQFSI-SNVBAGLBSA-N -1 1 367.247 2.932 20 10 FFCDMM C[C@@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])[C@@H](C)O1 ZINC000840431762 747091534 /nfs/dbraw/zinc/09/15/34/747091534.db2.gz DIYZZWSGAQRZCU-CKYFFXLPSA-N -1 1 357.248 2.767 20 10 FFCDMM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(N2CCOCC2)c1 ZINC000055679109 845338021 /nfs/dbraw/zinc/33/80/21/845338021.db2.gz RITQHSHBWUMJAI-UHFFFAOYSA-N -1 1 350.415 2.772 20 10 FFCDMM O=C1N(CC2CCOCC2)CC[C@@]12CCC[N@H+]2Cc1cccc(F)c1O ZINC001276086729 1013428228 /nfs/dbraw/zinc/42/82/28/1013428228.db2.gz SYRBTBZELJBOCC-FQEVSTJZSA-N -1 1 362.445 2.525 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2cc(F)c(F)cc2[O-])CCO1 ZINC001142509073 982464902 /nfs/dbraw/zinc/46/49/02/982464902.db2.gz WDVINPIMWPHLBR-ZDUSSCGKSA-N -1 1 372.412 2.786 20 10 FFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000766047804 989461039 /nfs/dbraw/zinc/46/10/39/989461039.db2.gz LBIXMBIUSBDYJZ-UHFFFAOYSA-N -1 1 374.418 2.625 20 10 FFCDMM COC(=O)[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1C ZINC000787238219 1001679555 /nfs/dbraw/zinc/67/95/55/1001679555.db2.gz KHDPTEUNKHKVRN-ZFWWWQNUSA-N -1 1 369.417 2.712 20 10 FFCDMM COC(=O)[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@H]1C ZINC000787238219 1001679558 /nfs/dbraw/zinc/67/95/58/1001679558.db2.gz KHDPTEUNKHKVRN-ZFWWWQNUSA-N -1 1 369.417 2.712 20 10 FFCDMM CCNC(=O)CO[C@H]1CCCN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC001203582032 1002480742 /nfs/dbraw/zinc/48/07/42/1002480742.db2.gz MZPQXOHTGVHGIT-ZDUSSCGKSA-N -1 1 361.269 2.816 20 10 FFCDMM O=S(=O)([N-]c1ccc(O)c2ccccc12)c1ccc(-c2nn[nH]n2)cc1 ZINC001185599111 1003001064 /nfs/dbraw/zinc/00/10/64/1003001064.db2.gz YCTQFQZBHURDBV-UHFFFAOYSA-N -1 1 367.390 2.526 20 10 FFCDMM CNC(=O)c1ccc2cc(NCC(=O)c3ccc([O-])c(O)c3)ccc2c1 ZINC001170322975 1003111621 /nfs/dbraw/zinc/11/16/21/1003111621.db2.gz QTDNVRZSMJEOJE-UHFFFAOYSA-N -1 1 350.374 2.905 20 10 FFCDMM C[C@H](Cn1ncc2ccccc21)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000792847046 1003212162 /nfs/dbraw/zinc/21/21/62/1003212162.db2.gz RDEHQJWDWGEVMB-GFCCVEGCSA-N -1 1 354.362 2.510 20 10 FFCDMM COC(=O)CN(CCc1ccccc1)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775051125 1003419432 /nfs/dbraw/zinc/41/94/32/1003419432.db2.gz MQBWOUQPFATBAK-UHFFFAOYSA-N -1 1 374.393 2.527 20 10 FFCDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c3ccccc23)cc1 ZINC001191611980 1003906805 /nfs/dbraw/zinc/90/68/05/1003906805.db2.gz ZXOOPCDNYROHTH-UHFFFAOYSA-N -1 1 356.403 2.706 20 10 FFCDMM COC(=O)c1c[nH]c2ncc(NC(=O)c3ccc(O)c([O-])c3Cl)cc12 ZINC001193209922 1004403202 /nfs/dbraw/zinc/40/32/02/1004403202.db2.gz QZNBPVVHEKZMTQ-UHFFFAOYSA-N -1 1 361.741 2.666 20 10 FFCDMM O=C(Nc1cc(OCc2cccnc2)n[nH]1)c1ccc(O)c([O-])c1Cl ZINC001193209877 1004403243 /nfs/dbraw/zinc/40/32/43/1004403243.db2.gz OTCIFYSUHZKPPA-UHFFFAOYSA-N -1 1 360.757 2.701 20 10 FFCDMM O=C(NCc1ccn(Cc2ccccc2)n1)c1ccc(O)c([O-])c1Cl ZINC001193247091 1004418001 /nfs/dbraw/zinc/41/80/01/1004418001.db2.gz KQKVSGZZZRJHEP-UHFFFAOYSA-N -1 1 357.797 2.926 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCO[C@H]2[C@H](OCC3CC3)CC[C@@H]21 ZINC001193226143 1004428701 /nfs/dbraw/zinc/42/87/01/1004428701.db2.gz YMYOOWVZEFRZBO-DXCKQFNASA-N -1 1 367.829 2.550 20 10 FFCDMM C[C@@]12COC[C@@H]1C[N@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567102 1006448498 /nfs/dbraw/zinc/44/84/98/1006448498.db2.gz SXOGSLAEULALFA-YCRPNKLZSA-N -1 1 353.418 2.797 20 10 FFCDMM C[C@@]12COC[C@@H]1C[N@@H+](Cc1c([O-])ccc(C(=O)c3ccccc3)c1[O-])C2 ZINC000853567102 1006448502 /nfs/dbraw/zinc/44/85/02/1006448502.db2.gz SXOGSLAEULALFA-YCRPNKLZSA-N -1 1 353.418 2.797 20 10 FFCDMM CCOc1ccc(-n2c(C)cc(C(=O)COC(=O)c3cn[n-]n3)c2C)cc1 ZINC000805606674 1006905879 /nfs/dbraw/zinc/90/58/79/1006905879.db2.gz KERHXUPKJIWONK-UHFFFAOYSA-N -1 1 368.393 2.651 20 10 FFCDMM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCC[N@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001206470129 1032299763 /nfs/dbraw/zinc/29/97/63/1032299763.db2.gz BNHYCELXYGFGFY-KWQFWETISA-N -1 1 352.303 2.702 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858084537 1008298905 /nfs/dbraw/zinc/29/89/05/1008298905.db2.gz JJCCROYVPZANJA-ZDUSSCGKSA-N -1 1 358.369 2.803 20 10 FFCDMM Cc1ccc(Cl)c(CC(=O)NCC(=O)c2ccc([O-])c(O)c2)c1F ZINC001179978132 1009512958 /nfs/dbraw/zinc/51/29/58/1009512958.db2.gz VZMZRDCZLMSALX-UHFFFAOYSA-N -1 1 351.761 2.740 20 10 FFCDMM O=C1CN(Cc2cc(F)c(F)cc2[O-])CCN1Cc1cccc(F)c1 ZINC001180097385 1009551826 /nfs/dbraw/zinc/55/18/26/1009551826.db2.gz CMIXHKBGQBAOQA-UHFFFAOYSA-N -1 1 350.340 2.654 20 10 FFCDMM COc1c([O-])c(CN2CCc3nc(C4CC4)ncc3C2)ccc1[N+](=O)[O-] ZINC000862507202 1009860124 /nfs/dbraw/zinc/86/01/24/1009860124.db2.gz VQVKSYNMJKCENJ-UHFFFAOYSA-N -1 1 356.382 2.535 20 10 FFCDMM CC[C@H](C)N1CC[C@@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274706330 1011603479 /nfs/dbraw/zinc/60/34/79/1011603479.db2.gz NRQFRKGVCSFAJM-BBATYDOGSA-N -1 1 366.845 2.614 20 10 FFCDMM CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C2 ZINC000900835084 1020674060 /nfs/dbraw/zinc/67/40/60/1020674060.db2.gz RUNMAMAHMHFDAS-USWWRNFRSA-N -1 1 366.389 2.507 20 10 FFCDMM O=C(CNc1nc(Cl)nc(-c2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001159277203 1027332346 /nfs/dbraw/zinc/33/23/46/1027332346.db2.gz QHVWRBUZPWMGOW-UHFFFAOYSA-N -1 1 356.769 2.898 20 10 FFCDMM COC(=O)c1cc(Cl)c(NCC(=O)c2ccc([O-])c(O)c2)nc1C ZINC001159280599 1027334923 /nfs/dbraw/zinc/33/49/23/1027334923.db2.gz ZOLWRAPMKOGTPZ-UHFFFAOYSA-N -1 1 350.758 2.536 20 10 FFCDMM O=C(CNc1ccc(-c2ccccc2[N+](=O)[O-])nn1)c1ccc([O-])c(O)c1 ZINC001159280549 1027336312 /nfs/dbraw/zinc/33/63/12/1027336312.db2.gz XFQSNURMLQAZNA-UHFFFAOYSA-N -1 1 366.333 2.758 20 10 FFCDMM C[C@H]1CN(C(=O)c2cc3cc(O)c([O-])cc3oc2=O)Cc2ccccc21 ZINC001155224398 1028631392 /nfs/dbraw/zinc/63/13/92/1028631392.db2.gz QKGAJFCXKUTPLA-NSHDSACASA-N -1 1 351.358 2.964 20 10 FFCDMM O=C(Nc1ccc2oc(=O)ccc2c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155231884 1028638539 /nfs/dbraw/zinc/63/85/39/1028638539.db2.gz LXCFIVCWWVTUKG-UHFFFAOYSA-N -1 1 365.297 2.563 20 10 FFCDMM C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782784170 1029819373 /nfs/dbraw/zinc/81/93/73/1029819373.db2.gz SRUGSKDRRAKWPQ-NHYWBVRUSA-N -1 1 369.373 2.732 20 10 FFCDMM O=C(COC(=O)c1ccc2[nH]c(C(F)F)nc2c1)c1ccc([O-])c(O)c1 ZINC000783657701 1030213134 /nfs/dbraw/zinc/21/31/34/1030213134.db2.gz YMHHYWLZRRPIHG-UHFFFAOYSA-N -1 1 362.288 2.951 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)ccc1O ZINC000797820402 1031218922 /nfs/dbraw/zinc/21/89/22/1031218922.db2.gz WFDZABRARRYCSJ-UHFFFAOYSA-N -1 1 370.386 2.921 20 10 FFCDMM CCC[C@H](NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)c1nn[n-]n1 ZINC000829802115 1033345751 /nfs/dbraw/zinc/34/57/51/1033345751.db2.gz XTSOMHUSLSYOBU-KRWDZBQOSA-N -1 1 352.442 2.807 20 10 FFCDMM CCOCCN1C[C@]2(CC1=O)CCCCN2Cc1ccc(F)c(F)c1[O-] ZINC001276945856 1033715962 /nfs/dbraw/zinc/71/59/62/1033715962.db2.gz UVLBPWACOJZCBF-LJQANCHMSA-N -1 1 368.424 2.664 20 10 FFCDMM O=C(NC1CCN(Cc2c(F)ccc(F)c2[O-])CC1)N1CCCCC1 ZINC001139687624 1035198004 /nfs/dbraw/zinc/19/80/04/1035198004.db2.gz PMZUMGZQAURIOK-UHFFFAOYSA-N -1 1 353.413 2.830 20 10 FFCDMM CCCOC(=O)[C@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228114586 1035941390 /nfs/dbraw/zinc/94/13/90/1035941390.db2.gz IMJFOLWACQMCJN-NSHDSACASA-N -1 1 360.362 2.755 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@H](C(C)=O)C2)c1 ZINC001233308055 1036514077 /nfs/dbraw/zinc/51/40/77/1036514077.db2.gz ANXJFYKLIBBEEL-LLVKDONJSA-N -1 1 370.243 2.742 20 10 FFCDMM C[C@@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1ncccn1 ZINC001229197875 1036548563 /nfs/dbraw/zinc/54/85/63/1036548563.db2.gz RGOVHYHTMDJGQI-SNVBAGLBSA-N -1 1 362.341 2.803 20 10 FFCDMM CC(C)CN1C(=O)COCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001277831546 1036917767 /nfs/dbraw/zinc/91/77/67/1036917767.db2.gz YQIMDMMTAWPXHG-UHFFFAOYSA-N -1 1 373.280 2.768 20 10 FFCDMM COC(=O)[C@H]1C[C@@H](Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229829649 1036923379 /nfs/dbraw/zinc/92/33/79/1036923379.db2.gz WWPMLVCMYHNBHS-TXEJJXNPSA-N -1 1 366.369 2.806 20 10 FFCDMM C=CC(=O)OC[C@@H](C)Oc1c(C)c([O-])cc2c1C(=O)c1ccccc1C2=O ZINC001229828974 1036923579 /nfs/dbraw/zinc/92/35/79/1036923579.db2.gz KFQZOMBCHBVPMD-LLVKDONJSA-N -1 1 366.369 2.973 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CCN(c2cc(C)nc(Cl)n2)C1 ZINC001234476928 1037053233 /nfs/dbraw/zinc/05/32/33/1037053233.db2.gz PTDBWMZVWHQBMD-LLVKDONJSA-N -1 1 363.801 2.710 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]12 ZINC001234477667 1037054320 /nfs/dbraw/zinc/05/43/20/1037054320.db2.gz VJEQMWIGPOLABL-PVXIVEMSSA-N -1 1 363.410 2.935 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@H](Oc2ncccn2)C1 ZINC001235075052 1037344877 /nfs/dbraw/zinc/34/48/77/1037344877.db2.gz IQDUPCQEFGWYPG-LBPRGKRZSA-N -1 1 368.206 2.737 20 10 FFCDMM COc1ncnc2c1CCN(Cc1cc(C)cc(Br)c1[O-])C2 ZINC001236665593 1038181522 /nfs/dbraw/zinc/18/15/22/1038181522.db2.gz LBAGLPMIYPMIHY-UHFFFAOYSA-N -1 1 364.243 2.820 20 10 FFCDMM Cc1cc(Br)c(O)c(C[N@H+]2CC[C@H](Oc3ncccn3)C2)c1 ZINC001236671730 1038184823 /nfs/dbraw/zinc/18/48/23/1038184823.db2.gz WPFITEVZHMIWAU-ZDUSSCGKSA-N -1 1 364.243 2.906 20 10 FFCDMM CCOC(=O)c1ncn2c1CN(Cc1c([O-])ccc(F)c1Cl)CC2 ZINC001237124709 1038450536 /nfs/dbraw/zinc/45/05/36/1038450536.db2.gz RRCBJELKFYBOER-UHFFFAOYSA-N -1 1 353.781 2.574 20 10 FFCDMM Cc1nnc2cc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3[O-])ccn12 ZINC001251394803 1039108585 /nfs/dbraw/zinc/10/85/85/1039108585.db2.gz ULQVDTCGFPPQHI-UHFFFAOYSA-N -1 1 373.221 2.851 20 10 FFCDMM O=S(=O)(Nc1cc(F)c([O-])c(F)c1)c1ccc(-n2cccn2)cc1 ZINC001259369666 1039947873 /nfs/dbraw/zinc/94/78/73/1039947873.db2.gz NNBMMOUHRMJNQR-UHFFFAOYSA-N -1 1 351.334 2.657 20 10 FFCDMM O=S(=O)([N-]c1cc2ocnc2cc1Cl)c1cccc2nonc21 ZINC001260441651 1040592888 /nfs/dbraw/zinc/59/28/88/1040592888.db2.gz UUAWADZXQAOUPG-UHFFFAOYSA-N -1 1 350.743 2.818 20 10 FFCDMM CC(=O)c1cccc(Cl)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC001260442262 1040593096 /nfs/dbraw/zinc/59/30/96/1040593096.db2.gz SYTGQLACJPKDNI-UHFFFAOYSA-N -1 1 351.771 2.880 20 10 FFCDMM CS(=O)(=O)c1ccccc1-c1noc(-c2ccc(O)c([O-])c2Cl)n1 ZINC001216951875 1042170175 /nfs/dbraw/zinc/17/01/75/1042170175.db2.gz NGKLVSVDJUFAMR-UHFFFAOYSA-N -1 1 366.782 2.872 20 10 FFCDMM CS(=O)(=O)c1ccc(-c2noc(-c3ccc(O)c([O-])c3Cl)n2)cc1 ZINC001216951296 1042170336 /nfs/dbraw/zinc/17/03/36/1042170336.db2.gz DHCFJSMYRHIUIT-UHFFFAOYSA-N -1 1 366.782 2.872 20 10 FFCDMM CC(C)[C@@H]1COCCN1Cc1cccc(I)c1[O-] ZINC001237778907 1043353058 /nfs/dbraw/zinc/35/30/58/1043353058.db2.gz CVNUSIHYLZJYFI-ZDUSSCGKSA-N -1 1 361.223 2.854 20 10 FFCDMM CC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(I)c2[O-])C1 ZINC001237783844 1043356998 /nfs/dbraw/zinc/35/69/98/1043356998.db2.gz OYSQNAXDUZFUKT-LLVKDONJSA-N -1 1 359.207 2.798 20 10 FFCDMM COc1ccc(CN2CC3(C2)CCN(C(=O)NC(C)C)C3)c([O-])c1Cl ZINC001279666263 1043431941 /nfs/dbraw/zinc/43/19/41/1043431941.db2.gz YYLYKFGMGRLJIN-UHFFFAOYSA-N -1 1 367.877 2.680 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@H](O)CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935193 1043441654 /nfs/dbraw/zinc/44/16/54/1043441654.db2.gz RCFUMVXKQYSJNO-NEPJUHHUSA-N -1 1 374.840 2.645 20 10 FFCDMM Cc1cc(CN2CC3(C2)CN(Cc2c([O-])ccc(F)c2Cl)C3)n(C)n1 ZINC001279684742 1043465948 /nfs/dbraw/zinc/46/59/48/1043465948.db2.gz RTNFIYCRRFPUHW-UHFFFAOYSA-N -1 1 364.852 2.544 20 10 FFCDMM O=C(c1n[nH]c2c1CN(Cc1c([O-])cccc1F)C2)N1CCCC12CC2 ZINC001280007362 1044078829 /nfs/dbraw/zinc/07/88/29/1044078829.db2.gz BNSROJAHTCJXCB-UHFFFAOYSA-N -1 1 356.401 2.539 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCCCC[C@@H]1c1ccco1)cc2=O ZINC000738703652 1048694163 /nfs/dbraw/zinc/69/41/63/1048694163.db2.gz QIRKOABDHBWNAE-CQSZACIVSA-N -1 1 356.382 2.843 20 10 FFCDMM C[C@@H]1CCn2cc(C(=O)NCc3cccc(Br)c3[O-])nc2C1 ZINC001297439828 1050168263 /nfs/dbraw/zinc/16/82/63/1050168263.db2.gz JVLRUMHPHWBSKE-SNVBAGLBSA-N -1 1 364.243 2.864 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1cccc(C)c1 ZINC001349002009 1055046764 /nfs/dbraw/zinc/04/67/64/1055046764.db2.gz IKGJZOFBJUCZSX-OAHLLOKOSA-N -1 1 350.426 2.545 20 10 FFCDMM CC(C)c1cnc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])s1 ZINC001338707041 1055747851 /nfs/dbraw/zinc/74/78/51/1055747851.db2.gz FFMDTNUWSVGNHR-UHFFFAOYSA-N -1 1 353.831 2.880 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3ccon3)c2)c1 ZINC001456173445 1060035074 /nfs/dbraw/zinc/03/50/74/1060035074.db2.gz DDFQZVFNYWKLMK-UHFFFAOYSA-N -1 1 373.390 2.671 20 10 FFCDMM O=[N+]([O-])c1ccccc1CS(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001464790069 1062823989 /nfs/dbraw/zinc/82/39/89/1062823989.db2.gz QUKWOPLXBFIQKR-UHFFFAOYSA-N -1 1 356.787 2.573 20 10 FFCDMM CN(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])c1cccc2cccnc21 ZINC001467396147 1063733584 /nfs/dbraw/zinc/73/35/84/1063733584.db2.gz XSENWOWPKFLEAZ-UHFFFAOYSA-N -1 1 371.418 2.589 20 10 FFCDMM CC(=O)N/C(=C/c1cccs1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001472316848 1065012754 /nfs/dbraw/zinc/01/27/54/1065012754.db2.gz JOFMEQJAJOVXGD-RIYZIHGNSA-N -1 1 350.827 2.901 20 10 FFCDMM CC(C)(C)OC(=O)N1CC2(C[C@@H]2C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001558757498 1076070398 /nfs/dbraw/zinc/07/03/98/1076070398.db2.gz HHUGQIQZFKXXIZ-GFCCVEGCSA-N -1 1 366.845 2.919 20 10 FFCDMM C[C@H](Nc1ccc(OC2COC2)cc1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589980913 1080919935 /nfs/dbraw/zinc/91/99/35/1080919935.db2.gz IMXRVGIIONYSHS-NSHDSACASA-N -1 1 353.382 2.523 20 10 FFCDMM O=C(CCc1cnccn1)N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000373538550 512385138 /nfs/dbraw/zinc/38/51/38/512385138.db2.gz OJFBRCRYSKZWPK-QGZVFWFLSA-N -1 1 374.872 2.549 20 10 FFCDMM CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@@H]2CCO[C@H]21 ZINC000277481219 510963241 /nfs/dbraw/zinc/96/32/41/510963241.db2.gz PQRDWTOOBRTYEF-ZLKJLUDKSA-N -1 1 369.259 2.767 20 10 FFCDMM COc1c([O-])c(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000278467041 510993469 /nfs/dbraw/zinc/99/34/69/510993469.db2.gz GJXXJWRDANIACW-ZDUSSCGKSA-N -1 1 352.774 2.786 20 10 FFCDMM COCCO[C@@H]1C[C@@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750707 511005624 /nfs/dbraw/zinc/00/56/24/511005624.db2.gz SDXWIMXZGJCXSU-BXUZGUMPSA-N -1 1 364.269 2.545 20 10 FFCDMM Cc1cc(Br)cc(C[N@H+]2CCC[C@]3(CNC(=O)O3)C2)c1O ZINC000364881732 511131321 /nfs/dbraw/zinc/13/13/21/511131321.db2.gz AREXGUPFCQNPRX-HNNXBMFYSA-N -1 1 355.232 2.538 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000296378973 511719839 /nfs/dbraw/zinc/71/98/39/511719839.db2.gz SZPDXEYMPBFVRB-GFCCVEGCSA-N -1 1 359.401 2.790 20 10 FFCDMM Cc1nc([C@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000832996760 602138180 /nfs/dbraw/zinc/13/81/80/602138180.db2.gz DVMIYJIFRHKUQC-IYNGYCSASA-N -1 1 357.370 2.503 20 10 FFCDMM Cc1nnc([C@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000832996760 602138182 /nfs/dbraw/zinc/13/81/82/602138182.db2.gz DVMIYJIFRHKUQC-IYNGYCSASA-N -1 1 357.370 2.503 20 10 FFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)OCCO2 ZINC000743259921 735286056 /nfs/dbraw/zinc/28/60/56/735286056.db2.gz QEARFGRXTNNAJK-UHFFFAOYSA-N -1 1 355.799 2.926 20 10 FFCDMM CC(C)(C)c1cnc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])s1 ZINC000743738771 735317861 /nfs/dbraw/zinc/31/78/61/735317861.db2.gz DZFSMXPKWYXVMD-UHFFFAOYSA-N -1 1 369.468 2.770 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1cccc(F)c1[N+](=O)[O-] ZINC000115592741 728566472 /nfs/dbraw/zinc/56/64/72/728566472.db2.gz ZDOFEYUGHOCZCV-UHFFFAOYSA-N -1 1 367.402 2.587 20 10 FFCDMM CCN(Cc1cc(Br)ccc1O)C(=O)c1ncccc1[O-] ZINC000124455002 728670665 /nfs/dbraw/zinc/67/06/65/728670665.db2.gz ZPLCXZNKIGONML-UHFFFAOYSA-N -1 1 351.200 2.918 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1C ZINC000857224955 730386081 /nfs/dbraw/zinc/38/60/81/730386081.db2.gz BEPDUUZCILLQJP-UHFFFAOYSA-N -1 1 366.395 2.864 20 10 FFCDMM CS(=O)(=O)c1ccc([C@@H]2CN(Cc3cccc(F)c3[O-])CCO2)cc1 ZINC000862439258 730702525 /nfs/dbraw/zinc/70/25/25/730702525.db2.gz RISIDBBOEKKYJF-KRWDZBQOSA-N -1 1 365.426 2.508 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccn(C2CC2)c1=O ZINC000867831369 731231690 /nfs/dbraw/zinc/23/16/90/731231690.db2.gz XMBUUUAFCHCRDI-UHFFFAOYSA-N -1 1 363.211 2.581 20 10 FFCDMM O=S(=O)(Nc1ccccc1O[C@@H]1CCOC1)c1cc(F)cc(F)c1[O-] ZINC000872358441 731755458 /nfs/dbraw/zinc/75/54/58/731755458.db2.gz UBEWYOVPBAZGBP-LLVKDONJSA-N -1 1 371.361 2.639 20 10 FFCDMM Cn1cc([C@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000874048113 732001491 /nfs/dbraw/zinc/00/14/91/732001491.db2.gz KEEOTEDDCNGVLZ-CMPLNLGQSA-N -1 1 367.808 2.609 20 10 FFCDMM O=C1N[C@@H](c2c([O-])cccc2Br)N2CCc3ccccc3[C@H]12 ZINC000877857020 732445831 /nfs/dbraw/zinc/44/58/31/732445831.db2.gz KJCHIQHYCXBKBB-HZPDHXFCSA-N -1 1 359.223 2.883 20 10 FFCDMM O=C(CSc1ccc(F)c(F)c1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782539392 738732329 /nfs/dbraw/zinc/73/23/29/738732329.db2.gz BKZVXWASSBNZFK-UHFFFAOYSA-N -1 1 354.330 2.894 20 10 FFCDMM CCCCc1ccc([C@H](NC=C2C(=O)[N-]C(=S)NC2=O)C(C)C)cc1 ZINC000730985866 734660639 /nfs/dbraw/zinc/66/06/39/734660639.db2.gz ZCHYJCLOEDPCMQ-MRXNPFEDSA-N -1 1 359.495 2.731 20 10 FFCDMM O=C(COC(=O)c1ccc(Br)c([O-])c1)c1ccc(O)c(O)c1 ZINC000784324479 738879264 /nfs/dbraw/zinc/87/92/64/738879264.db2.gz PYBKSRDFTYRMQZ-UHFFFAOYSA-N -1 1 367.151 2.606 20 10 FFCDMM COc1ccc(C(F)(F)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784365097 738883571 /nfs/dbraw/zinc/88/35/71/738883571.db2.gz DAMJNGWLSVUHHD-UHFFFAOYSA-N -1 1 352.289 2.624 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCCN1CC(F)(F)F ZINC000896663010 735178916 /nfs/dbraw/zinc/17/89/16/735178916.db2.gz FAONTRJMMUSXGE-LLVKDONJSA-N -1 1 365.783 2.872 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1Cl ZINC000749772160 735746915 /nfs/dbraw/zinc/74/69/15/735746915.db2.gz FEWJBEXANIKOAI-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1cc(F)c(O)cc1Cl ZINC000901963429 735880194 /nfs/dbraw/zinc/88/01/94/735880194.db2.gz SPCAQXCXCQVVAC-LBPRGKRZSA-N -1 1 353.799 2.658 20 10 FFCDMM C[C@@H]1C[C@H](O)CN1Cc1cc(Br)cc(Br)c1[O-] ZINC000788270270 739226160 /nfs/dbraw/zinc/22/61/60/739226160.db2.gz QTAHOWZKDSDAGT-XCBNKYQSSA-N -1 1 365.065 2.872 20 10 FFCDMM CO[C@@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C1(C)C ZINC000764788774 737050118 /nfs/dbraw/zinc/05/01/18/737050118.db2.gz BUFNQUXCCPTRFA-VXGBXAGGSA-N -1 1 357.248 2.767 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000764804445 737051446 /nfs/dbraw/zinc/05/14/46/737051446.db2.gz IECYKAFNQOPTCZ-PWSUYJOCSA-N -1 1 357.248 2.769 20 10 FFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])nnc1C ZINC000765293547 737105605 /nfs/dbraw/zinc/10/56/05/737105605.db2.gz LAQKSWCSQQSLDU-UHFFFAOYSA-N -1 1 351.204 2.883 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1n[nH]c(=O)c2ccccc21 ZINC000765753115 737154273 /nfs/dbraw/zinc/15/42/73/737154273.db2.gz NMKHZSAPOFCSFE-UHFFFAOYSA-N -1 1 374.194 2.734 20 10 FFCDMM Cc1cccc(NC(=O)C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765904398 737171646 /nfs/dbraw/zinc/17/16/46/737171646.db2.gz SXMCOFVNDQEOQD-UHFFFAOYSA-N -1 1 363.211 2.718 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1F ZINC000773252355 737885288 /nfs/dbraw/zinc/88/52/88/737885288.db2.gz PXRYHLJEEJHGOR-UHFFFAOYSA-N -1 1 359.762 2.772 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2ccccc2C(F)(F)F)C(=O)[N-]C1=S ZINC000920974261 737937386 /nfs/dbraw/zinc/93/73/86/737937386.db2.gz GPZDBYXIWUPPAJ-JXMROGBWSA-N -1 1 371.384 2.901 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1Cl ZINC000776748371 738228941 /nfs/dbraw/zinc/22/89/41/738228941.db2.gz DRORQWJJMFWABG-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM O=C(COC(=O)c1cc([N+](=O)[O-])cc(Cl)c1F)c1ccc([O-])c(O)c1 ZINC000784683546 738912287 /nfs/dbraw/zinc/91/22/87/738912287.db2.gz CVWPQSJTKRRCDR-UHFFFAOYSA-N -1 1 369.688 2.838 20 10 FFCDMM O=C(N[C@@H]1CCN(c2cccc(Cl)c2)C1)c1c([O-])c(O)ccc1F ZINC000789993526 739403428 /nfs/dbraw/zinc/40/34/28/739403428.db2.gz YTMJBEWKDLGXEJ-LLVKDONJSA-N -1 1 350.777 2.899 20 10 FFCDMM COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC000792701937 739695325 /nfs/dbraw/zinc/69/53/25/739695325.db2.gz ICHVEBXGTLFKDX-UHFFFAOYSA-N -1 1 369.420 2.622 20 10 FFCDMM CCOC(=O)c1cc(COC)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000793349710 739771149 /nfs/dbraw/zinc/77/11/49/739771149.db2.gz SQJZKUOCKUZTDR-UHFFFAOYSA-N -1 1 365.407 2.516 20 10 FFCDMM C[C@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000798083943 740302806 /nfs/dbraw/zinc/30/28/06/740302806.db2.gz LPLCYRLRKGTGPH-SNVBAGLBSA-N -1 1 352.793 2.907 20 10 FFCDMM CN(CCCN(C)C(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000839872543 746949515 /nfs/dbraw/zinc/94/95/15/746949515.db2.gz GZXDOTFKCDPCLE-UHFFFAOYSA-N -1 1 356.394 2.566 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@H](C)NCc2nccc(C(F)(F)F)n2)c1 ZINC000840868618 747207580 /nfs/dbraw/zinc/20/75/80/747207580.db2.gz CIWHZFWRKAINHI-VIFPVBQESA-N -1 1 355.316 2.838 20 10 FFCDMM C[C@H](C[C@H](C)NC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000844145682 747978190 /nfs/dbraw/zinc/97/81/90/747978190.db2.gz CDSOJWKKXWULAP-VHSXEESVSA-N -1 1 356.394 2.659 20 10 FFCDMM COc1c([O-])c(CN[C@@H](C[C@@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848927275 749036380 /nfs/dbraw/zinc/03/63/80/749036380.db2.gz DSIBTBMIJSWCAB-JQWIXIFHSA-N -1 1 364.320 2.899 20 10 FFCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@@H](N3CCCC3)C2)c1[O-] ZINC000728197501 959394761 /nfs/dbraw/zinc/39/47/61/959394761.db2.gz ZCLAMPOBCMOEAT-QGZVFWFLSA-N -1 1 366.461 2.999 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H](N3CCCC3)C2)c1[O-] ZINC000728197501 959394779 /nfs/dbraw/zinc/39/47/79/959394779.db2.gz ZCLAMPOBCMOEAT-QGZVFWFLSA-N -1 1 366.461 2.999 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H](N3CCCC3)C2)c1[O-] ZINC000728197501 959394793 /nfs/dbraw/zinc/39/47/93/959394793.db2.gz ZCLAMPOBCMOEAT-QGZVFWFLSA-N -1 1 366.461 2.999 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCN1C(=O)c1ccccc1O ZINC000890759367 960323019 /nfs/dbraw/zinc/32/30/19/960323019.db2.gz KIISETOCIXKDFT-HNNXBMFYSA-N -1 1 374.824 2.672 20 10 FFCDMM CCC[C@H](NC(=O)c1cc(C)n(-c2ccc(OC)cc2)c1C)c1nn[n-]n1 ZINC000176784594 967578543 /nfs/dbraw/zinc/57/85/43/967578543.db2.gz KTVMOPIOSHQSBA-KRWDZBQOSA-N -1 1 368.441 2.887 20 10 FFCDMM Cc1cc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC000910240392 981864789 /nfs/dbraw/zinc/86/47/89/981864789.db2.gz OWVCUXQZXSMXRH-QGZVFWFLSA-N -1 1 369.465 2.507 20 10 FFCDMM Cc1cc(CNC(=O)CN2CCC[C@@H](C(=O)[O-])C2)c(C)n1-c1ccccc1 ZINC000910240392 981864795 /nfs/dbraw/zinc/86/47/95/981864795.db2.gz OWVCUXQZXSMXRH-QGZVFWFLSA-N -1 1 369.465 2.507 20 10 FFCDMM COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cc(F)c(F)cc1[O-] ZINC001142509119 982465491 /nfs/dbraw/zinc/46/54/91/982465491.db2.gz XKKFPQSWKNTKCE-ZDUSSCGKSA-N -1 1 372.412 2.738 20 10 FFCDMM Cc1cc(C(=O)NCCCc2nc(=O)[n-][nH]2)c(C)n1-c1cccc(Cl)c1 ZINC000174587041 986251386 /nfs/dbraw/zinc/25/13/86/986251386.db2.gz NYYIQTNJFOIDRV-UHFFFAOYSA-N -1 1 373.844 2.522 20 10 FFCDMM CC(C)[C@H]1CN(Cc2cccc(I)c2[O-])CCO1 ZINC001237783573 992715197 /nfs/dbraw/zinc/71/51/97/992715197.db2.gz MDAYALORSAWITC-CYBMUJFWSA-N -1 1 361.223 2.854 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]1/C=C\c1ccccc1)cc2=O ZINC000846257255 1000247348 /nfs/dbraw/zinc/24/73/48/1000247348.db2.gz NYMOROYEYIPNLP-HLRDLLSLSA-N -1 1 364.405 2.811 20 10 FFCDMM COc1c([O-])c(CN2CCc3c(cccc3[N+](=O)[O-])C2)ccc1[N+](=O)[O-] ZINC000774883713 1002957137 /nfs/dbraw/zinc/95/71/37/1002957137.db2.gz IVHROSZONFULAR-UHFFFAOYSA-N -1 1 359.338 2.776 20 10 FFCDMM Cc1ncccc1Oc1ncnc(NCC(=O)c2ccc([O-])c(O)c2)c1C ZINC001170316769 1003105881 /nfs/dbraw/zinc/10/58/81/1003105881.db2.gz NKOHLHRZAQBADD-UHFFFAOYSA-N -1 1 366.377 2.987 20 10 FFCDMM COC(=O)c1ccc(NCC(=O)c2ccc([O-])c(O)c2)c2cccnc12 ZINC001170315392 1003106656 /nfs/dbraw/zinc/10/66/56/1003106656.db2.gz WWSCLIVHGGKCJD-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM COc1nc2c(cc1C)ncc(Cl)c2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170320743 1003108872 /nfs/dbraw/zinc/10/88/72/1003108872.db2.gz LVDTWSSZGWQAFQ-UHFFFAOYSA-N -1 1 373.796 2.728 20 10 FFCDMM Cc1ccc(NCC(=O)c2ccc([O-])c(O)c2)c(CN2CCOCC2)c1 ZINC001170320815 1003109945 /nfs/dbraw/zinc/10/99/45/1003109945.db2.gz PBZCXIXBXWKTJJ-UHFFFAOYSA-N -1 1 356.422 2.533 20 10 FFCDMM COc1c([O-])c(CN[C@H](c2nccn2C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000774965815 1003157961 /nfs/dbraw/zinc/15/79/61/1003157961.db2.gz VJJKNIDJCHLINZ-INIZCTEOSA-N -1 1 368.393 2.922 20 10 FFCDMM O=S(=O)(Nc1cc(F)c([O-])cc1F)c1cncc(Br)c1 ZINC001186414377 1003315189 /nfs/dbraw/zinc/31/51/89/1003315189.db2.gz XPLBCRVDMRGHPZ-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM COc1cccc(C(C)(C)CNC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193247024 1004418116 /nfs/dbraw/zinc/41/81/16/1004418116.db2.gz IFFSSRZPIBEFCV-UHFFFAOYSA-N -1 1 350.802 2.862 20 10 FFCDMM Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC001195883152 1005068545 /nfs/dbraw/zinc/06/85/45/1005068545.db2.gz UTEZGSMXEFQADW-UHFFFAOYSA-N -1 1 356.787 2.741 20 10 FFCDMM O=C(Cc1ccc(NCc2cc(F)cc(F)c2[O-])cc1)N1CCOCC1 ZINC000882908454 1006556884 /nfs/dbraw/zinc/55/68/84/1006556884.db2.gz RLEQGPPOSWYUET-UHFFFAOYSA-N -1 1 362.376 2.684 20 10 FFCDMM COc1ccccc1N1C[C@H](C(=O)NCc2cccc(Cl)c2[O-])CC1=O ZINC001180410181 1009684785 /nfs/dbraw/zinc/68/47/85/1009684785.db2.gz LEEGCQKKUXATID-CYBMUJFWSA-N -1 1 374.824 2.724 20 10 FFCDMM CCOC(=O)Oc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000800285848 1020187919 /nfs/dbraw/zinc/18/79/19/1020187919.db2.gz DIFAOBQKNDMWSS-UHFFFAOYSA-N -1 1 360.318 2.673 20 10 FFCDMM O=C(/C=C/c1ccc(O)c(O)c1)OCc1cc(=O)oc2cc([O-])ccc12 ZINC000759588331 1024675420 /nfs/dbraw/zinc/67/54/20/1024675420.db2.gz KPXKONRTZWTBBY-QHHAFSJGSA-N -1 1 354.314 2.666 20 10 FFCDMM CSc1nc(=O)[n-]c(C)c1C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C ZINC000840557010 1027114557 /nfs/dbraw/zinc/11/45/57/1027114557.db2.gz OFXZCGFUHZOSRB-LBPRGKRZSA-N -1 1 374.510 2.948 20 10 FFCDMM CC(C)(C)OC(=O)N1CC([C@H](F)C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001159041051 1027242508 /nfs/dbraw/zinc/24/25/08/1027242508.db2.gz BAJBPNPERMAQAD-ZDUSSCGKSA-N -1 1 372.824 2.867 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001159041315 1027242767 /nfs/dbraw/zinc/24/27/67/1027242767.db2.gz HUYHSEQFNCSIAZ-TXEJJXNPSA-N -1 1 354.834 2.965 20 10 FFCDMM CCOC(=O)c1cc(Cl)nc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001159273169 1027333675 /nfs/dbraw/zinc/33/36/75/1027333675.db2.gz TUQWZZMGNNLNMD-UHFFFAOYSA-N -1 1 350.758 2.618 20 10 FFCDMM COc1ccc2nc(Cl)cc(NCC(=O)c3ccc([O-])c(O)c3)c2n1 ZINC001159279536 1027334991 /nfs/dbraw/zinc/33/49/91/1027334991.db2.gz SJNCLLALPWWFRL-UHFFFAOYSA-N -1 1 359.769 2.998 20 10 FFCDMM COc1cccc(C(=O)CCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000796002856 1028396870 /nfs/dbraw/zinc/39/68/70/1028396870.db2.gz YTJXFIQJOOQCPH-UHFFFAOYSA-N -1 1 372.373 2.886 20 10 FFCDMM CN(CCCc1ccccc1)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155225663 1028633623 /nfs/dbraw/zinc/63/36/23/1028633623.db2.gz MTPISUVMFSTOLW-UHFFFAOYSA-N -1 1 353.374 2.909 20 10 FFCDMM COc1ccc2c(c1)[C@@H](NC(=O)c1cc3cc(O)c([O-])cc3oc1=O)CC2 ZINC001155233482 1028640285 /nfs/dbraw/zinc/64/02/85/1028640285.db2.gz BLBXFLWLCFVXGQ-HNNXBMFYSA-N -1 1 367.357 2.630 20 10 FFCDMM O=C(COC(=O)c1csc(-c2ncccc2F)n1)c1ccc([O-])c(O)c1 ZINC000784487722 1030647937 /nfs/dbraw/zinc/64/79/37/1030647937.db2.gz DXNBHZZSDJAQKV-UHFFFAOYSA-N -1 1 374.349 2.795 20 10 FFCDMM Cc1cc(C)c(N2CC[C@@H](NC(=O)c3c(F)ccc(O)c3[O-])C2=O)c(C)c1 ZINC000830221372 1033521782 /nfs/dbraw/zinc/52/17/82/1033521782.db2.gz QVKJIXBPSKDUQH-CQSZACIVSA-N -1 1 372.396 2.697 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@]1(C)CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000831375734 1034057456 /nfs/dbraw/zinc/05/74/56/1034057456.db2.gz MCKXYHCAIRMSLP-GOSISDBHSA-N -1 1 368.405 2.614 20 10 FFCDMM CC(=O)[C@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc(Cl)c1[O-] ZINC001277232577 1035682080 /nfs/dbraw/zinc/68/20/80/1035682080.db2.gz URTREGWOAZVURX-DJJJIMSYSA-N -1 1 364.873 2.980 20 10 FFCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1cnccn1 ZINC001228111224 1035938619 /nfs/dbraw/zinc/93/86/19/1035938619.db2.gz TZOIDYXLVVYGPU-LLVKDONJSA-N -1 1 352.346 2.964 20 10 FFCDMM CCOC(=O)C[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228112854 1035938809 /nfs/dbraw/zinc/93/88/09/1035938809.db2.gz BANQWGGSYXURNT-LLVKDONJSA-N -1 1 360.362 2.755 20 10 FFCDMM Cc1cc2n(n1)c(=O)cc(C)n2Cc1c([O-])cc(Br)cc1F ZINC001233031410 1036270411 /nfs/dbraw/zinc/27/04/11/1036270411.db2.gz CXTRHFJZMKNRGA-UHFFFAOYSA-N -1 1 366.190 2.768 20 10 FFCDMM COc1ccnc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001233079637 1036325468 /nfs/dbraw/zinc/32/54/68/1036325468.db2.gz IFYQZOOXWIZDBL-UHFFFAOYSA-N -1 1 351.353 2.512 20 10 FFCDMM CCC1(O)CCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])CC1 ZINC001233308169 1036514329 /nfs/dbraw/zinc/51/43/29/1036514329.db2.gz FPRSLDYSXSFIHD-UHFFFAOYSA-N -1 1 372.259 2.678 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@@H]1CC[C@H](C(=O)OCC)OC1 ZINC001233496815 1036661640 /nfs/dbraw/zinc/66/16/40/1036661640.db2.gz JHZUUABNQOYEFI-BDJLRTHQSA-N -1 1 352.383 2.570 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H](C(=O)OCC)C(F)(F)F ZINC001233496454 1036661884 /nfs/dbraw/zinc/66/18/84/1036661884.db2.gz VAVQXDOXNXLSGE-CYBMUJFWSA-N -1 1 350.289 2.953 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CC[C@H](C(=O)OCC)OC1 ZINC001233496819 1036662140 /nfs/dbraw/zinc/66/21/40/1036662140.db2.gz JHZUUABNQOYEFI-MEDUHNTESA-N -1 1 352.383 2.570 20 10 FFCDMM CC[C@H](C)N1C[C@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387066 1036669441 /nfs/dbraw/zinc/66/94/41/1036669441.db2.gz DTLBAQWXAKMKOQ-KPZWWZAWSA-N -1 1 370.852 2.787 20 10 FFCDMM CCN1CC[C@H](Oc2c(C)c([O-])cc3c2C(=O)c2ccccc2C3=O)C1 ZINC001229828936 1036923769 /nfs/dbraw/zinc/92/37/69/1036923769.db2.gz IOUOXVDAQJEIJA-ZDUSSCGKSA-N -1 1 351.402 2.949 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCn2c1nc1ccccc1c2=O ZINC001234475363 1037052776 /nfs/dbraw/zinc/05/27/76/1037052776.db2.gz GGFWXNMFBCRPBH-INIZCTEOSA-N -1 1 352.346 2.534 20 10 FFCDMM CCOC(=O)[C@H]1[C@@H]2CN(Cc3cc(Br)cc(F)c3[O-])C[C@@H]21 ZINC001235066570 1037340713 /nfs/dbraw/zinc/34/07/13/1037340713.db2.gz KWQUPCADQLKXPS-PJXYFTJBSA-N -1 1 358.207 2.535 20 10 FFCDMM O=C([O-])c1ccc(C[N@H+]2CC[C@@]3(CCN(c4ccsc4)C3=O)C2)c(O)c1 ZINC001231449107 1037589717 /nfs/dbraw/zinc/58/97/17/1037589717.db2.gz DYEXKYPMMPGZTJ-LJQANCHMSA-N -1 1 372.446 2.781 20 10 FFCDMM COc1cc2c(cc1OC)[C@@H](C[N@H+](C)Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231454660 1037597992 /nfs/dbraw/zinc/59/79/92/1037597992.db2.gz SZFKEDXWHPSIPS-OAHLLOKOSA-N -1 1 357.406 2.879 20 10 FFCDMM COc1cc2c(cc1OC)[C@@H](C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1[O-])C2 ZINC001231454660 1037597997 /nfs/dbraw/zinc/59/79/97/1037597997.db2.gz SZFKEDXWHPSIPS-OAHLLOKOSA-N -1 1 357.406 2.879 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)CC[C@H]1F ZINC001231565005 1037689807 /nfs/dbraw/zinc/68/98/07/1037689807.db2.gz MUYKAKIYMRHBGV-ZIAGYGMSSA-N -1 1 368.405 2.528 20 10 FFCDMM O=C([C@H]1CCCCN1Cc1cc(Cl)c(Cl)cc1[O-])N1CCOCC1 ZINC001236797258 1038276281 /nfs/dbraw/zinc/27/62/81/1038276281.db2.gz WYKSNAJMLLLQID-OAHLLOKOSA-N -1 1 373.280 2.912 20 10 FFCDMM CC(=O)c1cc(CN(C)CCC(F)(F)F)c([O-])c(CN2CCOCC2)c1 ZINC001251288473 1039051336 /nfs/dbraw/zinc/05/13/36/1039051336.db2.gz CJCCDZNMPBTURD-UHFFFAOYSA-N -1 1 374.403 2.811 20 10 FFCDMM COC(=O)c1cc(O)c(OC)cc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC001253038217 1039937744 /nfs/dbraw/zinc/93/77/44/1039937744.db2.gz NQVQMWXRLZRWEF-CMDGGOBGSA-N -1 1 363.391 2.600 20 10 FFCDMM COc1ccc(CN(C)Cc2ccon2)c([O-])c1I ZINC001248493948 1040299873 /nfs/dbraw/zinc/29/98/73/1040299873.db2.gz BOZXROUUVNTWOW-UHFFFAOYSA-N -1 1 374.178 2.625 20 10 FFCDMM O=S(=O)([N-]CCc1ccc(O)c(O)c1)c1cc(Cl)c(F)cc1F ZINC001260206095 1040460290 /nfs/dbraw/zinc/46/02/90/1040460290.db2.gz BEAKZKFGPWVPIX-UHFFFAOYSA-N -1 1 363.769 2.550 20 10 FFCDMM CN(c1c(F)ccc([O-])c1Cl)S(=O)(=O)CCc1ccc(N)cc1 ZINC001250233359 1041149831 /nfs/dbraw/zinc/14/98/31/1041149831.db2.gz NROZZHCCULTCBI-UHFFFAOYSA-N -1 1 358.822 2.776 20 10 FFCDMM CC[C@H](C)[C@@H](NC(=O)C(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC001262776539 1041849417 /nfs/dbraw/zinc/84/94/17/1041849417.db2.gz HCKJZQLVLKPZPU-QPUJVOFHSA-N -1 1 366.767 2.755 20 10 FFCDMM O=C(CCc1ccc[nH]1)N1CC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001279443070 1043118278 /nfs/dbraw/zinc/11/82/78/1043118278.db2.gz VXXUJEXCPSEAPO-UHFFFAOYSA-N -1 1 359.857 2.651 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCCCC12COC2 ZINC001237779374 1043352701 /nfs/dbraw/zinc/35/27/01/1043352701.db2.gz FQDLWLAELRYODD-UHFFFAOYSA-N -1 1 359.207 2.752 20 10 FFCDMM CC(C)[C@H]1COCCN1Cc1cccc(I)c1[O-] ZINC001237778905 1043354190 /nfs/dbraw/zinc/35/41/90/1043354190.db2.gz CVNUSIHYLZJYFI-CYBMUJFWSA-N -1 1 361.223 2.854 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCn2c(COCC3CC3)nnc2C1 ZINC001237938725 1043443253 /nfs/dbraw/zinc/44/32/53/1043443253.db2.gz NZQMCMUJAUXBCT-UHFFFAOYSA-N -1 1 366.824 2.719 20 10 FFCDMM CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(Cc3cc(F)c(Cl)cc3[O-])[C@@H]2C1 ZINC001237936573 1043443396 /nfs/dbraw/zinc/44/33/96/1043443396.db2.gz JSAAICMWJQSGPB-UXEPBGEESA-N -1 1 370.852 2.689 20 10 FFCDMM CS(=O)(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1 ZINC001326441355 1046934217 /nfs/dbraw/zinc/93/42/17/1046934217.db2.gz BZQGPSMCGPMTKI-UHFFFAOYSA-N -1 1 357.229 2.565 20 10 FFCDMM Cc1cc(C=O)c([O-])c(C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)c1 ZINC001290324756 1048016642 /nfs/dbraw/zinc/01/66/42/1048016642.db2.gz YJMJJQXFUUDQHZ-UHFFFAOYSA-N -1 1 368.433 2.622 20 10 FFCDMM CC[C@@H]1c2ccccc2CCN1Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1 ZINC000737795682 1048657365 /nfs/dbraw/zinc/65/73/65/1048657365.db2.gz JQICVODVAJVRMV-MRXNPFEDSA-N -1 1 352.394 2.643 20 10 FFCDMM CCN1CCN(c2ccc(CNc3ccc(C(=O)[O-])cn3)cc2F)CC1 ZINC000737854504 1048659178 /nfs/dbraw/zinc/65/91/78/1048659178.db2.gz UUJVJWOVPYZCIZ-UHFFFAOYSA-N -1 1 358.417 2.673 20 10 FFCDMM Cc1sc([C@@H](C)NCc2ccc(N3CC[NH+](C)CC3)cc2)nc1C(=O)[O-] ZINC001355416701 1060223356 /nfs/dbraw/zinc/22/33/56/1060223356.db2.gz LMTPHNPOSQIPNY-CYBMUJFWSA-N -1 1 374.510 2.752 20 10 FFCDMM NC(=O)CSc1ccccc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001472315890 1065010983 /nfs/dbraw/zinc/01/09/83/1065010983.db2.gz HWNIOUUMJNQEJI-UHFFFAOYSA-N -1 1 350.827 2.553 20 10 FFCDMM CCc1c[nH]c(=O)c(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC001568604984 1077102618 /nfs/dbraw/zinc/10/26/18/1077102618.db2.gz LRMIKPOFCYKRQK-UHFFFAOYSA-N -1 1 351.200 2.748 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN([C@H](C)CS(C)(=O)=O)C2CC2)c1[O-] ZINC000177170686 509915729 /nfs/dbraw/zinc/91/57/29/509915729.db2.gz LYKVYBASNPTOEH-SNVBAGLBSA-N -1 1 359.875 2.646 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cc(C)on3)CC2)c1[O-] ZINC000177235995 509953089 /nfs/dbraw/zinc/95/30/89/509953089.db2.gz FYAVRPVTBCUGAX-UHFFFAOYSA-N -1 1 363.845 2.862 20 10 FFCDMM CC(C)c1noc(CCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000277415615 510961543 /nfs/dbraw/zinc/96/15/43/510961543.db2.gz CNOSISFUVDLNPZ-UHFFFAOYSA-N -1 1 368.231 2.910 20 10 FFCDMM CC(C)(C)OC(=O)CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277491980 510964684 /nfs/dbraw/zinc/96/46/84/510964684.db2.gz QMYRIXSHDVYZAP-UHFFFAOYSA-N -1 1 373.247 2.686 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@@H]1CCC[C@H]1CCO ZINC000277850422 510974861 /nfs/dbraw/zinc/97/48/61/510974861.db2.gz ZKLFGBUVUZPYDP-GXFFZTMASA-N -1 1 357.248 2.505 20 10 FFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000295935006 511560769 /nfs/dbraw/zinc/56/07/69/511560769.db2.gz SQKOGXHRKHABFT-PWSUYJOCSA-N -1 1 368.405 2.612 20 10 FFCDMM CCc1nc([C@H]2CCCCN2Cc2ccc([N+](=O)[O-])c(OC)c2[O-])no1 ZINC000365826341 511671045 /nfs/dbraw/zinc/67/10/45/511671045.db2.gz PTQVYXJYXGFESW-CYBMUJFWSA-N -1 1 362.386 2.982 20 10 FFCDMM C[C@]1(Br)C[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000529169015 516977258 /nfs/dbraw/zinc/97/72/58/516977258.db2.gz HHRSPNPONAYVNW-PELKAZGASA-N -1 1 363.049 2.944 20 10 FFCDMM CN1CCC(N2C(=O)/C(=C/c3cccc(C(=O)[O-])c3)SC2=S)CC1 ZINC000820619938 598201148 /nfs/dbraw/zinc/20/11/48/598201148.db2.gz BBADOKQNABPXJA-UVTDQMKNSA-N -1 1 362.476 2.680 20 10 FFCDMM O=C([O-])NC[C@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000834226316 605573147 /nfs/dbraw/zinc/57/31/47/605573147.db2.gz VXZOBGRWQPBVLR-OAHLLOKOSA-N -1 1 362.430 2.675 20 10 FFCDMM O=C(C[C@@H]1CCC[C@@H](C(F)(F)F)O1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000924328846 738403355 /nfs/dbraw/zinc/40/33/55/738403355.db2.gz QQYPTLLCWMXIGK-HZMBPMFUSA-N -1 1 362.300 2.714 20 10 FFCDMM NC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c([O-])c(Cl)c2)cc1 ZINC000120439594 728611406 /nfs/dbraw/zinc/61/14/06/728611406.db2.gz IAZUCNIUCKOQPO-UHFFFAOYSA-N -1 1 361.206 2.599 20 10 FFCDMM O=C([N-]C[C@H]1CCC[N@H+](Cc2ccc(F)c(F)c2[O-])C1)C(F)(F)F ZINC000877538975 732383939 /nfs/dbraw/zinc/38/39/39/732383939.db2.gz HPZNLTUCMNSNFV-SECBINFHSA-N -1 1 352.303 2.561 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@]12CCC[C@H]1OCC2 ZINC000926416780 738613141 /nfs/dbraw/zinc/61/31/41/738613141.db2.gz FBNYHLYHDVEATD-CZUORRHYSA-N -1 1 369.259 2.913 20 10 FFCDMM CC(=O)N[C@H](CC(=O)NCc1cccc(Cl)c1[O-])c1cccs1 ZINC000890757746 734336422 /nfs/dbraw/zinc/33/64/22/734336422.db2.gz KITUPUALRUNTCG-CYBMUJFWSA-N -1 1 352.843 2.991 20 10 FFCDMM COCCN(CC(=O)NCc1cccc(Cl)c1[O-])C(=O)OC(C)(C)C ZINC000890760237 734336785 /nfs/dbraw/zinc/33/67/85/734336785.db2.gz LGWIXKIEBCEDHP-UHFFFAOYSA-N -1 1 372.849 2.545 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000895445662 735007241 /nfs/dbraw/zinc/00/72/41/735007241.db2.gz VQDQNHRLSJRNQT-WCBMZHEXSA-N -1 1 372.156 2.896 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CCC2(CCOCC2)CO1 ZINC000896428388 735158745 /nfs/dbraw/zinc/15/87/45/735158745.db2.gz LGYAUCWGJXXXFQ-AWEZNQCLSA-N -1 1 368.861 2.821 20 10 FFCDMM O=c1[nH]c2cccc(N3CCN(Cc4cccc(Cl)c4[O-])CC3)c2[nH]1 ZINC000896749884 735182327 /nfs/dbraw/zinc/18/23/27/735182327.db2.gz ZXDKAOWMYMFAPJ-UHFFFAOYSA-N -1 1 358.829 2.950 20 10 FFCDMM O=C1OCCCN1C1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000897592655 735252587 /nfs/dbraw/zinc/25/25/87/735252587.db2.gz ZBMZXFVIPHXIEP-UHFFFAOYSA-N -1 1 369.805 2.761 20 10 FFCDMM CCOC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCCOC1 ZINC000754259126 736141053 /nfs/dbraw/zinc/14/10/53/736141053.db2.gz GSKIYSBKKQNYKZ-MLGOLLRUSA-N -1 1 369.845 2.696 20 10 FFCDMM C[C@@H](NCc1nnc2n1CCC2)c1cc(Br)c(F)cc1[O-] ZINC000756389994 736327374 /nfs/dbraw/zinc/32/73/74/736327374.db2.gz FTAUZWFFMPAHOC-MRVPVSSYSA-N -1 1 355.211 2.682 20 10 FFCDMM COC(=O)[C@@H]1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000907758462 736664316 /nfs/dbraw/zinc/66/43/16/736664316.db2.gz RAFNJJNXJKIEJJ-NWDGAFQWSA-N -1 1 370.243 2.750 20 10 FFCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCO1 ZINC000764798213 737050449 /nfs/dbraw/zinc/05/04/49/737050449.db2.gz BKLAVMIRSSQLPR-QWHCGFSZSA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1c[nH]nc1-c1ccncc1 ZINC000765728564 737149517 /nfs/dbraw/zinc/14/95/17/737149517.db2.gz VVNIULIGDKCOKH-UHFFFAOYSA-N -1 1 373.210 2.870 20 10 FFCDMM C[C@H](OC[C@H]1CCCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751594 737153771 /nfs/dbraw/zinc/15/37/71/737153771.db2.gz HFCKMIAJQJSPLZ-WCQYABFASA-N -1 1 372.259 2.745 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-c2nc[nH]n2)cc1 ZINC000765754915 737154328 /nfs/dbraw/zinc/15/43/28/737154328.db2.gz YDGXKAAXBMZDOS-UHFFFAOYSA-N -1 1 373.210 2.870 20 10 FFCDMM Cc1cc(OCC(=O)OCC(=O)c2ccc([O-])c(O)c2)ccc1Cl ZINC000916590348 737713495 /nfs/dbraw/zinc/71/34/95/737713495.db2.gz QZNUSTPRKFAKLR-UHFFFAOYSA-N -1 1 350.754 2.865 20 10 FFCDMM O=C(COC(=O)c1ccccc1Br)c1ccc([O-])c(O)c1 ZINC000916590312 737713559 /nfs/dbraw/zinc/71/35/59/737713559.db2.gz NAAKASILYWWTNL-UHFFFAOYSA-N -1 1 351.152 2.900 20 10 FFCDMM O=C(NCc1ccnc(OCC(F)(F)F)c1)c1c(F)ccc(O)c1[O-] ZINC000789956375 739399579 /nfs/dbraw/zinc/39/95/79/739399579.db2.gz FFOLTOLXEUQKET-UHFFFAOYSA-N -1 1 360.263 2.503 20 10 FFCDMM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1ccc(OC(F)F)c(F)c1 ZINC000790335424 739439034 /nfs/dbraw/zinc/43/90/34/739439034.db2.gz ITRFYHIPQDYMOB-UHFFFAOYSA-N -1 1 361.297 2.957 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)CC)cc1 ZINC000790417512 739451413 /nfs/dbraw/zinc/45/14/13/739451413.db2.gz LUBXTLISOQOFQB-UHFFFAOYSA-N -1 1 369.464 2.549 20 10 FFCDMM COC(=O)c1cc(Cl)cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)c1 ZINC000797819400 740275878 /nfs/dbraw/zinc/27/58/78/740275878.db2.gz IHPUUZHNTHFYGJ-UHFFFAOYSA-N -1 1 371.798 2.642 20 10 FFCDMM O=C(NCCCO)c1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000798083618 740302693 /nfs/dbraw/zinc/30/26/93/740302693.db2.gz GQLGAQLVVFVZPO-UHFFFAOYSA-N -1 1 352.793 2.909 20 10 FFCDMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ccc([O-])c(F)c2F)c1C ZINC000830184401 745320056 /nfs/dbraw/zinc/32/00/56/745320056.db2.gz CXRGFNGQBMAKGQ-UHFFFAOYSA-N -1 1 374.365 2.593 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1 ZINC000843041075 747753654 /nfs/dbraw/zinc/75/36/54/747753654.db2.gz NIYFCDYIMGYXMD-UHFFFAOYSA-N -1 1 372.259 2.919 20 10 FFCDMM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(N3CCCC3)c2)c(F)c1 ZINC000327398825 971395277 /nfs/dbraw/zinc/39/52/77/971395277.db2.gz DVKXPEGHEWKIKB-UHFFFAOYSA-N -1 1 364.398 2.925 20 10 FFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H](C)N1C(=O)OC(C)(C)C ZINC000825822303 1014086771 /nfs/dbraw/zinc/08/67/71/1014086771.db2.gz ICFYLOVALWEVTB-GHMZBOCLSA-N -1 1 368.405 2.707 20 10 FFCDMM O=C([O-])Cn1cc(NCc2cc(Cl)cc(Br)c2O)cn1 ZINC001606340804 973775167 /nfs/dbraw/zinc/77/51/67/973775167.db2.gz CLCGZHDTZMVCHM-UHFFFAOYSA-N -1 1 360.595 2.701 20 10 FFCDMM CC1(c2nnc(-c3cccnc3)o2)CN(Cc2ccc(F)c(F)c2[O-])C1 ZINC000877644570 1014658079 /nfs/dbraw/zinc/65/80/79/1014658079.db2.gz UNWNXLYWPCVPCE-UHFFFAOYSA-N -1 1 358.348 2.889 20 10 FFCDMM COc1cc(NS(=O)(=O)c2c(Cl)cccc2C(=O)[O-])ccc1O ZINC001599444874 997992127 /nfs/dbraw/zinc/99/21/27/997992127.db2.gz IAAZSSWZQRBPQG-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM COC(=O)c1ccc(CNCc2c3cc(F)ccc3n(C)c2C(=O)[O-])o1 ZINC001598975518 998596039 /nfs/dbraw/zinc/59/60/39/998596039.db2.gz KHYPBBIUJHICIT-UHFFFAOYSA-N -1 1 360.341 2.685 20 10 FFCDMM C[C@H]1C[C@H](c2cccc(F)c2)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250331 1000244359 /nfs/dbraw/zinc/24/43/59/1000244359.db2.gz YVSAUXZVSCPGMK-MEDUHNTESA-N -1 1 370.384 2.855 20 10 FFCDMM CN1CCN(c2ccc(/C=C/c3ncc([N+](=O)[O-])cc3C(=O)[O-])cc2)CC1 ZINC000771517398 1001135343 /nfs/dbraw/zinc/13/53/43/1001135343.db2.gz GRCFZVCXNKHUJO-QPJJXVBHSA-N -1 1 368.393 2.610 20 10 FFCDMM CC(C)c1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cn1 ZINC000771586321 1001144299 /nfs/dbraw/zinc/14/42/99/1001144299.db2.gz HKSOYLUILFIHRQ-UHFFFAOYSA-N -1 1 374.422 2.999 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000789953715 1002238342 /nfs/dbraw/zinc/23/83/42/1002238342.db2.gz YRZZSKPZDHPMFA-LBPRGKRZSA-N -1 1 374.416 2.575 20 10 FFCDMM O=C(NC1CCN(C(=O)c2c([O-])c(O)ccc2F)CC1)C1CCCCC1 ZINC000789964107 1002240946 /nfs/dbraw/zinc/24/09/46/1002240946.db2.gz SVTXRTRIOOQFML-UHFFFAOYSA-N -1 1 364.417 2.538 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN(c2cccc3[nH]ccc32)CC1 ZINC001184132364 1002498123 /nfs/dbraw/zinc/49/81/23/1002498123.db2.gz UMIANCILSOAWFD-UHFFFAOYSA-N -1 1 355.369 2.681 20 10 FFCDMM O=C(CNC(=O)C1(c2ccc3ncccc3c2)CC1)c1ccc([O-])c(O)c1 ZINC001186096623 1003184335 /nfs/dbraw/zinc/18/43/35/1003184335.db2.gz AFUOMKIWIDGXSV-UHFFFAOYSA-N -1 1 362.385 2.677 20 10 FFCDMM CCc1cc(S(C)(=O)=O)ccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193229775 1004429688 /nfs/dbraw/zinc/42/96/88/1004429688.db2.gz MWMMXTTYYYTKAF-UHFFFAOYSA-N -1 1 369.826 2.969 20 10 FFCDMM CC(C)(C)OC(=O)[C@]1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1(C)C ZINC000850128259 1005788303 /nfs/dbraw/zinc/78/83/03/1005788303.db2.gz YLBKXBJQBONKTF-LJQANCHMSA-N -1 1 364.394 2.582 20 10 FFCDMM COc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC001188314110 1006508469 /nfs/dbraw/zinc/50/84/69/1006508469.db2.gz ILJADEIGLRHUSH-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM O=S(=O)([N-]Cc1cccc(O)c1O)c1cc(Cl)c(Cl)s1 ZINC001257521554 1022070456 /nfs/dbraw/zinc/07/04/56/1022070456.db2.gz UXJVQQQNRVMOGJ-UHFFFAOYSA-N -1 1 354.236 2.945 20 10 FFCDMM C[C@@H](Sc1ccccc1C(=O)NCc1cccc(Cl)c1[O-])C(N)=O ZINC001159041071 1027243239 /nfs/dbraw/zinc/24/32/39/1027243239.db2.gz BLDYXCXFCNGVEU-SNVBAGLBSA-N -1 1 364.854 2.942 20 10 FFCDMM COc1cc2cnc(NCC(=O)c3ccc([O-])c(O)c3)cc2cc1OC ZINC001159280496 1027335103 /nfs/dbraw/zinc/33/51/03/1027335103.db2.gz ULDNUJFJEXZBHT-UHFFFAOYSA-N -1 1 354.362 2.958 20 10 FFCDMM Cc1nc2sccc2c(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)n1 ZINC001155222279 1028631536 /nfs/dbraw/zinc/63/15/36/1028631536.db2.gz MREBTNFQVUJWTB-UHFFFAOYSA-N -1 1 369.358 2.770 20 10 FFCDMM CN(Cc1ccc(F)cc1F)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155226268 1028633763 /nfs/dbraw/zinc/63/37/63/1028633763.db2.gz SJNHYQQDZGIQGC-UHFFFAOYSA-N -1 1 361.300 2.755 20 10 FFCDMM Cc1cccc2c1[C@H](NC(=O)c1cc3cc(O)c([O-])cc3oc1=O)CCO2 ZINC001155233090 1028638609 /nfs/dbraw/zinc/63/86/09/1028638609.db2.gz ZNBPADHGQAPPFI-CYBMUJFWSA-N -1 1 367.357 2.766 20 10 FFCDMM Cc1nc2c(cnn2C(C)C)cc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782205265 1029609538 /nfs/dbraw/zinc/60/95/38/1029609538.db2.gz JAEYUEUFDGJEAV-UHFFFAOYSA-N -1 1 369.377 2.772 20 10 FFCDMM O=C(Cc1ccc(OC(F)(F)F)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782976768 1029870439 /nfs/dbraw/zinc/87/04/39/1029870439.db2.gz OVYUQZZZLBSPJR-UHFFFAOYSA-N -1 1 370.279 2.965 20 10 FFCDMM COCCCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000784035191 1030432938 /nfs/dbraw/zinc/43/29/38/1030432938.db2.gz UDNHJZJKRFHPNK-UHFFFAOYSA-N -1 1 360.362 2.553 20 10 FFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnc4ccnn4c3)c([O-])cc21 ZINC001204814451 1031445421 /nfs/dbraw/zinc/44/54/21/1031445421.db2.gz VUMPUAMEDSNVRF-UHFFFAOYSA-N -1 1 356.341 2.954 20 10 FFCDMM CCOC(=O)[C@H](Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O)C1CC1 ZINC001227578310 1035616316 /nfs/dbraw/zinc/61/63/16/1035616316.db2.gz SCSYGBJYTXTTPZ-LJQANCHMSA-N -1 1 366.369 2.888 20 10 FFCDMM O=C1NCCC2(CCN(Cc3c([O-])cc(Br)cc3F)CC2)O1 ZINC001233030452 1036269544 /nfs/dbraw/zinc/26/95/44/1036269544.db2.gz UIJPQHVHNZRDNM-UHFFFAOYSA-N -1 1 373.222 2.758 20 10 FFCDMM O=S(=O)(c1ccccc1)[C@@H]1CCN(Cc2c([O-])ccc(F)c2F)C1 ZINC001233335512 1036541612 /nfs/dbraw/zinc/54/16/12/1036541612.db2.gz YXRJLBJRNRIURL-CYBMUJFWSA-N -1 1 353.390 2.719 20 10 FFCDMM [O-]c1c(Br)cc(F)cc1CN1CCN(C[C@@H]2CCCO2)CC1 ZINC001235302072 1037461981 /nfs/dbraw/zinc/46/19/81/1037461981.db2.gz LUCMGQPIKMUHNC-AWEZNQCLSA-N -1 1 373.266 2.590 20 10 FFCDMM COC(=O)[C@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC12CC2 ZINC001235306964 1037465659 /nfs/dbraw/zinc/46/56/59/1037465659.db2.gz IJPKNAAJFKRCPQ-LLVKDONJSA-N -1 1 358.207 2.679 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2ccc(C(=O)[O-])cc2O)C1 ZINC001231452816 1037593007 /nfs/dbraw/zinc/59/30/07/1037593007.db2.gz GGJLLXJEGWFPEL-GOSISDBHSA-N -1 1 368.405 2.529 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@]1(F)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231566537 1037692119 /nfs/dbraw/zinc/69/21/19/1037692119.db2.gz OMMHAVCGBGNXBR-SFHVURJKSA-N -1 1 368.405 2.529 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@]1(F)CCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231566537 1037692124 /nfs/dbraw/zinc/69/21/24/1037692124.db2.gz OMMHAVCGBGNXBR-SFHVURJKSA-N -1 1 368.405 2.529 20 10 FFCDMM CCn1nnc2c1CCN(Cc1c([O-])ccc(F)c1Cl)[C@@H]2COC ZINC001237125429 1038450513 /nfs/dbraw/zinc/45/05/13/1038450513.db2.gz ZQMKYHNKXYJGKM-CYBMUJFWSA-N -1 1 354.813 2.542 20 10 FFCDMM CN(C)c1cncc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2[O-])c1 ZINC001251394602 1039108699 /nfs/dbraw/zinc/10/86/99/1039108699.db2.gz PFKZJKBMHXWDHX-UHFFFAOYSA-N -1 1 362.238 2.961 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2cccc3cnccc32)ccc1O ZINC001259156668 1039750535 /nfs/dbraw/zinc/75/05/35/1039750535.db2.gz FPYBMIDVEPELEV-UHFFFAOYSA-N -1 1 358.375 2.528 20 10 FFCDMM C[S@@](=O)Cc1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001248580879 1040330411 /nfs/dbraw/zinc/33/04/11/1040330411.db2.gz BVXZGENECPZDLL-XMMPIXPASA-N -1 1 366.870 2.924 20 10 FFCDMM [O-]c1c(I)cccc1CN1CC2(C1)CCCCO2 ZINC001237775192 1043350980 /nfs/dbraw/zinc/35/09/80/1043350980.db2.gz DTWWGCUNJBADCA-UHFFFAOYSA-N -1 1 359.207 2.752 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCc2cnccc2C1 ZINC001237778803 1043354275 /nfs/dbraw/zinc/35/42/75/1043354275.db2.gz BDPTUVIMFLBRFQ-UHFFFAOYSA-N -1 1 366.202 2.950 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(F)cc(Cl)c1[O-])CC2 ZINC001237806412 1043369554 /nfs/dbraw/zinc/36/95/54/1043369554.db2.gz VMAVDGYWAGQPIA-UHFFFAOYSA-N -1 1 367.808 2.616 20 10 FFCDMM Cc1noc(C[C@H]2C[C@H]3C[N@@H+](Cc4cc(F)cc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001237811918 1043373688 /nfs/dbraw/zinc/37/36/88/1043373688.db2.gz CZFWXRBIHKQOKU-PSOPSSQASA-N -1 1 367.808 2.708 20 10 FFCDMM CCn1nnc2c1CCN(Cc1cc(F)c(Cl)cc1[O-])[C@@H]2COC ZINC001237936754 1043443121 /nfs/dbraw/zinc/44/31/21/1043443121.db2.gz DQFIVWCMJSHAKS-CQSZACIVSA-N -1 1 354.813 2.542 20 10 FFCDMM CS(=O)(=O)c1cc(C(=O)[N-]c2c3nonc3ccc2Cl)cs1 ZINC001323708590 1045691556 /nfs/dbraw/zinc/69/15/56/1045691556.db2.gz ZAGCJGRENMSFHU-UHFFFAOYSA-N -1 1 357.800 2.594 20 10 FFCDMM O=C(CCCN1C(=O)c2ccccc2C1=O)NCc1cccc(Cl)c1[O-] ZINC001305069727 1051794587 /nfs/dbraw/zinc/79/45/87/1051794587.db2.gz MKVBMLGGERHKRI-UHFFFAOYSA-N -1 1 372.808 2.738 20 10 FFCDMM CN(CCCNC(=O)NCc1cccc(Cl)c1[O-])CC(F)(F)F ZINC001351960659 1055089375 /nfs/dbraw/zinc/08/93/75/1055089375.db2.gz KGUUBDBAZFFCLG-UHFFFAOYSA-N -1 1 353.772 2.729 20 10 FFCDMM CCc1nc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])sc1C ZINC001349360439 1055206539 /nfs/dbraw/zinc/20/65/39/1055206539.db2.gz TWUQVNXLEAAXCH-UHFFFAOYSA-N -1 1 353.831 2.628 20 10 FFCDMM CC(C)(C)OC(=O)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)C(C)(C)C ZINC000849947719 1060917727 /nfs/dbraw/zinc/91/77/27/1060917727.db2.gz NGQSINOPHIODNS-HNNXBMFYSA-N -1 1 366.410 2.828 20 10 FFCDMM COCCO[C@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001462142725 1061516988 /nfs/dbraw/zinc/51/69/88/1061516988.db2.gz DHTKQZTWICYXPI-ZDUSSCGKSA-N -1 1 362.239 2.921 20 10 FFCDMM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1[N+](=O)[O-])c1ccccc1O ZINC001464268119 1062514588 /nfs/dbraw/zinc/51/45/88/1062514588.db2.gz AIHFGLNZLJHVHW-SECBINFHSA-N -1 1 356.787 2.993 20 10 FFCDMM CCCN(Cc1ccccc1O)C(=O)NCc1ccc(-c2nn[n-]n2)s1 ZINC001577662155 1078385931 /nfs/dbraw/zinc/38/59/31/1078385931.db2.gz FMZNCFLVEWQWHA-UHFFFAOYSA-N -1 1 372.454 2.756 20 10 FFCDMM O=C(NCc1c(O)ccc2ccccc21)c1ccc(-c2nnn[n-]2)s1 ZINC001582542551 1079060374 /nfs/dbraw/zinc/06/03/74/1079060374.db2.gz JCNGXVREACDYKX-UHFFFAOYSA-N -1 1 351.391 2.717 20 10 FFCDMM O=C(NCc1c(O)ccc2ccccc21)c1ccc(-c2nn[n-]n2)s1 ZINC001582542551 1079060379 /nfs/dbraw/zinc/06/03/79/1079060379.db2.gz JCNGXVREACDYKX-UHFFFAOYSA-N -1 1 351.391 2.717 20 10 FFCDMM CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001558913013 1076100803 /nfs/dbraw/zinc/10/08/03/1076100803.db2.gz RAEGHPFHHIVIJV-LLVKDONJSA-N -1 1 360.385 2.695 20 10 FFCDMM CN(C1CCN(Cc2cc(Cl)cc(Cl)c2[O-])CC1)S(C)(=O)=O ZINC000092530190 508079462 /nfs/dbraw/zinc/07/94/62/508079462.db2.gz IJXVTGYCBRAKTB-UHFFFAOYSA-N -1 1 367.298 2.555 20 10 FFCDMM Cc1ccc2c(c1)CCCN2C(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093911510 508160612 /nfs/dbraw/zinc/16/06/12/508160612.db2.gz WBVVLGNOQYEZRD-UHFFFAOYSA-N -1 1 360.435 2.665 20 10 FFCDMM CC(=O)c1cc(F)cc(CN2CCC(OC[C@H]3CCOC3)CC2)c1O ZINC000131639071 508956423 /nfs/dbraw/zinc/95/64/23/508956423.db2.gz YUBIBMFGTOLQHU-AWEZNQCLSA-N -1 1 351.418 2.751 20 10 FFCDMM CCN(C[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1)CC(F)(F)F ZINC000276512718 510940170 /nfs/dbraw/zinc/94/01/70/510940170.db2.gz FCSDZTXXESTWID-JTQLQIEISA-N -1 1 364.339 2.583 20 10 FFCDMM Cc1nnc([C@H](C)NC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000277293154 510960965 /nfs/dbraw/zinc/96/09/65/510960965.db2.gz BNVWSAPZYBLXLH-ZETCQYMHSA-N -1 1 371.260 2.875 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NOCCC(F)(F)F ZINC000277396670 510962094 /nfs/dbraw/zinc/96/20/94/510962094.db2.gz JMXSVQDCNBJTFQ-UHFFFAOYSA-N -1 1 357.126 2.838 20 10 FFCDMM CCOC(=O)CC[C@H](C)NC(=O)NCc1cccc(Br)c1[O-] ZINC000277698755 510968531 /nfs/dbraw/zinc/96/85/31/510968531.db2.gz HPHBXMPTBRTHTJ-JTQLQIEISA-N -1 1 373.247 2.686 20 10 FFCDMM COc1c([O-])c(CN(C)CC(=O)Nc2cccc(C)c2C)ccc1[N+](=O)[O-] ZINC000278221038 510985346 /nfs/dbraw/zinc/98/53/46/510985346.db2.gz LJPPUJGBIYVKEW-UHFFFAOYSA-N -1 1 373.409 2.996 20 10 FFCDMM CC(C)C(=O)NC1CCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC1 ZINC000271038596 511065016 /nfs/dbraw/zinc/06/50/16/511065016.db2.gz HDVSAQSYPKXKBF-UHFFFAOYSA-N -1 1 355.822 2.690 20 10 FFCDMM CCOC(=O)C1([S@](C)=O)CC[NH+](Cc2cc(Cl)cc(C)c2O)CC1 ZINC000294867043 511202360 /nfs/dbraw/zinc/20/23/60/511202360.db2.gz UKOPCHXVGLAMGE-DEOSSOPVSA-N -1 1 373.902 2.630 20 10 FFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000295935003 511560518 /nfs/dbraw/zinc/56/05/18/511560518.db2.gz SQKOGXHRKHABFT-JQWIXIFHSA-N -1 1 368.405 2.612 20 10 FFCDMM CN(C)c1ccc(CN(C)c2c3ccccc3nnc2-c2nnn[n-]2)cc1 ZINC000736774213 598955595 /nfs/dbraw/zinc/95/55/95/598955595.db2.gz SIESIKALXOCIHZ-UHFFFAOYSA-N -1 1 360.425 2.512 20 10 FFCDMM CN(C)c1ccc(CN(C)c2c3ccccc3nnc2-c2nn[n-]n2)cc1 ZINC000736774213 598955596 /nfs/dbraw/zinc/95/55/96/598955596.db2.gz SIESIKALXOCIHZ-UHFFFAOYSA-N -1 1 360.425 2.512 20 10 FFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cc(C)cc(F)c2)cc1 ZINC000176692544 729117470 /nfs/dbraw/zinc/11/74/70/729117470.db2.gz NEOXPNYNWNLQLT-UHFFFAOYSA-N -1 1 372.443 2.697 20 10 FFCDMM O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cccc2c1N=S=N2 ZINC000320888747 729751649 /nfs/dbraw/zinc/75/16/49/729751649.db2.gz YIKMJYASUSQUGG-UHFFFAOYSA-N -1 1 351.365 2.618 20 10 FFCDMM CN(CC(=O)Nc1ccc2c(c1)OCCO2)Cc1cccc(Cl)c1[O-] ZINC000862542835 730708179 /nfs/dbraw/zinc/70/81/79/730708179.db2.gz BJFQCIDNRJVNSY-UHFFFAOYSA-N -1 1 362.813 2.887 20 10 FFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)cc(F)c3[O-])C2)cn1 ZINC000874048859 732001728 /nfs/dbraw/zinc/00/17/28/732001728.db2.gz DVWPXLIORFOLRB-PWSUYJOCSA-N -1 1 367.808 2.609 20 10 FFCDMM O=C1N[C@H](c2c([O-])cccc2Br)N2CCc3ccccc3[C@@H]12 ZINC000877857019 732445294 /nfs/dbraw/zinc/44/52/94/732445294.db2.gz KJCHIQHYCXBKBB-HOTGVXAUSA-N -1 1 359.223 2.883 20 10 FFCDMM O=C(COC(=O)c1csc(N2CCCCC2)n1)c1ccc([O-])c(O)c1 ZINC000885309517 733649547 /nfs/dbraw/zinc/64/95/47/733649547.db2.gz MTWPXQOXUOHKQO-UHFFFAOYSA-N -1 1 362.407 2.584 20 10 FFCDMM CCC[C@]1(C)C(=O)NCCN1Cc1cc(C)cc(Br)c1[O-] ZINC000783740759 738831598 /nfs/dbraw/zinc/83/15/98/738831598.db2.gz MJWHMSXGDPFCER-MRXNPFEDSA-N -1 1 355.276 2.954 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@H](n2ccnn2)C1 ZINC000895053646 734958103 /nfs/dbraw/zinc/95/81/03/734958103.db2.gz QJHBLZPJXONDNP-LBPRGKRZSA-N -1 1 355.211 2.722 20 10 FFCDMM CC(C)(C)OC(=O)NC1(CNC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC000896887676 735186815 /nfs/dbraw/zinc/18/68/15/735186815.db2.gz RBCOLNXNVLXFRQ-UHFFFAOYSA-N -1 1 369.849 2.902 20 10 FFCDMM O=C([O-])c1cc(NS(=O)(=O)c2cnc3ccsc3c2)ccc1O ZINC000757653839 736416419 /nfs/dbraw/zinc/41/64/19/736416419.db2.gz DJGKTTKIKAWXTF-UHFFFAOYSA-N -1 1 350.377 2.501 20 10 FFCDMM C[C@@H](Cc1ccncc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764790941 737049958 /nfs/dbraw/zinc/04/99/58/737049958.db2.gz KYDCZUXXUMNACX-NSHDSACASA-N -1 1 364.243 2.980 20 10 FFCDMM Cc1nn(CC(=O)NCc2cccc(Br)c2[O-])c(C)c1Cl ZINC000765736374 737151294 /nfs/dbraw/zinc/15/12/94/737151294.db2.gz LZJFSWCHCGIBDW-UHFFFAOYSA-N -1 1 372.650 2.938 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])C(F)(F)C1CCOCC1 ZINC000765764031 737155767 /nfs/dbraw/zinc/15/57/67/737155767.db2.gz FUOJTPXEVPGGST-UHFFFAOYSA-N -1 1 364.186 2.833 20 10 FFCDMM COC(=O)c1cc(F)c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C)c1 ZINC000769868018 737575837 /nfs/dbraw/zinc/57/58/37/737575837.db2.gz DOCANHYLRPYNBV-UHFFFAOYSA-N -1 1 353.371 2.736 20 10 FFCDMM O=C(COC(=O)c1ccc(C(F)(F)F)cc1O)c1ccc([O-])c(O)c1 ZINC000784563427 738904151 /nfs/dbraw/zinc/90/41/51/738904151.db2.gz OOEASOUDKDAUGB-UHFFFAOYSA-N -1 1 356.252 2.862 20 10 FFCDMM O=C(Cc1cc(Cl)cc2c1OCC2)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784694529 738912616 /nfs/dbraw/zinc/91/26/16/738912616.db2.gz CFRDUZGNKLDXGF-UHFFFAOYSA-N -1 1 362.765 2.655 20 10 FFCDMM COc1cc(F)c([C@@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000789979586 739401838 /nfs/dbraw/zinc/40/18/38/739401838.db2.gz SRRQQKXCAVIJOD-MRVPVSSYSA-N -1 1 353.321 2.884 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1ccnn1[C@H]1CCCOC1 ZINC000934660620 739820026 /nfs/dbraw/zinc/82/00/26/739820026.db2.gz CBQODQNISZVPAI-LBPRGKRZSA-N -1 1 350.806 2.915 20 10 FFCDMM Cc1ccsc1-c1noc(-c2cc(NS(C)(=O)=O)ccc2[O-])n1 ZINC000810315205 741407919 /nfs/dbraw/zinc/40/79/19/741407919.db2.gz YHXXWOMFPLRMLR-UHFFFAOYSA-N -1 1 351.409 2.851 20 10 FFCDMM O=[N+]([O-])c1cccc([N-]S(=O)(=O)c2cccc3nonc32)c1Cl ZINC000811831599 741564837 /nfs/dbraw/zinc/56/48/37/741564837.db2.gz FNKYANBFPMIVHD-UHFFFAOYSA-N -1 1 354.731 2.585 20 10 FFCDMM CCS[C@@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000827041033 743493321 /nfs/dbraw/zinc/49/33/21/743493321.db2.gz CKLINJNCKVVNMZ-QMMMGPOBSA-N -1 1 355.391 2.706 20 10 FFCDMM COc1c([O-])c(CN2C[C@@H](CC(F)(F)F)O[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000827785416 744977314 /nfs/dbraw/zinc/97/73/14/744977314.db2.gz BTTHZFMGPKIWTJ-GXSJLCMTSA-N -1 1 364.320 2.851 20 10 FFCDMM COc1c([O-])c(CN2C[C@H](C)O[C@@H](CC(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000827785423 744977363 /nfs/dbraw/zinc/97/73/63/744977363.db2.gz BTTHZFMGPKIWTJ-ONGXEEELSA-N -1 1 364.320 2.851 20 10 FFCDMM Cn1cc(-c2cc3c(nn2)CCN(Cc2cccc(Cl)c2[O-])C3)cn1 ZINC000828103861 745028114 /nfs/dbraw/zinc/02/81/14/745028114.db2.gz CDRSNMYZWZXQNB-UHFFFAOYSA-N -1 1 355.829 2.794 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2=O ZINC000840917584 747224642 /nfs/dbraw/zinc/22/46/42/747224642.db2.gz KUJAXTROUOWODU-UHFFFAOYSA-N -1 1 361.419 2.858 20 10 FFCDMM C[C@H](C[C@@H](C)NC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000844145670 747978634 /nfs/dbraw/zinc/97/86/34/747978634.db2.gz CDSOJWKKXWULAP-NXEZZACHSA-N -1 1 356.394 2.659 20 10 FFCDMM COc1ccc(N(C)CCN(C)C(=O)c2c(F)ccc([O-])c2F)cc1 ZINC000846442164 748480209 /nfs/dbraw/zinc/48/02/09/748480209.db2.gz KXEVKXDLXIHEGY-UHFFFAOYSA-N -1 1 350.365 2.887 20 10 FFCDMM C[C@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(Cl)c2[O-])C1=O ZINC000890758468 960319150 /nfs/dbraw/zinc/31/91/50/960319150.db2.gz ZMEMVTFEOPGCOD-GFCCVEGCSA-N -1 1 374.824 2.866 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(Cl)cc1 ZINC001175552978 1013510112 /nfs/dbraw/zinc/51/01/12/1013510112.db2.gz SDXKDSXQBHQYNA-ZDUSSCGKSA-N -1 1 370.844 2.890 20 10 FFCDMM COc1c([O-])c([C@H]2NC(C)(C)C(=O)N2CC2CCCC2)ccc1[N+](=O)[O-] ZINC000840826266 973379004 /nfs/dbraw/zinc/37/90/04/973379004.db2.gz JHCPXPCZOSXSES-INIZCTEOSA-N -1 1 363.414 2.708 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)N(C)C[C@@H](C)C(=O)[O-])C1 ZINC001592574261 978470677 /nfs/dbraw/zinc/47/06/77/978470677.db2.gz IYDHTBZTMNDSLV-OAHLLOKOSA-N -1 1 371.481 2.587 20 10 FFCDMM Cc1ccc(C2(C(=O)OCC(=O)c3ccc([O-])c(O)c3)CCOCC2)cc1 ZINC000783624431 979263131 /nfs/dbraw/zinc/26/31/31/979263131.db2.gz JQZCYXWBGKXJBP-UHFFFAOYSA-N -1 1 370.401 2.881 20 10 FFCDMM CCO[C@H]1CCC[N@H+](Cc2ccc(I)cc2O)C1 ZINC001232978376 986349513 /nfs/dbraw/zinc/34/95/13/986349513.db2.gz FCNGBKAHOZSWHO-ZDUSSCGKSA-N -1 1 361.223 2.998 20 10 FFCDMM COc1ccc2c(CC(=O)OCC(=O)c3ccc([O-])c(O)c3)coc2c1 ZINC000916594174 989839379 /nfs/dbraw/zinc/83/93/79/989839379.db2.gz XDTBUJTVGIUCIM-UHFFFAOYSA-N -1 1 356.330 2.821 20 10 FFCDMM CC[C@H](C)N1C[C@@]2(F)CN(Cc3cc(F)c(F)cc3[O-])C[C@@]2(F)C1=O ZINC001276193228 1016508990 /nfs/dbraw/zinc/50/89/90/1016508990.db2.gz WXUCSMZUXHAJNH-PZDALLCQSA-N -1 1 360.351 2.543 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1cccc(N2CCOC2=O)c1 ZINC000789963840 1002240733 /nfs/dbraw/zinc/24/07/33/1002240733.db2.gz HCJMONQLPGWBHA-JTQLQIEISA-N -1 1 360.341 2.685 20 10 FFCDMM O=C(NCc1nccn1CCCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000789992445 1002250886 /nfs/dbraw/zinc/25/08/86/1002250886.db2.gz LIXVKYUIUYLTIH-UHFFFAOYSA-N -1 1 369.396 2.996 20 10 FFCDMM O=C(NC[C@@H](O)c1ccc(C(F)(F)F)cc1)c1c([O-])c(O)ccc1F ZINC001183647665 1002334655 /nfs/dbraw/zinc/33/46/55/1002334655.db2.gz LVPJJJCUBRUTAZ-GFCCVEGCSA-N -1 1 359.275 2.719 20 10 FFCDMM COC(=O)c1cccc(C)c1S(=O)(=O)Nc1cc(F)c([O-])cc1F ZINC001197039209 1004042825 /nfs/dbraw/zinc/04/28/25/1004042825.db2.gz ACHLMAVVIGMLDN-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM C[C@@H]1CN(C(=O)c2ccccc2)CCN1C(=O)c1ccc(O)c([O-])c1Cl ZINC001193232166 1004411237 /nfs/dbraw/zinc/41/12/37/1004411237.db2.gz FTUCVVVIHVYNAQ-GFCCVEGCSA-N -1 1 374.824 2.738 20 10 FFCDMM O=C(Nc1ccccc1CN1CCOCC1)c1ccc(O)c([O-])c1Cl ZINC001193233000 1004412896 /nfs/dbraw/zinc/41/28/96/1004412896.db2.gz UAZSLBOZTVPSLJ-UHFFFAOYSA-N -1 1 362.813 2.836 20 10 FFCDMM CSc1ncc(Cl)c(CNC(=O)c2ccc(O)c([O-])c2Cl)n1 ZINC001193247293 1004417671 /nfs/dbraw/zinc/41/76/71/1004417671.db2.gz STUJJDZYKBZSDG-UHFFFAOYSA-N -1 1 360.222 2.847 20 10 FFCDMM O=C(N[C@H]1CCC(=O)N[C@H]1c1ccccc1)c1ccc(O)c([O-])c1Cl ZINC001193246976 1004418054 /nfs/dbraw/zinc/41/80/54/1004418054.db2.gz GFSSPNHACFOKJL-LRDDRELGSA-N -1 1 360.797 2.501 20 10 FFCDMM CCOC(=O)NC(=S)[N-]c1ccc2c(c1)C(=O)c1ccccc1C2=O ZINC001195449146 1004962537 /nfs/dbraw/zinc/96/25/37/1004962537.db2.gz HENNLSMUJCXFOZ-UHFFFAOYSA-N -1 1 354.387 2.905 20 10 FFCDMM COc1ccc(N2CC[C@@H](CNC(=O)c3c(F)ccc([O-])c3F)C2)cc1 ZINC000819590003 1008186742 /nfs/dbraw/zinc/18/67/42/1008186742.db2.gz HYLUCAICADGRTN-LBPRGKRZSA-N -1 1 362.376 2.935 20 10 FFCDMM COC(=O)[C@@H](NCc1ccc(Cl)cc1[O-])c1ccc(OC)c(O)c1 ZINC001181445065 1010101916 /nfs/dbraw/zinc/10/19/16/1010101916.db2.gz JSTWNPPRPLJYQT-INIZCTEOSA-N -1 1 351.786 2.764 20 10 FFCDMM CC(C)(C)OC(=O)[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H]1C1CC1 ZINC000900069880 1020168458 /nfs/dbraw/zinc/16/84/58/1020168458.db2.gz BPFSJGXTXNDDAS-NWDGAFQWSA-N -1 1 365.401 2.677 20 10 FFCDMM COc1ccc(N2CCCN(C(=O)c3ccc(C#N)c([O-])c3)CC2)cc1 ZINC000190835722 1023708615 /nfs/dbraw/zinc/70/86/15/1023708615.db2.gz CQUHUUAIOWHKGT-UHFFFAOYSA-N -1 1 351.406 2.625 20 10 FFCDMM CC(=O)c1cc(O)ccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000758774188 1024294128 /nfs/dbraw/zinc/29/41/28/1024294128.db2.gz NMVGWOXRFDGTRM-UHFFFAOYSA-N -1 1 374.418 2.522 20 10 FFCDMM COc1ccc(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)cc1 ZINC001159278922 1027331954 /nfs/dbraw/zinc/33/19/54/1027331954.db2.gz FYOROTCNLXBVDO-UHFFFAOYSA-N -1 1 351.362 2.858 20 10 FFCDMM CCCc1nc2cc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)cc(C)c2[nH]1 ZINC001153454298 1027889923 /nfs/dbraw/zinc/88/99/23/1027889923.db2.gz STQDJBZBGFGWPE-UHFFFAOYSA-N -1 1 367.405 2.848 20 10 FFCDMM COc1nc(Cl)ccc1NC(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155221601 1028630047 /nfs/dbraw/zinc/63/00/47/1028630047.db2.gz FNIXMMWPLOWKJM-UHFFFAOYSA-N -1 1 362.725 2.514 20 10 FFCDMM O=C(Nc1cccc(-c2nnco2)c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155227941 1028635094 /nfs/dbraw/zinc/63/50/94/1028635094.db2.gz HQMDGNSMKPKRRG-UHFFFAOYSA-N -1 1 365.301 2.507 20 10 FFCDMM O=C(CCCOc1ccc(F)cc1F)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783230292 1029980290 /nfs/dbraw/zinc/98/02/90/1029980290.db2.gz KGEIUDUDAAPWBB-UHFFFAOYSA-N -1 1 366.316 2.961 20 10 FFCDMM C[C@@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)c1cccc(F)c1 ZINC000783959761 1030363728 /nfs/dbraw/zinc/36/37/28/1030363728.db2.gz PYTRMLAPVMGKCD-NSHDSACASA-N -1 1 360.337 2.872 20 10 FFCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1c(F)ccc([O-])c1F ZINC000798163030 1031323923 /nfs/dbraw/zinc/32/39/23/1031323923.db2.gz GFBYASAWGBEPLG-UHFFFAOYSA-N -1 1 366.339 2.576 20 10 FFCDMM O=C(c1ccco1)N1CCC[C@@]2(CN(Cc3cccc(F)c3[O-])CCO2)C1 ZINC001138126909 1033808976 /nfs/dbraw/zinc/80/89/76/1033808976.db2.gz MKXRFVFSQLGMAI-HXUWFJFHSA-N -1 1 374.412 2.632 20 10 FFCDMM COc1ccnc(O[C@H]2CCCN(Cc3c([O-])cc(F)cc3F)C2)n1 ZINC001140585970 1035671317 /nfs/dbraw/zinc/67/13/17/1035671317.db2.gz XSNZSYIIGQXCMG-LBPRGKRZSA-N -1 1 351.353 2.512 20 10 FFCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1cnccn1 ZINC001228111226 1035938458 /nfs/dbraw/zinc/93/84/58/1035938458.db2.gz TZOIDYXLVVYGPU-NSHDSACASA-N -1 1 352.346 2.964 20 10 FFCDMM CC[C@@H](CC(=O)OC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228112921 1035939771 /nfs/dbraw/zinc/93/97/71/1035939771.db2.gz BLDLTEWHEZHITL-ZDUSSCGKSA-N -1 1 360.362 2.755 20 10 FFCDMM CCN1CC(Oc2cc([O-])cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228185007 1035978767 /nfs/dbraw/zinc/97/87/67/1035978767.db2.gz BKPSFVRBLLBFCP-QGZVFWFLSA-N -1 1 371.389 2.593 20 10 FFCDMM COc1cnc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)nc1 ZINC001233079623 1036324864 /nfs/dbraw/zinc/32/48/64/1036324864.db2.gz HPTARQQXMGYNQI-UHFFFAOYSA-N -1 1 351.353 2.512 20 10 FFCDMM O=C1c2cccc(O[C@H]3CCc4[nH+]ccn4C3)c2C(=O)c2cccc(O)c21 ZINC001229192388 1036542655 /nfs/dbraw/zinc/54/26/55/1036542655.db2.gz LCNFKXIOWJLVBP-LBPRGKRZSA-N -1 1 360.369 2.758 20 10 FFCDMM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2c([O-])ccc(F)c2F)C1 ZINC001233336527 1036543858 /nfs/dbraw/zinc/54/38/58/1036543858.db2.gz OPMXJBOFNNUPFE-NWDGAFQWSA-N -1 1 365.380 2.623 20 10 FFCDMM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277506537 1037534717 /nfs/dbraw/zinc/53/47/17/1037534717.db2.gz IPGNGHSISOROOG-AMKSKSKJSA-N -1 1 368.836 2.728 20 10 FFCDMM CCOCCN1CC[C@]2(CCCN2Cc2cc(F)cc(Cl)c2[O-])C1=O ZINC001277508191 1037541578 /nfs/dbraw/zinc/54/15/78/1037541578.db2.gz VEKDGXDUIUGJLP-GOSISDBHSA-N -1 1 370.852 2.788 20 10 FFCDMM COC(=O)N1CCC2(CC1)CC[NH+](Cc1ccc(C(=O)[O-])cc1[O-])CC2 ZINC001231445960 1037586525 /nfs/dbraw/zinc/58/65/25/1037586525.db2.gz DDTBHTQKEGQGAY-UHFFFAOYSA-N -1 1 362.426 2.535 20 10 FFCDMM CC(=O)[C@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278023377 1038334678 /nfs/dbraw/zinc/33/46/78/1038334678.db2.gz UUNVHEIQWCIJKD-VOJFVSQTSA-N -1 1 368.836 2.729 20 10 FFCDMM CN1CCN(c2cccc([N-]S(=O)(=O)c3ccc(F)cc3F)c2)CC1 ZINC001256061648 1038350589 /nfs/dbraw/zinc/35/05/89/1038350589.db2.gz CTGYFTGUOHTPAO-UHFFFAOYSA-N -1 1 367.421 2.517 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCN[C@@H](C(F)(F)F)C2)c1 ZINC001236997774 1038403199 /nfs/dbraw/zinc/40/31/99/1038403199.db2.gz VNTMDRCBXARGPH-LLVKDONJSA-N -1 1 353.182 2.799 20 10 FFCDMM O=S(=O)(Nc1cnc2ccnn2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394604 1039109357 /nfs/dbraw/zinc/10/93/57/1039109357.db2.gz PHRFAKRWOSNBHJ-UHFFFAOYSA-N -1 1 359.194 2.543 20 10 FFCDMM Cc1noc(C)c1NC(=O)N1CCC12CN(Cc1cccc(F)c1[O-])C2 ZINC001279528945 1043229051 /nfs/dbraw/zinc/22/90/51/1043229051.db2.gz KFOUDSXSGYFRLY-UHFFFAOYSA-N -1 1 360.389 2.628 20 10 FFCDMM COc1ccnc(O[C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC001237624239 1043279686 /nfs/dbraw/zinc/27/96/86/1043279686.db2.gz QQSAHDGRDAYCPA-GFCCVEGCSA-N -1 1 353.781 2.637 20 10 FFCDMM COCCOCN1CCC12CN(Cc1cc(Cl)c(Cl)cc1[O-])C2 ZINC001279665844 1043430353 /nfs/dbraw/zinc/43/03/53/1043430353.db2.gz ZHTCLKFNFLSUCB-UHFFFAOYSA-N -1 1 361.269 2.580 20 10 FFCDMM O=C([N-]C1CC[NH+](Cc2cc(F)c(Cl)cc2[O-])CC1)C(F)(F)F ZINC001237948706 1043451151 /nfs/dbraw/zinc/45/11/51/1043451151.db2.gz GZDSZJLHVNVFFZ-UHFFFAOYSA-N -1 1 354.731 2.828 20 10 FFCDMM CC(C)(C)NC(=O)[C@H]1CCSC12CN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001279736397 1043557806 /nfs/dbraw/zinc/55/78/06/1043557806.db2.gz LTSJKRRUIFAHKK-GFCCVEGCSA-N -1 1 370.465 2.893 20 10 FFCDMM CCc1nc(CNCc2ccc(N3CCOCC3)c(F)c2)ccc1C(=O)[O-] ZINC000756313826 1043578066 /nfs/dbraw/zinc/57/80/66/1043578066.db2.gz WRFNNCVKXFXBPF-UHFFFAOYSA-N -1 1 373.428 2.608 20 10 FFCDMM CN(C)c1ccc(N2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC001326473160 1046947304 /nfs/dbraw/zinc/94/73/04/1046947304.db2.gz QLOACZAADJYNDK-UHFFFAOYSA-N -1 1 373.428 2.702 20 10 FFCDMM CC(C)[C@@H](C(=O)NCc1cccc(Cl)c1[O-])N1C[C@@H](C)O[C@H](C)C1 ZINC001305069313 1051794907 /nfs/dbraw/zinc/79/49/07/1051794907.db2.gz CXDUDUZKISCHMK-IOASZLSFSA-N -1 1 354.878 2.796 20 10 FFCDMM O=C([O-])C1CC2(C1)C[C@H]([NH2+]Cc1c([O-])cccc1Br)CCO2 ZINC001334845584 1053112696 /nfs/dbraw/zinc/11/26/96/1053112696.db2.gz XOGOLNYCTAFXQT-NOEPWBJOSA-N -1 1 370.243 2.657 20 10 FFCDMM O=S(=O)([N-]Cc1c(O)cccc1F)c1cc(Cl)cnc1Cl ZINC001475706664 1061221422 /nfs/dbraw/zinc/22/14/22/1061221422.db2.gz GGVQRGMQEXVCDB-UHFFFAOYSA-N -1 1 351.186 2.712 20 10 FFCDMM COc1ccccc1C(=O)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001560942875 1076312088 /nfs/dbraw/zinc/31/20/88/1076312088.db2.gz WEUWFSATXXVUGP-UHFFFAOYSA-N -1 1 362.376 2.637 20 10 FFCDMM CC(C)(NCc1cc([N+](=O)[O-])ccc1[O-])c1cn(-c2ccccc2)nn1 ZINC000176531654 509566608 /nfs/dbraw/zinc/56/66/08/509566608.db2.gz ZPJAVYPLLCXJKK-UHFFFAOYSA-N -1 1 353.382 2.906 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(-c3cnco3)c2)c1 ZINC000363571934 511635722 /nfs/dbraw/zinc/63/57/22/511635722.db2.gz XDDPMYRVWZEPJG-UHFFFAOYSA-N -1 1 373.390 2.671 20 10 FFCDMM CN(C)c1ccc(CNc2c3ccccc3nnc2-c2nnn[n-]2)cc1F ZINC000736781347 598963807 /nfs/dbraw/zinc/96/38/07/598963807.db2.gz YKEWEOJWEFXAGU-UHFFFAOYSA-N -1 1 364.388 2.627 20 10 FFCDMM CN(C)c1ccc(CNc2c3ccccc3nnc2-c2nn[n-]n2)cc1F ZINC000736781347 598963808 /nfs/dbraw/zinc/96/38/08/598963808.db2.gz YKEWEOJWEFXAGU-UHFFFAOYSA-N -1 1 364.388 2.627 20 10 FFCDMM Cc1oc2c(ccc([O-])c2C[N@@H+](C)CC(=O)[O-])c(=O)c1-c1ccccc1 ZINC000740274734 597055025 /nfs/dbraw/zinc/05/50/25/597055025.db2.gz RSLCXNYNPXABPJ-UHFFFAOYSA-N -1 1 353.374 2.990 20 10 FFCDMM CC1CCN(c2ccc(CNc3nccnc3-c3nnn[n-]3)cc2)CC1 ZINC000736278603 598503244 /nfs/dbraw/zinc/50/32/44/598503244.db2.gz HWPKRWGSGBQLKC-UHFFFAOYSA-N -1 1 350.430 2.505 20 10 FFCDMM CC1CCN(c2ccc(CNc3nccnc3-c3nn[n-]n3)cc2)CC1 ZINC000736278603 598503245 /nfs/dbraw/zinc/50/32/45/598503245.db2.gz HWPKRWGSGBQLKC-UHFFFAOYSA-N -1 1 350.430 2.505 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000739793261 600315903 /nfs/dbraw/zinc/31/59/03/600315903.db2.gz DGGLHASEDFKHMA-MRXNPFEDSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1ccc(F)cc1F ZINC000739793261 600315906 /nfs/dbraw/zinc/31/59/06/600315906.db2.gz DGGLHASEDFKHMA-MRXNPFEDSA-N -1 1 371.767 2.944 20 10 FFCDMM Cc1nn(CCO)c(NCc2cc(Br)cc(F)c2[O-])c1C ZINC000883073904 733328454 /nfs/dbraw/zinc/32/84/54/733328454.db2.gz FOGLTOCHAAUHLJ-UHFFFAOYSA-N -1 1 358.211 2.712 20 10 FFCDMM C[C@@H](NCc1cc(Cl)cc(Br)c1[O-])c1nnnn1C1CC1 ZINC000883102197 733333694 /nfs/dbraw/zinc/33/36/94/733333694.db2.gz JHBXGNUTMJJENR-SSDOTTSWSA-N -1 1 372.654 2.980 20 10 FFCDMM O=C(OCC(=O)c1ccc([O-])c(O)c1)c1cc(Br)cs1 ZINC000783237999 738794755 /nfs/dbraw/zinc/79/47/55/738794755.db2.gz DSKCIWPZJTVQPW-UHFFFAOYSA-N -1 1 357.181 2.962 20 10 FFCDMM CC(C)(C)OC(=O)[C@@]1(C(=O)NCc2cccc(Cl)c2[O-])CCCO1 ZINC000890761807 734337300 /nfs/dbraw/zinc/33/73/00/734337300.db2.gz YSGNQVONWKYXTJ-KRWDZBQOSA-N -1 1 355.818 2.553 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C[C@@H]3CCCO3)CC2)c1[O-] ZINC000750032492 735767392 /nfs/dbraw/zinc/76/73/92/735767392.db2.gz ARZGXDDQYLZECR-INIZCTEOSA-N -1 1 352.862 2.545 20 10 FFCDMM CCOC(=O)[C@@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750035511 735767829 /nfs/dbraw/zinc/76/78/29/735767829.db2.gz FNGBLUOFKDLVBG-AWEZNQCLSA-N -1 1 357.859 2.729 20 10 FFCDMM O=C1CCCN1c1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753020700 736031789 /nfs/dbraw/zinc/03/17/89/736031789.db2.gz UPRVNXGEVBQMBE-UHFFFAOYSA-N -1 1 368.361 2.598 20 10 FFCDMM CCOC(=O)[C@@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000755192771 736241268 /nfs/dbraw/zinc/24/12/68/736241268.db2.gz POVPOYJPIDGLID-INIZCTEOSA-N -1 1 369.845 2.696 20 10 FFCDMM CO[C@@H](CNC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000764782384 737049208 /nfs/dbraw/zinc/04/92/08/737049208.db2.gz YIGRQUZWFMAUKW-VIFPVBQESA-N -1 1 371.153 2.531 20 10 FFCDMM CC1(O)CCC(NC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000764796530 737050502 /nfs/dbraw/zinc/05/05/02/737050502.db2.gz GAEIIDWTVNYICH-UHFFFAOYSA-N -1 1 357.248 2.648 20 10 FFCDMM Cc1cc(NC(=O)NCc2cccc(Br)c2[O-])c(C)cn1 ZINC000765331093 737109525 /nfs/dbraw/zinc/10/95/25/737109525.db2.gz ZMEGWQLVGVHQBM-UHFFFAOYSA-N -1 1 350.216 2.910 20 10 FFCDMM CCOc1cccnc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765727732 737149385 /nfs/dbraw/zinc/14/93/85/737149385.db2.gz OLABGWKAYUXBAY-UHFFFAOYSA-N -1 1 351.200 2.878 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnc2n1CCCC2 ZINC000765729659 737150315 /nfs/dbraw/zinc/15/03/15/737150315.db2.gz RKWMFPLBCJLQQR-UHFFFAOYSA-N -1 1 350.216 2.618 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccccc1[N+](=O)[O-] ZINC000765752864 737154306 /nfs/dbraw/zinc/15/43/06/737154306.db2.gz ZJYQZIYSOKMJHW-UHFFFAOYSA-N -1 1 351.156 2.993 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C ZINC000790411335 739449738 /nfs/dbraw/zinc/44/97/38/739449738.db2.gz KFEMEAILQZGGOS-UHFFFAOYSA-N -1 1 365.407 2.907 20 10 FFCDMM Cn1cc2c(n1)CCC[C@H]2C(=O)NCc1cccc(Br)c1[O-] ZINC000799003473 740380524 /nfs/dbraw/zinc/38/05/24/740380524.db2.gz YCMXBEIXXDGVFN-LLVKDONJSA-N -1 1 364.243 2.625 20 10 FFCDMM O=C(NCCCO)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816597914 742045670 /nfs/dbraw/zinc/04/56/70/742045670.db2.gz KHNYSXQJFABSHY-UHFFFAOYSA-N -1 1 352.793 2.909 20 10 FFCDMM CCN(CCCNC(=O)c1c(F)ccc(O)c1[O-])C(=O)OC(C)(C)C ZINC000825449956 743273169 /nfs/dbraw/zinc/27/31/69/743273169.db2.gz IPWIRCYGMOHNGX-UHFFFAOYSA-N -1 1 356.394 2.614 20 10 FFCDMM C[C@H]1CCN(C(=O)Nc2ccc(N)cc2)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000841299399 747314855 /nfs/dbraw/zinc/31/48/55/747314855.db2.gz KEMPRPBKWJJDGS-KWBADKCTSA-N -1 1 358.364 2.578 20 10 FFCDMM C[C@H]1CCn2ncc(C(=O)NCc3cccc(Br)c3[O-])c2C1 ZINC000843866092 747915263 /nfs/dbraw/zinc/91/52/63/747915263.db2.gz CXORIWBPWKCTKA-JTQLQIEISA-N -1 1 364.243 2.864 20 10 FFCDMM CO[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(Br)c1[O-] ZINC000845473689 748265797 /nfs/dbraw/zinc/26/57/97/748265797.db2.gz OYHBDHOSKBPYJL-CHWSQXEVSA-N -1 1 357.248 2.912 20 10 FFCDMM CC[C@H](C)N1C[C@]2(CC1=O)COCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001275951947 1013221210 /nfs/dbraw/zinc/22/12/10/1013221210.db2.gz REORYPRJBAHWNQ-ORAYPTAESA-N -1 1 368.424 2.520 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3cnco3)cc2)c1 ZINC000769705699 1000582112 /nfs/dbraw/zinc/58/21/12/1000582112.db2.gz MEBBYLCHYXACJN-UHFFFAOYSA-N -1 1 373.390 2.671 20 10 FFCDMM COc1ccc(C(C)(C)CC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001182438646 1001855292 /nfs/dbraw/zinc/85/52/92/1001855292.db2.gz DXRRMMAFIZHIND-UHFFFAOYSA-N -1 1 357.406 2.773 20 10 FFCDMM COc1c([O-])c(CN(C)Cc2nc3ccccc3c(=O)[nH]2)ccc1[N+](=O)[O-] ZINC000774820305 1002807338 /nfs/dbraw/zinc/80/73/38/1002807338.db2.gz IWBJTPDCKJCZIL-UHFFFAOYSA-N -1 1 370.365 2.590 20 10 FFCDMM CC(C)(C)C(=O)Nc1ccc(C(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001185852349 1003095054 /nfs/dbraw/zinc/09/50/54/1003095054.db2.gz ZUIHAMMZSBRDSL-UHFFFAOYSA-N -1 1 370.405 2.695 20 10 FFCDMM O=C(CNc1nc(Cl)ncc1Br)c1ccc([O-])c(O)c1 ZINC001170315373 1003106484 /nfs/dbraw/zinc/10/64/84/1003106484.db2.gz WLWRJUSUQFEWIL-UHFFFAOYSA-N -1 1 358.579 2.599 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2noc3ccccc32)CC1 ZINC001193208950 1004403125 /nfs/dbraw/zinc/40/31/25/1004403125.db2.gz BRZYPQQDGAIPMH-UHFFFAOYSA-N -1 1 373.796 2.855 20 10 FFCDMM CCOc1cc(C(N)=O)ccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193232824 1004411228 /nfs/dbraw/zinc/41/12/28/1004411228.db2.gz QIETXGNWNNZGSB-UHFFFAOYSA-N -1 1 350.758 2.501 20 10 FFCDMM O=C(CNC(=O)c1cc2ccccc2nc1Cl)c1ccc([O-])c(O)c1 ZINC001152412904 1032162806 /nfs/dbraw/zinc/16/28/06/1032162806.db2.gz QSRFEDJIHSPSFI-UHFFFAOYSA-N -1 1 356.765 2.912 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCSC[C@@H]2c2nn[n-]n2)cc1 ZINC000773158573 1010080788 /nfs/dbraw/zinc/08/07/88/1010080788.db2.gz APRMZBNPXOHYLW-MRXNPFEDSA-N -1 1 368.466 2.538 20 10 FFCDMM O=C(NCc1ccc(N2CCSCC2)cc1)c1cnc(C2CC2)[n-]c1=O ZINC000900254651 1020307337 /nfs/dbraw/zinc/30/73/37/1020307337.db2.gz LEILCKDSHHFNOD-UHFFFAOYSA-N -1 1 370.478 2.543 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000900703129 1020601546 /nfs/dbraw/zinc/60/15/46/1020601546.db2.gz GADBJPHQOKOWEL-LLVKDONJSA-N -1 1 368.405 2.614 20 10 FFCDMM CC(C)(C)OC(=O)N1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829639773 1033259755 /nfs/dbraw/zinc/25/97/55/1033259755.db2.gz INVQFLZHTPFHFA-LLVKDONJSA-N -1 1 368.405 2.756 20 10 FFCDMM CCOC(=O)C1CCC(CC(=O)OCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC000829694078 1033289063 /nfs/dbraw/zinc/28/90/63/1033289063.db2.gz WITHVNMGIPQPRY-UHFFFAOYSA-N -1 1 364.394 2.583 20 10 FFCDMM CC(C)c1noc(-c2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2)n1 ZINC001159280113 1027336086 /nfs/dbraw/zinc/33/60/86/1027336086.db2.gz ALADWMNKNGVTJI-UHFFFAOYSA-N -1 1 354.366 2.961 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1CCC[C@@H]1c1ccccn1 ZINC001155225780 1028633939 /nfs/dbraw/zinc/63/39/39/1028633939.db2.gz OJUXNNQVIVQSRX-CQSZACIVSA-N -1 1 352.346 2.577 20 10 FFCDMM O=C(NCCc1ccc2[nH]ccc2c1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234688 1028640202 /nfs/dbraw/zinc/64/02/02/1028640202.db2.gz STGGUHTUTDXXBH-UHFFFAOYSA-N -1 1 364.357 2.658 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1ccccc1 ZINC000782596833 1029758048 /nfs/dbraw/zinc/75/80/48/1029758048.db2.gz BSFMYFMREYZBTM-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM O=C(CCc1nnc(-c2ccsc2)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782658169 1029775758 /nfs/dbraw/zinc/77/57/58/1029775758.db2.gz HOBMFUGQNNVIBA-UHFFFAOYSA-N -1 1 374.374 2.568 20 10 FFCDMM O=C(COC(=O)c1cccc(Oc2cnccn2)c1)c1ccc([O-])c(O)c1 ZINC000783732921 1030258716 /nfs/dbraw/zinc/25/87/16/1030258716.db2.gz LQADZOQRFXDVAZ-UHFFFAOYSA-N -1 1 366.329 2.720 20 10 FFCDMM O=C(COC(=O)c1cncnc1-c1ccccc1)c1ccc([O-])c(O)c1 ZINC000784521714 1030663767 /nfs/dbraw/zinc/66/37/67/1030663767.db2.gz HLUQWXQDPHENIQ-UHFFFAOYSA-N -1 1 350.330 2.595 20 10 FFCDMM CCOc1cccc2[nH]cc(CC(=O)OCC(=O)c3ccc([O-])c(O)c3)c21 ZINC000784865393 1030850628 /nfs/dbraw/zinc/85/06/28/1030850628.db2.gz ZRVRZDIZTYUKHV-UHFFFAOYSA-N -1 1 369.373 2.946 20 10 FFCDMM CCNS(=O)(=O)c1ccc2c(c1)N(Cc1cc(F)cc(F)c1[O-])CC2 ZINC001205408666 1031721506 /nfs/dbraw/zinc/72/15/06/1031721506.db2.gz AOCLVONVMJTDKR-UHFFFAOYSA-N -1 1 368.405 2.531 20 10 FFCDMM Cc1cc(CC(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1 ZINC000830906427 1033853885 /nfs/dbraw/zinc/85/38/85/1033853885.db2.gz LMAWTAIWXQWXBT-INIZCTEOSA-N -1 1 364.453 2.556 20 10 FFCDMM CC(=O)N1CCC[C@@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227577147 1035614065 /nfs/dbraw/zinc/61/40/65/1035614065.db2.gz HJEKHQZSTKTEQM-CYBMUJFWSA-N -1 1 365.385 2.557 20 10 FFCDMM CCOC(=O)c1sc(-c2ccc([O-])c(CN3CC4(CCO4)C3)c2)nc1C ZINC001232453523 1035696767 /nfs/dbraw/zinc/69/67/67/1035696767.db2.gz IREVPFUMGYFSPY-UHFFFAOYSA-N -1 1 374.462 2.976 20 10 FFCDMM COC(=O)[C@@]1(C)C[C@@H](Oc2c(C(=O)c3ccc([O-])cc3)ccc(O)c2O)C1 ZINC001228108170 1035937911 /nfs/dbraw/zinc/93/79/11/1035937911.db2.gz CWEXHZRCCUFJPK-NXHRWCDGSA-N -1 1 372.373 2.755 20 10 FFCDMM CC(=O)[C@@H](C)Oc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228188342 1035981394 /nfs/dbraw/zinc/98/13/94/1035981394.db2.gz BFBMDBSCRURAGJ-QLJPJBMISA-N -1 1 358.346 2.866 20 10 FFCDMM Cc1noc([C@@H]2CC[C@@H]3[C@@H](CC[N@H+]3Cc3ccc(F)c(F)c3[O-])O2)n1 ZINC001233074490 1036318585 /nfs/dbraw/zinc/31/85/85/1036318585.db2.gz JINOMOLHAPEOEN-MCIONIFRSA-N -1 1 351.353 2.856 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001233335789 1036542622 /nfs/dbraw/zinc/54/26/22/1036542622.db2.gz LOLDXHYCRBMTLH-UHFFFAOYSA-N -1 1 374.313 2.801 20 10 FFCDMM CCOCc1nnn2c1CN(Cc1cccc(C(F)(F)F)c1[O-])CCC2 ZINC001233417272 1036611672 /nfs/dbraw/zinc/61/16/72/1036611672.db2.gz OMGRAWURPRETTF-UHFFFAOYSA-N -1 1 370.375 2.945 20 10 FFCDMM O=C(c1ccncc1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233419350 1036613177 /nfs/dbraw/zinc/61/31/77/1036613177.db2.gz UUJMVQHHLBHRHC-UHFFFAOYSA-N -1 1 365.355 2.764 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001234473914 1037054902 /nfs/dbraw/zinc/05/49/02/1037054902.db2.gz MDDPAZAOZDLXMB-AWEZNQCLSA-N -1 1 373.352 2.934 20 10 FFCDMM CN(Cc1cncc(Br)c1)Cc1ccc(C(=O)[O-])cc1O ZINC001231450393 1037587789 /nfs/dbraw/zinc/58/77/89/1037587789.db2.gz QXICUXMLHZHGIP-UHFFFAOYSA-N -1 1 351.200 2.880 20 10 FFCDMM C[N@@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452080 1037592662 /nfs/dbraw/zinc/59/26/62/1037592662.db2.gz CYOJDMOJVMCKHB-ZDUSSCGKSA-N -1 1 364.442 2.779 20 10 FFCDMM C[N@H+](Cc1ccc(C(=O)[O-])cc1[O-])C[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231452080 1037592673 /nfs/dbraw/zinc/59/26/73/1037592673.db2.gz CYOJDMOJVMCKHB-ZDUSSCGKSA-N -1 1 364.442 2.779 20 10 FFCDMM O=C(c1cccnc1)N1CCC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001231912379 1038009285 /nfs/dbraw/zinc/00/92/85/1038009285.db2.gz ZTILMYLHZPCMEZ-UHFFFAOYSA-N -1 1 357.841 2.789 20 10 FFCDMM O=C([C@H]1CCCO1)N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1 ZINC001237078049 1038438368 /nfs/dbraw/zinc/43/83/68/1038438368.db2.gz MOZKOVRTVSURTO-CQSZACIVSA-N -1 1 359.253 2.522 20 10 FFCDMM O=C(N1CCN(Cc2c([O-])ccc(Cl)c2Cl)CC1)C(F)(F)F ZINC001237077751 1038439015 /nfs/dbraw/zinc/43/90/15/1038439015.db2.gz KEGCXFBJQMVBCX-UHFFFAOYSA-N -1 1 357.159 2.906 20 10 FFCDMM O=S(=O)(Nc1ccn2cnnc2c1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251394321 1039108687 /nfs/dbraw/zinc/10/86/87/1039108687.db2.gz JIOMVGVORPLEIY-UHFFFAOYSA-N -1 1 359.194 2.543 20 10 FFCDMM O=S(=O)(c1cc(Cl)cc(Cl)c1[O-])N1CC[C@H](N2CCCC2)C1 ZINC001251408989 1039113698 /nfs/dbraw/zinc/11/36/98/1039113698.db2.gz GNDYHNNKJMZUIM-NSHDSACASA-N -1 1 365.282 2.558 20 10 FFCDMM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)Nc1c(F)cc([O-])cc1F)C(=O)C2 ZINC001258987104 1039641732 /nfs/dbraw/zinc/64/17/32/1039641732.db2.gz UMRAHKASUTVXIB-JDNHERCYSA-N -1 1 359.394 2.808 20 10 FFCDMM COc1ccc(CN2CCSCC2)c([O-])c1I ZINC001248487600 1040298253 /nfs/dbraw/zinc/29/82/53/1040298253.db2.gz RSGVHRCSOMFOKY-UHFFFAOYSA-N -1 1 365.236 2.554 20 10 FFCDMM COc1ccc([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)c(F)c1 ZINC001261066433 1040970952 /nfs/dbraw/zinc/97/09/52/1040970952.db2.gz WSPLONLRHVHABB-UHFFFAOYSA-N -1 1 357.750 2.825 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001263843230 1042496372 /nfs/dbraw/zinc/49/63/72/1042496372.db2.gz SJHKNIIPCYYLRI-LLVKDONJSA-N -1 1 360.483 2.515 20 10 FFCDMM O=C(Cc1ccsc1)N1C[C@H]2C[C@@H](C1)N2Cc1c([O-])ccc(F)c1F ZINC001279488562 1043173210 /nfs/dbraw/zinc/17/32/10/1043173210.db2.gz JYMAWYDYRAYQKM-BETUJISGSA-N -1 1 364.417 2.760 20 10 FFCDMM Cc1noc(C[C@H]2C[C@H]3CN(Cc4cc(Cl)cc(F)c4[O-])C[C@H]3O2)n1 ZINC001237618177 1043274648 /nfs/dbraw/zinc/27/46/48/1043274648.db2.gz GDFNDDSNJQOJHF-PSOPSSQASA-N -1 1 367.808 2.708 20 10 FFCDMM CC(=O)[C@H]1CCC[N@@H+](Cc2cccc(I)c2[O-])C1 ZINC001237783847 1043354934 /nfs/dbraw/zinc/35/49/34/1043354934.db2.gz OYSQNAXDUZFUKT-NSHDSACASA-N -1 1 359.207 2.798 20 10 FFCDMM CC(C)(C)OC(=O)CN1CCN(Cc2cc(F)c(Cl)cc2[O-])CC1 ZINC001237938226 1043443458 /nfs/dbraw/zinc/44/34/58/1043443458.db2.gz ZLBFFWAUCZEGAL-UHFFFAOYSA-N -1 1 358.841 2.644 20 10 FFCDMM CN(C(=O)[C@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2)C1CC(F)(F)C1 ZINC001279739949 1043561674 /nfs/dbraw/zinc/56/16/74/1043561674.db2.gz GGWRQCBCQRZONO-GFCCVEGCSA-N -1 1 372.362 2.748 20 10 FFCDMM CS(=O)(=O)c1cc(NC(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001310746735 1043731361 /nfs/dbraw/zinc/73/13/61/1043731361.db2.gz DAJKGBUWGLGTFV-UHFFFAOYSA-N -1 1 372.805 2.910 20 10 FFCDMM CC(C)OCc1nc([C@@H](C)NC(=O)NCc2cccc(Cl)c2[O-])no1 ZINC001312795192 1044170919 /nfs/dbraw/zinc/17/09/19/1044170919.db2.gz STNPLJVYPOLFMH-SNVBAGLBSA-N -1 1 368.821 2.914 20 10 FFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cn(Cc2cccc(F)c2)nn1 ZINC001325345530 1046478087 /nfs/dbraw/zinc/47/80/87/1046478087.db2.gz MAXXNAFARWWTND-UHFFFAOYSA-N -1 1 372.747 2.907 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(F)cc1 ZINC000752908353 1052315290 /nfs/dbraw/zinc/31/52/90/1052315290.db2.gz ADTNCWDYGPDKJC-CQSZACIVSA-N -1 1 368.416 2.766 20 10 FFCDMM COc1nc(Cl)c(C[NH2+]Cc2cccc(Br)c2O)n1C ZINC001343923763 1052491580 /nfs/dbraw/zinc/49/15/80/1052491580.db2.gz SKBGUWWLLCPPOW-UHFFFAOYSA-N -1 1 360.639 2.840 20 10 FFCDMM O=C([O-])C[C@H]([NH2+]Cc1c([O-])cccc1Br)C1CCOCC1 ZINC001335467039 1053382014 /nfs/dbraw/zinc/38/20/14/1053382014.db2.gz WNAAULOFXPGLJX-ZDUSSCGKSA-N -1 1 358.232 2.514 20 10 FFCDMM COc1cccc(N2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC001347792868 1054327676 /nfs/dbraw/zinc/32/76/76/1054327676.db2.gz DICXVOAWJWBIHB-UHFFFAOYSA-N -1 1 360.385 2.644 20 10 FFCDMM CCC[N@@H+](Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)Cc1ccccc1F ZINC000849346549 1056833734 /nfs/dbraw/zinc/83/37/34/1056833734.db2.gz SVGXIXHKJDLOHR-UHFFFAOYSA-N -1 1 358.373 2.684 20 10 FFCDMM CCCN(Cc1cc(=O)n2ncc(C(=O)[O-])c2[nH]1)Cc1ccccc1F ZINC000849346549 1056833745 /nfs/dbraw/zinc/83/37/45/1056833745.db2.gz SVGXIXHKJDLOHR-UHFFFAOYSA-N -1 1 358.373 2.684 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1c2c(ccc1F)OCO2 ZINC001448967122 1058844414 /nfs/dbraw/zinc/84/44/14/1058844414.db2.gz UKNINZAWYOEXMH-UHFFFAOYSA-N -1 1 368.158 2.953 20 10 FFCDMM CSc1c(F)cccc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC001584297690 1079335311 /nfs/dbraw/zinc/33/53/11/1079335311.db2.gz DNHJKNAHSBAHDP-UHFFFAOYSA-N -1 1 370.427 2.877 20 10 FFCDMM COc1ccc(N2CCN(C(=O)c3ccc(F)c([O-])c3)CC2)c(OC)c1 ZINC001557824034 1075895968 /nfs/dbraw/zinc/89/59/68/1075895968.db2.gz PGEAPJHTEPJJMH-UHFFFAOYSA-N -1 1 360.385 2.511 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2c(c1)nc1n(c2=O)CCC1 ZINC001558756902 1076070214 /nfs/dbraw/zinc/07/02/14/1076070214.db2.gz HFOJUFOFAVJNLJ-UHFFFAOYSA-N -1 1 369.808 2.632 20 10 FFCDMM C[S@@](=O)c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001564268788 1076620896 /nfs/dbraw/zinc/62/08/96/1076620896.db2.gz QGAHQPIJNFQMJN-HSZRJFAPSA-N -1 1 352.843 2.782 20 10 FFCDMM C[C@H](NC(=O)NCc1ccc(-c2nn[n-]n2)s1)c1ccc(N(C)C)cc1 ZINC001589935815 1080879193 /nfs/dbraw/zinc/87/91/93/1080879193.db2.gz MKTIHLYUYBHQTI-NSHDSACASA-N -1 1 371.470 2.555 20 10 FFCDMM CS(=O)(=O)N1CCc2c1cccc2NCc1cccc(Cl)c1[O-] ZINC000184227505 510205700 /nfs/dbraw/zinc/20/57/00/510205700.db2.gz VHJIQZTUPIPRDN-UHFFFAOYSA-N -1 1 352.843 2.980 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1c([O-])cccc1F ZINC000187498266 510301302 /nfs/dbraw/zinc/30/13/02/510301302.db2.gz HCKNSNDRPBCDIK-UHFFFAOYSA-N -1 1 362.376 2.562 20 10 FFCDMM O=C(NCCC1CCN(CC(F)(F)F)CC1)c1c(F)ccc(O)c1[O-] ZINC000276511020 510940299 /nfs/dbraw/zinc/94/02/99/510940299.db2.gz BDRWXRNIIOWSQM-UHFFFAOYSA-N -1 1 364.339 2.631 20 10 FFCDMM COc1c([O-])c(CNCc2csc([C@@H](C)OC)n2)ccc1[N+](=O)[O-] ZINC000278295099 510988352 /nfs/dbraw/zinc/98/83/52/510988352.db2.gz CACFDPXINCTUHK-SECBINFHSA-N -1 1 353.400 2.763 20 10 FFCDMM COc1c([O-])c(CN2CCOC[C@H]2c2nc(C)cs2)ccc1[N+](=O)[O-] ZINC000278380818 510992061 /nfs/dbraw/zinc/99/20/61/510992061.db2.gz LSCFGALQCFYHLQ-ZDUSSCGKSA-N -1 1 365.411 2.647 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)/N=c2/ccnc3n(C)[n-]cc2-3)cc1F ZINC000287672697 511055707 /nfs/dbraw/zinc/05/57/07/511055707.db2.gz QGHYHLLENHATTP-JLPGSUDCSA-N -1 1 370.432 2.649 20 10 FFCDMM CCc1nnc(CNC(=O)NCc2cccc(Br)c2[O-])s1 ZINC000290880069 511153019 /nfs/dbraw/zinc/15/30/19/511153019.db2.gz GCVXONRYOUQEBK-UHFFFAOYSA-N -1 1 371.260 2.568 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@@H](O)c2cnn(C)c2)c1[O-] ZINC000375823212 512525964 /nfs/dbraw/zinc/52/59/64/512525964.db2.gz JGWDUACDZNTOTH-FUHWJXTLSA-N -1 1 361.417 2.556 20 10 FFCDMM O=C(CC[C@H]1CCOC1)N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000376612975 512899285 /nfs/dbraw/zinc/89/92/85/512899285.db2.gz XYZNVGNGSPXKAG-YOEHRIQHSA-N -1 1 366.889 2.943 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CC[C@@H](NC(=O)[O-])[C@@H](C)C2)c1 ZINC000833896911 605912621 /nfs/dbraw/zinc/91/26/21/605912621.db2.gz ATSVUQQBRWXKHK-GXFFZTMASA-N -1 1 357.248 2.941 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2C[C@H](CNC(=O)[O-])C[C@H]2C)c1 ZINC000833897370 605912898 /nfs/dbraw/zinc/91/28/98/605912898.db2.gz JBUSVNVOCBQEQV-MNOVXSKESA-N -1 1 357.248 2.941 20 10 FFCDMM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1 ZINC000041374401 727939596 /nfs/dbraw/zinc/93/95/96/727939596.db2.gz FXODMZCWTXZPHS-UHFFFAOYSA-N -1 1 360.435 2.527 20 10 FFCDMM COc1ccc(CN(CCO)Cc2ccc(F)c(F)c2[O-])c(OC)c1 ZINC000876731533 732273514 /nfs/dbraw/zinc/27/35/14/732273514.db2.gz RYDWOPFVNDUZSU-UHFFFAOYSA-N -1 1 353.365 2.682 20 10 FFCDMM O=C([N-]CC1CC[NH+](Cc2ccc(F)c(F)c2[O-])CC1)C(F)(F)F ZINC000877495698 732373253 /nfs/dbraw/zinc/37/32/53/732373253.db2.gz DTIKTWVPGQXOTP-UHFFFAOYSA-N -1 1 352.303 2.561 20 10 FFCDMM COC(=O)[C@H](Cc1cncs1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000879993618 732815502 /nfs/dbraw/zinc/81/55/02/732815502.db2.gz YVYNBIRQPPEAPR-AWEZNQCLSA-N -1 1 368.842 2.579 20 10 FFCDMM CC[C@@H](C)C(=O)N1CCC[C@@H](C(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000890757289 734336393 /nfs/dbraw/zinc/33/63/93/734336393.db2.gz BEMQKYAGDZERDP-TZMCWYRMSA-N -1 1 352.862 2.947 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000891979972 734503117 /nfs/dbraw/zinc/50/31/17/734503117.db2.gz YIVSDSZBZMYNJC-SNVBAGLBSA-N -1 1 365.783 2.729 20 10 FFCDMM CCc1nn(C)c(CC)c1CNC(=O)NCc1cccc(Cl)c1[O-] ZINC000893835721 734759334 /nfs/dbraw/zinc/75/93/34/734759334.db2.gz BECYJQHYBUYOMZ-UHFFFAOYSA-N -1 1 350.850 2.903 20 10 FFCDMM CC(C)O[C@]1(CS(=O)(=O)Nc2cc(F)c([O-])cc2Cl)CCOC1 ZINC000901962389 735879595 /nfs/dbraw/zinc/87/95/95/735879595.db2.gz GQKDRXKIEABDDT-CQSZACIVSA-N -1 1 367.826 2.511 20 10 FFCDMM O=S(=O)(CCOCC(F)(F)F)Nc1cc(F)c([O-])cc1Cl ZINC000901962579 735879791 /nfs/dbraw/zinc/87/97/91/735879791.db2.gz HZKFYLOHNYBNQN-UHFFFAOYSA-N -1 1 351.705 2.505 20 10 FFCDMM C[C@H](NCc1nnc2n1CCC2)c1cc(Br)cc(F)c1[O-] ZINC000756391250 736327274 /nfs/dbraw/zinc/32/72/74/736327274.db2.gz LDLQHDIWEQPTBH-QMMMGPOBSA-N -1 1 355.211 2.682 20 10 FFCDMM C[C@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764797701 737050430 /nfs/dbraw/zinc/05/04/30/737050430.db2.gz MDKHFJAMXHLGQT-MNOVXSKESA-N -1 1 357.248 2.769 20 10 FFCDMM CCOc1ncccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765733410 737150798 /nfs/dbraw/zinc/15/07/98/737150798.db2.gz YFJFUSMWDHEHIL-UHFFFAOYSA-N -1 1 351.200 2.878 20 10 FFCDMM Cc1cc(C)n([C@@H](C)C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765747996 737153136 /nfs/dbraw/zinc/15/31/36/737153136.db2.gz STQDAVHMZTXICJ-NSHDSACASA-N -1 1 352.232 2.845 20 10 FFCDMM Cc1ncc(Cl)c(C(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765756891 737154958 /nfs/dbraw/zinc/15/49/58/737154958.db2.gz ODZINGPPETURSK-UHFFFAOYSA-N -1 1 356.607 2.837 20 10 FFCDMM COCc1nc(C(=O)NCc2cccc(Br)c2[O-])cs1 ZINC000765766851 737156526 /nfs/dbraw/zinc/15/65/26/737156526.db2.gz CVWQRJQZSPZSMQ-UHFFFAOYSA-N -1 1 357.229 2.688 20 10 FFCDMM C[C@H](CC(=O)[O-])CC(=O)N[C@@H]1CCCN(Cc2cc(Cl)ccc2O)C1 ZINC000911369109 737195563 /nfs/dbraw/zinc/19/55/63/737195563.db2.gz NFKNGBXIBOVERP-SWLSCSKDSA-N -1 1 368.861 2.627 20 10 FFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccccc1F ZINC000766206038 737207690 /nfs/dbraw/zinc/20/76/90/737207690.db2.gz CXDATMQBPXDSQZ-UHFFFAOYSA-N -1 1 360.204 2.772 20 10 FFCDMM CCc1cccc2c1N(C(=O)c1cc(NS(C)(=O)=O)ccc1[O-])CC2 ZINC000769741989 737560452 /nfs/dbraw/zinc/56/04/52/737560452.db2.gz NWDYBGGKZJWUGA-UHFFFAOYSA-N -1 1 360.435 2.529 20 10 FFCDMM COc1cccc2c1O[C@H](c1cccc(Br)c1[O-])NC2=O ZINC000917500345 737761312 /nfs/dbraw/zinc/76/13/12/737761312.db2.gz ADUIXVKDTVGYGY-OAHLLOKOSA-N -1 1 350.168 2.984 20 10 FFCDMM NC(=O)CN1CCc2ccc(NCc3cc(Cl)cc(F)c3[O-])cc2C1 ZINC000789771033 739386543 /nfs/dbraw/zinc/38/65/43/739386543.db2.gz ZVFREBKMPAYDNS-UHFFFAOYSA-N -1 1 363.820 2.640 20 10 FFCDMM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(O)cc2CC)c1C ZINC000790417110 739451549 /nfs/dbraw/zinc/45/15/49/739451549.db2.gz HVKDUGDTRXBVAX-UHFFFAOYSA-N -1 1 366.439 2.877 20 10 FFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1OC ZINC000792703336 739696079 /nfs/dbraw/zinc/69/60/79/739696079.db2.gz UVAFOQQFELWTHT-UHFFFAOYSA-N -1 1 355.437 2.932 20 10 FFCDMM O=C1CNC(=O)N1c1cc(NCc2c([O-])ccc(Cl)c2F)ccc1F ZINC000793360596 739773252 /nfs/dbraw/zinc/77/32/52/739773252.db2.gz YXCOPHPFUVMCDS-UHFFFAOYSA-N -1 1 367.739 2.992 20 10 FFCDMM CSCCO[N-]C(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2 ZINC000794189046 739860520 /nfs/dbraw/zinc/86/05/20/739860520.db2.gz UDCJXPPRKBYMHU-UHFFFAOYSA-N -1 1 361.511 2.819 20 10 FFCDMM COc1cc([N-]S(=O)(=O)c2ccc(Br)cc2)ccc1O ZINC000797819589 740275997 /nfs/dbraw/zinc/27/59/97/740275997.db2.gz NSYURFLNTGXNFG-UHFFFAOYSA-N -1 1 358.213 2.964 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](S(C)(=O)=O)CC2)c1[O-] ZINC000800457228 740525486 /nfs/dbraw/zinc/52/54/86/740525486.db2.gz KJOGZOGAVHPVBR-AWEZNQCLSA-N -1 1 359.875 2.647 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)CC)c1 ZINC000808110220 741187354 /nfs/dbraw/zinc/18/73/54/741187354.db2.gz BXWBZMJMHIUKAB-UHFFFAOYSA-N -1 1 362.451 2.847 20 10 FFCDMM CC1(C)CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@](C)(C(F)(F)F)O1 ZINC000832878291 745765192 /nfs/dbraw/zinc/76/51/92/745765192.db2.gz RKJNDBUPOUKVQT-CQSZACIVSA-N -1 1 351.296 2.809 20 10 FFCDMM C[C@@H]1C[C@H](CNC(=O)NCc2cccc(Br)c2[O-])[C@H](C)O1 ZINC000840431767 747091448 /nfs/dbraw/zinc/09/14/48/747091448.db2.gz DIYZZWSGAQRZCU-JFGNBEQYSA-N -1 1 357.248 2.767 20 10 FFCDMM C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000844145683 747978481 /nfs/dbraw/zinc/97/84/81/747978481.db2.gz CDSOJWKKXWULAP-ZJUUUORDSA-N -1 1 356.394 2.659 20 10 FFCDMM Cc1cnc2c(cccc2S(=O)(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000392273685 845852198 /nfs/dbraw/zinc/85/21/98/845852198.db2.gz FHQRXFYXCVPWGD-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC001594325541 958167839 /nfs/dbraw/zinc/16/78/39/958167839.db2.gz ZIGZFFNRNBQAEY-OCCSQVGLSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC001594325541 958167844 /nfs/dbraw/zinc/16/78/44/958167844.db2.gz ZIGZFFNRNBQAEY-OCCSQVGLSA-N -1 1 363.845 2.778 20 10 FFCDMM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)c(Cl)c1 ZINC000391505687 972341756 /nfs/dbraw/zinc/34/17/56/972341756.db2.gz LTOYZCGIYDVXNL-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM CC(C)=CCN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1c(O)cccc1F)C2 ZINC001276031751 1013297662 /nfs/dbraw/zinc/29/76/62/1013297662.db2.gz NNUSUAWQLAAFNG-FQEVSTJZSA-N -1 1 362.445 2.548 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cnccn3)[C@H](C)C2)c1[O-] ZINC001177015904 1013829073 /nfs/dbraw/zinc/82/90/73/1013829073.db2.gz SEXXGGWDYUUIED-GFCCVEGCSA-N -1 1 360.845 2.749 20 10 FFCDMM O=C(c1cccc(F)c1)N1CCN(Cc2cc(F)c(F)cc2[O-])CC1 ZINC001142520477 982527051 /nfs/dbraw/zinc/52/70/51/982527051.db2.gz KELXCEVSBKFKTD-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1cccc(F)c1C(=O)[O-] ZINC001599809558 988310527 /nfs/dbraw/zinc/31/05/27/988310527.db2.gz KGWJPPUZTKFMDW-UHFFFAOYSA-N -1 1 357.384 2.752 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN(Cc1ccc(Cl)cc1)C1CC1)cc2=O ZINC000846240097 1000241105 /nfs/dbraw/zinc/24/11/05/1000241105.db2.gz WEWXERZDLWGTQL-UHFFFAOYSA-N -1 1 372.812 2.951 20 10 FFCDMM C[C@H]1C[C@@H](c2cccc(F)c2)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250332 1000244817 /nfs/dbraw/zinc/24/48/17/1000244817.db2.gz YVSAUXZVSCPGMK-ZBEGNZNMSA-N -1 1 370.384 2.855 20 10 FFCDMM O=C(NCc1nccn1CCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000789993332 1002251090 /nfs/dbraw/zinc/25/10/90/1002251090.db2.gz VIDCGPDHNSGTGM-UHFFFAOYSA-N -1 1 355.369 2.606 20 10 FFCDMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(Cl)c(C)c2)ccc1O ZINC001185525317 1002979290 /nfs/dbraw/zinc/97/92/90/1002979290.db2.gz XDBJRGVRDQXPMB-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM Cc1cc(C(=O)OCCC[N-]C(=O)C(F)(F)F)c(C)n1-c1ccccn1 ZINC000774920883 1003039635 /nfs/dbraw/zinc/03/96/35/1003039635.db2.gz ZOKWKAYWRQOGAD-UHFFFAOYSA-N -1 1 369.343 2.715 20 10 FFCDMM CCN(CC)c1nc(NCC(=O)c2ccc([O-])c(O)c2)nc2cccnc21 ZINC001170316740 1003105818 /nfs/dbraw/zinc/10/58/18/1003105818.db2.gz MCFIQUTVUHWMLF-UHFFFAOYSA-N -1 1 367.409 2.577 20 10 FFCDMM O=C(CNc1ccc(OCc2ccccc2)nn1)c1ccc([O-])c(O)c1 ZINC001170316536 1003105919 /nfs/dbraw/zinc/10/59/19/1003105919.db2.gz HPILJIXUHZMKGS-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM CCOC(=O)c1c(F)cc(NCC(=O)c2ccc([O-])c(O)c2)cc1F ZINC001170323014 1003112181 /nfs/dbraw/zinc/11/21/81/1003112181.db2.gz SWWJQVZGQQTKEI-UHFFFAOYSA-N -1 1 351.305 2.848 20 10 FFCDMM CN1CC[C@@]2(CC[N@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767900 1003484456 /nfs/dbraw/zinc/48/44/56/1003484456.db2.gz OZPRNQRVOYMUOB-JOCHJYFZSA-N -1 1 366.461 2.856 20 10 FFCDMM CN1CC[C@@]2(CC[N@@H+](Cc3c([O-])ccc(C(=O)c4ccccc4)c3[O-])C2)C1 ZINC000793767900 1003484459 /nfs/dbraw/zinc/48/44/59/1003484459.db2.gz OZPRNQRVOYMUOB-JOCHJYFZSA-N -1 1 366.461 2.856 20 10 FFCDMM O=C(CNC(=S)Nc1c(F)c(F)cc(F)c1F)c1ccc([O-])c(O)c1 ZINC001197419824 1004216194 /nfs/dbraw/zinc/21/61/94/1004216194.db2.gz XWMGWOFPUPQIRK-UHFFFAOYSA-N -1 1 374.315 2.824 20 10 FFCDMM C[C@](O)(C1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1)C(F)(F)F ZINC001193231938 1004411881 /nfs/dbraw/zinc/41/18/81/1004411881.db2.gz BVQKHFGGYXPKLR-AWEZNQCLSA-N -1 1 367.751 2.917 20 10 FFCDMM COc1ccc(O[C@@H](C)CNC(=O)c2ccc(O)c([O-])c2Cl)cc1 ZINC001193236639 1004412961 /nfs/dbraw/zinc/41/29/61/1004412961.db2.gz KSTPJLQBGPFDBU-JTQLQIEISA-N -1 1 351.786 2.957 20 10 FFCDMM O=S(=O)(Cc1cccc(Br)c1)[N-]c1cccc(O)c1O ZINC001188681541 1006674298 /nfs/dbraw/zinc/67/42/98/1006674298.db2.gz SXAHSWLYWIFECZ-UHFFFAOYSA-N -1 1 358.213 2.802 20 10 FFCDMM O=C(CNC(=O)c1csc(-c2cccs2)n1)c1ccc([O-])c(O)c1 ZINC001190578910 1007683762 /nfs/dbraw/zinc/68/37/62/1007683762.db2.gz LVMNFDHBSWBIDM-UHFFFAOYSA-N -1 1 360.416 2.896 20 10 FFCDMM CC(C)(C)CC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001180411424 1009686144 /nfs/dbraw/zinc/68/61/44/1009686144.db2.gz YPTQEUFAENGOOU-ZDUSSCGKSA-N -1 1 370.902 3.000 20 10 FFCDMM CC[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2C(=O)c1ccc(O)c([O-])c1Cl ZINC001274705997 1011603374 /nfs/dbraw/zinc/60/33/74/1011603374.db2.gz JDALZJRXITUQOH-CYZMBNFOSA-N -1 1 366.845 2.755 20 10 FFCDMM Cn1cc(Oc2ccccc2C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000801466516 1019018650 /nfs/dbraw/zinc/01/86/50/1019018650.db2.gz QKRPIWRLEZZDRR-UHFFFAOYSA-N -1 1 368.345 2.663 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncoc1[C@H]1CCCO1 ZINC001116794284 1021419316 /nfs/dbraw/zinc/41/93/16/1021419316.db2.gz QWMDPAYPSNFILQ-LLVKDONJSA-N -1 1 367.199 2.924 20 10 FFCDMM CCc1ccc(S(C)(=O)=O)cc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001159034386 1027237617 /nfs/dbraw/zinc/23/76/17/1027237617.db2.gz UDXYFAAUYQBOHX-UHFFFAOYSA-N -1 1 367.854 2.942 20 10 FFCDMM O=C(CNC(F)(F)c1cc([N+](=O)[O-])cnc1Cl)c1ccc([O-])c(O)c1 ZINC001159277720 1027331667 /nfs/dbraw/zinc/33/16/67/1027331667.db2.gz WQEGZYHIRJJPFU-UHFFFAOYSA-N -1 1 373.699 2.576 20 10 FFCDMM O=C(CNc1cc([N+](=O)[O-])cc2c(Cl)ncnc12)c1ccc([O-])c(O)c1 ZINC001159280210 1027334674 /nfs/dbraw/zinc/33/46/74/1027334674.db2.gz GIVGJHQLCKFMII-UHFFFAOYSA-N -1 1 374.740 2.897 20 10 FFCDMM COc1cc2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc2cc1OC ZINC001159279185 1027335570 /nfs/dbraw/zinc/33/55/70/1027335570.db2.gz KXBROXSLSXLVIA-UHFFFAOYSA-N -1 1 354.362 2.958 20 10 FFCDMM O=C(c1cc2cc(O)c([O-])cc2oc1=O)N1C[C@@H]2C[C@H](C1)c1ccccc12 ZINC001155224099 1028631418 /nfs/dbraw/zinc/63/14/18/1028631418.db2.gz AKMPRIWTSKLEPA-BETUJISGSA-N -1 1 363.369 2.931 20 10 FFCDMM Cn1c(CNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)cc2ccccc21 ZINC001155232240 1028638348 /nfs/dbraw/zinc/63/83/48/1028638348.db2.gz OGHFCMNNZZAGMQ-UHFFFAOYSA-N -1 1 364.357 2.626 20 10 FFCDMM O=C(COC(=O)c1cc2c([nH]c1=O)CCCCC2)c1ccc([O-])c(O)c1 ZINC000783746949 1030264322 /nfs/dbraw/zinc/26/43/22/1030264322.db2.gz VJVFVNWWXSKLPX-UHFFFAOYSA-N -1 1 357.362 2.507 20 10 FFCDMM Oc1cc(F)c(F)cc1C[N@H+]1CCc2ncnc(N3CCCC3)c2CC1 ZINC001142517383 1030567120 /nfs/dbraw/zinc/56/71/20/1030567120.db2.gz LHTQDDUVLCANBZ-UHFFFAOYSA-N -1 1 360.408 2.661 20 10 FFCDMM [O-]c1c(F)cccc1CN1CCCn2nnc(COc3cccnc3)c2C1 ZINC001138123770 1033801621 /nfs/dbraw/zinc/80/16/21/1033801621.db2.gz LBSGQNZRTQUKAS-UHFFFAOYSA-N -1 1 369.400 2.503 20 10 FFCDMM O=C(NCC(=O)N1CCCc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001224528171 1033917513 /nfs/dbraw/zinc/91/75/13/1033917513.db2.gz SXIBHHYEBDVVCJ-UHFFFAOYSA-N -1 1 373.840 2.824 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccncc2)CC1 ZINC001139129404 1034958410 /nfs/dbraw/zinc/95/84/10/1034958410.db2.gz YLJXYJJMWLELAD-UHFFFAOYSA-N -1 1 365.433 2.520 20 10 FFCDMM O=C1CN(Cc2cc(Cl)c([O-])cc2O)CCN1c1ccc(F)cc1 ZINC001232262757 1035533311 /nfs/dbraw/zinc/53/33/11/1035533311.db2.gz OQTZJXMYUIMDGB-UHFFFAOYSA-N -1 1 350.777 2.739 20 10 FFCDMM C[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)Cc2nnc(C(F)(F)F)n21 ZINC001232263781 1035536157 /nfs/dbraw/zinc/53/61/57/1035536157.db2.gz VXMSYXNQGZZNJG-ZETCQYMHSA-N -1 1 362.739 2.938 20 10 FFCDMM CC[C@@H](CC(=O)OC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581049 1035618364 /nfs/dbraw/zinc/61/83/64/1035618364.db2.gz UOHJARWFCZKVBC-NSHDSACASA-N -1 1 354.358 2.888 20 10 FFCDMM COc1cc(O[C@@H]2CCC[N@@H+](C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227656804 1035658936 /nfs/dbraw/zinc/65/89/36/1035658936.db2.gz DCEXELPBTSFIKF-LLVKDONJSA-N -1 1 371.389 2.839 20 10 FFCDMM COc1cc(O[C@@H]2CCCN(C)C2)c2c([O-])c3c(=O)c(O)ccc-3oc2c1 ZINC001227656804 1035658940 /nfs/dbraw/zinc/65/89/40/1035658940.db2.gz DCEXELPBTSFIKF-LLVKDONJSA-N -1 1 371.389 2.839 20 10 FFCDMM O=C(NC1CCN(Cc2c([O-])cc(F)cc2F)CC1)N1CCCCC1 ZINC001140585310 1035670781 /nfs/dbraw/zinc/67/07/81/1035670781.db2.gz DWRZKUAXYHHWJT-UHFFFAOYSA-N -1 1 353.413 2.830 20 10 FFCDMM CC(=O)[C@@H](C)N1C[C@@]2(CC1=O)CCCCN2Cc1cccc(Cl)c1[O-] ZINC001277232579 1035682357 /nfs/dbraw/zinc/68/23/57/1035682357.db2.gz URTREGWOAZVURX-YJYMSZOUSA-N -1 1 364.873 2.980 20 10 FFCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@H]3CCO3)c21 ZINC001228193739 1035985293 /nfs/dbraw/zinc/98/52/93/1035985293.db2.gz MLJWUTVGXZEXIF-WBMJQRKESA-N -1 1 358.346 2.678 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@](F)(CO)CC1 ZINC001233028502 1036266469 /nfs/dbraw/zinc/26/64/69/1036266469.db2.gz PEXMQHSMBFOKCY-CQSZACIVSA-N -1 1 350.203 2.980 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCC(n2cnnc2)CC1 ZINC001233030513 1036272147 /nfs/dbraw/zinc/27/21/47/1036272147.db2.gz WIFNICNKFQKBEU-UHFFFAOYSA-N -1 1 355.211 2.722 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCCOC(C)(C)C2)c1 ZINC001233308322 1036513852 /nfs/dbraw/zinc/51/38/52/1036513852.db2.gz LXTBTSBAHNOQBD-UHFFFAOYSA-N -1 1 372.259 2.942 20 10 FFCDMM CC(C)C(=O)N1CCC[C@]2(CN(Cc3c([O-])ccc(F)c3F)CCO2)C1 ZINC001233333657 1036541632 /nfs/dbraw/zinc/54/16/32/1036541632.db2.gz DCSJTFKFCLCMNH-IBGZPJMESA-N -1 1 368.424 2.520 20 10 FFCDMM COc1ccc(C(=O)N2CCN(Cc3c([O-])ccc(F)c3F)CC2)cc1 ZINC001233336381 1036544684 /nfs/dbraw/zinc/54/46/84/1036544684.db2.gz JWROKXFCBSUMLC-UHFFFAOYSA-N -1 1 362.376 2.637 20 10 FFCDMM COC(C[C@@H](C)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)OC ZINC001229196792 1036546938 /nfs/dbraw/zinc/54/69/38/1036546938.db2.gz HXAQRFLWHDMOHM-SNVBAGLBSA-N -1 1 372.373 2.650 20 10 FFCDMM CC(=O)c1ccc(N2CCN(Cc3cc(C(=O)[O-])ccc3O)CC2)cc1 ZINC001231565255 1037689619 /nfs/dbraw/zinc/68/96/19/1037689619.db2.gz RAJCIFXWPQTXFN-UHFFFAOYSA-N -1 1 354.406 2.615 20 10 FFCDMM COc1cccc(CNC(=O)Nc2ccc(-n3ccc(=O)[n-]3)cc2)c1O ZINC001208047921 1037972068 /nfs/dbraw/zinc/97/20/68/1037972068.db2.gz WZMOWKDCABHFRY-UHFFFAOYSA-N -1 1 354.366 2.614 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231909815 1038004150 /nfs/dbraw/zinc/00/41/50/1038004150.db2.gz QCCGGTCUHNXZJD-QWHCGFSZSA-N -1 1 356.850 2.506 20 10 FFCDMM O=S(=O)(N[C@H]1CCN(C2CCC2)C1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251444333 1039134713 /nfs/dbraw/zinc/13/47/13/1039134713.db2.gz CGXUIQORCDZWRH-JTQLQIEISA-N -1 1 365.282 2.604 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(-n2cccn2)cc1 ZINC001259370233 1039948492 /nfs/dbraw/zinc/94/84/92/1039948492.db2.gz GUOKOLWULDCVCX-UHFFFAOYSA-N -1 1 351.334 2.657 20 10 FFCDMM Cc1cc(F)c([N-]S(=O)(=O)c2ccc(Cl)c3nonc32)cc1O ZINC001261073179 1040978400 /nfs/dbraw/zinc/97/84/00/1040978400.db2.gz PYZGWRCBWZMWSC-UHFFFAOYSA-N -1 1 357.750 2.830 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(Cl)cc(F)c1[O-])CC2 ZINC001237621853 1043277472 /nfs/dbraw/zinc/27/74/72/1043277472.db2.gz HJLRLDBUQIVSDW-UHFFFAOYSA-N -1 1 367.808 2.616 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](CO)N(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237940902 1043446214 /nfs/dbraw/zinc/44/62/14/1043446214.db2.gz PCJFUTCDYAMNJZ-NWDGAFQWSA-N -1 1 374.840 2.645 20 10 FFCDMM O=c1cccc(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)c(F)c2[O-])[nH]1 ZINC001279697622 1043488751 /nfs/dbraw/zinc/48/87/51/1043488751.db2.gz OMWZSUQOIJUWFR-GASCZTMLSA-N -1 1 361.392 2.620 20 10 FFCDMM Cc1noc(NC(=O)[C@H]2CC23CN(Cc2c(F)ccc(F)c2[O-])C3)c1C ZINC001279731992 1043547430 /nfs/dbraw/zinc/54/74/30/1043547430.db2.gz BHLGPRDLBRXXDI-GFCCVEGCSA-N -1 1 363.364 2.736 20 10 FFCDMM CCN(C(=O)c1noc2c1CN(Cc1c([O-])cccc1F)CC2)C(C)C ZINC001280008054 1044080423 /nfs/dbraw/zinc/08/04/23/1044080423.db2.gz IKKMVXJIJPCESW-UHFFFAOYSA-N -1 1 361.417 2.948 20 10 FFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1ccc(CN2CCOCC2)o1 ZINC001331771361 1048104346 /nfs/dbraw/zinc/10/43/46/1048104346.db2.gz UQIPHCVEJVUKKK-UHFFFAOYSA-N -1 1 362.773 2.554 20 10 FFCDMM O=C([O-])C[C@H](C[NH2+]Cc1c([O-])cccc1Br)c1ccncc1 ZINC001334409524 1049411838 /nfs/dbraw/zinc/41/18/38/1049411838.db2.gz ZLGCTFUSVHWHKO-GFCCVEGCSA-N -1 1 365.227 2.898 20 10 FFCDMM C[C@@H](O)c1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC001297441412 1050167960 /nfs/dbraw/zinc/16/79/60/1050167960.db2.gz WFBFOJDFOCWIEV-SSDOTTSWSA-N -1 1 357.229 2.595 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC001337385185 1054708725 /nfs/dbraw/zinc/70/87/25/1054708725.db2.gz FSOJGELGONOEQA-AWEZNQCLSA-N -1 1 374.824 2.804 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1nc2c(s1)CCCC2 ZINC001517661409 1060584012 /nfs/dbraw/zinc/58/40/12/1060584012.db2.gz UZUOEKNCILEMIJ-UHFFFAOYSA-N -1 1 365.842 2.636 20 10 FFCDMM Cc1cc(C=O)c([O-])c(C(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1 ZINC001583677123 1079248860 /nfs/dbraw/zinc/24/88/60/1079248860.db2.gz UPZXUNBDDVGOBU-OAHLLOKOSA-N -1 1 368.433 2.841 20 10 FFCDMM Cc1cc(CC(=O)N=c2ccnc3n(C)[n-]cc2-3)c(C)n1-c1ccccc1 ZINC001586219854 1079577218 /nfs/dbraw/zinc/57/72/18/1079577218.db2.gz ZZGQIDWSQBYPAG-UHFFFAOYSA-N -1 1 359.433 2.931 20 10 FFCDMM CSc1nc(C)c(CCC(=O)N(C)Cc2ccc(N(C)C)cc2)c(=O)[n-]1 ZINC000028494858 507728026 /nfs/dbraw/zinc/72/80/26/507728026.db2.gz FVKLLXKXEBUPCU-UHFFFAOYSA-N -1 1 374.510 2.870 20 10 FFCDMM Cc1cc(C(=O)N(C)C[C@@H](C)c2nn[n-]n2)c(C)n1-c1ccc(F)cc1 ZINC000183431895 509785486 /nfs/dbraw/zinc/78/54/86/509785486.db2.gz HVEXEIQSJSKLQR-LLVKDONJSA-N -1 1 356.405 2.622 20 10 FFCDMM CC(C)(C)C(=O)NCCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277635867 510969504 /nfs/dbraw/zinc/96/95/04/510969504.db2.gz XPFYLKMMYCZZAR-UHFFFAOYSA-N -1 1 371.275 2.713 20 10 FFCDMM O=C(c1ccc(F)cc1F)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272297664 511490852 /nfs/dbraw/zinc/49/08/52/511490852.db2.gz PFFCRBZAERREKA-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM COc1ccc2c(c1)c1c(n2CC(=O)Nc2c(C)[n-][nH]c2=O)CCCC1 ZINC000615226604 521322340 /nfs/dbraw/zinc/32/23/40/521322340.db2.gz AGDJLEAWCQAEHE-UHFFFAOYSA-N -1 1 354.410 2.905 20 10 FFCDMM Clc1nsc(NCc2ccc(N3CC=CC3)cc2)c1-c1nnn[n-]1 ZINC000737582813 598973588 /nfs/dbraw/zinc/97/35/88/598973588.db2.gz FVUXQYQODKIZSW-UHFFFAOYSA-N -1 1 359.846 2.965 20 10 FFCDMM Clc1nsc(NCc2ccc(N3CC=CC3)cc2)c1-c1nn[n-]n1 ZINC000737582813 598973590 /nfs/dbraw/zinc/97/35/90/598973590.db2.gz FVUXQYQODKIZSW-UHFFFAOYSA-N -1 1 359.846 2.965 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000739793189 600315542 /nfs/dbraw/zinc/31/55/42/600315542.db2.gz BTBJIHOBGBAYOW-INIZCTEOSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1ccc(F)c(F)c1 ZINC000739793189 600315547 /nfs/dbraw/zinc/31/55/47/600315547.db2.gz BTBJIHOBGBAYOW-INIZCTEOSA-N -1 1 371.767 2.944 20 10 FFCDMM CCOC(=O)N1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000737146716 600375074 /nfs/dbraw/zinc/37/50/74/600375074.db2.gz RBBRMHXAGJOBTL-UHFFFAOYSA-N -1 1 358.394 2.518 20 10 FFCDMM CC(C)Oc1ccc([N-]S(=O)(=O)c2cccc3nonc32)c(F)c1 ZINC000162867378 728949951 /nfs/dbraw/zinc/94/99/51/728949951.db2.gz SOJLZHPOYVJMBY-UHFFFAOYSA-N -1 1 351.359 2.950 20 10 FFCDMM CCC[C@H](C)c1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])n[nH]1 ZINC000743628351 735310767 /nfs/dbraw/zinc/31/07/67/735310767.db2.gz QAYSDLCQIIRJCG-JTQLQIEISA-N -1 1 366.443 2.643 20 10 FFCDMM O=C(CSc1nnnn1-c1ccc(Cl)cc1)c1ccc([O-])c(O)c1 ZINC000006034957 727784318 /nfs/dbraw/zinc/78/43/18/727784318.db2.gz LFJSVUTWVSPZHL-UHFFFAOYSA-N -1 1 362.798 2.702 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c1[O-] ZINC000123685903 728661432 /nfs/dbraw/zinc/66/14/32/728661432.db2.gz NVIJECYTWBELHR-SKDRFNHKSA-N -1 1 354.712 2.841 20 10 FFCDMM CNC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)cc1 ZINC000123894132 728664288 /nfs/dbraw/zinc/66/42/88/728664288.db2.gz JNUONHQLBFJFBO-UHFFFAOYSA-N -1 1 362.451 2.984 20 10 FFCDMM COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000320868017 729751494 /nfs/dbraw/zinc/75/14/94/729751494.db2.gz VUVNOEIAYJWETO-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCOC[C@H]2c2noc(C)n2)c1[O-] ZINC000779634384 738473524 /nfs/dbraw/zinc/47/35/24/738473524.db2.gz XXILPAJDSOCLLE-AWEZNQCLSA-N -1 1 351.790 2.513 20 10 FFCDMM CCN1CCN(c2ccc(CNc3ncc(C(=O)[O-])s3)cc2F)CC1 ZINC000864511506 730855166 /nfs/dbraw/zinc/85/51/66/730855166.db2.gz AGAHCCLOOQZQRM-UHFFFAOYSA-N -1 1 364.446 2.734 20 10 FFCDMM CCO[C@H](C(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000867830561 731231428 /nfs/dbraw/zinc/23/14/28/731231428.db2.gz BXZJZHSBFROLIK-HNNXBMFYSA-N -1 1 372.259 2.603 20 10 FFCDMM O=C(C1=CC(=O)CS1)N1CCN(Cc2ccc([O-])c(Cl)c2)CC1 ZINC000870163006 731477578 /nfs/dbraw/zinc/47/75/78/731477578.db2.gz VRAFTTPPFQBNAH-UHFFFAOYSA-N -1 1 352.843 2.771 20 10 FFCDMM O=S(=O)(NC1CC1)c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000883089371 733331177 /nfs/dbraw/zinc/33/11/77/733331177.db2.gz HXSKGUVSFISQSJ-UHFFFAOYSA-N -1 1 354.378 2.723 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCN(C(=O)N2CCCC2)CC1 ZINC000890757443 734336448 /nfs/dbraw/zinc/33/64/48/734336448.db2.gz DLVGGKGCEMLIEZ-UHFFFAOYSA-N -1 1 365.861 2.590 20 10 FFCDMM CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757754 734336455 /nfs/dbraw/zinc/33/64/55/734336455.db2.gz KPFXIOHNKKCHBQ-QGZVFWFLSA-N -1 1 358.825 2.635 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@]2(CCSC2)C1 ZINC000893752035 734746558 /nfs/dbraw/zinc/74/65/58/734746558.db2.gz IYVWKDUZOGPYPC-BLLLJJGKSA-N -1 1 356.875 2.900 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCOC2(CCOCC2)C1 ZINC000893754965 734746882 /nfs/dbraw/zinc/74/68/82/734746882.db2.gz IYLOHMBZEKBSAX-ZDUSSCGKSA-N -1 1 354.834 2.573 20 10 FFCDMM [O-]c1c(Br)cc(Cl)cc1CN1CCC[C@@H](OCCO)C1 ZINC000894016391 734787081 /nfs/dbraw/zinc/78/70/81/734787081.db2.gz DNWGLHXJFDRANT-GFCCVEGCSA-N -1 1 364.667 2.781 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[N-]S(=O)(=O)c1c(F)cc(F)cc1F ZINC000734501121 734900197 /nfs/dbraw/zinc/90/01/97/734900197.db2.gz DNYNEBKCPNYGMY-UHFFFAOYSA-N -1 1 358.385 2.957 20 10 FFCDMM Cn1cc(-c2ccnc(NCc3cccc(Br)c3[O-])n2)cn1 ZINC000784339123 738880397 /nfs/dbraw/zinc/88/03/97/738880397.db2.gz OMEVVVCAAXDERD-UHFFFAOYSA-N -1 1 360.215 2.957 20 10 FFCDMM C[C@@H]1CN(c2ccc(C[N-]C(=O)C(F)(F)C(F)F)cc2F)C[C@H](C)O1 ZINC000749354761 735716465 /nfs/dbraw/zinc/71/64/65/735716465.db2.gz XGTKDZVODKQPAV-AOOOYVTPSA-N -1 1 366.330 2.956 20 10 FFCDMM CCOc1cc(C(=O)NCCc2ccc(O)c(O)c2)cc(Cl)c1[O-] ZINC000762623933 736846626 /nfs/dbraw/zinc/84/66/26/736846626.db2.gz UTCIVXNGEGWNJG-UHFFFAOYSA-N -1 1 351.786 2.828 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])Nc1nnc2ccccn21 ZINC000765280463 737103941 /nfs/dbraw/zinc/10/39/41/737103941.db2.gz KREMYIGEIMBJGA-UHFFFAOYSA-N -1 1 362.187 2.519 20 10 FFCDMM C[S@@](=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765727377 737149505 /nfs/dbraw/zinc/14/95/05/737149505.db2.gz NBCKOWMJNFVBMI-OAQYLSRUSA-N -1 1 368.252 2.822 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cn(-c2ccccc2)nn1 ZINC000765730611 737150305 /nfs/dbraw/zinc/15/03/05/737150305.db2.gz DQIUBSGYTCDSFP-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc([N+](=O)[O-])cc1 ZINC000765747012 737153242 /nfs/dbraw/zinc/15/32/42/737153242.db2.gz JSVIZOBJKUWTJL-UHFFFAOYSA-N -1 1 351.156 2.993 20 10 FFCDMM Nc1c(C(=O)NCc2cccc(Br)c2[O-])cccc1[N+](=O)[O-] ZINC000765750829 737153754 /nfs/dbraw/zinc/15/37/54/737153754.db2.gz LQCPYFZYSCGJQL-UHFFFAOYSA-N -1 1 366.171 2.575 20 10 FFCDMM O=C(CCC(=O)c1ccccn1)NCc1cccc(Br)c1[O-] ZINC000765753164 737154322 /nfs/dbraw/zinc/15/43/22/737154322.db2.gz NSIOZSNIYUQBOL-UHFFFAOYSA-N -1 1 363.211 2.829 20 10 FFCDMM COc1ccccc1NCC(=O)NCc1cccc(Br)c1[O-] ZINC000765766399 737156406 /nfs/dbraw/zinc/15/64/06/737156406.db2.gz WAEIHVWDWKGBNX-UHFFFAOYSA-N -1 1 365.227 2.892 20 10 FFCDMM Cc1cccc(S(=O)(=O)NCc2cccc(Br)c2[O-])c1 ZINC000766200786 737206461 /nfs/dbraw/zinc/20/64/61/737206461.db2.gz ODEZHKMGAKLDKJ-UHFFFAOYSA-N -1 1 356.241 2.942 20 10 FFCDMM Cc1cc(Cl)ccc1OCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590185 737713506 /nfs/dbraw/zinc/71/35/06/737713506.db2.gz GVKBGGXXLDJDSU-UHFFFAOYSA-N -1 1 350.754 2.865 20 10 FFCDMM O=C(NCc1ccc(N2CCOCC2)c(F)c1)c1ccc(Cl)cc1[O-] ZINC000917707472 737773120 /nfs/dbraw/zinc/77/31/20/737773120.db2.gz IZWXQELLYFHZIV-UHFFFAOYSA-N -1 1 364.804 2.951 20 10 FFCDMM CC(C)CN1C(=O)C(=CN[C@H](C)c2cccc(Cl)c2)C(=O)[N-]C1=S ZINC000920980367 737937911 /nfs/dbraw/zinc/93/79/11/737937911.db2.gz KSMDGRFSPWLAMM-ZEVOCZHWSA-N -1 1 365.886 2.774 20 10 FFCDMM Cc1cc2cccnc2c(S(=O)(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000776435113 738194070 /nfs/dbraw/zinc/19/40/70/738194070.db2.gz YHLMCUYZWOKWGM-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000790408704 739449443 /nfs/dbraw/zinc/44/94/43/739449443.db2.gz HMNXWYCFOVBIHT-UHFFFAOYSA-N -1 1 371.798 2.943 20 10 FFCDMM [O-]c1c(Br)cccc1CNc1ccc(C2(O)COC2)cc1 ZINC000808434198 741225491 /nfs/dbraw/zinc/22/54/91/741225491.db2.gz BRQNXOOQAZOUER-UHFFFAOYSA-N -1 1 350.212 2.985 20 10 FFCDMM Cc1ccn([C@@H](C)CC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000834476229 745846138 /nfs/dbraw/zinc/84/61/38/745846138.db2.gz SAEOSYVEZJOEML-NSHDSACASA-N -1 1 352.232 2.927 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])c1csnn1 ZINC000840461858 747100312 /nfs/dbraw/zinc/10/03/12/747100312.db2.gz PKIRGWSZLPWZDM-SSDOTTSWSA-N -1 1 357.233 2.567 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000840916176 747223986 /nfs/dbraw/zinc/22/39/86/747223986.db2.gz YEQFSWJRHAYLBW-UHFFFAOYSA-N -1 1 367.423 2.665 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000840997731 747252984 /nfs/dbraw/zinc/25/29/84/747252984.db2.gz HXUYOTRDDCLSEE-QKCSRTOESA-N -1 1 350.371 2.527 20 10 FFCDMM COc1c([O-])c(C[N@H+]2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1[N+](=O)[O-] ZINC000840997731 747252988 /nfs/dbraw/zinc/25/29/88/747252988.db2.gz HXUYOTRDDCLSEE-QKCSRTOESA-N -1 1 350.371 2.527 20 10 FFCDMM O=C(COC(=O)[C@@H](C[C@@H]1CCCO1)C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000845316013 748225743 /nfs/dbraw/zinc/22/57/43/748225743.db2.gz FAMCKYHVIKRTFA-WDEREUQCSA-N -1 1 362.300 2.571 20 10 FFCDMM O=C([O-])[C@@H]1C[N@@H+](Cc2cc(Br)cc(F)c2[O-])C[C@H]1C1CC1 ZINC001595191296 952284215 /nfs/dbraw/zinc/28/42/15/952284215.db2.gz KEVLBFAKUMDJOE-NWDGAFQWSA-N -1 1 358.207 2.836 20 10 FFCDMM CC(C)(C)OC(=O)N1CCC(CNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825678831 1013541090 /nfs/dbraw/zinc/54/10/90/1013541090.db2.gz IPGPFESVSCTPMR-UHFFFAOYSA-N -1 1 368.405 2.614 20 10 FFCDMM CN(C(=O)OC(C)(C)C)C1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000825763686 1013951508 /nfs/dbraw/zinc/95/15/08/1013951508.db2.gz BLKCOAJZRWFMFR-UHFFFAOYSA-N -1 1 368.405 2.708 20 10 FFCDMM O=C1c2ccccc2C(=O)c2cc(Nc3cnn4cccnc34)c([O-])cc21 ZINC001205987490 1032096805 /nfs/dbraw/zinc/09/68/05/1032096805.db2.gz SVOHRWUUBMOWDJ-UHFFFAOYSA-N -1 1 356.341 2.954 20 10 FFCDMM O=C([O-])CN(Cc1ccccc1O)C(=O)c1ccc(CN2CCCCC2)o1 ZINC000911486919 982253772 /nfs/dbraw/zinc/25/37/72/982253772.db2.gz AHEZGYWAXOSOKU-UHFFFAOYSA-N -1 1 372.421 2.698 20 10 FFCDMM C[C@H]1CN(Cc2ccc3c(c2)CCN3Cc2ccccc2)C[C@@H](C(=O)[O-])O1 ZINC001599929324 985277004 /nfs/dbraw/zinc/27/70/04/985277004.db2.gz IULMXEODHXLGSB-KKSFZXQISA-N -1 1 366.461 2.923 20 10 FFCDMM C[C@H]1Sc2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2NC1=O ZINC000916607821 989838090 /nfs/dbraw/zinc/83/80/90/989838090.db2.gz VDDXVZLCNHMWNG-SECBINFHSA-N -1 1 373.386 2.570 20 10 FFCDMM CN(C)c1ccc(CN(C(=O)c2nc3ccccc3c(=O)[n-]2)C2CC2)cc1 ZINC000918000751 990317581 /nfs/dbraw/zinc/31/75/81/990317581.db2.gz RTOXFXGYDLXRON-UHFFFAOYSA-N -1 1 362.433 2.794 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc([O-])cc1F ZINC000181155350 991645547 /nfs/dbraw/zinc/64/55/47/991645547.db2.gz MDVZWHAQNZRETL-UHFFFAOYSA-N -1 1 362.376 2.562 20 10 FFCDMM C[N@H+](Cc1ccc(Br)cc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598519915 992667476 /nfs/dbraw/zinc/66/74/76/992667476.db2.gz QHAKHRXOCNBOPC-ZDUSSCGKSA-N -1 1 358.232 2.609 20 10 FFCDMM C[N@@H+](Cc1ccc(Br)cc1[O-])[C@@H](COC1CCC1)C(=O)[O-] ZINC001598519915 992667479 /nfs/dbraw/zinc/66/74/79/992667479.db2.gz QHAKHRXOCNBOPC-ZDUSSCGKSA-N -1 1 358.232 2.609 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc([O-])c1F)c1ccc(N2CCOCC2)cc1 ZINC000809628085 994560947 /nfs/dbraw/zinc/56/09/47/994560947.db2.gz CMOSHEQMSMKUAX-LBPRGKRZSA-N -1 1 362.376 2.998 20 10 FFCDMM CC[N@H+](CCC(=O)OC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000738100219 999616762 /nfs/dbraw/zinc/61/67/62/999616762.db2.gz UZDNQGWBYHKRMQ-UHFFFAOYSA-N -1 1 357.406 2.714 20 10 FFCDMM CC[N@@H+](CCC(=O)OC)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000738100219 999616765 /nfs/dbraw/zinc/61/67/65/999616765.db2.gz UZDNQGWBYHKRMQ-UHFFFAOYSA-N -1 1 357.406 2.714 20 10 FFCDMM C[C@@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H](c2ccco2)C1 ZINC000846255899 1000246591 /nfs/dbraw/zinc/24/65/91/1000246591.db2.gz FYERVEHBTUZMRN-BXUZGUMPSA-N -1 1 356.382 2.699 20 10 FFCDMM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F ZINC000846779384 1000427966 /nfs/dbraw/zinc/42/79/66/1000427966.db2.gz NMEKXMQXRFXJMR-SFHVURJKSA-N -1 1 362.376 2.717 20 10 FFCDMM Cc1ccc(NC(=S)NNc2nc(=O)c3cnn(C(C)(C)C)c3[n-]2)cc1 ZINC000769793538 1000603668 /nfs/dbraw/zinc/60/36/68/1000603668.db2.gz LTJYFKDZOCMBBE-UHFFFAOYSA-N -1 1 371.470 2.909 20 10 FFCDMM CCN(CC)c1ccc(CN(C)C(=O)c2c[n-]c(=O)c([N+](=O)[O-])c2)cc1 ZINC000770105507 1000678302 /nfs/dbraw/zinc/67/83/02/1000678302.db2.gz TXEQVNCZEDHKTQ-UHFFFAOYSA-N -1 1 358.398 2.814 20 10 FFCDMM O=C(NCc1ccc(N2CCCCC2)cc1)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC000770301905 1000741516 /nfs/dbraw/zinc/74/15/16/1000741516.db2.gz XKCJIQNIHJUZLA-UHFFFAOYSA-N -1 1 356.382 2.616 20 10 FFCDMM O=C(N[C@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([O-])cn1 ZINC001148444031 1001151691 /nfs/dbraw/zinc/15/16/91/1001151691.db2.gz NTZISSAUHGBZOR-LBPRGKRZSA-N -1 1 363.364 2.787 20 10 FFCDMM COc1cc(Br)c([O-])c(NC(=O)c2cc(O)c(O)c(O)c2)c1 ZINC001148588355 1001176260 /nfs/dbraw/zinc/17/62/60/1001176260.db2.gz TYIGJTOQUOWTKE-UHFFFAOYSA-N -1 1 370.155 2.532 20 10 FFCDMM COC(=O)[C@@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])[C@@H]1C ZINC000787238217 1001679592 /nfs/dbraw/zinc/67/95/92/1001679592.db2.gz 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COc1cc2nc[nH]c(=O)c2cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193230247 1004429553 /nfs/dbraw/zinc/42/95/53/1004429553.db2.gz SBFWYFLZDIFXEV-UHFFFAOYSA-N -1 1 361.741 2.661 20 10 FFCDMM Cc1c(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(F)cc2F)ccc1O ZINC001195236261 1004913628 /nfs/dbraw/zinc/91/36/28/1004913628.db2.gz QXNNTYHYUKNLQW-UHFFFAOYSA-N -1 1 357.334 2.786 20 10 FFCDMM COc1ccc(NC(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1Cl ZINC001188491872 1006594288 /nfs/dbraw/zinc/59/42/88/1006594288.db2.gz BRHKUOBIQJQFKH-UHFFFAOYSA-N -1 1 350.758 2.764 20 10 FFCDMM O=C(CNC(=O)c1cc(OC(F)(F)F)ccc1F)c1ccc([O-])c(O)c1 ZINC001190679786 1007746463 /nfs/dbraw/zinc/74/64/63/1007746463.db2.gz OGNXLUWJIMFDLS-UHFFFAOYSA-N -1 1 373.258 2.748 20 10 FFCDMM O=C(Cn1ccc2ccc(Cl)cc21)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180972456 1009924107 /nfs/dbraw/zinc/92/41/07/1009924107.db2.gz VTROTFNVSKPZQJ-UHFFFAOYSA-N -1 1 358.781 2.705 20 10 FFCDMM CCCNC(=O)[C@H]1CN(Cc2cc(F)cc(F)c2[O-])c2ccccc2O1 ZINC001181090546 1009965024 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FFCDMM O=C([O-])[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2cc(Cl)ccc2[O-])C1=O ZINC000840998082 1029968104 /nfs/dbraw/zinc/96/81/04/1029968104.db2.gz DGBHNNRNBKITQL-DOTOQJQBSA-N -1 1 374.824 2.562 20 10 FFCDMM O=C([O-])c1ccc(CNCc2ccc(N3CCOCC3)cc2)nc1C1CC1 ZINC000841817629 1030484385 /nfs/dbraw/zinc/48/43/85/1030484385.db2.gz QOQMJWZPGCNCAJ-UHFFFAOYSA-N -1 1 367.449 2.784 20 10 FFCDMM Cc1nc(-c2ccccc2)ncc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784212274 1030513011 /nfs/dbraw/zinc/51/30/11/1030513011.db2.gz OCUMFACPQDSCBP-UHFFFAOYSA-N -1 1 364.357 2.903 20 10 FFCDMM CC(C)C(=O)N1CCC[C@@]2(CN(Cc3cc(F)c(F)cc3[O-])CCO2)C1 ZINC001142517266 1030567195 /nfs/dbraw/zinc/56/71/95/1030567195.db2.gz GYDSXZWEAMLGFZ-LJQANCHMSA-N -1 1 368.424 2.520 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001142525014 1030577458 /nfs/dbraw/zinc/57/74/58/1030577458.db2.gz TVBKHXXPQYUNNZ-UHFFFAOYSA-N -1 1 374.313 2.801 20 10 FFCDMM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142531332 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20 10 FFCDMM Cc1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(C)n1-c1cc(C)cc(C)c1 ZINC001301573294 1050926264 /nfs/dbraw/zinc/92/62/64/1050926264.db2.gz BDRMBJGKDLNLNS-UHFFFAOYSA-N -1 1 366.421 2.842 20 10 FFCDMM C=CC(=O)Nc1ccc([O-])c(C(=O)Nc2cccc(N3CCOCC3)c2)c1 ZINC001544930450 1071711897 /nfs/dbraw/zinc/71/18/97/1071711897.db2.gz ZDXNNIBIJLRQHC-UHFFFAOYSA-N -1 1 367.405 2.606 20 10 FFCDMM Cc1nnnn1/C(=C\c1ccccc1)C(=O)NCc1cccc(Cl)c1[O-] ZINC001457036346 1060259819 /nfs/dbraw/zinc/25/98/19/1060259819.db2.gz GBAIRRKZNOSSIH-YBEGLDIGSA-N -1 1 369.812 2.655 20 10 FFCDMM CNc1nc(C)ccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001467763664 1063845349 /nfs/dbraw/zinc/84/53/49/1063845349.db2.gz KVTBNAWANPAOBQ-UHFFFAOYSA-N -1 1 350.216 2.830 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cn(Cc2cccc(F)c2)nn1 ZINC001472317200 1065012142 /nfs/dbraw/zinc/01/21/42/1065012142.db2.gz ZJOWGHRXRCFAKE-UHFFFAOYSA-N -1 1 360.776 2.755 20 10 FFCDMM COc1ccc(-c2cc(CNC(=O)c3c(F)ccc(O)c3[O-])on2)cc1 ZINC001472597285 1065107316 /nfs/dbraw/zinc/10/73/16/1065107316.db2.gz NLOSMKTZKXJGFG-UHFFFAOYSA-N -1 1 358.325 2.831 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CC(C)C)C(=O)[C@H]2C)c1[O-] ZINC001473409359 1065258353 /nfs/dbraw/zinc/25/83/53/1065258353.db2.gz DUWWVOFWPOFDOU-GFCCVEGCSA-N -1 1 352.862 2.937 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(C(F)F)cc2)c1 ZINC001558614466 1076045412 /nfs/dbraw/zinc/04/54/12/1076045412.db2.gz JKVLWSLCWSBMMX-UHFFFAOYSA-N -1 1 356.350 2.954 20 10 FFCDMM CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC001558913014 1076101086 /nfs/dbraw/zinc/10/10/86/1076101086.db2.gz RAEGHPFHHIVIJV-NSHDSACASA-N -1 1 360.385 2.695 20 10 FFCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000123900297 508755575 /nfs/dbraw/zinc/75/55/75/508755575.db2.gz KJRUNUIVHDAHTH-UHFFFAOYSA-N -1 1 374.462 2.911 20 10 FFCDMM CC(C)OC(=O)CCCNC(=O)NCc1cccc(Br)c1[O-] ZINC000277760928 510972346 /nfs/dbraw/zinc/97/23/46/510972346.db2.gz OLMRZHXFBCQKAH-UHFFFAOYSA-N -1 1 373.247 2.686 20 10 FFCDMM Cc1cccc(C(=O)N2CCCN(C(=O)c3c([O-])c(O)ccc3F)CC2)c1 ZINC000294910684 511219005 /nfs/dbraw/zinc/21/90/05/511219005.db2.gz SGARXHZDBXAWSV-UHFFFAOYSA-N -1 1 372.396 2.534 20 10 FFCDMM CC[C@H]1Oc2cc([C@H](C)NC(=O)c3c(F)ccc(O)c3[O-])ccc2NC1=O ZINC000295368956 511379917 /nfs/dbraw/zinc/37/99/17/511379917.db2.gz RPAIAXOQGUJCPG-LKFCYVNXSA-N -1 1 374.368 2.837 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1 ZINC000295725630 511496880 /nfs/dbraw/zinc/49/68/80/511496880.db2.gz VCDOWDNSOGCODP-SECBINFHSA-N -1 1 373.306 2.930 20 10 FFCDMM CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](C)c2cc(Cl)ccc2O)CC1 ZINC000296272361 511680505 /nfs/dbraw/zinc/68/05/05/511680505.db2.gz DRCAUXREHWIUGH-OIRASMEMSA-N -1 1 373.902 2.883 20 10 FFCDMM O=C(NCCCOCCOCc1ccccc1)c1c(F)ccc(O)c1[O-] ZINC000296745079 511881225 /nfs/dbraw/zinc/88/12/25/511881225.db2.gz KCACMVJDGUMYCD-UHFFFAOYSA-N -1 1 363.385 2.590 20 10 FFCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cnn(C2CC2)c1 ZINC000528862295 516756989 /nfs/dbraw/zinc/75/69/89/516756989.db2.gz MXPLCSZCLBKPJV-MRXNPFEDSA-N -1 1 374.872 2.971 20 10 FFCDMM CCCc1n[n-]c(=S)n1CC(=O)NCCCSc1nccs1 ZINC000114375620 728559953 /nfs/dbraw/zinc/55/99/53/728559953.db2.gz HCSRBMMWZTVYBR-UHFFFAOYSA-N -1 1 357.530 2.648 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c([O-])cccc1Cl ZINC000856211909 730316124 /nfs/dbraw/zinc/31/61/24/730316124.db2.gz CHLSCCLGOOUFSX-UHFFFAOYSA-N -1 1 360.841 2.937 20 10 FFCDMM CN(C)C(=O)O[C@@H]1CCC[N@@H+](Cc2c(O)cccc2Br)C1 ZINC000862383275 730694983 /nfs/dbraw/zinc/69/49/83/730694983.db2.gz OVZZMXJXZIMOEM-LLVKDONJSA-N -1 1 357.248 2.817 20 10 FFCDMM O=S(=O)(C[C@@H]1CCC1(F)F)NCc1cccc(Br)c1[O-] ZINC000867195701 731153544 /nfs/dbraw/zinc/15/35/44/731153544.db2.gz WJVONWUBQTXNRF-VIFPVBQESA-N -1 1 370.215 2.619 20 10 FFCDMM Cn1cc([C@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000874048062 732001410 /nfs/dbraw/zinc/00/14/10/732001410.db2.gz IBQWREKBWHMJQJ-QWRGUYRKSA-N -1 1 367.808 2.609 20 10 FFCDMM COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000781866922 738665889 /nfs/dbraw/zinc/66/58/89/738665889.db2.gz YZLMFWDVPWVJED-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@@H]([C@H]3CCCO3)C2)c1 ZINC000781910351 738671382 /nfs/dbraw/zinc/67/13/82/738671382.db2.gz UPZNCTKCGAIAEC-HUUCEWRRSA-N -1 1 356.260 2.843 20 10 FFCDMM CCOC(=O)[C@H](C[C@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886962896 733865513 /nfs/dbraw/zinc/86/55/13/733865513.db2.gz GTELXYDDKLMFKT-ZBFHGGJFSA-N -1 1 369.845 2.839 20 10 FFCDMM CC(C)CNc1nc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cs1 ZINC000784086169 738860427 /nfs/dbraw/zinc/86/04/27/738860427.db2.gz WKFZNYPUMHYCIS-UHFFFAOYSA-N -1 1 350.396 2.662 20 10 FFCDMM Cc1cn(C(C)(C)C(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000897575949 735250590 /nfs/dbraw/zinc/25/05/90/735250590.db2.gz AAKPPTPQMILEOA-UHFFFAOYSA-N -1 1 352.232 2.711 20 10 FFCDMM O=S(=O)(Nc1cc(Cl)c([O-])cc1F)c1ccnn1CC1CCC1 ZINC000901929355 735871369 /nfs/dbraw/zinc/87/13/69/735871369.db2.gz RGVGBYAFPHNCKB-UHFFFAOYSA-N -1 1 359.810 2.982 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc(F)c1F ZINC000755971580 736294361 /nfs/dbraw/zinc/29/43/61/736294361.db2.gz DBYIFZDPXFUPDO-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)cc1OC ZINC000758773952 736519968 /nfs/dbraw/zinc/51/99/68/736519968.db2.gz KFARSZSJIICLHC-UHFFFAOYSA-N -1 1 365.407 2.721 20 10 FFCDMM COc1ccc(CNC(=O)NCc2cccc(Br)c2[O-])cn1 ZINC000764759295 737046441 /nfs/dbraw/zinc/04/64/41/737046441.db2.gz XEEVRPPDPSUMFR-UHFFFAOYSA-N -1 1 366.215 2.558 20 10 FFCDMM COc1ccc(OCC(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765746677 737152376 /nfs/dbraw/zinc/15/23/76/737152376.db2.gz ICXHVPBAKSKCNA-UHFFFAOYSA-N -1 1 366.211 2.859 20 10 FFCDMM O=C1CCCCN1[C@H]1CCCN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C1 ZINC000769339414 737519616 /nfs/dbraw/zinc/51/96/16/737519616.db2.gz XIRNCSJZORCTKO-AWEZNQCLSA-N -1 1 367.833 2.931 20 10 FFCDMM O=C(C=Cc1ccc(Br)o1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916590054 737713518 /nfs/dbraw/zinc/71/35/18/737713518.db2.gz BUHFVOJTGDQUTL-ZZXKWVIFSA-N -1 1 367.151 2.893 20 10 FFCDMM CC[C@@H](CNC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O)c1ccccc1 ZINC000920979421 737937974 /nfs/dbraw/zinc/93/79/74/737937974.db2.gz LXGFRIHYLILWRQ-LUYJPIOASA-N -1 1 359.495 2.553 20 10 FFCDMM COc1cc(S(=O)(=O)Nc2ccc(O)cc2)c(Cl)cc1C(=O)[O-] ZINC000776744864 738228395 /nfs/dbraw/zinc/22/83/95/738228395.db2.gz PZPIHEPZCYXRJS-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM CC[N@H+](Cc1cc(Br)ccc1O)C[C@H]1CCCS1(=O)=O ZINC000929755161 739018425 /nfs/dbraw/zinc/01/84/25/739018425.db2.gz JQQSICXPGNQEIQ-CYBMUJFWSA-N -1 1 362.289 2.554 20 10 FFCDMM C[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)[C@@H]1OCCc2sccc21 ZINC000796503972 740148248 /nfs/dbraw/zinc/14/82/48/740148248.db2.gz GSLHABYZWDMHEQ-BTDLBPIBSA-N -1 1 362.403 2.835 20 10 FFCDMM Cc1c([N+](=O)[O-])ccc(F)c1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000800052176 740479222 /nfs/dbraw/zinc/47/92/22/740479222.db2.gz JZYSNJZMCLMKNW-UHFFFAOYSA-N -1 1 368.371 2.848 20 10 FFCDMM O=[N+]([O-])c1ccc(Cl)c([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000800930782 740568184 /nfs/dbraw/zinc/56/81/84/740568184.db2.gz RSLKYJGSQSGCPC-UHFFFAOYSA-N -1 1 354.731 2.585 20 10 FFCDMM O=C(NCCc1ccc(O)c(O)c1)c1c([O-])cnc2ccc(Cl)cc21 ZINC000801634193 740638063 /nfs/dbraw/zinc/63/80/63/740638063.db2.gz VFEWHUSSVWMNEP-UHFFFAOYSA-N -1 1 358.781 2.978 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2ccc3n[n-]c(=S)n3c2)cc1 ZINC000825493697 743281654 /nfs/dbraw/zinc/28/16/54/743281654.db2.gz XOYVVGSXIDHHHO-UHFFFAOYSA-N -1 1 355.467 2.794 20 10 FFCDMM CO[C@H]([C@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000836644788 746274615 /nfs/dbraw/zinc/27/46/15/746274615.db2.gz VUFZAPPZIMOUTH-LKFCYVNXSA-N -1 1 357.248 2.767 20 10 FFCDMM Cc1ccncc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000852495926 749877203 /nfs/dbraw/zinc/87/72/03/749877203.db2.gz LZNIXHDOHKCGRH-UHFFFAOYSA-N -1 1 364.243 2.900 20 10 FFCDMM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOCC3)c2)cc1F ZINC000055679099 845338579 /nfs/dbraw/zinc/33/85/79/845338579.db2.gz WMGAUTLJUZPCMB-UHFFFAOYSA-N -1 1 350.415 2.772 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC001594325543 958167421 /nfs/dbraw/zinc/16/74/21/958167421.db2.gz ZIGZFFNRNBQAEY-TZMCWYRMSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@@H](c3cnn(C)c3)C2)cc1Cl ZINC001594325543 958167430 /nfs/dbraw/zinc/16/74/30/958167430.db2.gz ZIGZFFNRNBQAEY-TZMCWYRMSA-N -1 1 363.845 2.778 20 10 FFCDMM CC[C@@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001275951949 1013220860 /nfs/dbraw/zinc/22/08/60/1013220860.db2.gz REORYPRJBAHWNQ-YJYMSZOUSA-N -1 1 368.424 2.520 20 10 FFCDMM O=C1N(Cc2ccncc2)CC[C@@]12CCC[N@H+]2Cc1cccc(F)c1O ZINC001276086759 1013428080 /nfs/dbraw/zinc/42/80/80/1013428080.db2.gz UAKRDVPPSMPDNW-FQEVSTJZSA-N -1 1 355.413 2.693 20 10 FFCDMM CC(=O)N1CC=C(Nc2cc3c(cc2[O-])C(=O)c2ccccc2C3=O)CC1 ZINC001176031725 1013614905 /nfs/dbraw/zinc/61/49/05/1013614905.db2.gz FTAMEHYYUTZRIM-UHFFFAOYSA-N -1 1 362.385 2.716 20 10 FFCDMM O=C(COC(=O)c1ccc(N2CCCCCC2)nc1)c1ccc([O-])c(O)c1 ZINC000782703984 969415561 /nfs/dbraw/zinc/41/55/61/969415561.db2.gz IDJYLXSFGRZFIT-UHFFFAOYSA-N -1 1 370.405 2.913 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2cccc3c(O)cccc23)C(=O)[N-]C1=S ZINC000920978117 990948278 /nfs/dbraw/zinc/94/82/78/990948278.db2.gz XRHKCMPXWCLBHS-NTEUORMPSA-N -1 1 369.446 2.741 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(CCCc3ccccc3)no2)c1 ZINC000184852441 993035745 /nfs/dbraw/zinc/03/57/45/993035745.db2.gz FBSWQGCGUFJPKA-UHFFFAOYSA-N -1 1 373.434 2.989 20 10 FFCDMM COc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(O)cc1SC ZINC001599384247 996915537 /nfs/dbraw/zinc/91/55/37/996915537.db2.gz WRYOENQBAVVAKB-UHFFFAOYSA-N -1 1 369.420 2.622 20 10 FFCDMM Cc1ccc(CCCNC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c(C)c1 ZINC000730983914 997601557 /nfs/dbraw/zinc/60/15/57/997601557.db2.gz YIQNNJMJYQLAAD-GZTJUZNOSA-N -1 1 373.522 2.609 20 10 FFCDMM O=C(N[C@@H]1CCCN(c2ccc(OC(F)F)cc2)C1)c1ccc([O-])cn1 ZINC001148444030 1001151266 /nfs/dbraw/zinc/15/12/66/1001151266.db2.gz NTZISSAUHGBZOR-GFCCVEGCSA-N -1 1 363.364 2.787 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN(c2nccc3sccc32)CC1 ZINC001183659160 1002356845 /nfs/dbraw/zinc/35/68/45/1002356845.db2.gz RXABJGWSMNVMNE-UHFFFAOYSA-N -1 1 373.409 2.809 20 10 FFCDMM COC(=O)c1ccc2ncc(NCC(=O)c3ccc([O-])c(O)c3)cc2c1 ZINC001170322254 1003109816 /nfs/dbraw/zinc/10/98/16/1003109816.db2.gz IGCBMFFREGOJJY-UHFFFAOYSA-N -1 1 352.346 2.727 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@@H](C)[N-]S(=O)(=O)c1ccc(F)nc1F ZINC001191466442 1003858430 /nfs/dbraw/zinc/85/84/30/1003858430.db2.gz QLVYTOPSOAPBHE-GFCCVEGCSA-N -1 1 369.437 2.644 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2ccc(F)c(F)c2)CC1 ZINC001193209341 1004403343 /nfs/dbraw/zinc/40/33/43/1004403343.db2.gz IUQWODKTMNLMGZ-UHFFFAOYSA-N -1 1 368.767 2.992 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@]2(CC(=O)c3ccccc3O2)C1 ZINC000863938077 1010363093 /nfs/dbraw/zinc/36/30/93/1010363093.db2.gz KZVVWWKXABPOHO-HXUWFJFHSA-N -1 1 371.364 2.877 20 10 FFCDMM CC(=O)c1cc(CN2CCOCC2)c([O-])c(CN2CCC(F)(F)CC2)c1 ZINC000794688804 1010493038 /nfs/dbraw/zinc/49/30/38/1010493038.db2.gz SAQFWQBJROTWIY-UHFFFAOYSA-N -1 1 368.424 2.658 20 10 FFCDMM CN1c2ccccc2[C@@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274707112 1011605958 /nfs/dbraw/zinc/60/59/58/1011605958.db2.gz ZASFYJJUDRCLHV-IBGZPJMESA-N -1 1 372.808 2.512 20 10 FFCDMM COCCCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001275229129 1012109486 /nfs/dbraw/zinc/10/94/86/1012109486.db2.gz IRJKVFZTTNELSW-LJQANCHMSA-N -1 1 368.424 2.664 20 10 FFCDMM O=C(CNC(F)(F)COc1ccnc(Cl)c1)c1ccc([O-])c(O)c1 ZINC001159276443 1027332703 /nfs/dbraw/zinc/33/27/03/1027332703.db2.gz INBLYFABCGPNQQ-UHFFFAOYSA-N -1 1 358.728 2.590 20 10 FFCDMM Cc1ccc(CCCNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)s1 ZINC001155232330 1028638859 /nfs/dbraw/zinc/63/88/59/1028638859.db2.gz SHQPVVSGCIKZNZ-UHFFFAOYSA-N -1 1 359.403 2.937 20 10 FFCDMM C[C@H](CC(=O)OCC(=O)c1ccc([O-])c(O)c1)C(=O)c1cccc(F)c1 ZINC000783959758 1030363204 /nfs/dbraw/zinc/36/32/04/1030363204.db2.gz PYTRMLAPVMGKCD-LLVKDONJSA-N -1 1 360.337 2.872 20 10 FFCDMM CCOC(=O)[C@H]1Cn2nccc2[C@H](C)N(Cc2cc(F)c(F)cc2[O-])C1 ZINC001142531458 1030581983 /nfs/dbraw/zinc/58/19/83/1030581983.db2.gz YBDNURXONOJOTE-WCQYABFASA-N -1 1 365.380 2.623 20 10 FFCDMM O=C(COC(=O)c1ccn(-c2ccc(Cl)cc2)n1)c1ccc([O-])c(O)c1 ZINC000784387604 1030598197 /nfs/dbraw/zinc/59/81/97/1030598197.db2.gz YAHPIWBZMIMKDM-UHFFFAOYSA-N -1 1 372.764 2.977 20 10 FFCDMM O=C(CNC(=O)c1cc(Cl)nc2ccccc21)c1ccc([O-])c(O)c1 ZINC001149670955 1031565976 /nfs/dbraw/zinc/56/59/76/1031565976.db2.gz WEIIQFIAMOSPOH-UHFFFAOYSA-N -1 1 356.765 2.912 20 10 FFCDMM C[C@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000831348267 1034044771 /nfs/dbraw/zinc/04/47/71/1034044771.db2.gz YKHCQGREYZHKCP-GFCCVEGCSA-N -1 1 360.385 2.529 20 10 FFCDMM COC(C)(C)CN1CC[C@]2(CCCN2Cc2c([O-])ccc(F)c2F)C1=O ZINC001277098102 1034521758 /nfs/dbraw/zinc/52/17/58/1034521758.db2.gz OIKOVPNYYMVSCD-LJQANCHMSA-N -1 1 368.424 2.662 20 10 FFCDMM Cc1cc(=O)oc2c1ccc([O-])c2CN1CCN(Cc2ccco2)CC1 ZINC001139129329 1034957974 /nfs/dbraw/zinc/95/79/74/1034957974.db2.gz WDFCYUYIZHJVKP-UHFFFAOYSA-N -1 1 354.406 2.718 20 10 FFCDMM CC1(C)OC[C@H](COc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)O1 ZINC001227580739 1035615803 /nfs/dbraw/zinc/61/58/03/1035615803.db2.gz TXXLOJAPQUCJER-NSHDSACASA-N -1 1 354.358 2.698 20 10 FFCDMM CC1=C[C@H](Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)CC(=O)O1 ZINC001228116278 1035943226 /nfs/dbraw/zinc/94/32/26/1035943226.db2.gz XADBOAOZXUENDG-ZDUSSCGKSA-N -1 1 356.330 2.633 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001233308484 1036514133 /nfs/dbraw/zinc/51/41/33/1036514133.db2.gz SKEJGJFMVPHNJZ-INIZCTEOSA-N -1 1 370.243 2.696 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@]3(CCO3)C2)c1 ZINC001233308484 1036514151 /nfs/dbraw/zinc/51/41/51/1036514151.db2.gz SKEJGJFMVPHNJZ-INIZCTEOSA-N -1 1 370.243 2.696 20 10 FFCDMM COC(=O)c1ccccc1N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233335081 1036540283 /nfs/dbraw/zinc/54/02/83/1036540283.db2.gz GRAMRFUPXMGINJ-UHFFFAOYSA-N -1 1 362.376 2.779 20 10 FFCDMM COC[C@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2ncn(C)c21 ZINC001233417119 1036610513 /nfs/dbraw/zinc/61/05/13/1036610513.db2.gz JERSGAUCVIVEFD-GFCCVEGCSA-N -1 1 355.360 2.890 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2O)C(C)(C)C1 ZINC001231452222 1037591583 /nfs/dbraw/zinc/59/15/83/1037591583.db2.gz HMLCVENRYFDTLL-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM COCc1cnc2n1CCN(Cc1c([O-])cc(OC)cc1Cl)[C@@H]2C ZINC001236798073 1038277451 /nfs/dbraw/zinc/27/74/51/1038277451.db2.gz SFMNRAYZVCWSJS-LLVKDONJSA-N -1 1 351.834 2.974 20 10 FFCDMM COC[C@H]1c2nnn(C)c2CCN1Cc1c([O-])ccc(Cl)c1Cl ZINC001237080004 1038438780 /nfs/dbraw/zinc/43/87/80/1038438780.db2.gz QTQSIUVAEXATCB-LBPRGKRZSA-N -1 1 357.241 2.573 20 10 FFCDMM Cc1cc(C)nc(N2CCN(Cc3c([O-])ccc(F)c3Cl)CC2)n1 ZINC001237125461 1038450650 /nfs/dbraw/zinc/45/06/50/1038450650.db2.gz RKPUUYVGHWJFIU-UHFFFAOYSA-N -1 1 350.825 2.914 20 10 FFCDMM O=S(=O)(NCCN1CCCCCC1)c1cc(Cl)cc(Cl)c1[O-] ZINC001251429518 1039127046 /nfs/dbraw/zinc/12/70/46/1039127046.db2.gz SJAKYELAIATLKV-UHFFFAOYSA-N -1 1 367.298 2.853 20 10 FFCDMM O=C(Nc1cccnc1)N1CCC12CN(Cc1c([O-])ccc(F)c1F)C2 ZINC001279488530 1043173163 /nfs/dbraw/zinc/17/31/63/1043173163.db2.gz JQCJGHYRWJLSFE-UHFFFAOYSA-N -1 1 360.364 2.558 20 10 FFCDMM Nc1cccc(Cl)c1[N-]S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC001237670891 1043301163 /nfs/dbraw/zinc/30/11/63/1043301163.db2.gz SSAZTHMNMLOCGB-UHFFFAOYSA-N -1 1 359.194 2.913 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCc2cccnc2C1 ZINC001237784081 1043355902 /nfs/dbraw/zinc/35/59/02/1043355902.db2.gz RVFXJYLETBENDX-UHFFFAOYSA-N -1 1 366.202 2.950 20 10 FFCDMM O=S(=O)([N-]Cc1c(O)cccc1F)c1c(Cl)ccnc1Cl ZINC001309878008 1043568630 /nfs/dbraw/zinc/56/86/30/1043568630.db2.gz AFASJTXKSARDGW-UHFFFAOYSA-N -1 1 351.186 2.712 20 10 FFCDMM O=C(NCCC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC001320789927 1045468943 /nfs/dbraw/zinc/46/89/43/1045468943.db2.gz LNHFKTAJYWAHBD-UHFFFAOYSA-N -1 1 357.248 2.771 20 10 FFCDMM Cn1cc(-c2ccc(NC(=O)NCc3cccc(Cl)c3[O-])nn2)cn1 ZINC001466371325 1063412971 /nfs/dbraw/zinc/41/29/71/1063412971.db2.gz WCJFRDVXOAFKKZ-UHFFFAOYSA-N -1 1 358.789 2.558 20 10 FFCDMM Cn1cc(NC(=O)NCc2cccc(Cl)c2[O-])c(Br)n1 ZINC001466995924 1063612297 /nfs/dbraw/zinc/61/22/97/1063612297.db2.gz CQEMURFQZCTNQR-UHFFFAOYSA-N -1 1 359.611 2.863 20 10 FFCDMM CCOC(=O)[C@H](C(=O)NCc1cccc(Br)c1[O-])C(C)C ZINC001467764035 1063845191 /nfs/dbraw/zinc/84/51/91/1063845191.db2.gz NIMBLKREPCLRKD-LBPRGKRZSA-N -1 1 358.232 2.606 20 10 FFCDMM CN(CC(=O)Nc1ccccc1Cl)C(=O)c1c([O-])c(O)ccc1F ZINC001472483417 1065077069 /nfs/dbraw/zinc/07/70/69/1065077069.db2.gz DDISRRVSZYWIRZ-UHFFFAOYSA-N -1 1 352.749 2.601 20 10 FFCDMM Cc1cc(NCc2cc(F)cc(F)c2[O-])ccc1S(=O)(=O)N(C)C ZINC001474286981 1065485098 /nfs/dbraw/zinc/48/50/98/1065485098.db2.gz RYJRMUVIEDFBRW-UHFFFAOYSA-N -1 1 356.394 2.841 20 10 FFCDMM COc1ccc(-n2cc(C(=O)NCc3cccc(Cl)c3[O-])nn2)cc1 ZINC001558757868 1076070279 /nfs/dbraw/zinc/07/02/79/1076070279.db2.gz VWRVHWJJLKEKQY-UHFFFAOYSA-N -1 1 358.785 2.565 20 10 FFCDMM O=C(NCCOc1ccc(Br)cc1)c1c(F)ccc(O)c1[O-] ZINC001558921651 1076102377 /nfs/dbraw/zinc/10/23/77/1076102377.db2.gz UNLZRURVIIDFNP-UHFFFAOYSA-N -1 1 370.174 2.808 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2nc(F)c(F)cc2F)CC1 ZINC001560753571 1076296805 /nfs/dbraw/zinc/29/68/05/1076296805.db2.gz JNKHZZONCMAEME-UHFFFAOYSA-N -1 1 359.298 2.805 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)NCc1nc([O-])cc(=O)[nH]1 ZINC001585944562 1079516798 /nfs/dbraw/zinc/51/67/98/1079516798.db2.gz DYRZZYACOVHAAX-UHFFFAOYSA-N -1 1 352.394 2.534 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCCCc3ccccc32)c1 ZINC000094106770 508169762 /nfs/dbraw/zinc/16/97/62/508169762.db2.gz KSARMAUHLHOOMT-UHFFFAOYSA-N -1 1 360.435 2.747 20 10 FFCDMM CC1(C)[C@H](NC(=O)NCc2cccc(Br)c2[O-])[C@H]2CCO[C@@H]21 ZINC000277481214 510963359 /nfs/dbraw/zinc/96/33/59/510963359.db2.gz PQRDWTOOBRTYEF-HONMWMINSA-N -1 1 369.259 2.767 20 10 FFCDMM O=C(NCC[C@@H]1CCCCO1)NCc1cccc(Br)c1[O-] ZINC000277458588 510963539 /nfs/dbraw/zinc/96/35/39/510963539.db2.gz NVFWSQOTBLUMKE-LBPRGKRZSA-N -1 1 357.248 2.913 20 10 FFCDMM CC(C)(C)OC(=O)NCCC(=O)NCc1cccc(Br)c1[O-] ZINC000277604051 510967214 /nfs/dbraw/zinc/96/72/14/510967214.db2.gz UOPCZJKQNMECMU-UHFFFAOYSA-N -1 1 373.247 2.686 20 10 FFCDMM C[C@@H]1COCC[C@@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000286690022 511030590 /nfs/dbraw/zinc/03/05/90/511030590.db2.gz CXUKZCUKZBLYDR-GHMZBOCLSA-N -1 1 357.248 2.627 20 10 FFCDMM C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294871699 511205708 /nfs/dbraw/zinc/20/57/08/511205708.db2.gz DWNAPSAQUFHFSV-QWRGUYRKSA-N -1 1 368.405 2.612 20 10 FFCDMM CCN(CC)C(=O)c1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000294941072 511229513 /nfs/dbraw/zinc/22/95/13/511229513.db2.gz VGUDRYRACORBDT-UHFFFAOYSA-N -1 1 360.385 2.649 20 10 FFCDMM Cc1cccnc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000296737995 511876540 /nfs/dbraw/zinc/87/65/40/511876540.db2.gz NABDGFQISGOZCG-UHFFFAOYSA-N -1 1 364.243 2.900 20 10 FFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C2CCOCC2)c1[O-] ZINC000825946771 601422561 /nfs/dbraw/zinc/42/25/61/601422561.db2.gz PKACALVGPAMLTE-UHFFFAOYSA-N -1 1 355.818 2.704 20 10 FFCDMM O=C([O-])N[C@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738655707 602268123 /nfs/dbraw/zinc/26/81/23/602268123.db2.gz OHMBXGCDTCFNIV-AWEZNQCLSA-N -1 1 370.405 2.561 20 10 FFCDMM O=C([O-])N1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(Br)c1[O-] ZINC000834094981 606062077 /nfs/dbraw/zinc/06/20/77/606062077.db2.gz JCDIVVYCQUXHFX-NEPJUHHUSA-N -1 1 355.232 2.871 20 10 FFCDMM O=S(=O)([N-]c1cccc(N2CCCC2)c1)c1ccc2c(c1)OCCO2 ZINC000041371805 727939652 /nfs/dbraw/zinc/93/96/52/727939652.db2.gz CIRYOBBPGJLFBU-UHFFFAOYSA-N -1 1 360.435 2.859 20 10 FFCDMM O=S(=O)([N-]c1ccc(O)cc1F)c1cnn(-c2ccccc2F)c1 ZINC000181625865 729253502 /nfs/dbraw/zinc/25/35/02/729253502.db2.gz SSOAYIDSHJRNLE-UHFFFAOYSA-N -1 1 351.334 2.657 20 10 FFCDMM Cc1ccc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)cc1F ZINC000184839787 729334622 /nfs/dbraw/zinc/33/46/22/729334622.db2.gz IINBLZDRWNASNQ-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM C[C@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000857864246 730413174 /nfs/dbraw/zinc/41/31/74/730413174.db2.gz GJADKZJGVIURBU-CABZTGNLSA-N -1 1 364.243 2.860 20 10 FFCDMM C[C@H]1CCc2nc(C(=O)NCc3cccc(Br)c3[O-])cn2C1 ZINC000857950183 730414502 /nfs/dbraw/zinc/41/45/02/730414502.db2.gz KCCKRLPGZIXFNY-JTQLQIEISA-N -1 1 364.243 2.864 20 10 FFCDMM C[C@@H](OC(C)(C)C)[C@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-] ZINC000864511144 730855188 /nfs/dbraw/zinc/85/51/88/730855188.db2.gz PPHJMBIMYXZCLN-RNCFNFMXSA-N -1 1 360.248 2.901 20 10 FFCDMM CO[C@@H](C[C@@H]([NH2+]Cc1c([O-])cccc1Br)C(=O)[O-])C1CC1 ZINC000864516468 730855651 /nfs/dbraw/zinc/85/56/51/730855651.db2.gz NNYCLKMHRJPBOO-OCCSQVGLSA-N -1 1 358.232 2.513 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCCn2nccc21 ZINC000869218380 731376036 /nfs/dbraw/zinc/37/60/36/731376036.db2.gz MCPKUDVFZQXUJP-LBPRGKRZSA-N -1 1 365.231 2.686 20 10 FFCDMM O=C(CSc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc([O-])c(O)c1 ZINC000781935313 738674327 /nfs/dbraw/zinc/67/43/27/738674327.db2.gz GBORIDGHGHFJMN-UHFFFAOYSA-N -1 1 363.347 2.524 20 10 FFCDMM C[C@]1(CS(=O)(=O)NCc2cccc(Br)c2[O-])CC1(F)F ZINC000882131902 733176707 /nfs/dbraw/zinc/17/67/07/733176707.db2.gz OCYKYNXKTYLTOT-LLVKDONJSA-N -1 1 370.215 2.619 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCN(C(=O)c2ccccc2)C1 ZINC000890762834 734337189 /nfs/dbraw/zinc/33/71/89/734337189.db2.gz KGSMIOZKXWOMDU-HNNXBMFYSA-N -1 1 358.825 2.824 20 10 FFCDMM CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893477954 734706220 /nfs/dbraw/zinc/70/62/20/734706220.db2.gz LQDIYJWNXIHCKZ-RFIQDPTOSA-N -1 1 358.891 2.925 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000893697646 734738011 /nfs/dbraw/zinc/73/80/11/734738011.db2.gz RFDMTXWZDOAIKI-CQSZACIVSA-N -1 1 365.861 2.636 20 10 FFCDMM COc1cc(F)c(S(=O)(=O)[N-]Cc2ccc(N(C)C)cc2C)c(F)c1 ZINC000734503000 734900723 /nfs/dbraw/zinc/90/07/23/734900723.db2.gz QBNPHKNIXXQRIA-UHFFFAOYSA-N -1 1 370.421 2.826 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CCC[C@@H](n2ccnn2)C1 ZINC000895053645 734958116 /nfs/dbraw/zinc/95/81/16/734958116.db2.gz QJHBLZPJXONDNP-GFCCVEGCSA-N -1 1 355.211 2.722 20 10 FFCDMM CCN(CC)C(=O)N1CCN(Cc2cc(Cl)cc(C(C)=O)c2[O-])CC1 ZINC000750036430 735767781 /nfs/dbraw/zinc/76/77/81/735767781.db2.gz OMCVFTDMRRXMHE-UHFFFAOYSA-N -1 1 367.877 2.828 20 10 FFCDMM COC(=O)C1(CS(=O)(=O)Nc2cc(F)c([O-])cc2Cl)CCCC1 ZINC000901963373 735880274 /nfs/dbraw/zinc/88/02/74/735880274.db2.gz RLIAMKODSBSAFC-UHFFFAOYSA-N -1 1 365.810 2.660 20 10 FFCDMM C[C@@H](NCc1nnc2n1CCC2)c1cc(Br)cc(F)c1[O-] ZINC000756391245 736327319 /nfs/dbraw/zinc/32/73/19/736327319.db2.gz LDLQHDIWEQPTBH-MRVPVSSYSA-N -1 1 355.211 2.682 20 10 FFCDMM CC(C)Nc1cccc(F)c1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000765651203 737141322 /nfs/dbraw/zinc/14/13/22/737141322.db2.gz YGPIHORONPQCTM-UHFFFAOYSA-N -1 1 350.375 2.983 20 10 FFCDMM CN(C)c1ncccc1C(=O)NCc1cccc(Br)c1[O-] ZINC000765734997 737150820 /nfs/dbraw/zinc/15/08/20/737150820.db2.gz BMMGVUHYGHMIBY-UHFFFAOYSA-N -1 1 350.216 2.546 20 10 FFCDMM Cc1noc2ncc(C(=O)NCc3cccc(Br)c3[O-])cc12 ZINC000765747102 737152971 /nfs/dbraw/zinc/15/29/71/737152971.db2.gz LQPCAALUIZISAD-UHFFFAOYSA-N -1 1 362.183 2.929 20 10 FFCDMM CC(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])n(C)n1 ZINC000765757681 737154722 /nfs/dbraw/zinc/15/47/22/737154722.db2.gz SSDQDSHRFPAQAO-UHFFFAOYSA-N -1 1 352.232 2.942 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cn2ccnc2s1 ZINC000765770258 737156884 /nfs/dbraw/zinc/15/68/84/737156884.db2.gz NPSYXUNDTQAVAX-UHFFFAOYSA-N -1 1 352.213 2.794 20 10 FFCDMM Cn1cnc2cc(C(=O)NCc3cccc(Br)c3[O-])ccc21 ZINC000765770404 737157044 /nfs/dbraw/zinc/15/70/44/737157044.db2.gz QJFRJHNQOGYLSJ-UHFFFAOYSA-N -1 1 360.211 2.971 20 10 FFCDMM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(N(C)C)cc2)o1 ZINC000773085619 737869664 /nfs/dbraw/zinc/86/96/64/737869664.db2.gz ZGHWOTDDGQYIFO-GFCCVEGCSA-N -1 1 366.439 2.562 20 10 FFCDMM COc1c([O-])c(CN[C@@H](CC(C)C)C(=O)OC(C)C)ccc1[N+](=O)[O-] ZINC000775099880 738061688 /nfs/dbraw/zinc/06/16/88/738061688.db2.gz JUEVULOPBWYVNL-ZDUSSCGKSA-N -1 1 354.403 2.765 20 10 FFCDMM CCOC(=O)c1nn(C)cc1CNCc1cc(Cl)cc(Cl)c1[O-] ZINC000809776166 741342521 /nfs/dbraw/zinc/34/25/21/741342521.db2.gz XJPWQXUMVWKYTN-UHFFFAOYSA-N -1 1 358.225 2.899 20 10 FFCDMM O=C(Nc1n[n-]c(C2=S=CC=C2)n1)c1ccc2c(c1)CCCCC2=O ZINC000810118698 741389371 /nfs/dbraw/zinc/38/93/71/741389371.db2.gz BJAUDACPRKAHMJ-UHFFFAOYSA-N -1 1 352.419 2.592 20 10 FFCDMM O=C(Nc1nc(C2=S=CC=C2)n[n-]1)c1ccc2c(c1)CCCCC2=O ZINC000810118698 741389375 /nfs/dbraw/zinc/38/93/75/741389375.db2.gz BJAUDACPRKAHMJ-UHFFFAOYSA-N -1 1 352.419 2.592 20 10 FFCDMM C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(C(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000817769969 742210225 /nfs/dbraw/zinc/21/02/25/742210225.db2.gz XIQQLSOXPYZCFX-QWRGUYRKSA-N -1 1 353.390 2.677 20 10 FFCDMM Cc1cc(C2(C(=O)NCc3cccc(Br)c3[O-])CC2)on1 ZINC000822457785 742736300 /nfs/dbraw/zinc/73/63/00/742736300.db2.gz CBKZHFUNOHORJE-UHFFFAOYSA-N -1 1 351.200 2.799 20 10 FFCDMM Cc1ccc(CCNC(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000836685440 746284686 /nfs/dbraw/zinc/28/46/86/746284686.db2.gz ZZXBJAWCYXLXFY-UHFFFAOYSA-N -1 1 364.243 2.900 20 10 FFCDMM CN1CCC(N2C(=O)/C(=C\c3ccc(C(=O)[O-])cc3)SC2=S)CC1 ZINC001593775371 954603273 /nfs/dbraw/zinc/60/32/73/954603273.db2.gz MCVDSUKVEGHGSB-GXDHUFHOSA-N -1 1 362.476 2.680 20 10 FFCDMM O=C1N(C2CCCC2)C[C@@]2(F)CN(Cc3c([O-])cccc3F)C[C@@]12F ZINC001276031141 1013296734 /nfs/dbraw/zinc/29/67/34/1013296734.db2.gz DSCICYVMULZDQN-ZWKOTPCHSA-N -1 1 354.372 2.548 20 10 FFCDMM COc1ccccc1[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCO1 ZINC000877756217 1014715121 /nfs/dbraw/zinc/71/51/21/1014715121.db2.gz SSEGFPYXZMSJRT-KRWDZBQOSA-N -1 1 374.393 2.891 20 10 FFCDMM CC(=O)c1ccc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000916590491 989831747 /nfs/dbraw/zinc/83/17/47/989831747.db2.gz GAVTUPSBPCARJP-UHFFFAOYSA-N -1 1 372.373 2.886 20 10 FFCDMM CO[C@@H]1CCC[C@@H]([C@H]([NH2+]Cc2cc(Br)ccc2[O-])C(=O)[O-])C1 ZINC001599109469 997540592 /nfs/dbraw/zinc/54/05/92/997540592.db2.gz QNTUWEASVPVSSQ-YVLXSGLVSA-N -1 1 372.259 2.903 20 10 FFCDMM COC(=O)[C@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738060295 999616868 /nfs/dbraw/zinc/61/68/68/999616868.db2.gz FANRIJWDLGGFFL-HNNXBMFYSA-N -1 1 369.417 2.714 20 10 FFCDMM COC(=O)[C@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738060295 999616869 /nfs/dbraw/zinc/61/68/69/999616869.db2.gz FANRIJWDLGGFFL-HNNXBMFYSA-N -1 1 369.417 2.714 20 10 FFCDMM C[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@@H](c2ccco2)C1 ZINC000846255909 1000246281 /nfs/dbraw/zinc/24/62/81/1000246281.db2.gz FYERVEHBTUZMRN-SMDDNHRTSA-N -1 1 356.382 2.699 20 10 FFCDMM CC(C)=CCN1C[C@@]2(F)CN(Cc3cc(F)c(F)cc3[O-])C[C@@]2(F)C1=O ZINC001276193220 1016508729 /nfs/dbraw/zinc/50/87/29/1016508729.db2.gz WTMFRERRJIHMTM-ZWKOTPCHSA-N -1 1 372.362 2.711 20 10 FFCDMM CC(C)NC(=O)Nc1ccc(CNC(=O)c2c(F)ccc(O)c2[O-])cc1 ZINC000789957477 1002237368 /nfs/dbraw/zinc/23/73/68/1002237368.db2.gz PRPSSMSPPNOJIC-UHFFFAOYSA-N -1 1 361.373 2.697 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1nc(-c2cccc(F)c2)no1 ZINC000790071520 1002264939 /nfs/dbraw/zinc/26/49/39/1002264939.db2.gz WOZCEOZQDUSHSE-QMMMGPOBSA-N -1 1 361.304 2.917 20 10 FFCDMM O=C(CNc1cccn(-c2ccccc2F)c1=O)c1ccc([O-])c(O)c1 ZINC001170321263 1003110651 /nfs/dbraw/zinc/11/06/51/1003110651.db2.gz YSFDULULXLKNTG-UHFFFAOYSA-N -1 1 354.337 2.683 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)c1cccc(Br)n1 ZINC001196314120 1003731943 /nfs/dbraw/zinc/73/19/43/1003731943.db2.gz PZIMGPRQJYDWMT-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM CCCCOC(=O)c1ccccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001192622990 1004224818 /nfs/dbraw/zinc/22/48/18/1004224818.db2.gz ZWQHLKKZFMNDTM-UHFFFAOYSA-N -1 1 371.389 2.667 20 10 FFCDMM COC(=O)c1cnc(NC(=O)c2ccc(O)c([O-])c2Cl)c(Cl)c1 ZINC001193209286 1004403370 /nfs/dbraw/zinc/40/33/70/1004403370.db2.gz HYFZSKOOIXVAOY-UHFFFAOYSA-N -1 1 357.149 2.839 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@@H](F)[C@@](O)(C(F)(F)F)CC1 ZINC001193219648 1004407291 /nfs/dbraw/zinc/40/72/91/1004407291.db2.gz LTVPUKYJHMVHAZ-NOZJJQNGSA-N -1 1 371.714 2.619 20 10 FFCDMM CCOC(=O)C[C@@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C[C@@H]1C ZINC001193232431 1004411721 /nfs/dbraw/zinc/41/17/21/1004411721.db2.gz JBYXKTIRPOMIAJ-QWRGUYRKSA-N -1 1 355.818 2.803 20 10 FFCDMM C[C@@](O)(C1CCN(C(=O)c2ccc(O)c([O-])c2Cl)CC1)C(F)(F)F ZINC001193231939 1004411791 /nfs/dbraw/zinc/41/17/91/1004411791.db2.gz BVQKHFGGYXPKLR-CQSZACIVSA-N -1 1 367.751 2.917 20 10 FFCDMM Cc1ccc2c(C=CC(=O)NCC(=O)c3ccc([O-])c(O)c3)c[nH]c2c1 ZINC001178495733 1008991255 /nfs/dbraw/zinc/99/12/55/1008991255.db2.gz JQMNSUJONLCQTI-QPJJXVBHSA-N -1 1 350.374 2.900 20 10 FFCDMM O=C(CCc1nc(-c2ccncc2)no1)NCc1cccc(Cl)c1[O-] ZINC001180411337 1009686694 /nfs/dbraw/zinc/68/66/94/1009686694.db2.gz WORYKAVFGNPGSC-UHFFFAOYSA-N -1 1 358.785 2.740 20 10 FFCDMM O=C(CCNC(=O)c1cc2ccccc2[nH]1)NCc1cccc(Cl)c1[O-] ZINC001180420630 1009689558 /nfs/dbraw/zinc/68/95/58/1009689558.db2.gz NFWMIRWQPYQSJV-UHFFFAOYSA-N -1 1 371.824 2.963 20 10 FFCDMM O=C(NC[C@@H]1CCCN(C(=O)c2c(F)ccc(O)c2[O-])C1)c1ccccc1 ZINC000826652297 1010034754 /nfs/dbraw/zinc/03/47/54/1010034754.db2.gz BIFUNBUVLZKVAR-ZDUSSCGKSA-N -1 1 372.396 2.519 20 10 FFCDMM COc1cc(CC2CN(C(=O)c3c(F)ccc(O)c3[O-])C2)cc(OC)c1 ZINC000826672064 1010231251 /nfs/dbraw/zinc/23/12/51/1010231251.db2.gz WCVZYAQOOCSKET-UHFFFAOYSA-N -1 1 361.369 2.569 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)N(C(=O)C2CC2)CC3)ccc1O ZINC000901907442 1019580227 /nfs/dbraw/zinc/58/02/27/1019580227.db2.gz MTFXOMKZYPSKCT-UHFFFAOYSA-N -1 1 372.446 2.801 20 10 FFCDMM CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@@H]1Oc1ccccc1 ZINC000828862706 1032877206 /nfs/dbraw/zinc/87/72/06/1032877206.db2.gz XPQRQPASXUQERU-SIIHOXLZSA-N -1 1 361.369 2.592 20 10 FFCDMM CC(C)Cn1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C(F)F)n1 ZINC000837899600 1026096376 /nfs/dbraw/zinc/09/63/76/1026096376.db2.gz UDPTUPXMPPUKAI-UHFFFAOYSA-N -1 1 368.336 2.928 20 10 FFCDMM O=C(CNc1ncccc1C(=O)NC1CCCCC1)c1ccc([O-])c(O)c1 ZINC001159271959 1027331173 /nfs/dbraw/zinc/33/11/73/1027331173.db2.gz HLMOJUNPFQYJKP-UHFFFAOYSA-N -1 1 369.421 2.850 20 10 FFCDMM COc1cc2nc(NCC(=O)c3ccc([O-])c(O)c3)ccc2c(OC)c1 ZINC001159280329 1027335258 /nfs/dbraw/zinc/33/52/58/1027335258.db2.gz LDHJTRLLFQMLBL-UHFFFAOYSA-N -1 1 354.362 2.958 20 10 FFCDMM NC(=S)c1cnc(NCC(=O)c2ccc([O-])c(O)c2)c2sccc21 ZINC001159280280 1027335315 /nfs/dbraw/zinc/33/53/15/1027335315.db2.gz JHTMRTSRTCXCST-UHFFFAOYSA-N -1 1 359.432 2.637 20 10 FFCDMM O=C(NCc1sccc1Cl)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155234637 1028640424 /nfs/dbraw/zinc/64/04/24/1028640424.db2.gz QHTPNGMENRQLOT-UHFFFAOYSA-N -1 1 351.767 2.849 20 10 FFCDMM COc1ccc([C@H](C)NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c(F)c1 ZINC001155234534 1028640455 /nfs/dbraw/zinc/64/04/55/1028640455.db2.gz OTPLQFFXOFUTNE-VIFPVBQESA-N -1 1 373.336 2.843 20 10 FFCDMM CC1=NN(c2ccc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cc2)CC1 ZINC000782882932 1029844294 /nfs/dbraw/zinc/84/42/94/1029844294.db2.gz DZCPGPCMBSYMAU-UHFFFAOYSA-N -1 1 354.362 2.724 20 10 FFCDMM Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)cs2)n1C ZINC000784400065 1030602481 /nfs/dbraw/zinc/60/24/81/1030602481.db2.gz BGVNXQIIJIIZRF-UHFFFAOYSA-N -1 1 372.402 2.908 20 10 FFCDMM COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1c(O)cccc1Cl ZINC001140341706 1035444518 /nfs/dbraw/zinc/44/45/18/1035444518.db2.gz DFIPJGUQHLVORP-SFHVURJKSA-N -1 1 374.868 2.905 20 10 FFCDMM [O-]c1cc(F)cc(F)c1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001140580977 1035661604 /nfs/dbraw/zinc/66/16/04/1035661604.db2.gz OFXYIMJHQCOUSO-AYBZRNKSSA-N -1 1 362.376 2.876 20 10 FFCDMM Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O[C@H](C)C[N+](C)(C)C)c1C2=O ZINC001227994587 1035859695 /nfs/dbraw/zinc/85/96/95/1035859695.db2.gz NOMIMJYVUHTVAG-GFCCVEGCSA-O -1 1 370.425 2.655 20 10 FFCDMM O=C1CC(Oc2cc([O-])cc3c2C(=O)C[C@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228194740 1035984534 /nfs/dbraw/zinc/98/45/34/1035984534.db2.gz QTWYDLQYTCETCL-MRXNPFEDSA-N -1 1 356.330 2.620 20 10 FFCDMM COC(=O)[C@H]1C[C@H](C)CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031331 1036272229 /nfs/dbraw/zinc/27/22/29/1036272229.db2.gz BWKYVDATBRKUIT-UWVGGRQHSA-N -1 1 360.223 2.925 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2cccnc2)c1 ZINC001233305792 1036512180 /nfs/dbraw/zinc/51/21/80/1036512180.db2.gz TUVARHWDZXCZEN-UHFFFAOYSA-N -1 1 365.227 2.968 20 10 FFCDMM O=C1NCCN(Cc2c([O-])ccc(F)c2F)[C@@H]1c1ccc(Cl)cc1 ZINC001233336507 1036543836 /nfs/dbraw/zinc/54/38/36/1036543836.db2.gz ODSUXJNDPUYBNP-MRXNPFEDSA-N -1 1 352.768 2.997 20 10 FFCDMM O=C1CN(Cc2cccc(C(F)(F)F)c2[O-])CCN1c1ccccn1 ZINC001233418910 1036613399 /nfs/dbraw/zinc/61/33/99/1036613399.db2.gz BGPCAMCGIGGELO-UHFFFAOYSA-N -1 1 351.328 2.655 20 10 FFCDMM C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)N1Cc1ccc(C(=O)[O-])cc1O ZINC001231447406 1037585177 /nfs/dbraw/zinc/58/51/77/1037585177.db2.gz SQIBZOYVAPFDLA-BETUJISGSA-N -1 1 364.442 2.920 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1(C)C ZINC001231564902 1037689214 /nfs/dbraw/zinc/68/92/14/1037689214.db2.gz JOFSYWRVTUWBQF-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1Cc1cc(C(=O)[O-])ccc1O ZINC001231566340 1037692209 /nfs/dbraw/zinc/69/22/09/1037692209.db2.gz YMHWFXPEMKYVLF-STQMWFEESA-N -1 1 364.442 2.920 20 10 FFCDMM CC(C)=CCN1CC2(CN(Cc3c([O-])ccc(F)c3Cl)C2)OCC1=O ZINC001278023317 1038334468 /nfs/dbraw/zinc/33/44/68/1038334468.db2.gz RSIGXQFKNJEIEB-UHFFFAOYSA-N -1 1 368.836 2.564 20 10 FFCDMM COC(=O)[C@H]1COCCC12CN(Cc1c([O-])ccc(Cl)c1Cl)C2 ZINC001237085039 1038439652 /nfs/dbraw/zinc/43/96/52/1038439652.db2.gz SGWOPVTWDJVUBW-LLVKDONJSA-N -1 1 360.237 2.711 20 10 FFCDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(N(C)C)c(F)c1 ZINC001251972780 1039385105 /nfs/dbraw/zinc/38/51/05/1039385105.db2.gz NLHISBILOBDRRD-UHFFFAOYSA-N -1 1 374.384 2.657 20 10 FFCDMM COc1c(F)ccc([N-]S(=O)(=O)c2cccc3nsnc32)c1F ZINC001260388138 1040571363 /nfs/dbraw/zinc/57/13/63/1040571363.db2.gz UTDGCEOQNPGYKX-UHFFFAOYSA-N -1 1 357.363 2.779 20 10 FFCDMM O=S(=O)(Cc1noc2ccccc21)NCc1cccc(Cl)c1[O-] ZINC001214006097 1041155549 /nfs/dbraw/zinc/15/55/49/1041155549.db2.gz ALEXVLBZAMDDOQ-UHFFFAOYSA-N -1 1 352.799 2.806 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCc2ccncc2C1 ZINC001237778892 1043352221 /nfs/dbraw/zinc/35/22/21/1043352221.db2.gz CPSROZYTSYGAOV-UHFFFAOYSA-N -1 1 366.202 2.950 20 10 FFCDMM COCCOCN1C[C@H]2C[C@@H](C1)N2Cc1cc(Cl)c(Cl)cc1[O-] ZINC001279665738 1043429493 /nfs/dbraw/zinc/42/94/93/1043429493.db2.gz VLFQQWFGZZEQDK-BETUJISGSA-N -1 1 361.269 2.578 20 10 FFCDMM CCOC(=O)c1cc2n(n1)CCCN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001237935096 1043441892 /nfs/dbraw/zinc/44/18/92/1043441892.db2.gz QHEOCXYMYUNUMP-UHFFFAOYSA-N -1 1 367.808 2.964 20 10 FFCDMM CC(C)NC(=O)c1noc2c1CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237937974 1043444649 /nfs/dbraw/zinc/44/46/49/1043444649.db2.gz WAPDEQSONWWXMN-UHFFFAOYSA-N -1 1 367.808 2.869 20 10 FFCDMM CN(C)C(=O)[C@H]1COCCC12CN(Cc1cc(Cl)cc(Cl)c1[O-])C2 ZINC001279975168 1044018135 /nfs/dbraw/zinc/01/81/35/1044018135.db2.gz BQVOYWIBFROTMA-CYBMUJFWSA-N -1 1 373.280 2.626 20 10 FFCDMM COc1c([O-])c(C[NH2+]Cc2ccc(Br)o2)ccc1[N+](=O)[O-] ZINC001322149814 1045969147 /nfs/dbraw/zinc/96/91/47/1045969147.db2.gz OFOOBQZEKBTNGD-UHFFFAOYSA-N -1 1 357.160 2.954 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cc2c(cn1)OCCC2 ZINC001324646707 1046145578 /nfs/dbraw/zinc/14/55/78/1046145578.db2.gz XTBHZRRVTJICIL-UHFFFAOYSA-N -1 1 363.211 2.805 20 10 FFCDMM O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1c(F)ccc(O)c1[O-] ZINC001306192180 1052059292 /nfs/dbraw/zinc/05/92/92/1052059292.db2.gz SUQBTXBSJKCOIB-UHFFFAOYSA-N -1 1 367.760 2.982 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@H]1CC2(CCC2)CO1 ZINC001353126315 1056093032 /nfs/dbraw/zinc/09/30/32/1056093032.db2.gz MEEVKMVOLBCDFY-GFCCVEGCSA-N -1 1 369.259 2.913 20 10 FFCDMM NC(=O)CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCCC1 ZINC001565133068 1076688411 /nfs/dbraw/zinc/68/84/11/1076688411.db2.gz VCEJSSJJHPSQLL-UHFFFAOYSA-N -1 1 353.850 2.671 20 10 FFCDMM C[C@H](NC(=O)c1cccc(F)c1-c1nnn[n-]1)c1ccc(N(C)C)cc1 ZINC001589946396 1080891037 /nfs/dbraw/zinc/89/10/37/1080891037.db2.gz JOWBHPLYFXVQQT-NSHDSACASA-N -1 1 354.389 2.563 20 10 FFCDMM C[C@H](NC(=O)c1cccc(F)c1-c1nn[n-]n1)c1ccc(N(C)C)cc1 ZINC001589946396 1080891046 /nfs/dbraw/zinc/89/10/46/1080891046.db2.gz JOWBHPLYFXVQQT-NSHDSACASA-N -1 1 354.389 2.563 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCn3c(nnc3C(F)(F)F)C2)c1[O-] ZINC000132768021 509072205 /nfs/dbraw/zinc/07/22/05/509072205.db2.gz HUJJTEBNOMHEON-UHFFFAOYSA-N -1 1 374.750 2.874 20 10 FFCDMM Cn1ccnc1[C@@H](O)[C@@H]1CCC[N@H+](Cc2c(O)ccc(Cl)c2F)C1 ZINC000191444766 510662779 /nfs/dbraw/zinc/66/27/79/510662779.db2.gz IABDLOBLLGRAAJ-BZNIZROVSA-N -1 1 353.825 2.864 20 10 FFCDMM Cc1ccc(C(=O)N2CCC(NC(=O)c3c(F)ccc(O)c3[O-])CC2)cc1 ZINC000276586736 510942413 /nfs/dbraw/zinc/94/24/13/510942413.db2.gz MOKSCPPWZNSYHR-UHFFFAOYSA-N -1 1 372.396 2.580 20 10 FFCDMM C[C@@H]1COCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000286690028 511030097 /nfs/dbraw/zinc/03/00/97/511030097.db2.gz CXUKZCUKZBLYDR-MNOVXSKESA-N -1 1 357.248 2.627 20 10 FFCDMM CC[C@H]1Oc2cc([C@@H](C)NC(=O)c3c(F)ccc(O)c3[O-])ccc2NC1=O ZINC000295368963 511379929 /nfs/dbraw/zinc/37/99/29/511379929.db2.gz RPAIAXOQGUJCPG-YMTOWFKASA-N -1 1 374.368 2.837 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000295635620 511467450 /nfs/dbraw/zinc/46/74/50/511467450.db2.gz CECKVJVTXVXRPU-HXUWFJFHSA-N -1 1 359.397 2.694 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2ncc(C(F)(F)F)cn2)c1 ZINC000295833293 511529494 /nfs/dbraw/zinc/52/94/94/511529494.db2.gz ABLIEYRYYFDPOU-SECBINFHSA-N -1 1 355.316 2.838 20 10 FFCDMM O=C(NCc1cc(Cl)cc(Cl)c1[O-])N[C@H]1CCc2nc[nH]c2C1 ZINC000378074673 512576800 /nfs/dbraw/zinc/57/68/00/512576800.db2.gz UYYRPTLXMSQLNT-JTQLQIEISA-N -1 1 355.225 2.779 20 10 FFCDMM C[C@@H]1C[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)CCO1 ZINC000367682944 512614346 /nfs/dbraw/zinc/61/43/46/512614346.db2.gz JAUIWYZBNJKYPJ-CPUCHLNUSA-N -1 1 366.889 2.941 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1c(F)cccc1F ZINC000739794144 600315299 /nfs/dbraw/zinc/31/52/99/600315299.db2.gz URTXYMWYNAFSEQ-HNNXBMFYSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@H](O)c1c(F)cccc1F ZINC000739794144 600315305 /nfs/dbraw/zinc/31/53/05/600315305.db2.gz URTXYMWYNAFSEQ-HNNXBMFYSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C(CSc1ccc(-c2nn[nH]n2)cc1Cl)c1ccc([O-])c(O)c1 ZINC000826421138 607844984 /nfs/dbraw/zinc/84/49/84/607844984.db2.gz UAWARTOPQVWFIY-UHFFFAOYSA-N -1 1 362.798 2.906 20 10 FFCDMM Cc1ccc(Cl)cc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000093901549 728478465 /nfs/dbraw/zinc/47/84/65/728478465.db2.gz BUHDLMGPTKMYAQ-UHFFFAOYSA-N -1 1 354.815 2.978 20 10 FFCDMM CCOC(=O)CSc1nnc(NCc2cc(F)cc(F)c2[O-])s1 ZINC000905413364 736337555 /nfs/dbraw/zinc/33/75/55/736337555.db2.gz PIKRJXKXWMGUOM-UHFFFAOYSA-N -1 1 361.395 2.789 20 10 FFCDMM O=c1[nH]c(CNCc2cc(Cl)cc(Cl)c2[O-])nc2c1COCC2 ZINC000865867534 731005939 /nfs/dbraw/zinc/00/59/39/731005939.db2.gz OHZCOIHJKDSVGL-UHFFFAOYSA-N -1 1 356.209 2.557 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(=O)N[C@@H]3CCCC[C@H]32)c1 ZINC000781905951 738670036 /nfs/dbraw/zinc/67/00/36/738670036.db2.gz SAOASAZFNNVESE-ZIAGYGMSSA-N -1 1 353.260 2.706 20 10 FFCDMM O=C(COC(=O)c1c(Cl)cccc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC000783553052 738814612 /nfs/dbraw/zinc/81/46/12/738814612.db2.gz NKIUHKFHMOVYJS-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM O=C([O-])N[C@@H]1C[C@H]([NH2+]Cc2cc(Br)ccc2[O-])C12CCC2 ZINC000904238820 736237248 /nfs/dbraw/zinc/23/72/48/736237248.db2.gz FPCSXZJCKREKKG-QWHCGFSZSA-N -1 1 355.232 2.823 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2C)ccc1Cl ZINC000757477424 736406960 /nfs/dbraw/zinc/40/69/60/736406960.db2.gz OUWMBJBJXRHRSH-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM C[S@](=O)c1cccc(C(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765727376 737149545 /nfs/dbraw/zinc/14/95/45/737149545.db2.gz NBCKOWMJNFVBMI-NRFANRHFSA-N -1 1 368.252 2.822 20 10 FFCDMM Cc1cc(C)c(C(=O)NCc2cccc(Br)c2[O-])c(=O)[nH]1 ZINC000765736056 737151228 /nfs/dbraw/zinc/15/12/28/737151228.db2.gz KHYMFYXBRVHTIQ-UHFFFAOYSA-N -1 1 351.200 2.802 20 10 FFCDMM C[C@@H](Oc1cccnc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765737767 737151271 /nfs/dbraw/zinc/15/12/71/737151271.db2.gz ZKTXIBBZQVAGKL-SNVBAGLBSA-N -1 1 351.200 2.633 20 10 FFCDMM O=C(CCC(=O)NC1CCCC1)NCc1cccc(Br)c1[O-] ZINC000765750891 737153671 /nfs/dbraw/zinc/15/36/71/737153671.db2.gz NIVCGJNHXQOQPB-UHFFFAOYSA-N -1 1 369.259 2.610 20 10 FFCDMM C[C@H](OC[C@@H]1CCCCO1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765751590 737153790 /nfs/dbraw/zinc/15/37/90/737153790.db2.gz HFCKMIAJQJSPLZ-AAEUAGOBSA-N -1 1 372.259 2.745 20 10 FFCDMM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000765770997 737157098 /nfs/dbraw/zinc/15/70/98/737157098.db2.gz UYORWJCBPXZHQI-SECBINFHSA-N -1 1 366.259 2.925 20 10 FFCDMM CC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(O)cc2C(C)=O)ccc1C ZINC000766048557 737187036 /nfs/dbraw/zinc/18/70/36/737187036.db2.gz UFPFYUGOSLYVDZ-UHFFFAOYSA-N -1 1 362.407 2.662 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2OC(F)F)c1 ZINC000769647361 737549921 /nfs/dbraw/zinc/54/99/21/737549921.db2.gz LAPSGPXWFXINBI-UHFFFAOYSA-N -1 1 372.349 2.617 20 10 FFCDMM COc1cc(C(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)cc(Cl)c1[O-] ZINC000785629914 738984182 /nfs/dbraw/zinc/98/41/82/738984182.db2.gz WCFBHTNRYQKIAX-VIFPVBQESA-N -1 1 351.786 2.826 20 10 FFCDMM O=S(=O)(NC1CC1)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000922367444 738130281 /nfs/dbraw/zinc/13/02/81/738130281.db2.gz WOVGXMNKGSNBQH-UHFFFAOYSA-N -1 1 354.378 2.723 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)cc1C ZINC000776750745 738229428 /nfs/dbraw/zinc/22/94/28/738229428.db2.gz KVJLPYFUOZLKGK-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM Cn1nc([C@@H]2CCCOC2)cc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC000931155100 739219974 /nfs/dbraw/zinc/21/99/74/739219974.db2.gz LRJWHMBOWIMGSA-GFCCVEGCSA-N -1 1 364.833 2.995 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(c2ccccc2Cl)CC1 ZINC000789954675 739399518 /nfs/dbraw/zinc/39/95/18/739399518.db2.gz MYOULHMMTNBQGO-UHFFFAOYSA-N -1 1 350.777 2.853 20 10 FFCDMM O=C1CNC(=O)N1Cc1ccc(NCc2c([O-])ccc(Cl)c2F)cc1 ZINC000792174640 739646728 /nfs/dbraw/zinc/64/67/28/739646728.db2.gz XHBPMLIKQVJVIG-UHFFFAOYSA-N -1 1 363.776 2.849 20 10 FFCDMM O=C(Cc1ccc2c[nH]nc2c1)NCc1cccc(Br)c1[O-] ZINC000793967637 739831985 /nfs/dbraw/zinc/83/19/85/739831985.db2.gz FUTIBOQYIGURDZ-UHFFFAOYSA-N -1 1 360.211 2.890 20 10 FFCDMM COCc1ncsc1C(=O)NCc1cccc(Br)c1[O-] ZINC000803213673 740775691 /nfs/dbraw/zinc/77/56/91/740775691.db2.gz GWWZWPCUTCKDSK-UHFFFAOYSA-N -1 1 357.229 2.688 20 10 FFCDMM CC[C@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@@H](C)S1(=O)=O ZINC000805772709 741006580 /nfs/dbraw/zinc/00/65/80/741006580.db2.gz JHHUGLWIWHEZHF-YGRLFVJLSA-N -1 1 359.875 2.646 20 10 FFCDMM COC(=O)Cc1cccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)c1 ZINC000811700668 741548848 /nfs/dbraw/zinc/54/88/48/741548848.db2.gz OPQQPXRGXPHBRG-UHFFFAOYSA-N -1 1 367.448 2.630 20 10 FFCDMM COc1ccc(OCCCS(=O)(=O)Nc2ccc([O-])c(F)c2F)cc1 ZINC000830185161 745320303 /nfs/dbraw/zinc/32/03/03/745320303.db2.gz VROXXSYBRXTBEF-UHFFFAOYSA-N -1 1 373.377 2.890 20 10 FFCDMM CO[C@H]1C[C@@H](NC(=O)NCc2cccc(Br)c2[O-])C12CCC2 ZINC000838766279 746709223 /nfs/dbraw/zinc/70/92/23/746709223.db2.gz LOXKCNYYKCBMRU-OLZOCXBDSA-N -1 1 369.259 2.912 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])c1csnn1 ZINC000840461860 747100319 /nfs/dbraw/zinc/10/03/19/747100319.db2.gz PKIRGWSZLPWZDM-ZETCQYMHSA-N -1 1 357.233 2.567 20 10 FFCDMM COc1ccc(N(C)CCN(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000844401388 748021866 /nfs/dbraw/zinc/02/18/66/748021866.db2.gz NCIZOEKCTDGYOI-UHFFFAOYSA-N -1 1 358.467 2.974 20 10 FFCDMM CC(C)c1scnc1NC(=O)c1cc(NS(C)(=O)=O)ccc1[O-] ZINC000848095184 748842317 /nfs/dbraw/zinc/84/23/17/748842317.db2.gz OEDDFIOIFGKVBS-UHFFFAOYSA-N -1 1 355.441 2.596 20 10 FFCDMM O=C1CCCN1c1cnc(NCc2cccc(Br)c2[O-])cn1 ZINC000853538982 750087912 /nfs/dbraw/zinc/08/79/12/750087912.db2.gz YYXYACWQXIYEFE-UHFFFAOYSA-N -1 1 363.215 2.684 20 10 FFCDMM COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(O)c(C(=O)[O-])c1 ZINC000390420942 845842126 /nfs/dbraw/zinc/84/21/26/845842126.db2.gz OQFQJGWCFDHQNA-UHFFFAOYSA-N -1 1 357.771 2.553 20 10 FFCDMM Cc1cc(O)c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325280 958161351 /nfs/dbraw/zinc/16/13/51/958161351.db2.gz MLDAAYWLXNCVCL-QWHCGFSZSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325280 958161356 /nfs/dbraw/zinc/16/13/56/958161356.db2.gz MLDAAYWLXNCVCL-QWHCGFSZSA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](c3cnn(C)c3)C2)c(Cl)c1 ZINC001594325280 958161363 /nfs/dbraw/zinc/16/13/63/958161363.db2.gz MLDAAYWLXNCVCL-QWHCGFSZSA-N -1 1 363.845 2.778 20 10 FFCDMM O=C(c1ccccc1)c1ccc(O)c(C[N@H+]2CC[C@H](N3CCCC3)C2)c1[O-] ZINC000728197499 959394567 /nfs/dbraw/zinc/39/45/67/959394567.db2.gz ZCLAMPOBCMOEAT-KRWDZBQOSA-N -1 1 366.461 2.999 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@H](N3CCCC3)C2)c1[O-] ZINC000728197499 959394584 /nfs/dbraw/zinc/39/45/84/959394584.db2.gz ZCLAMPOBCMOEAT-KRWDZBQOSA-N -1 1 366.461 2.999 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@H](N3CCCC3)C2)c1[O-] ZINC000728197499 959394600 /nfs/dbraw/zinc/39/46/00/959394600.db2.gz ZCLAMPOBCMOEAT-KRWDZBQOSA-N -1 1 366.461 2.999 20 10 FFCDMM CCn1c(CCNC(=O)c2cc(C)n(-c3ccccn3)c2C)n[n-]c1=S ZINC000067077045 977667357 /nfs/dbraw/zinc/66/73/57/977667357.db2.gz URQAACOWZDMHGX-UHFFFAOYSA-N -1 1 370.482 2.736 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCN(c2ncc(C(F)(F)F)cn2)CC1 ZINC001142527126 982578839 /nfs/dbraw/zinc/57/88/39/982578839.db2.gz LMTCVJQVVBISOC-UHFFFAOYSA-N -1 1 374.313 2.801 20 10 FFCDMM COc1cccc(C(=O)N2CCN(Cc3cc(F)c(F)cc3[O-])CC2)c1 ZINC001142530334 982611164 /nfs/dbraw/zinc/61/11/64/982611164.db2.gz DVDOTVDTPBATNL-UHFFFAOYSA-N -1 1 362.376 2.637 20 10 FFCDMM CC(C)CN1C(=O)C(=CNN=c2ccc3ccccc3[nH]2)C(=O)[N-]C1=S ZINC000029003783 984083501 /nfs/dbraw/zinc/08/35/01/984083501.db2.gz NZGTVFIFJZCEHP-LCYFTJDESA-N -1 1 369.450 2.775 20 10 FFCDMM Cn1[n-]c(COC(=O)c2ccccc2NN=C2C=CC(=O)C=C2)nc1=O ZINC000765409357 985067981 /nfs/dbraw/zinc/06/79/81/985067981.db2.gz KKWORWXTPVMGOW-UHFFFAOYSA-N -1 1 353.338 2.586 20 10 FFCDMM Cc1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(C)n1-c1cccc(Cl)c1 ZINC001168431092 986440387 /nfs/dbraw/zinc/44/03/87/986440387.db2.gz RMOVYBWQQNKXRR-UHFFFAOYSA-N -1 1 372.812 2.879 20 10 FFCDMM CC(C)[C@H](NC(=O)Cn1c2ccccc2c2c1CCN(C(C)C)C2)C(=O)[O-] ZINC001591007459 991270488 /nfs/dbraw/zinc/27/04/88/991270488.db2.gz GPIXNFGYDNODHA-FQEVSTJZSA-N -1 1 371.481 2.633 20 10 FFCDMM CN(C)c1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nc2ccccc21 ZINC000811324329 995103330 /nfs/dbraw/zinc/10/33/30/995103330.db2.gz BDZOJAJTXZRYFZ-UHFFFAOYSA-N -1 1 366.373 2.752 20 10 FFCDMM O=c1ccc2c([nH]1)CC[N@H+](Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144306715 998301534 /nfs/dbraw/zinc/30/15/34/998301534.db2.gz NCWRYLZSUXWFKT-UHFFFAOYSA-N -1 1 367.218 2.995 20 10 FFCDMM Cc1nc(COC(C)(C)C)oc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000845274395 998460870 /nfs/dbraw/zinc/46/08/70/998460870.db2.gz PQVKBPQSYWEBOA-UHFFFAOYSA-N -1 1 363.366 2.749 20 10 FFCDMM Cn1c(COc2ccccc2)nnc1SCC(=O)c1ccc([O-])c(O)c1 ZINC000768413084 1000235179 /nfs/dbraw/zinc/23/51/79/1000235179.db2.gz BHOJILBTJBMMDP-UHFFFAOYSA-N -1 1 371.418 2.780 20 10 FFCDMM CC(C)(C)OC(=O)c1ccccc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001148386207 1001136919 /nfs/dbraw/zinc/13/69/19/1001136919.db2.gz RXHZICQHEPARMX-UHFFFAOYSA-N -1 1 371.389 2.666 20 10 FFCDMM N=c1ccc(/N=N/c2ccccc2)c(N)n1C(=O)c1cc(O)c([O-])c(O)c1 ZINC001148581760 1001174157 /nfs/dbraw/zinc/17/41/57/1001174157.db2.gz VIAUKGYBCWWWKL-ZKOWVJSDSA-N -1 1 365.349 2.770 20 10 FFCDMM O=C(NCc1cc(Cl)c2c(c1)OCCO2)c1c(F)ccc(O)c1[O-] ZINC001182474362 1001930343 /nfs/dbraw/zinc/93/03/43/1001930343.db2.gz DPTGNQWRORCELE-UHFFFAOYSA-N -1 1 353.733 2.592 20 10 FFCDMM O=C(NC[C@H](O)c1ccc(C(F)(F)F)cc1)c1c([O-])c(O)ccc1F ZINC001183647666 1002335715 /nfs/dbraw/zinc/33/57/15/1002335715.db2.gz LVPJJJCUBRUTAZ-LBPRGKRZSA-N -1 1 359.275 2.719 20 10 FFCDMM CCOC(=O)c1cnc(Cl)c(F)c1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170314057 1003104841 /nfs/dbraw/zinc/10/48/41/1003104841.db2.gz LCVBTWYQSMAZJL-UHFFFAOYSA-N -1 1 368.748 2.757 20 10 FFCDMM O=C(CNc1cc(OCc2ccccc2)ncn1)c1ccc([O-])c(O)c1 ZINC001170315623 1003106762 /nfs/dbraw/zinc/10/67/62/1003106762.db2.gz CTVVSJQGKBDYDJ-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM O=C(CNC(=O)c1ccc(OCC(F)(F)F)cc1)c1ccc([O-])c(O)c1 ZINC001191418469 1003819117 /nfs/dbraw/zinc/81/91/17/1003819117.db2.gz RKTUGSVUANTNGR-UHFFFAOYSA-N -1 1 369.295 2.652 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CC[C@@H](N2CCCC2)C(F)(F)C1 ZINC001193232478 1004411861 /nfs/dbraw/zinc/41/18/61/1004411861.db2.gz LDGUCBLNCHHCHH-GFCCVEGCSA-N -1 1 360.788 2.697 20 10 FFCDMM CCOC(=O)[C@@H](CNC(=O)c1ccc(O)c([O-])c1Cl)c1ccccc1 ZINC001193247169 1004418195 /nfs/dbraw/zinc/41/81/95/1004418195.db2.gz NLGHVIPRJAZHKG-ZDUSSCGKSA-N -1 1 363.797 2.828 20 10 FFCDMM CC(C)[C@H](C)NC(=O)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152602510 1032202438 /nfs/dbraw/zinc/20/24/38/1032202438.db2.gz WBMIFJJJZFHMHB-JTQLQIEISA-N -1 1 353.374 2.648 20 10 FFCDMM O=C(CCc1cccc2cnccc21)NCC(=O)c1ccc([O-])c(O)c1 ZINC001182402509 1010543454 /nfs/dbraw/zinc/54/34/54/1010543454.db2.gz BVKQWFQKZZZFFK-UHFFFAOYSA-N -1 1 350.374 2.578 20 10 FFCDMM C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1NC(=O)c1c(F)ccc(O)c1[O-] ZINC000829083656 1032997309 /nfs/dbraw/zinc/99/73/09/1032997309.db2.gz VYWNZEWZZLPOPQ-JQWIXIFHSA-N -1 1 368.405 2.612 20 10 FFCDMM CC(=O)OC1CC[NH+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])CC1 ZINC000753794113 1023381018 /nfs/dbraw/zinc/38/10/18/1023381018.db2.gz AKUXAFIUKWKBBU-UHFFFAOYSA-N -1 1 369.417 2.856 20 10 FFCDMM CCOC[C@H]1CN(Cc2c([O-])cccc2F)Cc2nnn(CC3CC3)c21 ZINC001137832602 1033166627 /nfs/dbraw/zinc/16/66/27/1033166627.db2.gz ASXWFGCUHWJONF-CQSZACIVSA-N -1 1 360.433 2.669 20 10 FFCDMM COC[C@H]1CN(Cc2c([O-])cccc2F)CCN1C(=O)OC(C)(C)C ZINC001137833151 1033167032 /nfs/dbraw/zinc/16/70/32/1033167032.db2.gz VDIATSQIELUOHG-CYBMUJFWSA-N -1 1 354.422 2.599 20 10 FFCDMM O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)c1cc(F)ccc1[O-] ZINC000837708432 1025976111 /nfs/dbraw/zinc/97/61/11/1025976111.db2.gz KHQZZHOGGUGBCN-UHFFFAOYSA-N -1 1 366.339 2.576 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839793669 1026829786 /nfs/dbraw/zinc/82/97/86/1026829786.db2.gz RQWOBFMBTDGTLU-MNOVXSKESA-N -1 1 368.405 2.660 20 10 FFCDMM O=C(CNc1nccc(OCc2ccccc2)n1)c1ccc([O-])c(O)c1 ZINC001159276868 1027333214 /nfs/dbraw/zinc/33/32/14/1027333214.db2.gz NVVDZWJARXZEKY-UHFFFAOYSA-N -1 1 351.362 2.762 20 10 FFCDMM O=C(COC(=O)c1cccn1Cc1ccccc1)c1ccc([O-])c(O)c1 ZINC000782301167 1029648150 /nfs/dbraw/zinc/64/81/50/1029648150.db2.gz ACCGQDVDXPQRPD-UHFFFAOYSA-N -1 1 351.358 2.987 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)[nH]c2c1C(=O)CC(C)(C)C2 ZINC000782489418 1029720547 /nfs/dbraw/zinc/72/05/47/1029720547.db2.gz BAPKGKBZYBZFIR-UHFFFAOYSA-N -1 1 371.389 2.929 20 10 FFCDMM O=C(Cc1ccc(-n2cccc2)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782728936 1029800232 /nfs/dbraw/zinc/80/02/32/1029800232.db2.gz JDXKFXNRIJBEIB-UHFFFAOYSA-N -1 1 351.358 2.857 20 10 FFCDMM Cc1nc2cc(F)cc(C(=O)OCC(=O)c3ccc([O-])c(O)c3)c2nc1C ZINC000783083892 1029891016 /nfs/dbraw/zinc/89/10/16/1029891016.db2.gz FJHYEWIPQRSTBN-UHFFFAOYSA-N -1 1 370.336 2.837 20 10 FFCDMM O=C(COC(=O)c1ccn(-c2c(F)cccc2F)n1)c1ccc([O-])c(O)c1 ZINC000784001100 1030407875 /nfs/dbraw/zinc/40/78/75/1030407875.db2.gz ZAOXIMAMMWDORZ-UHFFFAOYSA-N -1 1 374.299 2.601 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCCn2c(Cn3cccc3)nnc2C1 ZINC001142517179 1030566869 /nfs/dbraw/zinc/56/68/69/1030566869.db2.gz CSIISZXAFGCNSU-UHFFFAOYSA-N -1 1 359.380 2.518 20 10 FFCDMM COC(C)(C)CN1CC[C@]2(CCC[N@H+]2Cc2ccc(F)c(F)c2[O-])C1=O ZINC001276949774 1033733504 /nfs/dbraw/zinc/73/35/04/1033733504.db2.gz WHOAKQNQGCDWAY-LJQANCHMSA-N -1 1 368.424 2.662 20 10 FFCDMM COC(C)(C)CN1CC[C@]2(CCCN2Cc2ccc(F)c(F)c2[O-])C1=O ZINC001276949774 1033733519 /nfs/dbraw/zinc/73/35/19/1033733519.db2.gz WHOAKQNQGCDWAY-LJQANCHMSA-N -1 1 368.424 2.662 20 10 FFCDMM COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1cccc(F)c1[O-] ZINC001138123917 1033801793 /nfs/dbraw/zinc/80/17/93/1033801793.db2.gz RMUDJMWVQRZIIG-AWEZNQCLSA-N -1 1 354.422 2.599 20 10 FFCDMM COc1cccc(O)c1C(=O)NCc1cccc(Br)c1[O-] ZINC001139975061 1035294871 /nfs/dbraw/zinc/29/48/71/1035294871.db2.gz SKMSMVXJFYQDAK-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM CCC(CC)(NC(=O)Cc1cc(C)n(-c2ccccc2)c1C)c1nn[n-]n1 ZINC001140069650 1035332168 /nfs/dbraw/zinc/33/21/68/1035332168.db2.gz CIMUBAHZLYRISR-UHFFFAOYSA-N -1 1 366.469 2.981 20 10 FFCDMM COC[C@@H]1C[N@H+](Cc2c(O)cccc2Br)Cc2cn(C)nc21 ZINC001140100504 1035341449 /nfs/dbraw/zinc/34/14/49/1035341449.db2.gz RSWFHPWSHZYOMB-LBPRGKRZSA-N -1 1 366.259 2.634 20 10 FFCDMM CCOC(=O)[C@@H](CC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581291 1035618800 /nfs/dbraw/zinc/61/88/00/1035618800.db2.gz YZLQGPFZAFMYGU-OAHLLOKOSA-N -1 1 354.358 2.888 20 10 FFCDMM COC[C@H](C)Oc1cc([O-])cc2c1C(=O)C[C@@H](c1ccc(O)c(O)c1)O2 ZINC001228194071 1035984442 /nfs/dbraw/zinc/98/44/42/1035984442.db2.gz ORZBMYJFDWUYDF-QFYYESIMSA-N -1 1 360.362 2.924 20 10 FFCDMM O=C(c1ccc(F)cc1)N1CCN(Cc2c([O-])ccc(F)c2F)CC1 ZINC001233334923 1036542179 /nfs/dbraw/zinc/54/21/79/1036542179.db2.gz ZRQVTBFZFRUDEB-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCn2c1cnc2C(=O)OC ZINC001233495879 1036659554 /nfs/dbraw/zinc/65/95/54/1036659554.db2.gz MZQWFTULKLSLER-INIZCTEOSA-N -1 1 374.393 2.978 20 10 FFCDMM CCCC(=O)c1cc(O)c([O-])cc1OC1CCN(c2ncccn2)CC1 ZINC001233497088 1036662090 /nfs/dbraw/zinc/66/20/90/1036662090.db2.gz MXAYREBZXWYXCX-UHFFFAOYSA-N -1 1 357.410 2.918 20 10 FFCDMM C[C@@H](Oc1c(O)c(O)ccc1C(=O)c1cc(O)c([O-])c(O)c1)C(F)(F)F ZINC001229787816 1036896805 /nfs/dbraw/zinc/89/68/05/1036896805.db2.gz XFPNCDBEWSQTLG-ZCFIWIBFSA-N -1 1 374.267 2.775 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@H]1CCCN(C(=O)c2cccnc2F)C1 ZINC001234476664 1037054271 /nfs/dbraw/zinc/05/42/71/1037054271.db2.gz NFJGCMHLEUNCLU-LBPRGKRZSA-N -1 1 374.368 2.518 20 10 FFCDMM O=C1CC[C@@]2(CCCN(Cc3cc(F)cc(Br)c3[O-])C2)O1 ZINC001235305197 1037462979 /nfs/dbraw/zinc/46/29/79/1037462979.db2.gz KCHMNWMZPDUHOF-OAHLLOKOSA-N -1 1 358.207 2.965 20 10 FFCDMM C[C@@H]1CN(Cc2cc(C(=O)[O-])ccc2O)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001231563965 1037686633 /nfs/dbraw/zinc/68/66/33/1037686633.db2.gz GYDDCFLNTQHFTA-BETUJISGSA-N -1 1 364.442 2.920 20 10 FFCDMM O=C([O-])c1ccc(O)c(C[N@H+]2CCC[C@@H](NC(=O)c3ccccc3F)C2)c1 ZINC001231566775 1037691884 /nfs/dbraw/zinc/69/18/84/1037691884.db2.gz QYKLKEMDXXPQKR-OAHLLOKOSA-N -1 1 372.396 2.624 20 10 FFCDMM Cc1cc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c(C)cc1Cl ZINC001256217326 1038436357 /nfs/dbraw/zinc/43/63/57/1038436357.db2.gz HCWRGKJQSPHGQT-UHFFFAOYSA-N -1 1 369.826 2.529 20 10 FFCDMM CCCCN1C[C@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001276605980 1038623483 /nfs/dbraw/zinc/62/34/83/1038623483.db2.gz RYKUIIFQMJYTTK-HXUWFJFHSA-N -1 1 360.454 2.848 20 10 FFCDMM CC(C)(C)NC(=O)[C@@H]1CCSC12CN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001279736399 1043557515 /nfs/dbraw/zinc/55/75/15/1043557515.db2.gz LTSJKRRUIFAHKK-LBPRGKRZSA-N -1 1 370.465 2.893 20 10 FFCDMM Cn1nnnc1-c1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001311002065 1043778776 /nfs/dbraw/zinc/77/87/76/1043778776.db2.gz ZCWOKSVUCDJJRV-UHFFFAOYSA-N -1 1 358.789 2.558 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1scc2c1OCCO2 ZINC001297440465 1050168644 /nfs/dbraw/zinc/16/86/44/1050168644.db2.gz MRMVMYYRXHNSFW-UHFFFAOYSA-N -1 1 370.224 2.917 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CCC[C@@H](c2nn[n-]n2)C1 ZINC000753865226 1052432046 /nfs/dbraw/zinc/43/20/46/1052432046.db2.gz ZVHGVHJRIFSZTF-MRXNPFEDSA-N -1 1 364.453 2.935 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C)cc1C(=O)N1CC[C@@H](c2nn[n-]n2)C1 ZINC001347472488 1054018153 /nfs/dbraw/zinc/01/81/53/1054018153.db2.gz CUQBGSNZLAKYAY-OAHLLOKOSA-N -1 1 350.426 2.545 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C(C)C)c(O)cc2C)n(C)c1 ZINC001337793999 1055020167 /nfs/dbraw/zinc/02/01/67/1055020167.db2.gz JUDWLMPWMWXUPM-UHFFFAOYSA-N -1 1 366.439 2.750 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1CC2(CCC2)CO1 ZINC001353126316 1056093702 /nfs/dbraw/zinc/09/37/02/1056093702.db2.gz MEEVKMVOLBCDFY-LBPRGKRZSA-N -1 1 369.259 2.913 20 10 FFCDMM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC001440712089 1063343033 /nfs/dbraw/zinc/34/30/33/1063343033.db2.gz JRKLHCXDRODFBT-UHFFFAOYSA-N -1 1 352.438 2.932 20 10 FFCDMM Cc1cnn(-c2ccc(C(N)=O)cc2NCc2cc(F)cc(F)c2[O-])c1 ZINC001474140723 1065462533 /nfs/dbraw/zinc/46/25/33/1065462533.db2.gz MYSOWQUGZMIQRG-UHFFFAOYSA-N -1 1 358.348 2.876 20 10 FFCDMM [O-]c1c(Br)cc(Br)cc1CNCc1cc[nH]n1 ZINC001560257959 1076256947 /nfs/dbraw/zinc/25/69/47/1076256947.db2.gz OOYSCZJFBGIMAM-UHFFFAOYSA-N -1 1 361.037 2.930 20 10 FFCDMM CCN(CC)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(C)c2)cc1 ZINC000182475244 509257391 /nfs/dbraw/zinc/25/73/91/509257391.db2.gz PTYCOVHBHRIWNI-UHFFFAOYSA-N -1 1 362.451 2.983 20 10 FFCDMM O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc([O-])cc1F ZINC000181986456 510693213 /nfs/dbraw/zinc/69/32/13/510693213.db2.gz AKWXBUOAVKNOGQ-UHFFFAOYSA-N -1 1 358.413 2.670 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238704 510986732 /nfs/dbraw/zinc/98/67/32/510986732.db2.gz NQFTXOVEIANMMM-AWEZNQCLSA-N -1 1 350.396 2.944 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC(N2CCc3ccccc32)CC1 ZINC000295801524 511520279 /nfs/dbraw/zinc/52/02/79/511520279.db2.gz AQMJIVBTXBIFLQ-UHFFFAOYSA-N -1 1 356.397 2.904 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@H](c3cccc(O)c3)C2)ccc1[N+](=O)[O-] ZINC000372957600 513114900 /nfs/dbraw/zinc/11/49/00/513114900.db2.gz ZZCHZEUHSWMURO-INIZCTEOSA-N -1 1 360.366 2.588 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C3=NC[C@H](C)S3)CC2)c1[O-] ZINC000079497762 728313771 /nfs/dbraw/zinc/31/37/71/728313771.db2.gz GBJZAXZWAAFWKY-NSHDSACASA-N -1 1 367.902 2.857 20 10 FFCDMM C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000879774198 732765957 /nfs/dbraw/zinc/76/59/57/732765957.db2.gz FKIJHHBIKAMKEC-OTYXRUKQSA-N -1 1 364.243 2.860 20 10 FFCDMM CCOC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000886962895 733865586 /nfs/dbraw/zinc/86/55/86/733865586.db2.gz GTELXYDDKLMFKT-HOCLYGCPSA-N -1 1 369.845 2.839 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CCOCC2(CCOCC2)C1 ZINC000894448117 734859811 /nfs/dbraw/zinc/85/98/11/734859811.db2.gz CBOPZSYMMUEQDQ-UHFFFAOYSA-N -1 1 374.250 2.923 20 10 FFCDMM CNC(=O)CC1(CNC(=O)NCc2cccc(Cl)c2[O-])CCCCC1 ZINC000895863838 735066553 /nfs/dbraw/zinc/06/65/53/735066553.db2.gz LDFSDSBOHLONML-UHFFFAOYSA-N -1 1 367.877 2.931 20 10 FFCDMM COCCOc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2OC)cc1C ZINC000901704759 735823617 /nfs/dbraw/zinc/82/36/17/735823617.db2.gz WRHNDLRQJBQJHQ-UHFFFAOYSA-N -1 1 367.423 2.535 20 10 FFCDMM COC(=O)c1cc(Cl)ccc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000758169884 736458391 /nfs/dbraw/zinc/45/83/91/736458391.db2.gz GJYZBWUICIIVOB-UHFFFAOYSA-N -1 1 359.762 2.772 20 10 FFCDMM Cc1csc(CCNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764763185 737046910 /nfs/dbraw/zinc/04/69/10/737046910.db2.gz SGANKYNVWDTUCW-UHFFFAOYSA-N -1 1 370.272 2.962 20 10 FFCDMM CC[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@@H]1CCCO1 ZINC000764798215 737050531 /nfs/dbraw/zinc/05/05/31/737050531.db2.gz BKLAVMIRSSQLPR-STQMWFEESA-N -1 1 357.248 2.912 20 10 FFCDMM C[S@](=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765754305 737154126 /nfs/dbraw/zinc/15/41/26/737154126.db2.gz VQEBEWOBHQXMQE-NRFANRHFSA-N -1 1 368.252 2.822 20 10 FFCDMM O=C(/C=C/c1ccc(O)c(O)c1)NCc1cccc(Br)c1[O-] ZINC000765766910 737156399 /nfs/dbraw/zinc/15/63/99/737156399.db2.gz DSSAIHAFTRLYRT-FNORWQNLSA-N -1 1 364.195 2.896 20 10 FFCDMM O=S(=O)(NCc1cccc(Br)c1[O-])c1ccc(F)cc1 ZINC000766198893 737206592 /nfs/dbraw/zinc/20/65/92/737206592.db2.gz AKKURNAULSNNQR-UHFFFAOYSA-N -1 1 360.204 2.772 20 10 FFCDMM CSc1cccc(N(C)C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c1 ZINC000769749538 737561271 /nfs/dbraw/zinc/56/12/71/737561271.db2.gz PPFRKCNFBZQQLC-UHFFFAOYSA-N -1 1 366.464 2.762 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]([C@H]1CCOC1)C(F)(F)F ZINC000932982384 739549010 /nfs/dbraw/zinc/54/90/10/739549010.db2.gz JEGQOGBGBUVABU-CABZTGNLSA-N -1 1 352.740 2.812 20 10 FFCDMM CCOC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2ccc(O)cc2F)c1 ZINC000795348588 740007935 /nfs/dbraw/zinc/00/79/35/740007935.db2.gz OZDRWMOKXUZKBY-UHFFFAOYSA-N -1 1 357.334 2.648 20 10 FFCDMM NC(=S)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000798341354 740324161 /nfs/dbraw/zinc/32/41/61/740324161.db2.gz ISZXLSHMRQNFBJ-UHFFFAOYSA-N -1 1 365.252 2.719 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])C(F)(F)C1(O)CCCC1 ZINC000803213819 740775758 /nfs/dbraw/zinc/77/57/58/740775758.db2.gz XFILTAIDKJUVIY-UHFFFAOYSA-N -1 1 364.186 2.711 20 10 FFCDMM CC[C@@H]1CN(Cc2cc(Cl)cc(C(C)=O)c2[O-])C[C@H](C)S1(=O)=O ZINC000805772706 741006564 /nfs/dbraw/zinc/00/65/64/741006564.db2.gz JHHUGLWIWHEZHF-IINYFYTJSA-N -1 1 359.875 2.646 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCOC[C@H]2[C@@H]2CCCO2)c1 ZINC000809698242 741333245 /nfs/dbraw/zinc/33/32/45/741333245.db2.gz WPYAHXFDDPMMSX-GJZGRUSLSA-N -1 1 356.260 2.843 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCCC[C@H]2CS(C)(=O)=O)c1[O-] ZINC000831782034 745583414 /nfs/dbraw/zinc/58/34/14/745583414.db2.gz ABHFACYVXHZRIG-AWEZNQCLSA-N -1 1 359.875 2.647 20 10 FFCDMM COCCc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2COC)cc1 ZINC000840916272 747223785 /nfs/dbraw/zinc/22/37/85/747223785.db2.gz ZANRYDRMBKKZGN-UHFFFAOYSA-N -1 1 351.424 2.528 20 10 FFCDMM CNC(=O)c1cc(Nc2c(Cl)ccc(Br)c2[O-])ccn1 ZINC001175416855 1013476146 /nfs/dbraw/zinc/47/61/46/1013476146.db2.gz NLIBQGVVDSUHOZ-UHFFFAOYSA-N -1 1 356.607 2.728 20 10 FFCDMM C[N@H+](Cc1cc(F)c(F)cc1[O-])C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC001142509011 982464491 /nfs/dbraw/zinc/46/44/91/982464491.db2.gz SWTWIQROPUBCHA-ZDUSSCGKSA-N -1 1 372.412 2.738 20 10 FFCDMM COC(=O)[C@@H]1[C@H](c2ccccc2)OCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534802 982624112 /nfs/dbraw/zinc/62/41/12/982624112.db2.gz XLFMVFNNKKXDOQ-ROUUACIJSA-N -1 1 363.360 2.786 20 10 FFCDMM Cc1cc(CC(=O)N2CCC(c3nn[n-]n3)CC2)c(C)n1-c1ccccc1 ZINC000913746015 986887245 /nfs/dbraw/zinc/88/72/45/986887245.db2.gz TXBBVDNHUZSZJU-UHFFFAOYSA-N -1 1 364.453 2.556 20 10 FFCDMM CCOC(=O)c1nnc([N-]C(=O)c2c(C)oc(-n3cccc3)c2C#N)s1 ZINC000155082416 990725471 /nfs/dbraw/zinc/72/54/71/990725471.db2.gz WGWXZOCNRMZNQZ-UHFFFAOYSA-N -1 1 371.378 2.531 20 10 FFCDMM O=C1CCC[C@]2(CCCN(Cc3cc(Br)c(F)cc3[O-])C2)N1 ZINC001144301721 998296759 /nfs/dbraw/zinc/29/67/59/998296759.db2.gz TWBHQGHFJJIYKC-MRXNPFEDSA-N -1 1 371.250 2.929 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000789953713 1002237430 /nfs/dbraw/zinc/23/74/30/1002237430.db2.gz YRZZSKPZDHPMFA-GFCCVEGCSA-N -1 1 374.416 2.575 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN(c2nc3ccccc3s2)CC1 ZINC000789993770 1002251114 /nfs/dbraw/zinc/25/11/14/1002251114.db2.gz DTIGKEJVPOBAIR-UHFFFAOYSA-N -1 1 373.409 2.809 20 10 FFCDMM O=C(CNc1nc(Cl)cc(-c2ccccn2)n1)c1ccc([O-])c(O)c1 ZINC001170316703 1003106056 /nfs/dbraw/zinc/10/60/56/1003106056.db2.gz ZDDDIDMZVNZJTL-UHFFFAOYSA-N -1 1 356.769 2.898 20 10 FFCDMM CCOC(=O)c1cc2c(ncnc2NCC(=O)c2ccc([O-])c(O)c2)s1 ZINC001170316188 1003106344 /nfs/dbraw/zinc/10/63/44/1003106344.db2.gz BKMAHSBXKCROBF-UHFFFAOYSA-N -1 1 373.390 2.574 20 10 FFCDMM CCOC(=O)c1cc2c(NCC(=O)c3ccc([O-])c(O)c3)[nH]c(C)cc-2n1 ZINC001170316812 1003106833 /nfs/dbraw/zinc/10/68/33/1003106833.db2.gz PLQYCGWZPGIFFG-UHFFFAOYSA-N -1 1 369.377 2.754 20 10 FFCDMM O=C(CNc1nc(Cl)nc2c1SCCC2)c1ccc([O-])c(O)c1 ZINC001170317106 1003106876 /nfs/dbraw/zinc/10/68/76/1003106876.db2.gz ZESKWVITMIONAW-UHFFFAOYSA-N -1 1 351.815 2.874 20 10 FFCDMM CC(C)C(=O)NCCc1ccc(NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001170320930 1003109972 /nfs/dbraw/zinc/10/99/72/1003109972.db2.gz PVPHNTAUHRENBT-UHFFFAOYSA-N -1 1 356.422 2.707 20 10 FFCDMM O=C(Nc1cnn(-c2ccccc2)c(=O)c1)c1ccc(O)c([O-])c1Cl ZINC001193247003 1004417603 /nfs/dbraw/zinc/41/76/03/1004417603.db2.gz GZFUVJWLPBPGDM-UHFFFAOYSA-N -1 1 357.753 2.549 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@]1(C)C[C@@H](NC(=O)c2ccc(O)c([O-])c2Cl)C1 ZINC001193247421 1004417650 /nfs/dbraw/zinc/41/76/50/1004417650.db2.gz YHLDFLKVKGHRBX-LUCWMNAYSA-N -1 1 370.833 2.927 20 10 FFCDMM COc1cc2c(cc1OC)[C@@H](CNC(=O)c1ccc(O)c([O-])c1Cl)C2 ZINC001193255469 1004422409 /nfs/dbraw/zinc/42/24/09/1004422409.db2.gz YLUMWHKRXIHJEG-SNVBAGLBSA-N -1 1 363.797 2.838 20 10 FFCDMM COC[C@H]1COCCC12CCN(C(=O)c1ccc(O)c([O-])c1Cl)CC2 ZINC001193225038 1004428516 /nfs/dbraw/zinc/42/85/16/1004428516.db2.gz GEOQUCDMGDEBTD-LBPRGKRZSA-N -1 1 369.845 2.657 20 10 FFCDMM CC1(C)Cc2ccccc2N(C(=O)c2cc(NS(C)(=O)=O)ccc2[O-])C1 ZINC000816902379 1007263218 /nfs/dbraw/zinc/26/32/18/1007263218.db2.gz QJIFRBYRGAHGFY-UHFFFAOYSA-N -1 1 374.462 2.993 20 10 FFCDMM CO[C@@](C)(CNC(=O)c1c(F)ccc(O)c1[O-])COCc1ccccc1 ZINC000857308107 1008118324 /nfs/dbraw/zinc/11/83/24/1008118324.db2.gz HQKMECJEIRKEBF-IBGZPJMESA-N -1 1 363.385 2.589 20 10 FFCDMM O=C(COc1cccc2ccccc21)NCC(=O)c1ccc([O-])c(O)c1 ZINC001180537435 1009736923 /nfs/dbraw/zinc/73/69/23/1009736923.db2.gz FQEMZYLUZHOCCA-UHFFFAOYSA-N -1 1 351.358 2.629 20 10 FFCDMM C[C@@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CN1C(=O)OC(C)(C)C ZINC000863942108 1010363113 /nfs/dbraw/zinc/36/31/13/1010363113.db2.gz LHBHTRANTYLBEB-MNOVXSKESA-N -1 1 368.405 2.755 20 10 FFCDMM CCCOc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(OC)c1 ZINC000837890504 1026088301 /nfs/dbraw/zinc/08/83/01/1026088301.db2.gz PMENAELPAUBUAT-UHFFFAOYSA-N -1 1 360.362 2.935 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cc2nsnc2c([N+](=O)[O-])c1 ZINC001159033185 1027238894 /nfs/dbraw/zinc/23/88/94/1027238894.db2.gz DAUKFXAADSHGIW-UHFFFAOYSA-N -1 1 364.770 2.889 20 10 FFCDMM O=C(CNc1nnc(Cl)cc1-c1ccncc1)c1ccc([O-])c(O)c1 ZINC001159276545 1027333252 /nfs/dbraw/zinc/33/32/52/1027333252.db2.gz KIZXNPQNUKGRJW-UHFFFAOYSA-N -1 1 356.769 2.898 20 10 FFCDMM Cc1nc2c(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cccn2c1C ZINC001155223782 1028632168 /nfs/dbraw/zinc/63/21/68/1028632168.db2.gz LHORJOHNSXEFHL-UHFFFAOYSA-N -1 1 365.345 2.721 20 10 FFCDMM Cc1c2ccc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cc2nn1C ZINC001155227911 1028634945 /nfs/dbraw/zinc/63/49/45/1028634945.db2.gz GRMBIFSXNDWGRV-UHFFFAOYSA-N -1 1 365.345 2.652 20 10 FFCDMM Cc1[nH]c(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782931638 1029855178 /nfs/dbraw/zinc/85/51/78/1029855178.db2.gz RQQBWVMJFQLMTR-UHFFFAOYSA-N -1 1 352.346 2.836 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[O-] ZINC000842627788 1030848828 /nfs/dbraw/zinc/84/88/28/1030848828.db2.gz XOTCKBSJMUFMBN-BEFAXECRSA-N -1 1 353.418 2.940 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c1[O-] ZINC000842627788 1030848845 /nfs/dbraw/zinc/84/88/45/1030848845.db2.gz XOTCKBSJMUFMBN-BEFAXECRSA-N -1 1 353.418 2.940 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@H]2OCCN(Cc3cccc(F)c3[O-])[C@H]2C1 ZINC001138123820 1033801143 /nfs/dbraw/zinc/80/11/43/1033801143.db2.gz NKJXKNVHOOFPAM-JKSUJKDBSA-N -1 1 366.433 2.742 20 10 FFCDMM CC(C)=CCN1C(=O)COCC12CN(Cc1cc(F)c(Cl)cc1[O-])C2 ZINC001276967587 1033864751 /nfs/dbraw/zinc/86/47/51/1033864751.db2.gz QTQYBJPLZLRANM-UHFFFAOYSA-N -1 1 368.836 2.564 20 10 FFCDMM CCOC(=O)C[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580597 1035616176 /nfs/dbraw/zinc/61/61/76/1035616176.db2.gz RPXVFCMUQXZLRB-LLVKDONJSA-N -1 1 354.358 2.888 20 10 FFCDMM C[C@H](Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1)c1cncnc1 ZINC001228110670 1035936936 /nfs/dbraw/zinc/93/69/36/1035936936.db2.gz LOADIMMEBBPWOX-NSHDSACASA-N -1 1 352.346 2.964 20 10 FFCDMM CCOC(=O)[C@@H](CC)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228111125 1035938882 /nfs/dbraw/zinc/93/88/82/1035938882.db2.gz RGRFQNRZRRGBBT-OAHLLOKOSA-N -1 1 360.362 2.755 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCCC[C@@](O)(CF)C1 ZINC001233026702 1036267785 /nfs/dbraw/zinc/26/77/85/1036267785.db2.gz DAXZIVYKBDPUNC-CQSZACIVSA-N -1 1 350.203 2.980 20 10 FFCDMM C[C@@H]1C[C@H](Oc2cc([O-])c(O)c3c2C(=O)c2ccccc2C3=O)CCO1 ZINC001229197089 1036546791 /nfs/dbraw/zinc/54/67/91/1036546791.db2.gz MSVZSJFCEHTTJA-GHMZBOCLSA-N -1 1 354.358 2.820 20 10 FFCDMM CCOC(=O)[C@@H]1CCN(Cc2cccc(C(F)(F)F)c2[O-])CCC1=O ZINC001233417696 1036610579 /nfs/dbraw/zinc/61/05/79/1036610579.db2.gz DPFIQTFKNZAWGZ-GFCCVEGCSA-N -1 1 359.344 2.755 20 10 FFCDMM COCCCN1CC[C@@]2(CCCN2Cc2cc(Cl)cc(F)c2[O-])C1=O ZINC001277386806 1036668968 /nfs/dbraw/zinc/66/89/68/1036668968.db2.gz BQIKDUZNMHLEGN-SFHVURJKSA-N -1 1 370.852 2.788 20 10 FFCDMM CCCCN1C[C@@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387639 1036677527 /nfs/dbraw/zinc/67/75/27/1036677527.db2.gz NBZHLFBAUFXAED-SFHVURJKSA-N -1 1 370.852 2.788 20 10 FFCDMM COC(=O)[C@@H]1CN(Cc2cc(F)cc(Br)c2[O-])CC12CC2 ZINC001235306965 1037465965 /nfs/dbraw/zinc/46/59/65/1037465965.db2.gz IJPKNAAJFKRCPQ-NSHDSACASA-N -1 1 358.207 2.679 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CCCn3cnc(COCC4CC4)c3C2)c1 ZINC001231563191 1037687552 /nfs/dbraw/zinc/68/75/52/1037687552.db2.gz IABOKDPGBBGDSU-UHFFFAOYSA-N -1 1 371.437 2.619 20 10 FFCDMM [O-]c1cc(Cl)c(Cl)cc1CN1CCOC[C@](O)(C(F)(F)F)C1 ZINC001236793590 1038273741 /nfs/dbraw/zinc/27/37/41/1038273741.db2.gz LRVZWVAUXONLRO-LBPRGKRZSA-N -1 1 360.159 2.825 20 10 FFCDMM O=C([N-]c1c2nonc2ccc1Cl)c1cn(Cc2ccccc2)nn1 ZINC001256174898 1038417612 /nfs/dbraw/zinc/41/76/12/1038417612.db2.gz DAZUJWJDIIMLFI-UHFFFAOYSA-N -1 1 354.757 2.768 20 10 FFCDMM Cc1cc(N2CCOCC2)cc2[nH]c(-c3cc(O)c([O-])c([N+](=O)[O-])c3)nc21 ZINC001251027775 1038902760 /nfs/dbraw/zinc/90/27/60/1038902760.db2.gz YHORLZDRJQQWQC-UHFFFAOYSA-N -1 1 370.365 2.694 20 10 FFCDMM C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])N1N=C(c2cccc(F)c2)CC1=O ZINC001245921458 1039148231 /nfs/dbraw/zinc/14/82/31/1039148231.db2.gz YGSPFGWOGOGSDP-IBGZPJMESA-N -1 1 372.352 2.849 20 10 FFCDMM CC[C@H](C)N1CC2(CN(Cc3cccc(C(F)(F)F)c3[O-])C2)OCC1=O ZINC001276743431 1042057301 /nfs/dbraw/zinc/05/73/01/1042057301.db2.gz AEJKDUQMTDSEGJ-LBPRGKRZSA-N -1 1 372.387 2.623 20 10 FFCDMM Cc1noc(C)c1NC(=O)N1C[C@H]2C[C@@H](C1)N2Cc1cccc(F)c1[O-] ZINC001279530219 1043228671 /nfs/dbraw/zinc/22/86/71/1043228671.db2.gz XGEQCDSMVWRDHM-OKILXGFUSA-N -1 1 360.389 2.627 20 10 FFCDMM COc1cc(C)nc(O[C@@H]2CCN(Cc3cc(Cl)cc(F)c3[O-])C2)n1 ZINC001237624518 1043279271 /nfs/dbraw/zinc/27/92/71/1043279271.db2.gz VRXWXVFRBLNVGU-CYBMUJFWSA-N -1 1 367.808 2.945 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCOC[C@@H]1C1CC1 ZINC001237784295 1043356071 /nfs/dbraw/zinc/35/60/71/1043356071.db2.gz TWHYDGKZPFSTHL-CYBMUJFWSA-N -1 1 359.207 2.608 20 10 FFCDMM CCOC(=O)c1cn2c(n1)CN(Cc1cc(F)c(Cl)cc1[O-])CC2 ZINC001237936648 1043443718 /nfs/dbraw/zinc/44/37/18/1043443718.db2.gz KUKWLBICXLNFAH-UHFFFAOYSA-N -1 1 353.781 2.574 20 10 FFCDMM C[C@@H]1c2nc(C(=O)NC(C)(C)C)cn2CCN1Cc1c([O-])cccc1F ZINC001280007093 1044079071 /nfs/dbraw/zinc/07/90/71/1044079071.db2.gz YMRWXPLVWGPTBP-GFCCVEGCSA-N -1 1 360.433 2.833 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)NC2(c3nn[n-]n3)CCCC2)cc1 ZINC000735821723 1048600708 /nfs/dbraw/zinc/60/07/08/1048600708.db2.gz WJWMIUTVCURLHJ-UHFFFAOYSA-N -1 1 350.426 2.807 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C(=O)Nc1ccc2c(n1)CCCC2 ZINC001340511075 1050904712 /nfs/dbraw/zinc/90/47/12/1050904712.db2.gz UGIQOBBHUFJMMJ-UHFFFAOYSA-N -1 1 359.813 2.574 20 10 FFCDMM COc1cccc(C2=NO[C@H](C(=O)NCc3cccc(Cl)c3[O-])C2)c1 ZINC001305084045 1051801141 /nfs/dbraw/zinc/80/11/41/1051801141.db2.gz FPICDKOEEVIPIX-INIZCTEOSA-N -1 1 360.797 2.864 20 10 FFCDMM COC(=O)c1ccc(CCNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001467782241 1063850820 /nfs/dbraw/zinc/85/08/20/1063850820.db2.gz YWEMDCXLWXCATQ-UHFFFAOYSA-N -1 1 362.813 2.874 20 10 FFCDMM C[S@](=O)c1ccc(CNC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001564268789 1076620973 /nfs/dbraw/zinc/62/09/73/1076620973.db2.gz QGAHQPIJNFQMJN-QHCPKHFHSA-N -1 1 352.843 2.782 20 10 FFCDMM C[C@@H](NC(=O)CC(C)(C)C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277596916 510967536 /nfs/dbraw/zinc/96/75/36/510967536.db2.gz SXZBGZNPDKHINL-SNVBAGLBSA-N -1 1 371.275 2.712 20 10 FFCDMM CCC(=O)N1CCC[N@H+](Cc2cc(Br)cc(C)c2O)CC1 ZINC000373223823 512228025 /nfs/dbraw/zinc/22/80/25/512228025.db2.gz LKMSTHLIWPVXCX-UHFFFAOYSA-N -1 1 355.276 2.907 20 10 FFCDMM CCC(=O)N1CCCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277562883 510966348 /nfs/dbraw/zinc/96/63/48/510966348.db2.gz PPFBWBLQGNIDPJ-CYBMUJFWSA-N -1 1 369.259 2.562 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCCO1 ZINC000277604894 510967840 /nfs/dbraw/zinc/96/78/40/510967840.db2.gz VMEVRHLUGQXIEP-ZWNOBZJWSA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1CCCc2n[nH]cc21 ZINC000277656428 510969153 /nfs/dbraw/zinc/96/91/53/510969153.db2.gz ZLFYVOHAIFZRAS-JTQLQIEISA-N -1 1 350.216 2.614 20 10 FFCDMM COC(=O)[C@H](NCc1ccc([N+](=O)[O-])c(OC)c1[O-])c1cc(C)cc(C)c1 ZINC000278403253 510992627 /nfs/dbraw/zinc/99/26/27/510992627.db2.gz OMJRIPIQSMYGNJ-MRXNPFEDSA-N -1 1 374.393 2.930 20 10 FFCDMM CN(C)c1ccc(CN(C(=O)/N=c2/ccnc3n(C)[n-]cc2-3)C2CC2)cc1 ZINC000287634799 511054440 /nfs/dbraw/zinc/05/44/40/511054440.db2.gz OHYCMDPBWPKBEL-NKFKGCMQSA-N -1 1 364.453 2.604 20 10 FFCDMM CC(C)CO[C@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000295134148 511293808 /nfs/dbraw/zinc/29/38/08/511293808.db2.gz ILJHAJMXWYAIJZ-SNVBAGLBSA-N -1 1 367.377 2.626 20 10 FFCDMM C[C@H](CCCNC(=O)OC(C)(C)C)NC(=O)c1c(F)ccc(O)c1[O-] ZINC000295259258 511340107 /nfs/dbraw/zinc/34/01/07/511340107.db2.gz DCAOABPCAIGCPF-SNVBAGLBSA-N -1 1 356.394 2.660 20 10 FFCDMM O=C(c1c(F)cccc1F)N1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000272300433 511490365 /nfs/dbraw/zinc/49/03/65/511490365.db2.gz PQNNKGXIHZFUSZ-UHFFFAOYSA-N -1 1 350.340 2.768 20 10 FFCDMM Cc1ncsc1CCNC(=O)NCc1cccc(Br)c1[O-] ZINC000297138867 512034101 /nfs/dbraw/zinc/03/41/01/512034101.db2.gz OQZOZBHFEUYPCW-UHFFFAOYSA-N -1 1 370.272 2.962 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nnn[n-]3)o2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823504930 599312609 /nfs/dbraw/zinc/31/26/09/599312609.db2.gz VSRDFOOSBLBLSR-GHXNOFRVSA-N -1 1 373.463 2.850 20 10 FFCDMM O=C1C(=Cc2ccc(-c3nn[n-]n3)o2)SC(=S)N1C(C1CC1)C1CC1 ZINC000823504930 599312611 /nfs/dbraw/zinc/31/26/11/599312611.db2.gz VSRDFOOSBLBLSR-GHXNOFRVSA-N -1 1 373.463 2.850 20 10 FFCDMM Cc1ccc(C)n1-c1ccc(C(=O)N2CCN([C@H](C)CC(=O)[O-])CC2)cc1 ZINC000832925816 601096429 /nfs/dbraw/zinc/09/64/29/601096429.db2.gz XSMAIYVJIRWQMR-QGZVFWFLSA-N -1 1 369.465 2.715 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000833898456 605914335 /nfs/dbraw/zinc/91/43/35/605914335.db2.gz UPXSPHKXQKDKOB-GHMZBOCLSA-N -1 1 357.248 2.941 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)NC(=O)[O-])C2)c1 ZINC000833898459 605914473 /nfs/dbraw/zinc/91/44/73/605914473.db2.gz UPXSPHKXQKDKOB-MNOVXSKESA-N -1 1 357.248 2.941 20 10 FFCDMM COc1ccc(O)c(CNC(=O)c2ccc(Br)cc2[O-])c1 ZINC000114541476 728561334 /nfs/dbraw/zinc/56/13/34/728561334.db2.gz VGLBKMCMLJGXFT-UHFFFAOYSA-N -1 1 352.184 2.799 20 10 FFCDMM Cc1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1F ZINC000325469832 729758894 /nfs/dbraw/zinc/75/88/94/729758894.db2.gz FQEFLVDCDSOXCF-UHFFFAOYSA-N -1 1 354.315 2.572 20 10 FFCDMM O=C(NCC[C@@H]1CCCOC1)NCc1cccc(Br)c1[O-] ZINC000858667683 730431140 /nfs/dbraw/zinc/43/11/40/730431140.db2.gz WHNOQCKOGZIPHC-NSHDSACASA-N -1 1 357.248 2.771 20 10 FFCDMM O=C(CSCc1ccc(F)cc1)OCC(=O)c1ccc([O-])c(O)c1 ZINC000916608664 737715301 /nfs/dbraw/zinc/71/53/01/737715301.db2.gz BRWXOPSKSGIVLW-UHFFFAOYSA-N -1 1 350.367 2.896 20 10 FFCDMM COc1ccc(N2CC[C@@H](NC(=O)Cc3ccc([O-])c(Cl)c3)C2)cc1 ZINC000869229385 731377143 /nfs/dbraw/zinc/37/71/43/731377143.db2.gz VTORDLLJUIQNNS-CQSZACIVSA-N -1 1 360.841 2.992 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CNCc1nnc2n1CCCCC2 ZINC000882880375 733306759 /nfs/dbraw/zinc/30/67/59/733306759.db2.gz OMPNWMAUWFJGKJ-UHFFFAOYSA-N -1 1 369.238 2.902 20 10 FFCDMM C[C@H](Oc1ccccc1Cl)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782695648 738749033 /nfs/dbraw/zinc/74/90/33/738749033.db2.gz FYESQFGDFIOEQX-JTQLQIEISA-N -1 1 350.754 2.945 20 10 FFCDMM Cc1cc(C2(C(=O)NCc3cccc(Cl)c3[O-])CCOCC2)on1 ZINC000890762942 734337257 /nfs/dbraw/zinc/33/72/57/734337257.db2.gz LCMUUCPHOVANGZ-UHFFFAOYSA-N -1 1 350.802 2.707 20 10 FFCDMM C[C@@H](CNC(=O)NCc1cccc(Cl)c1[O-])NC(=O)OC(C)(C)C ZINC000894521695 734873915 /nfs/dbraw/zinc/87/39/15/734873915.db2.gz ZVYBXGGXMZMOAH-JTQLQIEISA-N -1 1 357.838 2.758 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(Cc3ccc(F)cc3)no2)c1 ZINC000758292058 736472768 /nfs/dbraw/zinc/47/27/68/736472768.db2.gz YLGNPILTUBMZGJ-UHFFFAOYSA-N -1 1 363.370 2.544 20 10 FFCDMM Cn1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(C(C)(C)C)n1 ZINC000908326436 736758220 /nfs/dbraw/zinc/75/82/20/736758220.db2.gz AOTHPVSAZSHLJO-UHFFFAOYSA-N -1 1 357.863 2.555 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccnc(-n2cccn2)c1 ZINC000765727510 737149640 /nfs/dbraw/zinc/14/96/40/737149640.db2.gz BTSWASZHLXAQCI-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM CCc1noc(CCCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000765731237 737150292 /nfs/dbraw/zinc/15/02/92/737150292.db2.gz ILTIGUPGHQTJFA-UHFFFAOYSA-N -1 1 368.231 2.739 20 10 FFCDMM CN(C)c1cc(C(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000765736628 737151357 /nfs/dbraw/zinc/15/13/57/737151357.db2.gz PUJUDHQZBRIHFG-UHFFFAOYSA-N -1 1 350.216 2.546 20 10 FFCDMM Cc1ccccc1NC(=O)C(=O)NCc1cccc(Br)c1[O-] ZINC000765904868 737171623 /nfs/dbraw/zinc/17/16/23/737171623.db2.gz ZUPIHUJZDUSQCC-UHFFFAOYSA-N -1 1 363.211 2.718 20 10 FFCDMM O=S(=O)(Cc1ccc(F)cc1)NCc1cccc(Br)c1[O-] ZINC000766199309 737206400 /nfs/dbraw/zinc/20/64/00/737206400.db2.gz CLSMKJOYXVMJNC-UHFFFAOYSA-N -1 1 374.231 2.913 20 10 FFCDMM COC(=O)c1ccc(NCc2cccc(Br)c2[O-])nc1OC ZINC000770143811 737600246 /nfs/dbraw/zinc/60/02/46/737600246.db2.gz CKTZFKBNXAVZOW-UHFFFAOYSA-N -1 1 367.199 2.957 20 10 FFCDMM O=C(COC(=O)c1cc(Br)ccc1O)c1ccc([O-])c(O)c1 ZINC000916590095 737713526 /nfs/dbraw/zinc/71/35/26/737713526.db2.gz HZUTUHSSUBMQGB-UHFFFAOYSA-N -1 1 367.151 2.606 20 10 FFCDMM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(O)c(Cl)c2)c(C)c1 ZINC000776751370 738229724 /nfs/dbraw/zinc/22/97/24/738229724.db2.gz UFNNEHQCGXWKSZ-UHFFFAOYSA-N -1 1 355.799 2.941 20 10 FFCDMM COc1cccc(Cl)c1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784736201 738915738 /nfs/dbraw/zinc/91/57/38/738915738.db2.gz RXQAINHYOIHMNP-UHFFFAOYSA-N -1 1 350.754 2.728 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])Nc1cccnc1N1CCOCC1 ZINC000929916885 739037484 /nfs/dbraw/zinc/03/74/84/739037484.db2.gz UEIYIVJYBJMRNQ-UHFFFAOYSA-N -1 1 362.817 2.599 20 10 FFCDMM COC(=O)c1ccc(C=C2SC(=S)[N-]C2=O)c(Br)c1 ZINC000789127641 739318091 /nfs/dbraw/zinc/31/80/91/739318091.db2.gz OLSXIZAYYHRNTQ-UITAMQMPSA-N -1 1 358.238 2.725 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000789943724 739398504 /nfs/dbraw/zinc/39/85/04/739398504.db2.gz CNADDFXSRHKJOW-UHFFFAOYSA-N -1 1 364.804 2.848 20 10 FFCDMM COc1cc(F)c([C@H](C)NC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000789979590 739401722 /nfs/dbraw/zinc/40/17/22/739401722.db2.gz SRRQQKXCAVIJOD-QMMMGPOBSA-N -1 1 353.321 2.884 20 10 FFCDMM Cc1cccc(CCNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000792238666 739654190 /nfs/dbraw/zinc/65/41/90/739654190.db2.gz VIIPHRGPXULHGF-UHFFFAOYSA-N -1 1 364.243 2.900 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000792703534 739696019 /nfs/dbraw/zinc/69/60/19/739696019.db2.gz YSHSJEMMTYZMDH-UHFFFAOYSA-N -1 1 352.437 2.873 20 10 FFCDMM CCOC(=O)C1(COC)CCN(Cc2cc(Cl)cc(F)c2[O-])CC1 ZINC000793365130 739774345 /nfs/dbraw/zinc/77/43/45/739774345.db2.gz CZAOLFIPTAFDQG-UHFFFAOYSA-N -1 1 359.825 2.976 20 10 FFCDMM COC(=O)CNC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000798081323 740302725 /nfs/dbraw/zinc/30/27/25/740302725.db2.gz JYJROFSZBPVNHQ-UHFFFAOYSA-N -1 1 366.776 2.700 20 10 FFCDMM Cc1c(C(=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808114185 741187898 /nfs/dbraw/zinc/18/78/98/741187898.db2.gz UCPPPFLMRHVUMV-UHFFFAOYSA-N -1 1 359.762 2.992 20 10 FFCDMM COC(=O)c1ccc(Cl)c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000811292322 741504155 /nfs/dbraw/zinc/50/41/55/741504155.db2.gz VMBOCBVBHKJZTK-UHFFFAOYSA-N -1 1 364.737 2.578 20 10 FFCDMM O=C(C[C@@H](O)Cc1ccccc1)NCc1cccc(Br)c1[O-] ZINC000813539488 741733047 /nfs/dbraw/zinc/73/30/47/741733047.db2.gz PHWIJFQYCLHICZ-AWEZNQCLSA-N -1 1 364.239 2.765 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(C)(C)O[C@@H]3COC[C@H]32)c1 ZINC000846118630 748411118 /nfs/dbraw/zinc/41/11/18/748411118.db2.gz QYGYJMFHGKGJLY-ZIAGYGMSSA-N -1 1 356.260 2.841 20 10 FFCDMM CCn1c(CNC(=O)c2cc(C)n(-c3ccccn3)c2C)n[n-]c1=S ZINC000066636502 845480371 /nfs/dbraw/zinc/48/03/71/845480371.db2.gz SXBCAVQPOVTAPF-UHFFFAOYSA-N -1 1 356.455 2.693 20 10 FFCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C\c1cnn(-c2ccc(Cl)cc2)c1 ZINC000728696789 970364286 /nfs/dbraw/zinc/36/42/86/970364286.db2.gz DLJKDGJZFYYJDW-YVLHZVERSA-N -1 1 364.792 2.987 20 10 FFCDMM COC(=O)[C@H]1[C@H](c2ccccc2)OCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534800 982623683 /nfs/dbraw/zinc/62/36/83/982623683.db2.gz XLFMVFNNKKXDOQ-MSOLQXFVSA-N -1 1 363.360 2.786 20 10 FFCDMM COc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1OC(F)F ZINC000916594129 989839289 /nfs/dbraw/zinc/83/92/89/989839289.db2.gz SDGDVZVVKVFQEJ-UHFFFAOYSA-N -1 1 368.288 2.748 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@H]1c1cccc(F)c1)cc2=O ZINC000846241455 1000241899 /nfs/dbraw/zinc/24/18/99/1000241899.db2.gz RFRVNSHHUVDTRS-HNNXBMFYSA-N -1 1 356.357 2.609 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)c1ccc(F)c([O-])c1 ZINC001147953342 1001014107 /nfs/dbraw/zinc/01/41/07/1001014107.db2.gz PGTKQKSTBCCCJA-UHFFFAOYSA-N -1 1 362.376 2.562 20 10 FFCDMM CCCCN1C[C@@]2(F)CN(Cc3cc(F)c(F)cc3[O-])C[C@@]2(F)C1=O ZINC001276193414 1016508937 /nfs/dbraw/zinc/50/89/37/1016508937.db2.gz ZJKVVIMUTDPWTP-DLBZAZTESA-N -1 1 360.351 2.545 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3C[C@@H](C)CC34CC4)cc12 ZINC001184360392 1002567663 /nfs/dbraw/zinc/56/76/63/1002567663.db2.gz GJBLRDHGTKAIOZ-ZDUSSCGKSA-N -1 1 370.449 2.640 20 10 FFCDMM COc1ccc2[nH]cc(C=CC(=O)NCC(=O)c3ccc([O-])c(O)c3)c2c1 ZINC001185755106 1003050960 /nfs/dbraw/zinc/05/09/60/1003050960.db2.gz BMOJLUWJUVCZFN-XVNBXDOJSA-N -1 1 366.373 2.600 20 10 FFCDMM COC(=O)c1ncc(NCC(=O)c2ccc([O-])c(O)c2)cc1C(F)(F)F ZINC001170314917 1003104823 /nfs/dbraw/zinc/10/48/23/1003104823.db2.gz KRSKNXGQTSAKKX-UHFFFAOYSA-N -1 1 370.283 2.593 20 10 FFCDMM O=C(CNc1ccn(Cc2cccc(F)c2)c(=O)c1)c1ccc([O-])c(O)c1 ZINC001170321008 1003109803 /nfs/dbraw/zinc/10/98/03/1003109803.db2.gz UUVOXXNVEWRRKG-UHFFFAOYSA-N -1 1 368.364 2.742 20 10 FFCDMM COc1cc(Br)nc(NCC(=O)c2ccc([O-])c(O)c2)c1 ZINC001170322207 1003109907 /nfs/dbraw/zinc/10/99/07/1003109907.db2.gz HFFBXLVPGKOPRJ-UHFFFAOYSA-N -1 1 353.172 2.559 20 10 FFCDMM [O-]c1c(I)cccc1CN1Cc2cccnc2C1 ZINC001237788472 1043357487 /nfs/dbraw/zinc/35/74/87/1043357487.db2.gz ZMBZEEPMCRQJFJ-UHFFFAOYSA-N -1 1 352.175 2.908 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)cc1F)c1c(Cl)nc2sccn21 ZINC001187139831 1003582257 /nfs/dbraw/zinc/58/22/57/1003582257.db2.gz HXTZJLUCLCSGMN-UHFFFAOYSA-N -1 1 365.770 2.834 20 10 FFCDMM O=S(=O)([N-]c1cc(F)c(O)c(F)c1)c1ccc(Br)cn1 ZINC001196159999 1003689687 /nfs/dbraw/zinc/68/96/87/1003689687.db2.gz FXQZGBDCRKPUKS-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM COC(=O)c1ccc(C2CN(C(=O)c3ccc(O)c([O-])c3Cl)C2)cc1 ZINC001193232930 1004411665 /nfs/dbraw/zinc/41/16/65/1004411665.db2.gz QYXYANVNYKOFQC-UHFFFAOYSA-N -1 1 361.781 2.777 20 10 FFCDMM Cc1ccc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)c2ccccc12 ZINC001193882090 1004596136 /nfs/dbraw/zinc/59/61/36/1004596136.db2.gz KJIGSELEZHOCLR-UHFFFAOYSA-N -1 1 371.414 2.721 20 10 FFCDMM CCCCn1cc(S(=O)(=O)NCc2cccc(Cl)c2[O-])c(C)n1 ZINC001195881511 1005067779 /nfs/dbraw/zinc/06/77/79/1005067779.db2.gz BAGSSBJTXXWXBE-UHFFFAOYSA-N -1 1 357.863 2.829 20 10 FFCDMM C[C@H](Cc1cnc2ccccc2n1)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000815464943 1006645623 /nfs/dbraw/zinc/64/56/23/1006645623.db2.gz UIDNWIZAWBBAHN-GFCCVEGCSA-N -1 1 366.373 2.646 20 10 FFCDMM COc1cc2ccccc2cc1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001152810278 1032234489 /nfs/dbraw/zinc/23/44/89/1032234489.db2.gz VVWTUBLWBRYYJH-UHFFFAOYSA-N -1 1 351.358 2.872 20 10 FFCDMM CCCCc1ccc(S(=O)(=O)NCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC001191262289 1007936675 /nfs/dbraw/zinc/93/66/75/1007936675.db2.gz HQWLUMYTGPFFJF-UHFFFAOYSA-N -1 1 363.435 2.602 20 10 FFCDMM Cc1oc(-c2ccccc2)nc1CC(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001177312933 1008559319 /nfs/dbraw/zinc/55/93/19/1008559319.db2.gz ALXCYLBDGDZCRR-UHFFFAOYSA-N -1 1 366.373 2.603 20 10 FFCDMM CCCCN1CC[C@]2(CCN(C(=O)c3ccc(O)c([O-])c3Cl)C2)C1=O ZINC001274706652 1011603063 /nfs/dbraw/zinc/60/30/63/1011603063.db2.gz ROEOXCIUAWIKCB-GOSISDBHSA-N -1 1 366.845 2.616 20 10 FFCDMM CCOCCN1C[C@]2(CC1=O)CCCCN2Cc1c([O-])cc(F)cc1F ZINC001275229672 1012109895 /nfs/dbraw/zinc/10/98/95/1012109895.db2.gz NLNADSDYTADQIF-LJQANCHMSA-N -1 1 368.424 2.664 20 10 FFCDMM COc1ccc(C[C@H](C)CNC(=O)c2c(F)ccc(O)c2[O-])cc1OC ZINC000827530501 1018424220 /nfs/dbraw/zinc/42/42/20/1018424220.db2.gz FXOUJHZTAJUEKK-NSHDSACASA-N -1 1 363.385 2.863 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001118503448 1022266630 /nfs/dbraw/zinc/26/66/30/1022266630.db2.gz VFAMGSGJDMOZFA-ILWJIGKKSA-N -1 1 361.186 2.998 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1C ZINC000155616215 1022269489 /nfs/dbraw/zinc/26/94/89/1022269489.db2.gz BSFWYSKGOVDQPZ-INIZCTEOSA-N -1 1 364.453 2.935 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@H]1CNCC(F)(F)C1)C(=O)c1ccccc1C2=O ZINC001218276395 1033080071 /nfs/dbraw/zinc/08/00/71/1033080071.db2.gz SAQWBAHUALDSPM-LLVKDONJSA-N -1 1 373.355 2.852 20 10 FFCDMM CCOC(=O)c1cnc(Cl)cc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159271509 1027329798 /nfs/dbraw/zinc/32/97/98/1027329798.db2.gz BIBFQCSQBUMKAN-UHFFFAOYSA-N -1 1 350.758 2.618 20 10 FFCDMM Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1c([O-])c(O)ccc1F ZINC001160692374 1027807093 /nfs/dbraw/zinc/80/70/93/1027807093.db2.gz DJGXUKZFQMJAAS-UHFFFAOYSA-N -1 1 366.776 2.957 20 10 FFCDMM CN(Cc1cnc(Cl)s1)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155223700 1028631850 /nfs/dbraw/zinc/63/18/50/1028631850.db2.gz IFWKAMOLMSEPIQ-UHFFFAOYSA-N -1 1 366.782 2.586 20 10 FFCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784687260 1030756028 /nfs/dbraw/zinc/75/60/28/1030756028.db2.gz YQFDPZOOEWDSPG-FLIBITNWSA-N -1 1 357.318 2.835 20 10 FFCDMM CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CC[N@H+]2Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001203580960 1030769831 /nfs/dbraw/zinc/76/98/31/1030769831.db2.gz ZEKTUSFJJRQIFF-KFWWJZLASA-N -1 1 373.280 2.955 20 10 FFCDMM CC(C)NC(=O)[C@@H]1C[C@@H]2[C@@H](CCN2Cc2cc(Cl)cc(Cl)c2[O-])O1 ZINC001203580960 1030769843 /nfs/dbraw/zinc/76/98/43/1030769843.db2.gz ZEKTUSFJJRQIFF-KFWWJZLASA-N -1 1 373.280 2.955 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1C[C@@H](O)C[N@@H+](Cc2cc(Cl)ccc2O)C1 ZINC001203648282 1030805625 /nfs/dbraw/zinc/80/56/25/1030805625.db2.gz HYDPLDRPMHNELO-ZIAGYGMSSA-N -1 1 356.850 2.506 20 10 FFCDMM COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784894617 1030870671 /nfs/dbraw/zinc/87/06/71/1030870671.db2.gz IAGSZJYVFTZPEV-DZGCQCFKSA-N -1 1 372.373 2.645 20 10 FFCDMM [O-]c1cc(O)c(CN2CCn3ncc(Br)c3C2)cc1Cl ZINC001232266761 1035538900 /nfs/dbraw/zinc/53/89/00/1035538900.db2.gz XZKKXXGDQDEZQB-UHFFFAOYSA-N -1 1 358.623 2.726 20 10 FFCDMM Oc1cc(I)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001232980203 1036214395 /nfs/dbraw/zinc/21/43/95/1036214395.db2.gz NNAXDXIBGGCTKP-AWEZNQCLSA-N -1 1 359.207 2.752 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2ccccn2)c1 ZINC001233305659 1036511464 /nfs/dbraw/zinc/51/14/64/1036511464.db2.gz OMSPIGPGNQEZTI-UHFFFAOYSA-N -1 1 365.227 2.968 20 10 FFCDMM CCOC1CCN(Cc2cc(C(=O)OC)cc(Br)c2[O-])CC1 ZINC001233307655 1036512146 /nfs/dbraw/zinc/51/21/46/1036512146.db2.gz MBJPZGCBBLGGBV-UHFFFAOYSA-N -1 1 372.259 2.942 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC(C(C)=O)CC2)c1 ZINC001233308245 1036514975 /nfs/dbraw/zinc/51/49/75/1036514975.db2.gz IRGNZKZTHWTCLA-UHFFFAOYSA-N -1 1 370.243 2.742 20 10 FFCDMM Cn1nc(COCC2CC2)c2c1CCN(Cc1c([O-])ccc(F)c1F)C2 ZINC001233333578 1036540186 /nfs/dbraw/zinc/54/01/86/1036540186.db2.gz AVKRRFUHWYDXBZ-UHFFFAOYSA-N -1 1 363.408 2.889 20 10 FFCDMM CC(C)(C)OC(=O)NC(=O)[C@@H]1CCCN1Cc1c([O-])ccc(F)c1F ZINC001233335858 1036541518 /nfs/dbraw/zinc/54/15/18/1036541518.db2.gz ONPFQENOAWLWSF-LBPRGKRZSA-N -1 1 356.369 2.686 20 10 FFCDMM [O-]c1c(CN2CCOC[C@@](O)(C(F)(F)F)C2)cccc1C(F)(F)F ZINC001233415743 1036610030 /nfs/dbraw/zinc/61/00/30/1036610030.db2.gz HIQFZOYYKYQOLZ-GFCCVEGCSA-N -1 1 359.266 2.537 20 10 FFCDMM CCOC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2nnn(C)c21 ZINC001233417385 1036610102 /nfs/dbraw/zinc/61/01/02/1036610102.db2.gz SGFYHFCJYTXEPY-LBPRGKRZSA-N -1 1 370.375 2.675 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1=O ZINC001233418382 1036611538 /nfs/dbraw/zinc/61/15/38/1036611538.db2.gz FCZOGALEBGTGCR-UHFFFAOYSA-N -1 1 374.359 2.990 20 10 FFCDMM CC(=O)[C@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(Cl)cc(F)c1[O-] ZINC001277387103 1036670910 /nfs/dbraw/zinc/67/09/10/1036670910.db2.gz FSGCXRABBORBTD-AMKSKSKJSA-N -1 1 368.836 2.728 20 10 FFCDMM CCCCN1CC2(CN(Cc3cc(Cl)c(Cl)cc3[O-])C2)OCC1=O ZINC001277831534 1036917910 /nfs/dbraw/zinc/91/79/10/1036917910.db2.gz YETVHYJXRMDKGV-UHFFFAOYSA-N -1 1 373.280 2.912 20 10 FFCDMM O=C1COC2(C1)CCN(Cc1cc(Br)cc(F)c1[O-])CC2 ZINC001235057978 1037330014 /nfs/dbraw/zinc/33/00/14/1037330014.db2.gz GIGIUANTJQVPMS-UHFFFAOYSA-N -1 1 358.207 2.618 20 10 FFCDMM O=C1CC[C@]2(CCCN(Cc3cc(Br)cc(F)c3[O-])C2)O1 ZINC001235067746 1037340077 /nfs/dbraw/zinc/34/00/77/1037340077.db2.gz ZGHQLFZKIOHCFM-HNNXBMFYSA-N -1 1 358.207 2.965 20 10 FFCDMM CC[N@@H+](Cc1cc(C(=O)[O-])ccc1O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231566183 1037688653 /nfs/dbraw/zinc/68/86/53/1037688653.db2.gz TVMIXXPDTKTQNW-OAHLLOKOSA-N -1 1 364.442 2.922 20 10 FFCDMM CC[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231566183 1037688665 /nfs/dbraw/zinc/68/86/65/1037688665.db2.gz TVMIXXPDTKTQNW-OAHLLOKOSA-N -1 1 364.442 2.922 20 10 FFCDMM CC[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001231566183 1037688676 /nfs/dbraw/zinc/68/86/76/1037688676.db2.gz TVMIXXPDTKTQNW-OAHLLOKOSA-N -1 1 364.442 2.922 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(O)c(O)c1)c1cc(Cl)sc1Cl ZINC001260473135 1040615677 /nfs/dbraw/zinc/61/56/77/1040615677.db2.gz UOTVALKQGDWPEC-UHFFFAOYSA-N -1 1 354.236 2.945 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1ccc(C(F)(F)F)cn1 ZINC001214006789 1041157548 /nfs/dbraw/zinc/15/75/48/1041157548.db2.gz YCFSRPHNEOPTOU-UHFFFAOYSA-N -1 1 366.748 2.938 20 10 FFCDMM CC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](Cc2cc(F)cc(F)c2O)C1 ZINC001262110060 1041563810 /nfs/dbraw/zinc/56/38/10/1041563810.db2.gz PJIXFEOOTBIENW-LLVKDONJSA-N -1 1 350.369 2.732 20 10 FFCDMM O=C(Cc1ccsc1)N1CC2(CN(Cc3cccc(Cl)c3[O-])C2)C1 ZINC001279441549 1043115835 /nfs/dbraw/zinc/11/58/35/1043115835.db2.gz DXVDOZFWVYTOPV-UHFFFAOYSA-N -1 1 362.882 2.994 20 10 FFCDMM CCN(C)C(=O)CO[C@H]1CCCN(Cc2cc(Cl)cc(F)c2[O-])C1 ZINC001237623375 1043279230 /nfs/dbraw/zinc/27/92/30/1043279230.db2.gz CTXLTFPMYSGGAH-AWEZNQCLSA-N -1 1 358.841 2.644 20 10 FFCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(F)cc(Cl)c2[O-])C1)N1CCCC1 ZINC001237803026 1043368208 /nfs/dbraw/zinc/36/82/08/1043368208.db2.gz PYWWVSFZNNGXQV-CQSZACIVSA-N -1 1 355.841 2.955 20 10 FFCDMM CCn1ccnc1CN1CC2(C1)CN(Cc1c([O-])ccc(F)c1Cl)C2 ZINC001279684746 1043465551 /nfs/dbraw/zinc/46/55/51/1043465551.db2.gz RUCPRXKTLUWLSI-UHFFFAOYSA-N -1 1 364.852 2.719 20 10 FFCDMM COc1cc(F)cc(F)c1S(=O)(=O)[N-]Cc1ccc(N(C)C)cc1 ZINC001318713922 1044828565 /nfs/dbraw/zinc/82/85/65/1044828565.db2.gz NTYMGAOLUCUZSR-UHFFFAOYSA-N -1 1 356.394 2.518 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C(=O)CC(C)C)CC2)c1[O-] ZINC001319417933 1045143635 /nfs/dbraw/zinc/14/36/35/1045143635.db2.gz LDVOTKIRCGEPQD-UHFFFAOYSA-N -1 1 352.862 2.939 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2cc([N+](=O)[O-])c[n-]c2=O)cc1F ZINC000731372730 1047284992 /nfs/dbraw/zinc/28/49/92/1047284992.db2.gz BMXPCBXIQBIZKV-UHFFFAOYSA-N -1 1 362.361 2.611 20 10 FFCDMM COC(=O)c1cc(Br)oc1CNCc1c([O-])cccc1F ZINC001308947389 1052523640 /nfs/dbraw/zinc/52/36/40/1052523640.db2.gz DHXFMNGFDCLHEJ-UHFFFAOYSA-N -1 1 358.163 2.963 20 10 FFCDMM C[C@@]1(CNC(=O)NCc2cccc(Br)c2[O-])CCCCO1 ZINC001479464598 1062436036 /nfs/dbraw/zinc/43/60/36/1062436036.db2.gz TVLMUTVESNYQBW-HNNXBMFYSA-N -1 1 357.248 2.913 20 10 FFCDMM COC(=O)c1sccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001568610341 1077102622 /nfs/dbraw/zinc/10/26/22/1077102622.db2.gz MLTJGWMHMVLRNG-UHFFFAOYSA-N -1 1 370.224 2.933 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc2c(=O)[nH]cnc2c1 ZINC001568609765 1077102814 /nfs/dbraw/zinc/10/28/14/1077102814.db2.gz BDIVKCCGMIPMQC-UHFFFAOYSA-N -1 1 374.194 2.734 20 10 FFCDMM C[C@@H](Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984626 1080922185 /nfs/dbraw/zinc/92/21/85/1080922185.db2.gz RJKQCMOWXLHOMC-LLVKDONJSA-N -1 1 364.409 2.638 20 10 FFCDMM C[C@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])CC[C@H]1NC(=O)OC(C)(C)C ZINC000295935000 511560140 /nfs/dbraw/zinc/56/01/40/511560140.db2.gz SQKOGXHRKHABFT-CMPLNLGQSA-N -1 1 368.405 2.612 20 10 FFCDMM [O-]c1c(F)cccc1CN1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000275283660 512096075 /nfs/dbraw/zinc/09/60/75/512096075.db2.gz NKLOPJTUROXTMI-UHFFFAOYSA-N -1 1 362.352 2.724 20 10 FFCDMM O=C(Cn1cnnc1-c1nn[n-]n1)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000737989463 598876472 /nfs/dbraw/zinc/87/64/72/598876472.db2.gz YSAUWRPZNCPVNU-UHFFFAOYSA-N -1 1 374.368 2.512 20 10 FFCDMM Cc1nc([C@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)n[nH]1 ZINC000832996762 602138514 /nfs/dbraw/zinc/13/85/14/602138514.db2.gz DVMIYJIFRHKUQC-VGVVRCBHSA-N -1 1 357.370 2.503 20 10 FFCDMM Cc1nnc([C@H]2CCCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])C2)[nH]1 ZINC000832996762 602138517 /nfs/dbraw/zinc/13/85/17/602138517.db2.gz DVMIYJIFRHKUQC-VGVVRCBHSA-N -1 1 357.370 2.503 20 10 FFCDMM COc1ccc(O)c(CN(CC(=O)[O-])Cc2cc(Cl)ccc2O)c1 ZINC000833733190 605241790 /nfs/dbraw/zinc/24/17/90/605241790.db2.gz BVGSVOGKSPZABZ-UHFFFAOYSA-N -1 1 351.786 2.847 20 10 FFCDMM O=S(=O)([N-]c1cccc(N2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000041374228 727939846 /nfs/dbraw/zinc/93/98/46/727939846.db2.gz ABRHTDJACLFZAE-UHFFFAOYSA-N -1 1 352.843 2.977 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(C3=NC[C@@H](C)S3)CC2)c1[O-] ZINC000079497761 728313740 /nfs/dbraw/zinc/31/37/40/728313740.db2.gz GBJZAXZWAAFWKY-LLVKDONJSA-N -1 1 367.902 2.857 20 10 FFCDMM Cc1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])c(Cl)c1 ZINC000093900789 728478438 /nfs/dbraw/zinc/47/84/38/728478438.db2.gz UVROSFDDTLSQFE-UHFFFAOYSA-N -1 1 354.815 2.978 20 10 FFCDMM Cc1cc(C(=O)Nc2nnn[n-]2)c(C)n1-c1ccccc1Br ZINC000135469217 728738393 /nfs/dbraw/zinc/73/83/93/728738393.db2.gz NWPBDFHCHJBZDB-UHFFFAOYSA-N -1 1 361.203 2.622 20 10 FFCDMM Cc1cc(C(=O)Nc2nn[n-]n2)c(C)n1-c1ccccc1Br ZINC000135469217 728738394 /nfs/dbraw/zinc/73/83/94/728738394.db2.gz NWPBDFHCHJBZDB-UHFFFAOYSA-N -1 1 361.203 2.622 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2Cc3ccccc3C[C@H]2C(N)=O)c1[O-] ZINC000177234783 729132416 /nfs/dbraw/zinc/13/24/16/729132416.db2.gz FYFNUGIKGIUGDY-KRWDZBQOSA-N -1 1 358.825 2.660 20 10 FFCDMM CCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])[C@@H]1CCS(=O)(=O)C1 ZINC000177253221 729132969 /nfs/dbraw/zinc/13/29/69/729132969.db2.gz SKJMTKLTDGMQIW-CQSZACIVSA-N -1 1 359.875 2.647 20 10 FFCDMM Cc1cc(-c2noc(-c3cc(NS(C)(=O)=O)ccc3[O-])n2)ccc1F ZINC000184849912 729334892 /nfs/dbraw/zinc/33/48/92/729334892.db2.gz QCRISPUUMXHKTQ-UHFFFAOYSA-N -1 1 363.370 2.928 20 10 FFCDMM C[C@@H](OCc1ccncc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000867832782 731231982 /nfs/dbraw/zinc/23/19/82/731231982.db2.gz QLKCTLAOUOGTCR-LLVKDONJSA-N -1 1 365.227 2.771 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCO[C@H]([C@@H]3CCCO3)C2)c1 ZINC000781910350 738671299 /nfs/dbraw/zinc/67/12/99/738671299.db2.gz UPZNCTKCGAIAEC-GJZGRUSLSA-N -1 1 356.260 2.843 20 10 FFCDMM CC[C@H](C)C(=O)N1CSC[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890757895 734336406 /nfs/dbraw/zinc/33/64/06/734336406.db2.gz MFDQIAKQSJBDCU-GXFFZTMASA-N -1 1 356.875 2.609 20 10 FFCDMM Cc1c(Cl)cccc1OCC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000783727941 738830144 /nfs/dbraw/zinc/83/01/44/738830144.db2.gz AFPSYNPXONDQGX-UHFFFAOYSA-N -1 1 350.754 2.865 20 10 FFCDMM O=C(NCc1nccn1CC(F)(F)F)NCc1cccc(Cl)c1[O-] ZINC000892730275 734597192 /nfs/dbraw/zinc/59/71/92/734597192.db2.gz GTSXFFVSFRGNDQ-UHFFFAOYSA-N -1 1 362.739 2.804 20 10 FFCDMM O=C1CCCN1[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC000894014554 734786812 /nfs/dbraw/zinc/78/68/12/734786812.db2.gz MQLUVBJZCQBXGT-CYBMUJFWSA-N -1 1 371.250 2.881 20 10 FFCDMM Cc1cc([N+](=O)[O-])cc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000748639489 735660412 /nfs/dbraw/zinc/66/04/12/735660412.db2.gz GFXCIEYTZIQCQI-UHFFFAOYSA-N -1 1 350.352 2.741 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCc3ccccc3[C@@H]2C(N)=O)c1[O-] ZINC000750045840 735768162 /nfs/dbraw/zinc/76/81/62/735768162.db2.gz YMBFVRVQNJITLS-QGZVFWFLSA-N -1 1 358.825 2.833 20 10 FFCDMM CCCN1CCCN(Cc2cc(C)cc(Br)c2[O-])CC1=O ZINC000788270504 739226201 /nfs/dbraw/zinc/22/62/01/739226201.db2.gz ZFYAXXWHEKXEBU-UHFFFAOYSA-N -1 1 355.276 2.907 20 10 FFCDMM CCOC(=O)c1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1[O-] ZINC000753017637 736031856 /nfs/dbraw/zinc/03/18/56/736031856.db2.gz NCXGURXMTDVSHV-UHFFFAOYSA-N -1 1 357.334 2.648 20 10 FFCDMM COc1ncccc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764762464 737046895 /nfs/dbraw/zinc/04/68/95/737046895.db2.gz SCZSCNVJOXHSGK-UHFFFAOYSA-N -1 1 366.215 2.558 20 10 FFCDMM O=C(COc1ccccc1F)NCc1cccc(Br)c1[O-] ZINC000765751550 737153608 /nfs/dbraw/zinc/15/36/08/737153608.db2.gz FZLHSVSARJDDIQ-UHFFFAOYSA-N -1 1 354.175 2.989 20 10 FFCDMM COC(=O)[C@@H](COC(C)C)N(C)Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000766232055 737211127 /nfs/dbraw/zinc/21/11/27/737211127.db2.gz ZNIGYIRKTVZDMB-OAHLLOKOSA-N -1 1 357.834 2.647 20 10 FFCDMM O=[N+]([O-])c1cc(Cl)cc(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c1[O-] ZINC000769381297 737522542 /nfs/dbraw/zinc/52/25/42/737522542.db2.gz NVIJECYTWBELHR-BXKDBHETSA-N -1 1 354.712 2.841 20 10 FFCDMM CCCOc1ccccc1NC=C1C(=O)[N-]C(=S)N(CC(C)C)C1=O ZINC000920979874 737937935 /nfs/dbraw/zinc/93/79/35/737937935.db2.gz LYYZFXNVRRQMEG-JLHYYAGUSA-N -1 1 361.467 2.671 20 10 FFCDMM CCc1ccc([C@@H](C)NC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)cc1 ZINC000920980341 737937952 /nfs/dbraw/zinc/93/79/52/737937952.db2.gz JJYHGQNWTODQQZ-BVTUPMQUSA-N -1 1 359.495 2.683 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@@H]1CCC(=O)c2cccn21 ZINC000790065904 739415566 /nfs/dbraw/zinc/41/55/66/739415566.db2.gz YKMZYYRWWHUQEL-ZDUSSCGKSA-N -1 1 363.211 2.790 20 10 FFCDMM CSc1ccccc1NC(=O)CN(C)C(=O)c1c(F)ccc(O)c1[O-] ZINC000790070197 739416575 /nfs/dbraw/zinc/41/65/75/739416575.db2.gz KIVBWTZARJSTCA-UHFFFAOYSA-N -1 1 364.398 2.670 20 10 FFCDMM CCc1cc(O)ccc1[N-]S(=O)(=O)c1cc(C(=O)OC)cc(F)c1C ZINC000790417830 739451520 /nfs/dbraw/zinc/45/15/20/739451520.db2.gz QFABWEXTWBRDID-UHFFFAOYSA-N -1 1 367.398 2.990 20 10 FFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC000792701977 739695364 /nfs/dbraw/zinc/69/53/64/739695364.db2.gz KHVQGXCTUPSYAJ-UHFFFAOYSA-N -1 1 357.384 2.752 20 10 FFCDMM CSc1cc(O)ccc1[N-]S(=O)(=O)c1cccc(C(=O)N(C)C)c1 ZINC000792703563 739695969 /nfs/dbraw/zinc/69/59/69/739695969.db2.gz ZJAOMJOHWKXZTI-UHFFFAOYSA-N -1 1 366.464 2.617 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCCS(=O)(=O)C[C@H]2C2CC2)c1[O-] ZINC000933923039 739706572 /nfs/dbraw/zinc/70/65/72/739706572.db2.gz MNNOLDVXEJEDJS-INIZCTEOSA-N -1 1 371.886 2.647 20 10 FFCDMM CCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1C ZINC000795305504 740000979 /nfs/dbraw/zinc/00/09/79/740000979.db2.gz VOLQWQJGXXTUCF-UHFFFAOYSA-N -1 1 360.482 2.619 20 10 FFCDMM COc1cc(NC(=O)NCc2cccc(Br)c2[O-])ccn1 ZINC000806665079 741079563 /nfs/dbraw/zinc/07/95/63/741079563.db2.gz HCWXNGAZMXXRFO-UHFFFAOYSA-N -1 1 352.188 2.880 20 10 FFCDMM O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1F ZINC000807106731 741111186 /nfs/dbraw/zinc/11/11/86/741111186.db2.gz AHLDDNWAUODKBS-AWEZNQCLSA-N -1 1 363.820 2.974 20 10 FFCDMM CNS(=O)(=O)c1ccc2c(c1)N(Cc1cc(Cl)c(F)cc1[O-])CC2 ZINC000816589769 742044753 /nfs/dbraw/zinc/04/47/53/742044753.db2.gz IJLXETWTPAPBNQ-UHFFFAOYSA-N -1 1 370.833 2.656 20 10 FFCDMM CCc1cc(NC(=O)NCc2cccc(Br)c2[O-])nn1C ZINC000817332870 742125378 /nfs/dbraw/zinc/12/53/78/742125378.db2.gz UTFVHVFYKFTFFN-UHFFFAOYSA-N -1 1 353.220 2.772 20 10 FFCDMM COCc1cc(O)ccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1C ZINC000840917245 747224605 /nfs/dbraw/zinc/22/46/05/747224605.db2.gz IKUWQIWUHKNXBE-UHFFFAOYSA-N -1 1 366.395 2.864 20 10 FFCDMM CO[C@@H](CC(=O)NCc1cccc(Br)c1[O-])C(F)(F)F ZINC000846013576 748382928 /nfs/dbraw/zinc/38/29/28/748382928.db2.gz CNRDZTLOZOPYIF-VIFPVBQESA-N -1 1 356.138 2.738 20 10 FFCDMM COc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3cccc(F)c3F)C2)cc1 ZINC000849416180 749142714 /nfs/dbraw/zinc/14/27/14/749142714.db2.gz LWHOKWFBKWVMHC-GFCCVEGCSA-N -1 1 368.405 2.531 20 10 FFCDMM C[C@H]1CCC[C@H](CNC(=O)NCc2cccc(Br)c2[O-])O1 ZINC000852580089 749896102 /nfs/dbraw/zinc/89/61/02/749896102.db2.gz LWIFTLDSGLTSME-CMPLNLGQSA-N -1 1 357.248 2.912 20 10 FFCDMM O=C(COC(=O)c1cc2cccc([N+](=O)[O-])c2[nH]1)c1ccc([O-])c(O)c1 ZINC000783084414 970798174 /nfs/dbraw/zinc/79/81/74/970798174.db2.gz TWXHFFKMWAENOU-UHFFFAOYSA-N -1 1 356.290 2.527 20 10 FFCDMM C[C@@H]1Oc2ccccc2N(CCC(=O)NCc2cccc(Cl)c2[O-])C1=O ZINC000890758469 960319558 /nfs/dbraw/zinc/31/95/58/960319558.db2.gz ZMEMVTFEOPGCOD-LBPRGKRZSA-N -1 1 374.824 2.866 20 10 FFCDMM CCN1C(=O)C[C@H](C(=O)NCc2cccc(Cl)c2[O-])[C@H]1c1cccnc1 ZINC000890761784 960326638 /nfs/dbraw/zinc/32/66/38/960326638.db2.gz XYQADPMTKOKKCG-WMLDXEAASA-N -1 1 373.840 2.667 20 10 FFCDMM CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001275951945 1013220601 /nfs/dbraw/zinc/22/06/01/1013220601.db2.gz REORYPRJBAHWNQ-DJJJIMSYSA-N -1 1 368.424 2.520 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3cnccn3)[C@@H](C)C2)c1[O-] ZINC001177015905 1013829713 /nfs/dbraw/zinc/82/97/13/1013829713.db2.gz SEXXGGWDYUUIED-LBPRGKRZSA-N -1 1 360.845 2.749 20 10 FFCDMM CCOc1cccc2c1OCC(C(=O)OCC(=O)c1ccc([O-])c(O)c1)=C2 ZINC000782941760 970014698 /nfs/dbraw/zinc/01/46/98/970014698.db2.gz JKICBFXGWMOADK-UHFFFAOYSA-N -1 1 370.357 2.698 20 10 FFCDMM COc1ccc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000916589997 989831145 /nfs/dbraw/zinc/83/11/45/989831145.db2.gz UOIKNJUOVAEDBX-YWEYNIOJSA-N -1 1 358.346 2.554 20 10 FFCDMM O=C1OCCC12CCN(Cc1cc(Br)c(F)cc1[O-])CC2 ZINC001144308437 998307318 /nfs/dbraw/zinc/30/73/18/998307318.db2.gz YQJCYNKXTSTGIQ-UHFFFAOYSA-N -1 1 358.207 2.823 20 10 FFCDMM O=C([O-])c1cnn2c1[nH]c(CN1CCC[C@@H]1/C=C/c1ccccc1)cc2=O ZINC000846257259 1000246999 /nfs/dbraw/zinc/24/69/99/1000246999.db2.gz NYMOROYEYIPNLP-ROJDOSBLSA-N -1 1 364.405 2.811 20 10 FFCDMM Cc1nc2cc(=O)[n-]n2c(C)c1CCC(=O)NCc1cc(Cl)ccc1O ZINC000846471900 1000323590 /nfs/dbraw/zinc/32/35/90/1000323590.db2.gz CNGKULNPUAMHEK-UHFFFAOYSA-N -1 1 374.828 2.660 20 10 FFCDMM CC(C)(C)OC(=O)NCC1(CCNC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000846659593 1000402864 /nfs/dbraw/zinc/40/28/64/1000402864.db2.gz TYZFAMBJOBDBGT-UHFFFAOYSA-N -1 1 368.405 2.662 20 10 FFCDMM COc1c([O-])c(CN(C)CC(=O)N(C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000774835401 1002821585 /nfs/dbraw/zinc/82/15/85/1002821585.db2.gz LBRMPUYDSQKYEM-UHFFFAOYSA-N -1 1 365.430 2.532 20 10 FFCDMM O=C(CNC(=O)c1ccc(OCC2CC2)cc1F)c1ccc([O-])c(O)c1 ZINC001185880579 1003115598 /nfs/dbraw/zinc/11/55/98/1003115598.db2.gz UGLMAZZRLDJNMT-UHFFFAOYSA-N -1 1 359.353 2.638 20 10 FFCDMM CSc1cccc(-n2c(C)cc(C(=O)COC(=O)c3cn[n-]n3)c2C)c1 ZINC000805604495 1004055478 /nfs/dbraw/zinc/05/54/78/1004055478.db2.gz LFLCYUGSDALXEE-UHFFFAOYSA-N -1 1 370.434 2.974 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1CCN(c2nccc3occc32)CC1 ZINC001193225042 1004428617 /nfs/dbraw/zinc/42/86/17/1004428617.db2.gz GLRWGDUBFDAFDY-UHFFFAOYSA-N -1 1 373.796 2.855 20 10 FFCDMM O=C(NCc1ccc(N2CCC(O)CC2)cc1)c1c(F)ccc([O-])c1F ZINC000856213732 1007729835 /nfs/dbraw/zinc/72/98/35/1007729835.db2.gz VOLIJJGFJANWGP-UHFFFAOYSA-N -1 1 362.376 2.562 20 10 FFCDMM COc1ccc2c(c1)CC[C@@H](CC(=O)NCC(=O)c1ccc([O-])c(O)c1)C2 ZINC001178919191 1009194239 /nfs/dbraw/zinc/19/42/39/1009194239.db2.gz NCLNLDAJECRBQX-CYBMUJFWSA-N -1 1 369.417 2.601 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000828755858 1032824923 /nfs/dbraw/zinc/82/49/23/1032824923.db2.gz RHYOAXLLPNVOLV-UHFFFAOYSA-N -1 1 363.360 2.586 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1Cc2ccccc2OC2(CCOCC2)C1 ZINC000900525261 1020471239 /nfs/dbraw/zinc/47/12/39/1020471239.db2.gz RKMAPCAMLURHBX-UHFFFAOYSA-N -1 1 373.380 2.821 20 10 FFCDMM NC(=O)Nc1cc(NC(=O)NCc2cccc(Cl)c2[O-])ccc1F ZINC001218370549 1033127631 /nfs/dbraw/zinc/12/76/31/1033127631.db2.gz LAJVEYBWTFIZFB-UHFFFAOYSA-N -1 1 352.753 2.997 20 10 FFCDMM O=C(c1c[n-]c(=O)c([N+](=O)[O-])c1)N(Cc1ccco1)Cc1ccccc1O ZINC000193595817 1024597564 /nfs/dbraw/zinc/59/75/64/1024597564.db2.gz OUTHYJUJDVNZTF-UHFFFAOYSA-N -1 1 369.333 2.837 20 10 FFCDMM CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000829639774 1033259103 /nfs/dbraw/zinc/25/91/03/1033259103.db2.gz INVQFLZHTPFHFA-NSHDSACASA-N -1 1 368.405 2.756 20 10 FFCDMM C[C@H]1CCCN(C(=O)c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nc2)C1 ZINC001159278828 1027331710 /nfs/dbraw/zinc/33/17/10/1027331710.db2.gz CSMALNSRLSSTMF-ZDUSSCGKSA-N -1 1 369.421 2.660 20 10 FFCDMM COc1ccc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)c(Cl)n1 ZINC001159275994 1027332239 /nfs/dbraw/zinc/33/22/39/1027332239.db2.gz CEJJSHOKIBTAIK-UHFFFAOYSA-N -1 1 358.728 2.677 20 10 FFCDMM O=C(Nc1cn2c(cccc2Cl)n1)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155223079 1028631982 /nfs/dbraw/zinc/63/19/82/1028631982.db2.gz ZQTVCFRTARCQDH-UHFFFAOYSA-N -1 1 371.736 2.758 20 10 FFCDMM CN(CC/C=C/c1cccnc1)C(=O)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155225757 1028633091 /nfs/dbraw/zinc/63/30/91/1028633091.db2.gz OEVDDWNOGCYKSE-GORDUTHDSA-N -1 1 366.373 2.775 20 10 FFCDMM CC(C)(NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)C(=O)c1ccccc1 ZINC001155231233 1028637218 /nfs/dbraw/zinc/63/72/18/1028637218.db2.gz HSPRFRHBLPLPQE-UHFFFAOYSA-N -1 1 367.357 2.596 20 10 FFCDMM O=C(Nc1ccc2c[nH]nc2c1Cl)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155232740 1028638902 /nfs/dbraw/zinc/63/89/02/1028638902.db2.gz WUQAWCPGWIFJDJ-UHFFFAOYSA-N -1 1 371.736 2.986 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@@H+]2CCOCC3(CC3)C2)c1[O-] ZINC000782296220 1029646846 /nfs/dbraw/zinc/64/68/46/1029646846.db2.gz LAHXKHWNXDZBHS-UHFFFAOYSA-N -1 1 353.418 2.941 20 10 FFCDMM O=C(c1ccccc1)c1ccc([O-])c(C[N@H+]2CCOCC3(CC3)C2)c1[O-] ZINC000782296220 1029646849 /nfs/dbraw/zinc/64/68/49/1029646849.db2.gz LAHXKHWNXDZBHS-UHFFFAOYSA-N -1 1 353.418 2.941 20 10 FFCDMM Cc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cnn1-c1cccc(C)c1 ZINC000782303252 1029648093 /nfs/dbraw/zinc/64/80/93/1029648093.db2.gz KPTCKMFEDPDQRT-UHFFFAOYSA-N -1 1 366.373 2.940 20 10 FFCDMM C[C@H](Oc1ccc2c(c1)CCC2)C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782861827 1029839494 /nfs/dbraw/zinc/83/94/94/1029839494.db2.gz OGYBRWYXCRFRNE-LBPRGKRZSA-N -1 1 356.374 2.780 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)nn1-c1ccccc1 ZINC000783011317 1029878939 /nfs/dbraw/zinc/87/89/39/1029878939.db2.gz SIBMIFBKKXROSS-UHFFFAOYSA-N -1 1 352.346 2.632 20 10 FFCDMM COC[C@H]1CN(Cc2cccc(F)c2[O-])CCN1C(=O)OC(C)(C)C ZINC001138123724 1033801843 /nfs/dbraw/zinc/80/18/43/1033801843.db2.gz JADNMCOYXAFNDV-CQSZACIVSA-N -1 1 354.422 2.599 20 10 FFCDMM CN1CC[C@H](Oc2cc([O-])cc3oc(-c4ccc(O)c(O)c4)cc(=O)c23)C1 ZINC001227029249 1034914175 /nfs/dbraw/zinc/91/41/75/1034914175.db2.gz GRSUEDXWNCQKSJ-ZDUSSCGKSA-N -1 1 369.373 2.660 20 10 FFCDMM O=C(NCc1cn2c(n1)CN(Cc1ccc(Cl)cc1[O-])CC2)C1CCC1 ZINC001140467883 1035486254 /nfs/dbraw/zinc/48/62/54/1035486254.db2.gz YWQVJGBPABMDDV-UHFFFAOYSA-N -1 1 374.872 2.674 20 10 FFCDMM C=CC(=O)OC[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580440 1035615654 /nfs/dbraw/zinc/61/56/54/1035615654.db2.gz PYJSLSQRJQLECO-LLVKDONJSA-N -1 1 352.342 2.664 20 10 FFCDMM CC1=C[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)CC(=O)O1 ZINC001227580003 1035616299 /nfs/dbraw/zinc/61/62/99/1035616299.db2.gz DJXXWWCMBUYUET-NSHDSACASA-N -1 1 350.326 2.766 20 10 FFCDMM CCOCC(COCC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227580075 1035616858 /nfs/dbraw/zinc/61/68/58/1035616858.db2.gz GFFWKACAGCFANJ-UHFFFAOYSA-N -1 1 370.401 2.988 20 10 FFCDMM COC(=O)[C@H]1CN(Cc2c([O-])cc(Br)cc2F)CC12CC2 ZINC001233032520 1036270639 /nfs/dbraw/zinc/27/06/39/1036270639.db2.gz HRHBSPXMTXQAKT-LLVKDONJSA-N -1 1 358.207 2.679 20 10 FFCDMM CC[C@H](C)N1C[C@@]2(CCN(Cc3cc(Cl)cc(F)c3[O-])C2)OCC1=O ZINC001277387068 1036671646 /nfs/dbraw/zinc/67/16/46/1036671646.db2.gz DTLBAQWXAKMKOQ-SGTLLEGYSA-N -1 1 370.852 2.787 20 10 FFCDMM Cc1c([O-])cc2c(c1O[C@@H]1CCOC[C@@H]1F)C(=O)c1ccccc1C2=O ZINC001229828729 1036923501 /nfs/dbraw/zinc/92/35/01/1036923501.db2.gz FBXFYNJXQSKCAH-GOEBONIOSA-N -1 1 356.349 2.982 20 10 FFCDMM CC(=O)[C@@H](C)N1C(=O)CC[C@@H]2[C@H]1CCN2Cc1cc(F)cc(Cl)c1[O-] ZINC001277506539 1037534561 /nfs/dbraw/zinc/53/45/61/1037534561.db2.gz IPGNGHSISOROOG-UHNFBRDESA-N -1 1 368.836 2.728 20 10 FFCDMM CC(C)OCc1ncn2c1CN(Cc1cc(C(=O)[O-])ccc1O)CCC2 ZINC001231564051 1037686613 /nfs/dbraw/zinc/68/66/13/1037686613.db2.gz NEYIZHXVBSEKBD-UHFFFAOYSA-N -1 1 359.426 2.618 20 10 FFCDMM Cc1ccnc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC001251413029 1039118194 /nfs/dbraw/zinc/11/81/94/1039118194.db2.gz FJUQFPJWJJRFJQ-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1COc2cc(F)ccc2C1 ZINC001253292766 1040104513 /nfs/dbraw/zinc/10/45/13/1040104513.db2.gz RAEOWAISIVFCCP-CYBMUJFWSA-N -1 1 350.777 2.988 20 10 FFCDMM O=S(=O)([N-]c1cc2nsnc2cc1Cl)c1cccc2nonc21 ZINC001260441755 1040592539 /nfs/dbraw/zinc/59/25/39/1040592539.db2.gz WVNBLVSKWBVUJZ-UHFFFAOYSA-N -1 1 367.799 2.682 20 10 FFCDMM O=C(CNC(=S)NCCc1ccc(Cl)cc1)c1ccc([O-])c(O)c1 ZINC001249771006 1040996962 /nfs/dbraw/zinc/99/69/62/1040996962.db2.gz SIARSMYGVYCZNO-UHFFFAOYSA-N -1 1 364.854 2.641 20 10 FFCDMM O=C(c1ccc(O)c([O-])c1Cl)N1C[C@H]2CC[C@@H](C1)N2Cc1ccc[nH]1 ZINC001279522335 1043221438 /nfs/dbraw/zinc/22/14/38/1043221438.db2.gz YJUNGBMBWJJOLU-BETUJISGSA-N -1 1 361.829 2.568 20 10 FFCDMM Cc1noc(C[C@@H]2C[C@H]3C[N@@H+](Cc4cc(F)cc(Cl)c4[O-])C[C@H]3O2)n1 ZINC001237798912 1043365602 /nfs/dbraw/zinc/36/56/02/1043365602.db2.gz CZFWXRBIHKQOKU-VZJVUDMVSA-N -1 1 367.808 2.708 20 10 FFCDMM Cn1c(=O)oc2cc(NC(=O)NCc3cccc(Cl)c3[O-])c(F)cc21 ZINC001310857920 1043755981 /nfs/dbraw/zinc/75/59/81/1043755981.db2.gz GDZCBPXGAKRUGC-UHFFFAOYSA-N -1 1 365.748 2.951 20 10 FFCDMM COc1ccc(CCNC(=O)c2c([O-])c(O)ccc2F)c(Cl)c1OC ZINC001306849602 1052200087 /nfs/dbraw/zinc/20/00/87/1052200087.db2.gz XNNDTQAUGLEOOI-UHFFFAOYSA-N -1 1 369.776 2.880 20 10 FFCDMM Cc1cc(C(=O)N2CCC[C@H](c3nn[n-]n3)C2)c(C)n1-c1ccc(F)cc1 ZINC000752908347 1052314983 /nfs/dbraw/zinc/31/49/83/1052314983.db2.gz ADTNCWDYGPDKJC-AWEZNQCLSA-N -1 1 368.416 2.766 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])C(=O)N1CCCC[C@@H]1C ZINC001336734122 1054176722 /nfs/dbraw/zinc/17/67/22/1054176722.db2.gz HTNDTECLZJCJEO-NWDGAFQWSA-N -1 1 353.850 2.634 20 10 FFCDMM Cn1nc2ccccc2c1C(=O)NCc1cccc(Br)c1[O-] ZINC001339114217 1056105323 /nfs/dbraw/zinc/10/53/23/1056105323.db2.gz ARBGAQURYXMPIQ-UHFFFAOYSA-N -1 1 360.211 2.971 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1noc(Cc2ccccc2)n1 ZINC001457681686 1060424665 /nfs/dbraw/zinc/42/46/65/1060424665.db2.gz FJFIPFPKLHXLTN-JTQLQIEISA-N -1 1 357.341 2.702 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CCc2nccc(Br)c2C1 ZINC001457874956 1060459849 /nfs/dbraw/zinc/45/98/49/1060459849.db2.gz LQQOZFQMPGKQDX-UHFFFAOYSA-N -1 1 367.174 2.593 20 10 FFCDMM Cc1[nH]c(=O)[n-]c(=S)c1C(=O)NCc1ccc(N2CCCCC2)cc1 ZINC001521458110 1060600129 /nfs/dbraw/zinc/60/01/29/1060600129.db2.gz FDTYERJMVAZTBA-UHFFFAOYSA-N -1 1 358.467 2.700 20 10 FFCDMM COCCO[C@@H]1CCCN(Cc2cc(Br)cc(F)c2[O-])C1 ZINC001462142722 1061516292 /nfs/dbraw/zinc/51/62/92/1061516292.db2.gz DHTKQZTWICYXPI-CYBMUJFWSA-N -1 1 362.239 2.921 20 10 FFCDMM O=C(NCc1cn(-c2ccccc2)nn1)NCc1cccc(Cl)c1[O-] ZINC001478147439 1061921293 /nfs/dbraw/zinc/92/12/93/1061921293.db2.gz PCSILYBDDUORLM-UHFFFAOYSA-N -1 1 357.801 2.626 20 10 FFCDMM COC(=O)c1nc[nH]c1NC(=O)Cc1cc(C)n(-c2ccccc2)c1C ZINC001436230910 1062672626 /nfs/dbraw/zinc/67/26/26/1062672626.db2.gz QIPJUHDKMXIFJS-UHFFFAOYSA-N -1 1 352.394 2.785 20 10 FFCDMM CC(=O)c1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC001467763601 1063844462 /nfs/dbraw/zinc/84/44/62/1063844462.db2.gz JQELHWWPXJSKJZ-UHFFFAOYSA-N -1 1 355.213 2.744 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC001564467742 1076635449 /nfs/dbraw/zinc/63/54/49/1076635449.db2.gz XCRUNGZAQTYDLA-CYBMUJFWSA-N -1 1 365.861 2.778 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN([C@@H](C)CS(C)(=O)=O)C2CC2)c1[O-] ZINC000177170672 509916039 /nfs/dbraw/zinc/91/60/39/509916039.db2.gz LYKVYBASNPTOEH-JTQLQIEISA-N -1 1 359.875 2.646 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(Cc3cc(C)no3)CC2)c1[O-] ZINC000177239719 509955193 /nfs/dbraw/zinc/95/51/93/509955193.db2.gz KDIHRYJDCWHDMD-UHFFFAOYSA-N -1 1 363.845 2.862 20 10 FFCDMM O=C(NCc1cccc(NC(=O)C2CCC2)c1)c1c(F)ccc(O)c1[O-] ZINC000276563516 510942620 /nfs/dbraw/zinc/94/26/20/510942620.db2.gz JLJCHKFAHHOEGS-UHFFFAOYSA-N -1 1 358.369 2.906 20 10 FFCDMM CC(C)(C)OC(=O)NCC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000276637390 510943915 /nfs/dbraw/zinc/94/39/15/510943915.db2.gz UIQNSEPUNCERGG-UHFFFAOYSA-N -1 1 368.405 2.614 20 10 FFCDMM Cc1nn(C)c(C)c1CCC(=O)NCc1cccc(Br)c1[O-] ZINC000277411236 510961673 /nfs/dbraw/zinc/96/16/73/510961673.db2.gz CFUGRALDWRORCT-UHFFFAOYSA-N -1 1 366.259 2.754 20 10 FFCDMM COc1cc2c(cc1OC)C[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1[O-])CC2 ZINC000278178521 510983540 /nfs/dbraw/zinc/98/35/40/510983540.db2.gz GONKNPKSOHAXMS-UHFFFAOYSA-N -1 1 374.393 2.885 20 10 FFCDMM COc1c([O-])c(CN2CCO[C@@H](c3ccsc3)C2)ccc1[N+](=O)[O-] ZINC000278238707 510986753 /nfs/dbraw/zinc/98/67/53/510986753.db2.gz NQFTXOVEIANMMM-CQSZACIVSA-N -1 1 350.396 2.944 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@@H](CCNC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000294824426 511190356 /nfs/dbraw/zinc/19/03/56/511190356.db2.gz HBLUYKSXRRYSIM-LLVKDONJSA-N -1 1 368.405 2.614 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CC(=O)N(CCC(F)(F)F)C2)c1[O-] ZINC000295077644 511274284 /nfs/dbraw/zinc/27/42/84/511274284.db2.gz DQBBIFPKOUMJFD-UHFFFAOYSA-N -1 1 364.751 2.802 20 10 FFCDMM C[C@@H]1C[C@H](NC(=O)c2c(F)ccc(O)c2[O-])CCN1C(=O)OC(C)(C)C ZINC000295314522 511359485 /nfs/dbraw/zinc/35/94/85/511359485.db2.gz WAGYUNRXPJSHPG-GHMZBOCLSA-N -1 1 368.405 2.755 20 10 FFCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000063849096 728138925 /nfs/dbraw/zinc/13/89/25/728138925.db2.gz PTKAAPUDVCABPU-UHFFFAOYSA-N -1 1 372.443 2.778 20 10 FFCDMM Cc1cc(C(=O)Nc2n[n-]c(C(F)(F)F)n2)c(C)n1-c1ccccn1 ZINC000071949407 728209913 /nfs/dbraw/zinc/20/99/13/728209913.db2.gz DBYLFZPIFZAXPM-UHFFFAOYSA-N -1 1 350.304 2.878 20 10 FFCDMM O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(O)cc2)cc1Br ZINC000194134730 729500639 /nfs/dbraw/zinc/50/06/39/729500639.db2.gz AGQQCVYRMNNELS-UHFFFAOYSA-N -1 1 373.184 2.864 20 10 FFCDMM O=S1(=O)Cc2ccccc2[C@H](NCc2cc(Cl)cc(F)c2[O-])C1 ZINC000857058572 730376744 /nfs/dbraw/zinc/37/67/44/730376744.db2.gz QLGSJTSPKGLAMF-OAHLLOKOSA-N -1 1 355.818 2.944 20 10 FFCDMM CC(C)(C)OC(=O)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])C1CCC1 ZINC000857341866 730392629 /nfs/dbraw/zinc/39/26/29/730392629.db2.gz JJDFVYRCUHODSB-LLVKDONJSA-N -1 1 353.390 2.725 20 10 FFCDMM C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000857864248 730413144 /nfs/dbraw/zinc/41/31/44/730413144.db2.gz GJADKZJGVIURBU-SKDRFNHKSA-N -1 1 364.243 2.860 20 10 FFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000874048060 732001192 /nfs/dbraw/zinc/00/11/92/732001192.db2.gz IBQWREKBWHMJQJ-GHMZBOCLSA-N -1 1 367.808 2.609 20 10 FFCDMM O=C1N[C@H](c2c([O-])cccc2Br)N2Cc3ccccc3C[C@@H]12 ZINC000877865672 732445891 /nfs/dbraw/zinc/44/58/91/732445891.db2.gz HCOLWWNEKRZKTI-BBRMVZONSA-N -1 1 359.223 2.710 20 10 FFCDMM O=S1(=O)CCCN1c1cccc(NCc2cc(F)cc(F)c2[O-])c1 ZINC000882908432 733309963 /nfs/dbraw/zinc/30/99/63/733309963.db2.gz QXFGTXJOCJJQGK-UHFFFAOYSA-N -1 1 354.378 2.822 20 10 FFCDMM CCOC(=O)c1cc(CNCc2cc(Br)cc(F)c2[O-])on1 ZINC000883197808 733349636 /nfs/dbraw/zinc/34/96/36/733349636.db2.gz TWEXACGKKGTWGI-UHFFFAOYSA-N -1 1 373.178 2.748 20 10 FFCDMM COc1cc(CC(=O)NCc2cccc(Cl)c2[O-])cc(OC)c1OC ZINC000890758257 734336707 /nfs/dbraw/zinc/33/67/07/734336707.db2.gz MFYAVLNFYAEEQC-UHFFFAOYSA-N -1 1 365.813 2.930 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@@H]1C[C@@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763148 734337101 /nfs/dbraw/zinc/33/71/01/734337101.db2.gz PEIVDGJDGLPENQ-RYUDHWBXSA-N -1 1 354.834 2.823 20 10 FFCDMM COCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1cccc(Cl)c1[O-] ZINC000890763572 734337231 /nfs/dbraw/zinc/33/72/31/734337231.db2.gz YJUVDYPUODKELB-ZDUSSCGKSA-N -1 1 372.849 2.592 20 10 FFCDMM Cc1nn(C(C)C)c(C)c1S(=O)(=O)NCc1cccc(Cl)c1[O-] ZINC000908329387 736758720 /nfs/dbraw/zinc/75/87/20/736758720.db2.gz QPOQAKGEXICCKP-UHFFFAOYSA-N -1 1 357.863 2.918 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])Nn1cnc2ccccc21 ZINC000764756884 737046476 /nfs/dbraw/zinc/04/64/76/737046476.db2.gz IVJAOUDQPCHPCA-UHFFFAOYSA-N -1 1 361.199 2.958 20 10 FFCDMM Cc1csc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764758825 737046513 /nfs/dbraw/zinc/04/65/13/737046513.db2.gz VLVPOWFGDAWNFW-UHFFFAOYSA-N -1 1 356.245 2.919 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cnn(-c2ccccc2)n1 ZINC000765728574 737149677 /nfs/dbraw/zinc/14/96/77/737149677.db2.gz WEKLHCSFMOSXEV-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM O=C(Cc1cn2ccccc2n1)NCc1cccc(Br)c1[O-] ZINC000765751281 737153728 /nfs/dbraw/zinc/15/37/28/737153728.db2.gz DJTOEEFVUQKVEQ-UHFFFAOYSA-N -1 1 360.211 2.661 20 10 FFCDMM O=C([O-])CC[C@@H]1CC[C@H](C(=O)NCc2cc(Cl)cc(Cl)c2O)O1 ZINC000911742885 737229154 /nfs/dbraw/zinc/22/91/54/737229154.db2.gz AICHRQNDEMFKKM-CMPLNLGQSA-N -1 1 362.209 2.728 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2cncc3ccccc32)c1 ZINC000770127663 737599102 /nfs/dbraw/zinc/59/91/02/737599102.db2.gz BPGUQNYGTNNOQV-UHFFFAOYSA-N -1 1 357.391 2.564 20 10 FFCDMM O=C(COC(=O)c1ccc(Br)cc1)c1ccc([O-])c(O)c1 ZINC000916589420 737713471 /nfs/dbraw/zinc/71/34/71/737713471.db2.gz IQFDGZXHQNHTKA-UHFFFAOYSA-N -1 1 351.152 2.900 20 10 FFCDMM Cc1ccc2cccc(S(=O)(=O)Nc3ccc(O)cc3C(=O)[O-])c2n1 ZINC000776435077 738194093 /nfs/dbraw/zinc/19/40/93/738194093.db2.gz XSSMIVSVNPECRC-UHFFFAOYSA-N -1 1 358.375 2.748 20 10 FFCDMM O=[N+]([O-])c1cc(Br)cc(S(=O)(=O)[N-]c2ccc(O)cc2)c1 ZINC000776744784 738228300 /nfs/dbraw/zinc/22/83/00/738228300.db2.gz AFUSXFDDJQWBNX-UHFFFAOYSA-N -1 1 373.184 2.864 20 10 FFCDMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)cc2SC)ccc1F ZINC000792701967 739695444 /nfs/dbraw/zinc/69/54/44/739695444.db2.gz JTJUPIMEPKCTJE-UHFFFAOYSA-N -1 1 371.411 2.841 20 10 FFCDMM CC1(C)CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])C[C@@]2(CCOC2)O1 ZINC000793360842 739773425 /nfs/dbraw/zinc/77/34/25/739773425.db2.gz AMIMLJMOQKLSGL-MRXNPFEDSA-N -1 1 356.806 2.724 20 10 FFCDMM CCOc1cc(O)ccc1[N-]S(=O)(=O)CC1(C(=O)OC)CCCCC1 ZINC000793431229 739780626 /nfs/dbraw/zinc/78/06/26/739780626.db2.gz XIVNSSRNWAXSBH-UHFFFAOYSA-N -1 1 371.455 2.656 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@]12C[C@H]1COC21CCC1 ZINC000935663676 739991087 /nfs/dbraw/zinc/99/10/87/739991087.db2.gz YLYXNOLQTYAKIN-ZBEGNZNMSA-N -1 1 352.228 2.730 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N2CCc3cc(Cl)ccc32)c1 ZINC000804347104 740862458 /nfs/dbraw/zinc/86/24/58/740862458.db2.gz FZWFAEXHMIGAHB-UHFFFAOYSA-N -1 1 366.826 2.620 20 10 FFCDMM CCS[C@H](C)c1noc(CN(C)C(=O)c2c(F)ccc(O)c2[O-])n1 ZINC000827041032 743493558 /nfs/dbraw/zinc/49/35/58/743493558.db2.gz CKLINJNCKVVNMZ-MRVPVSSYSA-N -1 1 355.391 2.706 20 10 FFCDMM CC[C@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000846117428 748410317 /nfs/dbraw/zinc/41/03/17/748410317.db2.gz DDBAOJYNZIOOIU-GFCCVEGCSA-N -1 1 354.403 2.861 20 10 FFCDMM NC(=O)COc1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000048796307 845179518 /nfs/dbraw/zinc/17/95/18/845179518.db2.gz IAWNIMSYEUXNQP-UHFFFAOYSA-N -1 1 351.200 2.631 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CCN(C(=O)c2cccnc2)CC1 ZINC000890758012 960314055 /nfs/dbraw/zinc/31/40/55/960314055.db2.gz PQPWWGXZDNAJIQ-UHFFFAOYSA-N -1 1 373.840 2.609 20 10 FFCDMM COc1c([O-])c(CN2CCn3cnc(C(F)(F)F)c3C2)ccc1[N+](=O)[O-] ZINC000895559198 970741879 /nfs/dbraw/zinc/74/18/79/970741879.db2.gz HLIIPVGLBGEEMU-UHFFFAOYSA-N -1 1 372.303 2.540 20 10 FFCDMM C[C@@H]1CN(C(=O)c2c(F)ccc(O)c2[O-])C[C@H](C)N1C(=O)OC(C)(C)C ZINC000825822304 1014086586 /nfs/dbraw/zinc/08/65/86/1014086586.db2.gz ICFYLOVALWEVTB-PHIMTYICSA-N -1 1 368.405 2.707 20 10 FFCDMM COc1ccc(N2CCN(C(=O)c3c(F)ccc([O-])c3F)CC2)cc1F ZINC000809712467 994591141 /nfs/dbraw/zinc/59/11/41/994591141.db2.gz ODTSHKAHRNGIAW-UHFFFAOYSA-N -1 1 366.339 2.781 20 10 FFCDMM Cc1ccc(CCCNC=C2C(=O)[N-]C(=S)N(CC(C)C)C2=O)c(C)c1 ZINC000730983913 997601641 /nfs/dbraw/zinc/60/16/41/997601641.db2.gz YIQNNJMJYQLAAD-BOPFTXTBSA-N -1 1 373.522 2.609 20 10 FFCDMM CN(C)c1ccc(CN(C(=O)c2cnc(C3CC3)[n-]c2=O)C2CC2)cc1 ZINC000900125795 999102869 /nfs/dbraw/zinc/10/28/69/999102869.db2.gz YSSSUIKIQGTMOO-UHFFFAOYSA-N -1 1 352.438 2.930 20 10 FFCDMM CN(C)[C@@H]1CCC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738145134 999622745 /nfs/dbraw/zinc/62/27/45/999622745.db2.gz OJVJXFVYEHOMFF-MRXNPFEDSA-N -1 1 354.450 2.855 20 10 FFCDMM CN(C)[C@@H]1CCC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738145134 999622746 /nfs/dbraw/zinc/62/27/46/999622746.db2.gz OJVJXFVYEHOMFF-MRXNPFEDSA-N -1 1 354.450 2.855 20 10 FFCDMM CCc1cccc(CC)c1NC(=S)NNc1nc(=O)c2cnn(C)c2[n-]1 ZINC000769790978 1000603920 /nfs/dbraw/zinc/60/39/20/1000603920.db2.gz GHVLYOOWUVPFRG-UHFFFAOYSA-N -1 1 371.470 2.507 20 10 FFCDMM O=C(CNc1ncnc2ccc(C(F)(F)F)nc21)c1ccc([O-])c(O)c1 ZINC001170316884 1003105940 /nfs/dbraw/zinc/10/59/40/1003105940.db2.gz UDXFEXXDAJOOJQ-UHFFFAOYSA-N -1 1 364.283 2.750 20 10 FFCDMM CCOC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)cc2c1OCC2 ZINC001170322128 1003110592 /nfs/dbraw/zinc/11/05/92/1003110592.db2.gz FLWXKFJQPZIDLS-UHFFFAOYSA-N -1 1 357.362 2.504 20 10 FFCDMM CCOC(=O)C1(c2ccc(NCC(=O)c3ccc([O-])c(O)c3)cc2)CC1 ZINC001170322991 1003112255 /nfs/dbraw/zinc/11/22/55/1003112255.db2.gz RMHOWCLSSQGLQG-UHFFFAOYSA-N -1 1 355.390 2.987 20 10 FFCDMM COC(=O)/C=C/c1cccc(S(=O)(=O)[N-]c2ccc(O)c(F)c2)c1 ZINC001197107309 1004086905 /nfs/dbraw/zinc/08/69/05/1004086905.db2.gz SMTTVMQRQSGPSQ-VMPITWQZSA-N -1 1 351.355 2.518 20 10 FFCDMM COC(=O)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193237159 1004413743 /nfs/dbraw/zinc/41/37/43/1004413743.db2.gz YZOSXVZJVHMRBJ-LBPRGKRZSA-N -1 1 355.818 2.993 20 10 FFCDMM COC(=O)[C@](C)(Cc1ccccc1)NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193247547 1004417581 /nfs/dbraw/zinc/41/75/81/1004417581.db2.gz ZIPJVXSEPLGWKU-SFHVURJKSA-N -1 1 363.797 2.655 20 10 FFCDMM CCOc1cccc(OCC)c1C(=O)NCC(=O)c1ccc([O-])c(O)c1 ZINC001188889817 1006787441 /nfs/dbraw/zinc/78/74/41/1006787441.db2.gz QBHPYRUWLFIJOT-UHFFFAOYSA-N -1 1 359.378 2.508 20 10 FFCDMM O=C(N[C@H]1CC12CCC2)c1cc([O-])c2c(c1)C(=O)c1cccc(O)c1C2=O ZINC001152611383 1032202165 /nfs/dbraw/zinc/20/21/65/1032202165.db2.gz XZLLPJKRLSMCLX-HNNXBMFYSA-N -1 1 363.369 2.546 20 10 FFCDMM O=C(C=Cc1cc(F)c(F)cc1F)NCC(=O)c1ccc([O-])c(O)c1 ZINC001179885249 1009489016 /nfs/dbraw/zinc/48/90/16/1009489016.db2.gz BARHVFBDPHBTHK-DUXPYHPUSA-N -1 1 351.280 2.527 20 10 FFCDMM Cc1cccc([C@H](CC(=O)NCc2cccc(Cl)c2[O-])NC(N)=O)c1 ZINC001180409555 1009684599 /nfs/dbraw/zinc/68/45/99/1009684599.db2.gz BOUDMVBFAWRVKX-HNNXBMFYSA-N -1 1 361.829 2.770 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccccc2C(F)F)c1 ZINC001299753333 1012258863 /nfs/dbraw/zinc/25/88/63/1012258863.db2.gz NIZLXWOMOVGMRO-UHFFFAOYSA-N -1 1 356.350 2.954 20 10 FFCDMM C[C@H](NC(=O)c1c(F)ccc(O)c1[O-])c1ccc(N2CCCC2=O)cc1 ZINC000825568705 1012645039 /nfs/dbraw/zinc/64/50/39/1012645039.db2.gz XDQZRZZQHWOHSE-NSHDSACASA-N -1 1 358.369 2.855 20 10 FFCDMM O=C(NC1CCN(c2ccc(OC(F)F)cc2)CC1)c1ncccc1[O-] ZINC000726624860 1020498145 /nfs/dbraw/zinc/49/81/45/1020498145.db2.gz AQNBRNAHKVCCFP-UHFFFAOYSA-N -1 1 363.364 2.787 20 10 FFCDMM Cc1nc(C)c(-c2ccc(NCC(=O)c3ccc([O-])c(O)c3)nn2)s1 ZINC001159280415 1027334884 /nfs/dbraw/zinc/33/48/84/1027334884.db2.gz PQKIDUWYBZGHPD-UHFFFAOYSA-N -1 1 356.407 2.923 20 10 FFCDMM CC1(c2ccc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)cc2)COC1 ZINC001155232705 1028638561 /nfs/dbraw/zinc/63/85/61/1028638561.db2.gz VWUHEYIZEGJSLC-UHFFFAOYSA-N -1 1 367.357 2.744 20 10 FFCDMM COC1CCC(CCNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)CC1 ZINC001155233591 1028639655 /nfs/dbraw/zinc/63/96/55/1028639655.db2.gz CZLXRWPPQJJNAU-UHFFFAOYSA-N -1 1 361.394 2.529 20 10 FFCDMM Cc1cccc(C(C)(C)CNC(=O)c2cc3cc(O)c([O-])cc3oc2=O)n1 ZINC001155234595 1028640179 /nfs/dbraw/zinc/64/01/79/1028640179.db2.gz PFLBABYNRFTLMD-UHFFFAOYSA-N -1 1 368.389 2.615 20 10 FFCDMM O=C(COC(=O)c1cccc(Nc2ncccn2)c1)c1ccc([O-])c(O)c1 ZINC000782676815 1029783589 /nfs/dbraw/zinc/78/35/89/1029783589.db2.gz NVVAFXWCJVGGOK-UHFFFAOYSA-N -1 1 365.345 2.671 20 10 FFCDMM Cn1cc(CCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c2ccccc21 ZINC000784098301 1030467656 /nfs/dbraw/zinc/46/76/56/1030467656.db2.gz JPZGNEIBUSEFDG-UHFFFAOYSA-N -1 1 353.374 2.948 20 10 FFCDMM [O-]c1cc(F)c(F)cc1C[N@H+]1CC[C@]2(C[C@H](Oc3cccnc3)CO2)C1 ZINC001142513116 1030562224 /nfs/dbraw/zinc/56/22/24/1030562224.db2.gz YCVHYQCYSLFKME-KXBFYZLASA-N -1 1 362.376 2.878 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1Cc2nccn2C[C@@H](COCC2CC2)C1 ZINC001142517723 1030565462 /nfs/dbraw/zinc/56/54/62/1030565462.db2.gz XRDQRQJNDQYOQM-AWEZNQCLSA-N -1 1 363.408 2.926 20 10 FFCDMM O=C1CC[C@@H]2[C@@H](CC[N@@H+]2Cc2cc(F)c(F)cc2O)N1Cc1cccnc1 ZINC001142517254 1030565691 /nfs/dbraw/zinc/56/56/91/1030565691.db2.gz GTBMTIUQFRZLCO-QZTJIDSGSA-N -1 1 373.403 2.831 20 10 FFCDMM O=C(COC(=O)c1ccn(-c2ccc(F)cc2F)n1)c1ccc([O-])c(O)c1 ZINC000784742350 1030786011 /nfs/dbraw/zinc/78/60/11/1030786011.db2.gz QCSAEXAVMNLVRX-UHFFFAOYSA-N -1 1 374.299 2.601 20 10 FFCDMM COc1ccc(OC)c([C@H]2C[C@H]2C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000784894627 1030870962 /nfs/dbraw/zinc/87/09/62/1030870962.db2.gz IAGSZJYVFTZPEV-UKRRQHHQSA-N -1 1 372.373 2.645 20 10 FFCDMM [O-]c1cc(Cl)ccc1CN1CCn2c(COc3ccccn3)nnc2C1 ZINC001140464905 1035485536 /nfs/dbraw/zinc/48/55/36/1035485536.db2.gz DNDAXNMTQWTCFX-UHFFFAOYSA-N -1 1 371.828 2.627 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1CN(Cc2cc(Cl)c([O-])cc2O)C[C@@H]1F ZINC001232259868 1035530713 /nfs/dbraw/zinc/53/07/13/1035530713.db2.gz MECPYVOIRACEKX-RYUDHWBXSA-N -1 1 360.813 2.798 20 10 FFCDMM O=C1C[C@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(O[C@@H]3CCOC3)c21 ZINC001228187121 1035981412 /nfs/dbraw/zinc/98/14/12/1035981412.db2.gz ZCPLESKHQPEYOQ-MLGOLLRUSA-N -1 1 358.346 2.678 20 10 FFCDMM [O-]c1c(CN2C[C@H](Oc3ccccn3)[C@H]3OCCC[C@H]32)ccc(F)c1F ZINC001233074481 1036319197 /nfs/dbraw/zinc/31/91/97/1036319197.db2.gz JFXYKTHTSQFNBL-VCBZYWHSSA-N -1 1 362.376 2.876 20 10 FFCDMM COc1cc(C)nc(OC2CCN(Cc3ccc(F)c(F)c3[O-])CC2)n1 ZINC001233079431 1036325259 /nfs/dbraw/zinc/32/52/59/1036325259.db2.gz BYIAPHOEISUSSO-UHFFFAOYSA-N -1 1 365.380 2.821 20 10 FFCDMM COC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])ccc(F)c1F ZINC001233332318 1036537698 /nfs/dbraw/zinc/53/76/98/1036537698.db2.gz GZTAQUSWPYJTCA-LBPRGKRZSA-N -1 1 372.412 2.738 20 10 FFCDMM CC(C)C(=O)N1CCC[C@@]2(CN(Cc3c([O-])ccc(F)c3F)CCO2)C1 ZINC001233333658 1036541986 /nfs/dbraw/zinc/54/19/86/1036541986.db2.gz DCSJTFKFCLCMNH-LJQANCHMSA-N -1 1 368.424 2.520 20 10 FFCDMM COC[C@@H]1CN(Cc2cccc(C(F)(F)F)c2[O-])Cc2ncn(C)c21 ZINC001233417120 1036610791 /nfs/dbraw/zinc/61/07/91/1036610791.db2.gz JERSGAUCVIVEFD-LBPRGKRZSA-N -1 1 355.360 2.890 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)CC1(F)F ZINC001234473915 1037053090 /nfs/dbraw/zinc/05/30/90/1037053090.db2.gz MDDPAZAOZDLXMB-CQSZACIVSA-N -1 1 373.352 2.934 20 10 FFCDMM C[N@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231563011 1037687679 /nfs/dbraw/zinc/68/76/79/1037687679.db2.gz LJTXAKMLOYXNCA-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM C[N@@H+](Cc1cc(C(=O)[O-])ccc1[O-])C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001231563011 1037687689 /nfs/dbraw/zinc/68/76/89/1037687689.db2.gz LJTXAKMLOYXNCA-UHFFFAOYSA-N -1 1 364.442 2.922 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@]1(F)CC[N@@H+](Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231566536 1037692526 /nfs/dbraw/zinc/69/25/26/1037692526.db2.gz OMMHAVCGBGNXBR-GOSISDBHSA-N -1 1 368.405 2.529 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@]1(F)CCN(Cc2cc(C(=O)[O-])ccc2O)C1 ZINC001231566536 1037692534 /nfs/dbraw/zinc/69/25/34/1037692534.db2.gz OMMHAVCGBGNXBR-GOSISDBHSA-N -1 1 368.405 2.529 20 10 FFCDMM COc1ccc(CN2CC3CC2(C(=O)N2CCCC2)C3)c([O-])c1Cl ZINC001236803633 1038278910 /nfs/dbraw/zinc/27/89/10/1038278910.db2.gz ITBDVNFGUAUYHK-UHFFFAOYSA-N -1 1 350.846 2.641 20 10 FFCDMM Cn1nc2c(c1NS(=O)(=O)c1cc(Cl)cc(Cl)c1[O-])CCC2 ZINC001251387613 1039105759 /nfs/dbraw/zinc/10/57/59/1039105759.db2.gz BUDRCMAEDYLOMO-UHFFFAOYSA-N -1 1 362.238 2.722 20 10 FFCDMM COc1ccc(CN2CCC(F)(F)C2)c([O-])c1I ZINC001248482037 1040297456 /nfs/dbraw/zinc/29/74/56/1040297456.db2.gz PAVDHRYPWAAIAO-UHFFFAOYSA-N -1 1 369.149 2.846 20 10 FFCDMM Cc1noc(C)c1NC(=O)N1CCC12CN(Cc1c([O-])cccc1F)C2 ZINC001279421566 1043093611 /nfs/dbraw/zinc/09/36/11/1043093611.db2.gz KKXFEHDXBSOEGL-UHFFFAOYSA-N -1 1 360.389 2.628 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2cc(F)c(Cl)cc2[O-])C1 ZINC001237935197 1043442404 /nfs/dbraw/zinc/44/24/04/1043442404.db2.gz RCFUMVXKQYSJNO-RYUDHWBXSA-N -1 1 374.840 2.645 20 10 FFCDMM COC(=O)Nc1ccc(S(=O)(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001309941649 1043600215 /nfs/dbraw/zinc/60/02/15/1043600215.db2.gz WKPGLBJYYLENRU-UHFFFAOYSA-N -1 1 370.814 2.702 20 10 FFCDMM O=C(Cc1coc(-c2ccccc2)n1)OCC(=O)c1ccc([O-])c(O)c1 ZINC001322139806 1045965925 /nfs/dbraw/zinc/96/59/25/1045965925.db2.gz GKIYGQHCGNOBCQ-UHFFFAOYSA-N -1 1 353.330 2.721 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1cccn(CC(F)(F)F)c1=O ZINC001305084949 1051800494 /nfs/dbraw/zinc/80/04/94/1051800494.db2.gz PAUMUITYVLUVMO-UHFFFAOYSA-N -1 1 360.719 2.700 20 10 FFCDMM Cc1cc(C(=O)N2CC[C@@H](c3nn[n-]n3)C2)c(C)n1-c1ccccc1C ZINC001347976300 1054520195 /nfs/dbraw/zinc/52/01/95/1054520195.db2.gz XRNNEDRCSQNUGM-OAHLLOKOSA-N -1 1 350.426 2.545 20 10 FFCDMM COc1ccc(OC(C)(C)C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000849872944 1060876722 /nfs/dbraw/zinc/87/67/22/1060876722.db2.gz RPCVWEXLTGYLGJ-UHFFFAOYSA-N -1 1 360.362 2.690 20 10 FFCDMM NC(=O)c1cc2cc(NC(=O)NCc3cccc(Cl)c3[O-])ccc2[nH]1 ZINC001467128563 1063646959 /nfs/dbraw/zinc/64/69/59/1063646959.db2.gz GWGCFNJWLOWZSJ-UHFFFAOYSA-N -1 1 358.785 2.948 20 10 FFCDMM Cc1ccncc1CNC(=O)NCc1cccc(Br)c1[O-] ZINC001470253630 1064287451 /nfs/dbraw/zinc/28/74/51/1064287451.db2.gz PPDLYHLMSOKYGZ-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)c1c([O-])cnc2c(F)cccc21 ZINC001556157718 1075710140 /nfs/dbraw/zinc/71/01/40/1075710140.db2.gz INLCMJSJGQNSAG-JTQLQIEISA-N -1 1 356.353 2.852 20 10 FFCDMM COc1cc(C(=O)NCc2cccc(Cl)c2[O-])c([N+](=O)[O-])cc1OC ZINC001558757187 1076070590 /nfs/dbraw/zinc/07/05/90/1076070590.db2.gz STVSWFHILZTPFG-UHFFFAOYSA-N -1 1 366.757 2.901 20 10 FFCDMM CC(=O)Nc1ccc(C)c(S(=O)(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001562008724 1076464690 /nfs/dbraw/zinc/46/46/90/1076464690.db2.gz QIHQVKAVWNYOET-UHFFFAOYSA-N -1 1 368.842 2.791 20 10 FFCDMM Cc1n[nH]c(C)c1[C@H](C)C(=O)NCc1cccc(Br)c1[O-] ZINC000277660798 510968443 /nfs/dbraw/zinc/96/84/43/510968443.db2.gz ZXXYLRLKRSGPCG-QMMMGPOBSA-N -1 1 352.232 2.915 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)C3CC3)CC2)c1[O-] ZINC000121349549 509168746 /nfs/dbraw/zinc/16/87/46/509168746.db2.gz NNOPCIUGCFBVCF-UHFFFAOYSA-N -1 1 350.846 2.693 20 10 FFCDMM CN1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H]1c1ccc(F)c(F)c1 ZINC000276656405 510944553 /nfs/dbraw/zinc/94/45/53/510944553.db2.gz XKUDTZCSVNNRRF-CZUORRHYSA-N -1 1 366.339 2.690 20 10 FFCDMM CC(C)(CCCO)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277573031 510966142 /nfs/dbraw/zinc/96/61/42/510966142.db2.gz CBEBRQYRKZRJHA-UHFFFAOYSA-N -1 1 359.264 2.753 20 10 FFCDMM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(O)c(COC(C)C)c1 ZINC000290571349 511145378 /nfs/dbraw/zinc/14/53/78/511145378.db2.gz UHZYDOUDUJDIDH-UHFFFAOYSA-N -1 1 369.395 2.718 20 10 FFCDMM C[N@H+]1CCCN(c2ccc(NC(=O)c3c(F)ccc(O)c3O)cc2)CC1 ZINC000294834160 511193028 /nfs/dbraw/zinc/19/30/28/511193028.db2.gz LWKAMVXQWUPWHY-UHFFFAOYSA-N -1 1 359.401 2.631 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@H](CS(C)(=O)=O)C2)c1[O-] ZINC000293361370 511937682 /nfs/dbraw/zinc/93/76/82/511937682.db2.gz OJEMOFNAXYDAIY-LBPRGKRZSA-N -1 1 359.875 2.505 20 10 FFCDMM COc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CCS(C)(=O)=O)c1O ZINC000367830415 512679847 /nfs/dbraw/zinc/67/98/47/512679847.db2.gz BWHLYIFQAHPEBH-CQSZACIVSA-N -1 1 361.891 2.843 20 10 FFCDMM O=C([O-])C[N@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1c(F)cccc1F ZINC000739794145 600315359 /nfs/dbraw/zinc/31/53/59/600315359.db2.gz URTXYMWYNAFSEQ-OAHLLOKOSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1cc(Cl)ccc1[O-])C[C@@H](O)c1c(F)cccc1F ZINC000739794145 600315362 /nfs/dbraw/zinc/31/53/62/600315362.db2.gz URTXYMWYNAFSEQ-OAHLLOKOSA-N -1 1 371.767 2.944 20 10 FFCDMM O=C([O-])C[N@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000739796498 600315654 /nfs/dbraw/zinc/31/56/54/600315654.db2.gz IQPMHJKKIIPASZ-UHFFFAOYSA-N -1 1 363.797 2.904 20 10 FFCDMM O=C([O-])C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cc(Cl)ccc1[O-] ZINC000739796498 600315657 /nfs/dbraw/zinc/31/56/57/600315657.db2.gz IQPMHJKKIIPASZ-UHFFFAOYSA-N -1 1 363.797 2.904 20 10 FFCDMM Cn1cc([C@@H]2CN(Cc3c(O)c(C(=O)[O-])cc4ccccc43)CCO2)cn1 ZINC000833043663 601342993 /nfs/dbraw/zinc/34/29/93/601342993.db2.gz DUZQKABBLCJICV-SFHVURJKSA-N -1 1 367.405 2.551 20 10 FFCDMM CC(=O)c1cc(Cl)cc(C[N@H+](CCC(=O)[O-])C[C@H]2CCCO2)c1[O-] ZINC000825946663 601418882 /nfs/dbraw/zinc/41/88/82/601418882.db2.gz JZUGYRAXVIMPCB-CQSZACIVSA-N -1 1 355.818 2.704 20 10 FFCDMM CC(=O)c1cc(Cl)cc(C[N@@H+](CCC(=O)[O-])C[C@H]2CCCO2)c1[O-] ZINC000825946663 601418884 /nfs/dbraw/zinc/41/88/84/601418884.db2.gz JZUGYRAXVIMPCB-CQSZACIVSA-N -1 1 355.818 2.704 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(CCOC(C)C)CC2)c1[O-] ZINC000177362387 729134761 /nfs/dbraw/zinc/13/47/61/729134761.db2.gz PGMLEODSWGZTFQ-UHFFFAOYSA-N -1 1 354.878 2.791 20 10 FFCDMM O=C(NC[C@H](OC1CCCC1)C(F)(F)F)c1c(F)ccc(O)c1[O-] ZINC000857306424 730390408 /nfs/dbraw/zinc/39/04/08/730390408.db2.gz FGVXTLWUQYFFJK-NSHDSACASA-N -1 1 351.296 2.857 20 10 FFCDMM COC1(C[C@H]([NH2+]Cc2c([O-])cccc2Br)C(=O)[O-])CCC1 ZINC000864517493 730855932 /nfs/dbraw/zinc/85/59/32/730855932.db2.gz WOGYUBKQWOPIDK-LBPRGKRZSA-N -1 1 358.232 2.657 20 10 FFCDMM [O-]c1c(Br)cccc1CNc1c2c(nc3ncnn31)CCC2 ZINC000865730233 730991268 /nfs/dbraw/zinc/99/12/68/730991268.db2.gz PIOYBGOWXVNODD-UHFFFAOYSA-N -1 1 360.215 2.693 20 10 FFCDMM [O-]c1c(Cl)cc(Cl)cc1CNCc1cn(C[C@@H]2CCCO2)nn1 ZINC000877530782 732381377 /nfs/dbraw/zinc/38/13/77/732381377.db2.gz XMQKXUGULAYWHD-ZDUSSCGKSA-N -1 1 357.241 2.759 20 10 FFCDMM C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000879774202 732765861 /nfs/dbraw/zinc/76/58/61/732765861.db2.gz FKIJHHBIKAMKEC-XPTSAGLGSA-N -1 1 364.243 2.860 20 10 FFCDMM CC[C@H](NCc1nnc2c(=O)[nH]ccn12)c1ccc(Cl)c(Cl)c1[O-] ZINC000886704262 733820179 /nfs/dbraw/zinc/82/01/79/733820179.db2.gz AATQAAGTYHOQHT-JTQLQIEISA-N -1 1 368.224 2.671 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H](C[C@H]1COCCO1)C(F)(F)F ZINC000890761068 734337072 /nfs/dbraw/zinc/33/70/72/734337072.db2.gz JVFPEJJIEUHWET-QWRGUYRKSA-N -1 1 367.751 2.646 20 10 FFCDMM O=C(COC(=O)c1cccc(Br)c1O)c1ccc([O-])c(O)c1 ZINC000783530077 738812214 /nfs/dbraw/zinc/81/22/14/738812214.db2.gz KYDYYLFQGNPLBI-UHFFFAOYSA-N -1 1 367.151 2.606 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Cl)c1[O-])c1nnc2n1CCCCC2 ZINC000892809918 734607236 /nfs/dbraw/zinc/60/72/36/734607236.db2.gz QSAQUUUQKQLPLP-LLVKDONJSA-N -1 1 363.849 2.924 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCOC2(CCOCC2)C1 ZINC000893754964 734746992 /nfs/dbraw/zinc/74/69/92/734746992.db2.gz IYLOHMBZEKBSAX-CYBMUJFWSA-N -1 1 354.834 2.573 20 10 FFCDMM Cn1cc(C[C@@H]2CCC[C@H]2NC(=O)NCc2cccc(Cl)c2[O-])cn1 ZINC000895808845 735057940 /nfs/dbraw/zinc/05/79/40/735057940.db2.gz UFYNSRONKXOQJM-XJKSGUPXSA-N -1 1 362.861 2.990 20 10 FFCDMM COC(=O)[C@H](C[C@@H]1CCCO1)NCc1cc(C)cc(Br)c1[O-] ZINC000895861629 735065756 /nfs/dbraw/zinc/06/57/56/735065756.db2.gz FRUHHHUZKSBPSE-JSGCOSHPSA-N -1 1 372.259 2.663 20 10 FFCDMM COc1c([O-])c(CN2CCS[C@H](C(F)(F)F)C2)ccc1[N+](=O)[O-] ZINC000896455400 735164678 /nfs/dbraw/zinc/16/46/78/735164678.db2.gz GKCWVTTUMIIOKP-JTQLQIEISA-N -1 1 352.334 2.789 20 10 FFCDMM O=C(COC(=O)c1ccc([N+](=O)[O-])c(Cl)c1)c1ccc([O-])c(O)c1 ZINC000784434193 738891048 /nfs/dbraw/zinc/89/10/48/738891048.db2.gz BOGHPYIOEYFSHT-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCN(c3nc(C)ns3)CC2)c1[O-] ZINC000750055337 735768527 /nfs/dbraw/zinc/76/85/27/735768527.db2.gz VPTAMXKHBQXAOI-UHFFFAOYSA-N -1 1 366.874 2.730 20 10 FFCDMM CCOC(=O)[C@H](NCc1cc(Cl)cc(C(C)=O)c1[O-])C1CCOCC1 ZINC000755192776 736241239 /nfs/dbraw/zinc/24/12/39/736241239.db2.gz POVPOYJPIDGLID-MRXNPFEDSA-N -1 1 369.845 2.696 20 10 FFCDMM O=C([O-])c1cc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)ccc1O ZINC000757658032 736416750 /nfs/dbraw/zinc/41/67/50/736416750.db2.gz VENRDOGUBRUFPJ-UHFFFAOYSA-N -1 1 363.178 2.593 20 10 FFCDMM C[C@@H](C[C@@H]1CCOC1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764797702 737050654 /nfs/dbraw/zinc/05/06/54/737050654.db2.gz MDKHFJAMXHLGQT-QWRGUYRKSA-N -1 1 357.248 2.769 20 10 FFCDMM CCOC(=O)C[C@H](C)CNC(=O)NCc1cccc(Br)c1[O-] ZINC000764799907 737051142 /nfs/dbraw/zinc/05/11/42/737051142.db2.gz NFUYXNNEZUQKBK-JTQLQIEISA-N -1 1 373.247 2.543 20 10 FFCDMM COc1ccc(NC(=O)NCc2cccc(Br)c2[O-])nc1 ZINC000765347864 737111010 /nfs/dbraw/zinc/11/10/10/737111010.db2.gz ZMZRSYSWINKNJR-UHFFFAOYSA-N -1 1 352.188 2.880 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])[C@H]1Cc2cc(F)ccc2O1 ZINC000765770930 737156866 /nfs/dbraw/zinc/15/68/66/737156866.db2.gz SPTPEFXTAJAIOO-CQSZACIVSA-N -1 1 366.186 2.914 20 10 FFCDMM CCNc1ncc(C(=O)NCc2cccc(Br)c2[O-])s1 ZINC000765943846 737175183 /nfs/dbraw/zinc/17/51/83/737175183.db2.gz LOZHCDUBVJVJSI-UHFFFAOYSA-N -1 1 356.245 2.973 20 10 FFCDMM CCCN(CCC)S(=O)(=O)NCc1cccc(Br)c1[O-] ZINC000766200544 737206456 /nfs/dbraw/zinc/20/64/56/737206456.db2.gz LYMPFXYWUCIDFD-UHFFFAOYSA-N -1 1 365.293 2.611 20 10 FFCDMM COc1cc(C)c(NC(=O)c2cc(NS(C)(=O)=O)ccc2[O-])cc1C ZINC000769695339 737554759 /nfs/dbraw/zinc/55/47/59/737554759.db2.gz DOXBNUGXMJCDDY-UHFFFAOYSA-N -1 1 364.423 2.641 20 10 FFCDMM COc1c(F)cc(S(=O)(=O)[N-]c2ccc(O)cc2C)cc1[N+](=O)[O-] ZINC000777629088 738307497 /nfs/dbraw/zinc/30/74/97/738307497.db2.gz BBNLYVUBENYJMW-UHFFFAOYSA-N -1 1 356.331 2.557 20 10 FFCDMM COc1ccc(S(=O)(=O)[N-]c2ccc(O)cc2SC)cc1[N+](=O)[O-] ZINC000792703350 739695940 /nfs/dbraw/zinc/69/59/40/739695940.db2.gz VUWGGZIXBSEMRJ-UHFFFAOYSA-N -1 1 370.408 2.832 20 10 FFCDMM C[C@@H](CO)NC(=O)c1ccc(NCc2cc(Cl)cc(F)c2[O-])cc1 ZINC000798083942 740302619 /nfs/dbraw/zinc/30/26/19/740302619.db2.gz LPLCYRLRKGTGPH-JTQLQIEISA-N -1 1 352.793 2.907 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCS(=O)(=O)C[C@H]2C2CCC2)c1[O-] ZINC000839630548 746875522 /nfs/dbraw/zinc/87/55/22/746875522.db2.gz XVIHSBJJCDOYPV-INIZCTEOSA-N -1 1 371.886 2.647 20 10 FFCDMM COCCN(Cc1cc(Cl)cc(C(C)=O)c1[O-])C[C@H](O)C(F)(F)F ZINC000847030731 748601495 /nfs/dbraw/zinc/60/14/95/748601495.db2.gz UKERISINZXCGLK-ZDUSSCGKSA-N -1 1 369.767 2.620 20 10 FFCDMM COc1ccc(N2CCN(CCOc3ccccc3C(=O)[O-])CC2)cc1F ZINC000183938299 949496983 /nfs/dbraw/zinc/49/69/83/949496983.db2.gz OKGWKWBYKNUJMC-UHFFFAOYSA-N -1 1 374.412 2.734 20 10 FFCDMM Cc1cc(O)c(C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594325281 958161564 /nfs/dbraw/zinc/16/15/64/958161564.db2.gz MLDAAYWLXNCVCL-STQMWFEESA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594325281 958161571 /nfs/dbraw/zinc/16/15/71/958161571.db2.gz MLDAAYWLXNCVCL-STQMWFEESA-N -1 1 363.845 2.778 20 10 FFCDMM Cc1cc([O-])c(C[N@H+]2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC001594325281 958161581 /nfs/dbraw/zinc/16/15/81/958161581.db2.gz MLDAAYWLXNCVCL-STQMWFEESA-N -1 1 363.845 2.778 20 10 FFCDMM Nc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(O)cc1C(F)(F)F ZINC001176341334 1013679478 /nfs/dbraw/zinc/67/94/78/1013679478.db2.gz DJVSXJZUZUHTIJ-UHFFFAOYSA-N -1 1 350.293 2.933 20 10 FFCDMM O=C(N[C@@H]1CCOC1)OC[C@H]1CCCCN1Cc1ccc(F)c(F)c1[O-] ZINC000877519122 1014609547 /nfs/dbraw/zinc/60/95/47/1014609547.db2.gz IDZIUKMQKJLOIS-ZIAGYGMSSA-N -1 1 370.396 2.540 20 10 FFCDMM CC[C@]([NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1[O-])(C(=O)[O-])c1ccccc1 ZINC001595300372 980434072 /nfs/dbraw/zinc/43/40/72/980434072.db2.gz PGFGSUYKMZUPST-GOSISDBHSA-N -1 1 360.366 2.789 20 10 FFCDMM CC(C)(C)OC(=O)CC[C@@H]1COCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534448 982622735 /nfs/dbraw/zinc/62/27/35/982622735.db2.gz JZMKGMKIADEJPG-CYBMUJFWSA-N -1 1 357.397 2.993 20 10 FFCDMM CCc1nc(C2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)n[nH]1 ZINC001597662990 988739931 /nfs/dbraw/zinc/73/99/31/988739931.db2.gz IBECAJDCQJPONB-XQRVVYSFSA-N -1 1 371.397 2.757 20 10 FFCDMM CCc1nnc(C2CCN(c3ccc(C=CC(=O)[O-])cc3[N+](=O)[O-])CC2)[nH]1 ZINC001597662990 988739934 /nfs/dbraw/zinc/73/99/34/988739934.db2.gz IBECAJDCQJPONB-XQRVVYSFSA-N -1 1 371.397 2.757 20 10 FFCDMM COc1ccc(C=CC(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1OC ZINC000916589996 989831559 /nfs/dbraw/zinc/83/15/59/989831559.db2.gz UOIKNJUOVAEDBX-XBXARRHUSA-N -1 1 358.346 2.554 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(-c2nc(-c3ccc4c(c3)CCC4)no2)c1 ZINC000810321136 994754981 /nfs/dbraw/zinc/75/49/81/994754981.db2.gz VRDHZBYOXRQONX-UHFFFAOYSA-N -1 1 371.418 2.969 20 10 FFCDMM NC(=O)CSc1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001196425048 1003775303 /nfs/dbraw/zinc/77/53/03/1003775303.db2.gz ZQJFIJCMZSWCTC-UHFFFAOYSA-N -1 1 365.842 2.945 20 10 FFCDMM O=C(NCc1nc(C(F)(F)F)n2c1CCCC2)c1c(F)ccc(O)c1[O-] ZINC000881437010 1006098326 /nfs/dbraw/zinc/09/83/26/1006098326.db2.gz CXAGUPGVOPQDBM-UHFFFAOYSA-N -1 1 373.306 2.719 20 10 FFCDMM O=C(CNC(=O)c1ncc(C(F)(F)F)cc1Cl)c1ccc([O-])c(O)c1 ZINC001190652436 1007734706 /nfs/dbraw/zinc/73/47/06/1007734706.db2.gz FHTAGMWCAJMPPN-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM COc1ccc(N2CC[C@H](CNC(=O)c3c(F)ccc([O-])c3F)C2)cc1 ZINC000819590000 1008186669 /nfs/dbraw/zinc/18/66/69/1008186669.db2.gz HYLUCAICADGRTN-GFCCVEGCSA-N -1 1 362.376 2.935 20 10 FFCDMM Cc1cc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c(C)n1[C@H]1CCOC1 ZINC000860255193 1008918357 /nfs/dbraw/zinc/91/83/57/1008918357.db2.gz SZOGIBYRQXTTPU-AWEZNQCLSA-N -1 1 359.378 2.517 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])C1CN(C(=O)C2CCCCC2)C1 ZINC001180409573 1009684375 /nfs/dbraw/zinc/68/43/75/1009684375.db2.gz CKMNTXIASLKMPG-UHFFFAOYSA-N -1 1 350.846 2.701 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC001180410165 1009685035 /nfs/dbraw/zinc/68/50/35/1009685035.db2.gz KVMLEIISMXPXLF-CQSZACIVSA-N -1 1 362.788 2.854 20 10 FFCDMM O=C(c1c(F)ccc(O)c1[O-])N1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000863942852 1010365132 /nfs/dbraw/zinc/36/51/32/1010365132.db2.gz CLHSRIANHVFOQQ-UHFFFAOYSA-N -1 1 369.396 2.676 20 10 FFCDMM CC[C@@H](C)N1CC[C@]2(CCCN2C(=O)c2ccc(O)c([O-])c2Cl)C1=O ZINC001274705909 1011603096 /nfs/dbraw/zinc/60/30/96/1011603096.db2.gz HTDQFTIOUFAZRJ-ADLMAVQZSA-N -1 1 366.845 2.757 20 10 FFCDMM CC(C)(C)C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cn1 ZINC000837879297 1026079341 /nfs/dbraw/zinc/07/93/41/1026079341.db2.gz JIZTVEPVLFPNPB-UHFFFAOYSA-N -1 1 372.377 2.517 20 10 FFCDMM COc1cccc2c(NCC(=O)c3ccc([O-])c(O)c3)nc(Cl)nc12 ZINC001159275956 1027333445 /nfs/dbraw/zinc/33/34/45/1027333445.db2.gz BXMCFSLGSAWVIT-UHFFFAOYSA-N -1 1 359.769 2.998 20 10 FFCDMM COc1ccc2cc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)sc2c1 ZINC001153939539 1028079174 /nfs/dbraw/zinc/07/91/74/1028079174.db2.gz WRVUCICUYSCWTP-UHFFFAOYSA-N -1 1 357.387 2.934 20 10 FFCDMM CC(=O)c1ccc(NC(=O)c2cc3cc(O)c([O-])cc3oc2=O)c(F)c1 ZINC001155228792 1028635457 /nfs/dbraw/zinc/63/54/57/1028635457.db2.gz XJFLWZSZHVELMO-UHFFFAOYSA-N -1 1 357.293 2.798 20 10 FFCDMM C[C@@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1nc2ccccc2[nH]1 ZINC001155233066 1028638634 /nfs/dbraw/zinc/63/86/34/1028638634.db2.gz ZBVMCXDJILNITD-SECBINFHSA-N -1 1 365.345 2.572 20 10 FFCDMM COCCO[C@H]1CC[N@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000780491306 1028712675 /nfs/dbraw/zinc/71/26/75/1028712675.db2.gz IHZIPDNHQQNMPE-INIZCTEOSA-N -1 1 371.433 2.566 20 10 FFCDMM COCCO[C@H]1CC[N@@H+](Cc2c([O-])ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000780491306 1028712690 /nfs/dbraw/zinc/71/26/90/1028712690.db2.gz IHZIPDNHQQNMPE-INIZCTEOSA-N -1 1 371.433 2.566 20 10 FFCDMM Cc1ccc2cc(C(=O)NCC(=O)c3ccc([O-])c(O)c3)cc(C)c2n1 ZINC001156654757 1029289209 /nfs/dbraw/zinc/28/92/09/1029289209.db2.gz VSKZALSRFQNBTI-UHFFFAOYSA-N -1 1 350.374 2.876 20 10 FFCDMM O=C(COC(=O)C1(c2ccc(F)cc2)CCOCC1)c1ccc([O-])c(O)c1 ZINC000783176574 1029947905 /nfs/dbraw/zinc/94/79/05/1029947905.db2.gz VBLKYQLTSQQSDP-UHFFFAOYSA-N -1 1 374.364 2.711 20 10 FFCDMM CCN1CCN(c2ccc(CNc3cccc(C(=O)[O-])n3)cc2F)CC1 ZINC000841498923 1030318625 /nfs/dbraw/zinc/31/86/25/1030318625.db2.gz OBXSVLTXWKCVCB-UHFFFAOYSA-N -1 1 358.417 2.673 20 10 FFCDMM [O-]c1cc(F)c(F)cc1CN1CCO[C@H]2[C@H](Oc3ccccn3)CC[C@@H]21 ZINC001142513104 1030562374 /nfs/dbraw/zinc/56/23/74/1030562374.db2.gz XUAWHLMXNXYUHO-KVSKMBFKSA-N -1 1 362.376 2.876 20 10 FFCDMM O=C1NCCN(Cc2cc(F)c(F)cc2[O-])[C@@H]1c1ccc(Cl)cc1 ZINC001142530288 1030581493 /nfs/dbraw/zinc/58/14/93/1030581493.db2.gz BWACMIZLLSQHDF-MRXNPFEDSA-N -1 1 352.768 2.997 20 10 FFCDMM O=C(NCc1ccnc(-n2cccn2)c1)NCc1cccc(Cl)c1[O-] ZINC001220914409 1034456558 /nfs/dbraw/zinc/45/65/58/1034456558.db2.gz MQHBLIZKXDBQFI-UHFFFAOYSA-N -1 1 357.801 2.626 20 10 FFCDMM COc1cncc(C(=O)NCc2cccc(Br)c2[O-])c1C ZINC001139975113 1035294769 /nfs/dbraw/zinc/29/47/69/1035294769.db2.gz UUNTXLOPSOPBNR-UHFFFAOYSA-N -1 1 351.200 2.797 20 10 FFCDMM CC1=C(Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C(=O)O[C@H]1C ZINC001227581271 1035617954 /nfs/dbraw/zinc/61/79/54/1035617954.db2.gz YUAYRINZOHYZHZ-JTQLQIEISA-N -1 1 350.326 2.766 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3c([O-])cc(F)cc3F)C[C@@H]2C1 ZINC001140583038 1035663381 /nfs/dbraw/zinc/66/33/81/1035663381.db2.gz UPGOFUBWCHXIOJ-TXEJJXNPSA-N -1 1 354.397 2.969 20 10 FFCDMM COC(=O)[C@H]1C[C@@H](C)CN(Cc2c([O-])cc(Br)cc2F)C1 ZINC001233031334 1036269688 /nfs/dbraw/zinc/26/96/88/1036269688.db2.gz BWKYVDATBRKUIT-ZJUUUORDSA-N -1 1 360.223 2.925 20 10 FFCDMM CN1C(=O)CCC12CCN(Cc1c([O-])cc(Br)cc1F)CC2 ZINC001233031356 1036272388 /nfs/dbraw/zinc/27/23/88/1036272388.db2.gz AGEMWWSGDCMMMT-UHFFFAOYSA-N -1 1 371.250 2.881 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN(C)Cc2ccncc2)c1 ZINC001233306354 1036511419 /nfs/dbraw/zinc/51/14/19/1036511419.db2.gz OEMRDJHZBDGIQS-UHFFFAOYSA-N -1 1 365.227 2.968 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC001233309218 1036514174 /nfs/dbraw/zinc/51/41/74/1036514174.db2.gz XTNOPJFVTUMUDG-MRXNPFEDSA-N -1 1 370.243 2.696 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@]23CCOC3)c1 ZINC001233309218 1036514188 /nfs/dbraw/zinc/51/41/88/1036514188.db2.gz XTNOPJFVTUMUDG-MRXNPFEDSA-N -1 1 370.243 2.696 20 10 FFCDMM O=C1NCCN(Cc2c([O-])ccc(F)c2F)[C@H]1c1ccc(Cl)cc1 ZINC001233336506 1036543099 /nfs/dbraw/zinc/54/30/99/1036543099.db2.gz ODSUXJNDPUYBNP-INIZCTEOSA-N -1 1 352.768 2.997 20 10 FFCDMM O=C(c1ccco1)N1CCN(Cc2cccc(C(F)(F)F)c2[O-])CC1 ZINC001233415810 1036610090 /nfs/dbraw/zinc/61/00/90/1036610090.db2.gz IXZNTHNRJUPPHJ-UHFFFAOYSA-N -1 1 354.328 2.962 20 10 FFCDMM Cc1ccnc(N2CCN(Cc3cccc(C(F)(F)F)c3[O-])CC2)n1 ZINC001233419908 1036613634 /nfs/dbraw/zinc/61/36/34/1036613634.db2.gz RECIZYOBFYTEHM-UHFFFAOYSA-N -1 1 352.360 2.832 20 10 FFCDMM O=C1OCCN1C1CCN(Cc2cc(F)cc(Br)c2[O-])CC1 ZINC001235302198 1037461910 /nfs/dbraw/zinc/46/19/10/1037461910.db2.gz KECZKVJYLMAPOJ-UHFFFAOYSA-N -1 1 373.222 2.710 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@H]1CCCN2Cc1ccc(C(=O)[O-])cc1O ZINC001231450482 1037587959 /nfs/dbraw/zinc/58/79/59/1037587959.db2.gz RVZLGSJHYLTCEW-HUUCEWRRSA-N -1 1 362.426 2.674 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@H]2[C@H]1CCCN2Cc1cc(C(=O)[O-])ccc1O ZINC001231562705 1037687228 /nfs/dbraw/zinc/68/72/28/1037687228.db2.gz KTRJBXXGKJFDQL-CABCVRRESA-N -1 1 362.426 2.674 20 10 FFCDMM O=C([O-])c1ccc(O)c(CN2CC[NH+](C3(c4ccccc4)CC3)CC2)c1 ZINC001231566499 1037692605 /nfs/dbraw/zinc/69/26/05/1037692605.db2.gz MNYHSQAVUMLADN-UHFFFAOYSA-N -1 1 352.434 2.897 20 10 FFCDMM CC(C)CN1CC2(CN(Cc3c([O-])ccc(Cl)c3Cl)C2)OCC1=O ZINC001277994534 1038177810 /nfs/dbraw/zinc/17/78/10/1038177810.db2.gz DGVRAHROHWCVTP-UHFFFAOYSA-N -1 1 373.280 2.768 20 10 FFCDMM CC(=O)N1CCC2(CC1)CN(Cc1c([O-])ccc(Cl)c1Cl)CCO2 ZINC001237081090 1038438297 /nfs/dbraw/zinc/43/82/97/1038438297.db2.gz QXHYYMKVUNZUEA-UHFFFAOYSA-N -1 1 373.280 2.912 20 10 FFCDMM CCCCN1C[C@@]2(CC1=O)CCCC[N@H+]2Cc1ccc(C(=O)[O-])cc1O ZINC001276605979 1038623393 /nfs/dbraw/zinc/62/33/93/1038623393.db2.gz RYKUIIFQMJYTTK-FQEVSTJZSA-N -1 1 360.454 2.848 20 10 FFCDMM COC(=O)CCc1ccc(S(=O)(=O)[N-]c2cccc(N(C)C)c2)cc1 ZINC001259325184 1039914108 /nfs/dbraw/zinc/91/41/08/1039914108.db2.gz OIXAVVQYLCLSJP-UHFFFAOYSA-N -1 1 362.451 2.659 20 10 FFCDMM COc1ccc(CN2C[C@H](F)C[C@H]2C)c([O-])c1I ZINC001248481862 1040297667 /nfs/dbraw/zinc/29/76/67/1040297667.db2.gz INCYZIOUBVGEQN-PSASIEDQSA-N -1 1 365.186 2.938 20 10 FFCDMM COc1ccc(CN2CC3(CCC3)C2)c([O-])c1I ZINC001248482189 1040298121 /nfs/dbraw/zinc/29/81/21/1040298121.db2.gz UJBYTBONIBWECJ-UHFFFAOYSA-N -1 1 359.207 2.991 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])NC[C@@H]1CC(=O)c2ccccc2O1 ZINC001254309222 1040670498 /nfs/dbraw/zinc/67/04/98/1040670498.db2.gz RAPRAHSPMSAJHU-LBPRGKRZSA-N -1 1 360.797 2.879 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@@H](O)C1 ZINC001237935287 1043441699 /nfs/dbraw/zinc/44/16/99/1043441699.db2.gz UTWJKGBIEZESAM-GFCCVEGCSA-N -1 1 374.840 2.598 20 10 FFCDMM Cc1cc(CN2C[C@H]3CC[C@@H](C2)N3Cc2ccc(F)c(F)c2[O-])n(C)n1 ZINC001279696623 1043485469 /nfs/dbraw/zinc/48/54/69/1043485469.db2.gz CFHOLUWZTKLUEX-GASCZTMLSA-N -1 1 362.424 2.561 20 10 FFCDMM CCn1ccnc1CN1C[C@H]2CC[C@@H](C1)N2Cc1ccc(F)c(F)c1[O-] ZINC001279697448 1043486901 /nfs/dbraw/zinc/48/69/01/1043486901.db2.gz MHUCDMQISUDKJR-GASCZTMLSA-N -1 1 362.424 2.736 20 10 FFCDMM O=C(Nc1ccc(O)cc1O)[C@@]12C[C@@H]1CCN2Cc1c([O-])cccc1F ZINC001280006777 1044077323 /nfs/dbraw/zinc/07/73/23/1044077323.db2.gz POIYAVHJWYBTKT-JEOXALJRSA-N -1 1 358.369 2.546 20 10 FFCDMM CC1(C)Cc2cccc(S(=O)(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2O1 ZINC001322628462 1046156469 /nfs/dbraw/zinc/15/64/69/1046156469.db2.gz KIYBUDNCOZNOKX-UHFFFAOYSA-N -1 1 363.391 2.605 20 10 FFCDMM CC(C)(C)C(=O)Nc1nccnc1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305085224 1051800623 /nfs/dbraw/zinc/80/06/23/1051800623.db2.gz UFXGNLKBOHYDQC-UHFFFAOYSA-N -1 1 362.817 2.750 20 10 FFCDMM CC(C)(C)OC(=O)N1CSC[C@H]1C(=O)NCc1cccc(Cl)c1[O-] ZINC001305085180 1051801213 /nfs/dbraw/zinc/80/12/13/1051801213.db2.gz RONDNARIKXKGTE-LBPRGKRZSA-N -1 1 372.874 2.972 20 10 FFCDMM CC(C)CCn1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])n1 ZINC001338714133 1055753558 /nfs/dbraw/zinc/75/35/58/1055753558.db2.gz YCHRFCLPJZZPBJ-UHFFFAOYSA-N -1 1 364.833 2.543 20 10 FFCDMM CC(C)(C)C(=O)N1CCC(NC(=O)NCc2cccc(Cl)c2[O-])CC1 ZINC001357158710 1055798701 /nfs/dbraw/zinc/79/87/01/1055798701.db2.gz CYFRMTWRKQYDNR-UHFFFAOYSA-N -1 1 367.877 2.882 20 10 FFCDMM CCN(CC)c1ccc(CNC(=O)c2c(C)[n-]c(=O)nc2SC)cc1 ZINC000176054091 509299562 /nfs/dbraw/zinc/29/95/62/509299562.db2.gz WFAIJHSDVBHMSX-UHFFFAOYSA-N -1 1 360.483 2.576 20 10 FFCDMM Cc1nn(C)c(C)c1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000277275058 510958277 /nfs/dbraw/zinc/95/82/77/510958277.db2.gz ALWDKLGYTURUCL-UHFFFAOYSA-N -1 1 367.247 2.504 20 10 FFCDMM CCCC(=O)N1CCC[C@@H]1C(=O)NCc1cccc(Br)c1[O-] ZINC000277387579 510962384 /nfs/dbraw/zinc/96/23/84/510962384.db2.gz AHAGTLFMCCGXKH-CYBMUJFWSA-N -1 1 369.259 2.562 20 10 FFCDMM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1c(F)ccc(O)c1[O-] ZINC000294704419 511149142 /nfs/dbraw/zinc/14/91/42/511149142.db2.gz AZNZTHSVHZAXRK-UHFFFAOYSA-N -1 1 372.396 2.793 20 10 FFCDMM Cc1c(C(=O)NCc2cccc(Br)c2[O-])nnn1C(C)C ZINC000295372693 511381581 /nfs/dbraw/zinc/38/15/81/511381581.db2.gz ONIWHVZLBLHUFX-UHFFFAOYSA-N -1 1 353.220 2.566 20 10 FFCDMM COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)c1 ZINC000273299407 511521540 /nfs/dbraw/zinc/52/15/40/511521540.db2.gz BAIJCTUCUIVCBY-ZDUSSCGKSA-N -1 1 356.422 2.731 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCC[C@@H](CS(C)(=O)=O)C2)c1[O-] ZINC000293361366 511937380 /nfs/dbraw/zinc/93/73/80/511937380.db2.gz OJEMOFNAXYDAIY-GFCCVEGCSA-N -1 1 359.875 2.505 20 10 FFCDMM Cc1cc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cc(Cl)ccc3O)C2)no1 ZINC000366403079 512002864 /nfs/dbraw/zinc/00/28/64/512002864.db2.gz SSTHQWYYWWLNPV-OAHLLOKOSA-N -1 1 363.845 2.665 20 10 FFCDMM CN(C)c1ccc(CN(CC(=O)NC2(C(=O)[O-])CCCCC2)C2CC2)cc1 ZINC000830635873 604967837 /nfs/dbraw/zinc/96/78/37/604967837.db2.gz TUZMWRPKQOYSPL-UHFFFAOYSA-N -1 1 373.497 2.621 20 10 FFCDMM Cc1cc(O)c(C(C)C)cc1[N-]S(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000822210950 606712945 /nfs/dbraw/zinc/71/29/45/606712945.db2.gz YIDHKZWLQYTASP-UHFFFAOYSA-N -1 1 373.438 2.805 20 10 FFCDMM Cn1nnnc1-c1cccc(NCc2cccc(Br)c2[O-])c1 ZINC000098039196 728484161 /nfs/dbraw/zinc/48/41/61/728484161.db2.gz OTUSWGLGOJTQJP-UHFFFAOYSA-N -1 1 360.215 2.957 20 10 FFCDMM O=C(/C=C/COC1CCOCC1)NCc1cccc(Br)c1[O-] ZINC000867830765 731231673 /nfs/dbraw/zinc/23/16/73/731231673.db2.gz IIVRKJKQBHDDPF-GORDUTHDSA-N -1 1 370.243 2.523 20 10 FFCDMM Cn1cc([C@@H]2C[C@H](C(=O)[O-])C[N@@H+](Cc3c([O-])ccc(Cl)c3F)C2)cn1 ZINC000874048061 732001221 /nfs/dbraw/zinc/00/12/21/732001221.db2.gz IBQWREKBWHMJQJ-MNOVXSKESA-N -1 1 367.808 2.609 20 10 FFCDMM Cn1cc([C@@H]2C[C@@H](C(=O)[O-])C[N@@H+](Cc3cc(Cl)c(F)cc3[O-])C2)cn1 ZINC000874048116 732001454 /nfs/dbraw/zinc/00/14/54/732001454.db2.gz KEEOTEDDCNGVLZ-ZYHUDNBSSA-N -1 1 367.808 2.609 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])NC[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926626710 738638436 /nfs/dbraw/zinc/63/84/36/738638436.db2.gz JIUQZTKXGHJMKE-UHTWSYAYSA-N -1 1 367.243 2.545 20 10 FFCDMM Cc1cc(O)ccc1[N-]S(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000740701173 735081633 /nfs/dbraw/zinc/08/16/33/735081633.db2.gz WZXUFVGRZFXWJO-UHFFFAOYSA-N -1 1 352.799 2.649 20 10 FFCDMM CN(C)[C@H](CCNC(=O)NCc1cccc(Cl)c1[O-])C(F)(F)F ZINC000896685279 735180033 /nfs/dbraw/zinc/18/00/33/735180033.db2.gz ZUNOZJVLXBJQMM-LLVKDONJSA-N -1 1 353.772 2.727 20 10 FFCDMM CCOC(=O)[C@H]1CSCCN1Cc1cc(Cl)cc(C(C)=O)c1[O-] ZINC000750035512 735767877 /nfs/dbraw/zinc/76/78/77/735767877.db2.gz FNGBLUOFKDLVBG-CQSZACIVSA-N -1 1 357.859 2.729 20 10 FFCDMM O=C([O-])N[C@H]1C[C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C12CCC2 ZINC000904238819 736237144 /nfs/dbraw/zinc/23/71/44/736237144.db2.gz FPCSXZJCKREKKG-OLZOCXBDSA-N -1 1 355.232 2.823 20 10 FFCDMM Cc1cccc(CNC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000764761616 737047068 /nfs/dbraw/zinc/04/70/68/737047068.db2.gz BSRJUPQRAGDECV-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM C[C@H](Cc1ccncc1)NC(=O)NCc1cccc(Br)c1[O-] ZINC000764790939 737050146 /nfs/dbraw/zinc/05/01/46/737050146.db2.gz KYDCZUXXUMNACX-LLVKDONJSA-N -1 1 364.243 2.980 20 10 FFCDMM COc1cccc(OCC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000765730595 737149989 /nfs/dbraw/zinc/14/99/89/737149989.db2.gz DOEZQIAEJUKBGL-UHFFFAOYSA-N -1 1 366.211 2.859 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cccc(-n2ccnn2)c1 ZINC000765766533 737156447 /nfs/dbraw/zinc/15/64/47/737156447.db2.gz YMZDAOXBOQRBLG-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM CC(=O)c1cc(O)ccc1NS(=O)(=O)c1ccc(C(=O)[O-])cc1Cl ZINC000766047012 737186546 /nfs/dbraw/zinc/18/65/46/737186546.db2.gz AUUBTDBGVJCGSS-UHFFFAOYSA-N -1 1 369.782 2.747 20 10 FFCDMM CC(C)CN1C(=O)C(=CNc2ccc(C(F)(F)F)cc2)C(=O)[N-]C1=S ZINC000920976590 737937304 /nfs/dbraw/zinc/93/73/04/737937304.db2.gz YCWRREOCYLOZKK-KPKJPENVSA-N -1 1 371.384 2.901 20 10 FFCDMM CSc1cc(O)ccc1NS(=O)(=O)c1ccc([O-])c(NC(C)=O)c1 ZINC000792702891 739695876 /nfs/dbraw/zinc/69/58/76/739695876.db2.gz HLPPAWOERFAUAR-UHFFFAOYSA-N -1 1 368.436 2.579 20 10 FFCDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(O)c(OC)c2)ccc1C ZINC000795363224 740010436 /nfs/dbraw/zinc/01/04/36/740010436.db2.gz VHKUGUYUPLTLRM-UHFFFAOYSA-N -1 1 365.407 2.687 20 10 FFCDMM O=S(=O)([N-]c1c2c(ccc1Cl)OCC2)c1cccc2nonc21 ZINC000795662047 740050007 /nfs/dbraw/zinc/05/00/07/740050007.db2.gz GNNIXHMMFFWKJT-UHFFFAOYSA-N -1 1 351.771 2.612 20 10 FFCDMM Cn1cc2c(n1)CCC[C@@H]2C(=O)NCc1cccc(Br)c1[O-] ZINC000799003474 740380436 /nfs/dbraw/zinc/38/04/36/740380436.db2.gz YCMXBEIXXDGVFN-NSHDSACASA-N -1 1 364.243 2.625 20 10 FFCDMM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)c(C)c(C)c1O ZINC000799123851 740389484 /nfs/dbraw/zinc/38/94/84/740389484.db2.gz JGPWQXSWWIZHKF-UHFFFAOYSA-N -1 1 368.842 2.871 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1cn2c(n1)CCCC2 ZINC000799728732 740446105 /nfs/dbraw/zinc/44/61/05/740446105.db2.gz FXLPXWPTMHAIIG-UHFFFAOYSA-N -1 1 350.216 2.618 20 10 FFCDMM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(Cl)c(O)cc1F ZINC000808115855 741188486 /nfs/dbraw/zinc/18/84/86/741188486.db2.gz VPQZAWZSZLZRCT-UHFFFAOYSA-N -1 1 359.762 2.992 20 10 FFCDMM O=C1[N-]C(=S)S/C1=C/c1cn(-c2ccccc2Br)nn1 ZINC000811685347 741548556 /nfs/dbraw/zinc/54/85/56/741548556.db2.gz PNOFIGMTRJSNHU-BJMVGYQFSA-N -1 1 367.253 2.519 20 10 FFCDMM CC(C)[C@H](CNC(=O)c1c(F)ccc(O)c1[O-])NC(=O)OC(C)(C)C ZINC000825873496 743337156 /nfs/dbraw/zinc/33/71/56/743337156.db2.gz KWQBGLZAHBHXNS-NSHDSACASA-N -1 1 356.394 2.516 20 10 FFCDMM C[C@@H](NC(=O)c1c(F)ccc(O)c1[O-])C1CCN(CC(F)(F)F)CC1 ZINC000829595938 745230486 /nfs/dbraw/zinc/23/04/86/745230486.db2.gz USZNEPAILDMUIN-SECBINFHSA-N -1 1 364.339 2.630 20 10 FFCDMM O=C(Cc1cc(C2CC2)no1)NCc1cccc(Br)c1[O-] ZINC000834476218 745846175 /nfs/dbraw/zinc/84/61/75/745846175.db2.gz RNBZDKHVYDSFDC-UHFFFAOYSA-N -1 1 351.200 2.879 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@@H](C)NCc2nn(C)cc2Br)c1 ZINC000834884868 745918758 /nfs/dbraw/zinc/91/87/58/745918758.db2.gz PZXDUOTWIFRJOP-SECBINFHSA-N -1 1 368.231 2.526 20 10 FFCDMM O=C(NCCC[C@H]1CCOC1)NCc1cccc(Br)c1[O-] ZINC000836647408 746275410 /nfs/dbraw/zinc/27/54/10/746275410.db2.gz UAFRDMUMJSXKDX-NSHDSACASA-N -1 1 357.248 2.771 20 10 FFCDMM C[C@H](CC(=O)NCc1cccc(Br)c1[O-])c1cnn(C)c1 ZINC000839738691 746907650 /nfs/dbraw/zinc/90/76/50/746907650.db2.gz CMOQQFOXPILGNN-SNVBAGLBSA-N -1 1 352.232 2.698 20 10 FFCDMM O=C(COC(=O)[C@@H](C[C@H]1CCCO1)C(F)(F)F)c1ccc([O-])c(O)c1 ZINC000845316010 748225953 /nfs/dbraw/zinc/22/59/53/748225953.db2.gz FAMCKYHVIKRTFA-GHMZBOCLSA-N -1 1 362.300 2.571 20 10 FFCDMM COc1c([O-])c(CN[C@H](C[C@H]2CCCO2)C(F)(F)F)ccc1[N+](=O)[O-] ZINC000848927277 749036806 /nfs/dbraw/zinc/03/68/06/749036806.db2.gz DSIBTBMIJSWCAB-ZYHUDNBSSA-N -1 1 364.320 2.899 20 10 FFCDMM CCCCN1C[C@]2(CC1=O)COCCN(Cc1c(F)ccc(F)c1[O-])C2 ZINC001275956775 1013227082 /nfs/dbraw/zinc/22/70/82/1013227082.db2.gz MLKJKJAQBTWQEA-LJQANCHMSA-N -1 1 368.424 2.521 20 10 FFCDMM O=C1[N-]N(c2ccccc2)C(=O)/C1=C/c1cnn(-c2ccc(Cl)cc2)c1 ZINC000728696788 970364990 /nfs/dbraw/zinc/36/49/90/970364990.db2.gz DLJKDGJZFYYJDW-LICLKQGHSA-N -1 1 364.792 2.987 20 10 FFCDMM CO[C@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3[O-])Cc3cccnc3N2C1 ZINC000877690777 1014684150 /nfs/dbraw/zinc/68/41/50/1014684150.db2.gz HJULJWJMMHBNFN-GJZGRUSLSA-N -1 1 361.392 2.675 20 10 FFCDMM COC(=O)[C@H]1[C@@H](c2ccccc2)OCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534801 982624121 /nfs/dbraw/zinc/62/41/21/982624121.db2.gz XLFMVFNNKKXDOQ-QZTJIDSGSA-N -1 1 363.360 2.786 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)N3CCCC[C@H](C)C3)cc12 ZINC001184356706 1002565377 /nfs/dbraw/zinc/56/53/77/1002565377.db2.gz LRAKDDNXOXDUGY-AWEZNQCLSA-N -1 1 372.465 2.887 20 10 FFCDMM CCOC(=O)c1ccc2c(c1)ncnc2NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316839 1003106293 /nfs/dbraw/zinc/10/62/93/1003106293.db2.gz QRGCXEJGTUGBMU-UHFFFAOYSA-N -1 1 367.361 2.513 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Br)cn1 ZINC001196165958 1003692683 /nfs/dbraw/zinc/69/26/83/1003692683.db2.gz NRGPCDWMOSCTQU-UHFFFAOYSA-N -1 1 365.155 2.629 20 10 FFCDMM O=C(CNC(=O)c1ccc(Cl)nc1C(F)(F)F)c1ccc([O-])c(O)c1 ZINC001192482725 1004186586 /nfs/dbraw/zinc/18/65/86/1004186586.db2.gz GUGYHDPFYCJSST-UHFFFAOYSA-N -1 1 374.702 2.778 20 10 FFCDMM O=C(Nc1cnc(-n2nccn2)c(Cl)c1)c1ccc(O)c([O-])c1Cl ZINC001193220770 1004407363 /nfs/dbraw/zinc/40/73/63/1004407363.db2.gz WWWDAPIZDZBXHR-UHFFFAOYSA-N -1 1 366.164 2.633 20 10 FFCDMM COC(=O)c1cc(OC)ccc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193232521 1004411608 /nfs/dbraw/zinc/41/16/08/1004411608.db2.gz MKCJSYCSOBTTSV-UHFFFAOYSA-N -1 1 351.742 2.799 20 10 FFCDMM COC(=O)C[C@@H](NC(=O)c1ccc(O)c([O-])c1Cl)C1CCCCC1 ZINC001193246769 1004418224 /nfs/dbraw/zinc/41/82/24/1004418224.db2.gz AYSTWDZIMAPRSV-GFCCVEGCSA-N -1 1 355.818 2.993 20 10 FFCDMM O=C(Nc1ccn(CC(F)(F)F)c(=O)c1)c1ccc(O)c([O-])c1Cl ZINC001193247081 1004418479 /nfs/dbraw/zinc/41/84/79/1004418479.db2.gz KDHOTFJPEYTMGO-UHFFFAOYSA-N -1 1 362.691 2.728 20 10 FFCDMM O=C(Nc1ccc(F)cc1N1CCOCC1)c1ccc(O)c([O-])c1Cl ZINC001193230102 1004429796 /nfs/dbraw/zinc/42/97/96/1004429796.db2.gz QBKPEADCNDENFJ-UHFFFAOYSA-N -1 1 366.776 2.979 20 10 FFCDMM O=C(NCC(=O)c1ccc([O-])c(O)c1)Oc1ccc(Br)cc1 ZINC001194614537 1004782064 /nfs/dbraw/zinc/78/20/64/1004782064.db2.gz JSGRPWADRIXBHE-UHFFFAOYSA-N -1 1 366.167 2.832 20 10 FFCDMM O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)[N-]Cc1c(O)cccc1F ZINC001195135721 1004900202 /nfs/dbraw/zinc/90/02/02/1004900202.db2.gz CKLFACOMSPKXMF-UHFFFAOYSA-N -1 1 360.750 2.571 20 10 FFCDMM COc1nc(C)cc(C)c1CN(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000857069001 1008051172 /nfs/dbraw/zinc/05/11/72/1008051172.db2.gz LCVZJJJBGHQVPK-UHFFFAOYSA-N -1 1 361.398 2.961 20 10 FFCDMM NC(=O)N[C@H](CC(=O)NCc1cccc(Cl)c1[O-])c1cccs1 ZINC001180410157 1009684964 /nfs/dbraw/zinc/68/49/64/1009684964.db2.gz KTXIIWIRQIOOTA-LLVKDONJSA-N -1 1 353.831 2.523 20 10 FFCDMM CC[C@H](C)N1C[C@@]2(CC1=O)COCCN(Cc1c([O-])cc(F)cc1F)C2 ZINC001275228752 1012109796 /nfs/dbraw/zinc/10/97/96/1012109796.db2.gz GQKMKSJJTQDWQC-DJJJIMSYSA-N -1 1 368.424 2.520 20 10 FFCDMM CCO[C@@H]1C[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])[C@H]1Oc1ccccc1 ZINC000828862702 1032877088 /nfs/dbraw/zinc/87/70/88/1032877088.db2.gz XPQRQPASXUQERU-DDUZABMNSA-N -1 1 361.369 2.592 20 10 FFCDMM O=C(NCCc1ccc(OCC(F)(F)F)nc1)c1c(F)ccc(O)c1[O-] ZINC000828860865 1032877228 /nfs/dbraw/zinc/87/72/28/1032877228.db2.gz IYMKFHGYJUPZTK-UHFFFAOYSA-N -1 1 374.290 2.546 20 10 FFCDMM O=C(c1c([O-])c(O)ccc1F)N1CC[C@@H](c2nccc(C(F)(F)F)n2)C1 ZINC000900749742 1020629501 /nfs/dbraw/zinc/62/95/01/1020629501.db2.gz BNXLDFOEZBBVIF-MRVPVSSYSA-N -1 1 371.290 2.675 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839793670 1026829812 /nfs/dbraw/zinc/82/98/12/1026829812.db2.gz RQWOBFMBTDGTLU-QWRGUYRKSA-N -1 1 368.405 2.660 20 10 FFCDMM O=C(CNc1cc2ncnc(Cl)c2cc1[N+](=O)[O-])c1ccc([O-])c(O)c1 ZINC001159276184 1027333858 /nfs/dbraw/zinc/33/38/58/1027333858.db2.gz FXZYWWFWSUAAAF-UHFFFAOYSA-N -1 1 374.740 2.897 20 10 FFCDMM CC1CCN(C(=O)c2cccnc2NCC(=O)c2ccc([O-])c(O)c2)CC1 ZINC001159279205 1027334363 /nfs/dbraw/zinc/33/43/63/1027334363.db2.gz LUFHZGUMTVCTES-UHFFFAOYSA-N -1 1 369.421 2.660 20 10 FFCDMM O=C(N[C@@H]1CCc2c1c(F)ccc2F)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235125 1028642421 /nfs/dbraw/zinc/64/24/21/1028642421.db2.gz HGAMQVWSZJZRCM-CYBMUJFWSA-N -1 1 373.311 2.900 20 10 FFCDMM O=C(COC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccc([O-])c(O)c1 ZINC000782460796 1029706875 /nfs/dbraw/zinc/70/68/75/1029706875.db2.gz BVAWOFAKWSGILY-UHFFFAOYSA-N -1 1 373.386 2.572 20 10 FFCDMM Cc1ccccc1C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CCOCC1 ZINC000783176098 1029948707 /nfs/dbraw/zinc/94/87/07/1029948707.db2.gz RRLICKXNQVNWAQ-UHFFFAOYSA-N -1 1 370.401 2.881 20 10 FFCDMM CC(=O)c1cccc(OCCCC(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783280805 1030008660 /nfs/dbraw/zinc/00/86/60/1030008660.db2.gz FGUDYOLHZDVALX-UHFFFAOYSA-N -1 1 372.373 2.886 20 10 FFCDMM CC(C)Cn1ncc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1C1CC1 ZINC000784482848 1030645090 /nfs/dbraw/zinc/64/50/90/1030645090.db2.gz RXYWDJVBBULBRS-UHFFFAOYSA-N -1 1 358.394 2.867 20 10 FFCDMM O=C(COC(=O)c1ccc(OC2CCCC2)nc1)c1ccc([O-])c(O)c1 ZINC000784627623 1030726159 /nfs/dbraw/zinc/72/61/59/1030726159.db2.gz ITHSKUPZSBEZMD-UHFFFAOYSA-N -1 1 357.362 2.854 20 10 FFCDMM CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000829817045 1033354174 /nfs/dbraw/zinc/35/41/74/1033354174.db2.gz KXQVKRGALZVTDP-GHMZBOCLSA-N -1 1 368.405 2.803 20 10 FFCDMM [O-]c1c(F)cccc1CN1CCn2c(Cc3ccc(F)cc3)nnc2C1 ZINC001138128444 1033813644 /nfs/dbraw/zinc/81/36/44/1033813644.db2.gz KOVHRDDNBSJPJM-UHFFFAOYSA-N -1 1 356.376 2.869 20 10 FFCDMM O=C1N(CC(F)(F)F)CC[C@@]12CCCN2Cc1c([O-])ccc(F)c1F ZINC001277097632 1034516699 /nfs/dbraw/zinc/51/66/99/1034516699.db2.gz JGQUPWNLUXLUNQ-HNNXBMFYSA-N -1 1 364.314 2.800 20 10 FFCDMM CC(=O)N1CCC[C@H](Oc2c([O-])ccc3c2C(=O)c2ccccc2C3=O)C1 ZINC001227580137 1035616332 /nfs/dbraw/zinc/61/63/32/1035616332.db2.gz HJEKHQZSTKTEQM-ZDUSSCGKSA-N -1 1 365.385 2.557 20 10 FFCDMM COc1cc(C)nc(OC2CCN(Cc3c([O-])cc(F)cc3F)CC2)n1 ZINC001140585523 1035671547 /nfs/dbraw/zinc/67/15/47/1035671547.db2.gz MEEHQLQBQGDHNY-UHFFFAOYSA-N -1 1 365.380 2.821 20 10 FFCDMM CC1=C(Oc2c(O)c(O)ccc2C(=O)c2ccc([O-])cc2)C(=O)O[C@@H]1C ZINC001228110795 1035937057 /nfs/dbraw/zinc/93/70/57/1035937057.db2.gz MBCGBYZCOLIMIY-SNVBAGLBSA-N -1 1 356.330 2.633 20 10 FFCDMM C=CC(=O)OC[C@@H](C)Oc1c(O)c(O)ccc1C(=O)c1ccc([O-])cc1 ZINC001228116209 1035941917 /nfs/dbraw/zinc/94/19/17/1035941917.db2.gz VRUKISXSZWDEMP-LLVKDONJSA-N -1 1 358.346 2.531 20 10 FFCDMM [O-]c1cc(Br)cc(F)c1CN1CCC[C@@](F)(CO)CC1 ZINC001233028501 1036267601 /nfs/dbraw/zinc/26/76/01/1036267601.db2.gz PEXMQHSMBFOKCY-AWEZNQCLSA-N -1 1 350.203 2.980 20 10 FFCDMM O=c1c2ccccc2nnn1C1CCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233078759 1036325837 /nfs/dbraw/zinc/32/58/37/1036325837.db2.gz IWOIEIQRRYFMPR-UHFFFAOYSA-N -1 1 372.375 2.612 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CC[C@@]3(CCCO3)C2)c1 ZINC001233306276 1036511290 /nfs/dbraw/zinc/51/12/90/1036511290.db2.gz LFQLVTCXJCKINC-INIZCTEOSA-N -1 1 370.243 2.696 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC001233309217 1036514297 /nfs/dbraw/zinc/51/42/97/1036514297.db2.gz XTNOPJFVTUMUDG-INIZCTEOSA-N -1 1 370.243 2.696 20 10 FFCDMM COC(=O)c1cc(Br)c([O-])c(CN2CCC[C@@]23CCOC3)c1 ZINC001233309217 1036514306 /nfs/dbraw/zinc/51/43/06/1036514306.db2.gz XTNOPJFVTUMUDG-INIZCTEOSA-N -1 1 370.243 2.696 20 10 FFCDMM [O-]c1ccc(F)c(F)c1CN1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001233335500 1036541260 /nfs/dbraw/zinc/54/12/60/1036541260.db2.gz YEGFMGUXEFCOSQ-UHFFFAOYSA-N -1 1 374.313 2.801 20 10 FFCDMM C[C@H](Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O)c1cncnc1 ZINC001229198006 1036548494 /nfs/dbraw/zinc/54/84/94/1036548494.db2.gz SXRRYJNNPNSPCD-JTQLQIEISA-N -1 1 362.341 2.803 20 10 FFCDMM O=C1CCCC[C@@H]1Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229199157 1036549453 /nfs/dbraw/zinc/54/94/53/1036549453.db2.gz SYOXULYROJRGML-AWEZNQCLSA-N -1 1 352.342 2.764 20 10 FFCDMM CCn1nnc2c1[C@@H](COC)CN(Cc1cccc(C(F)(F)F)c1[O-])C2 ZINC001233416491 1036610708 /nfs/dbraw/zinc/61/07/08/1036610708.db2.gz KEEQMWDSJLEZKN-GFCCVEGCSA-N -1 1 370.375 2.768 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@H]1C=CCCC1 ZINC001229787229 1036895681 /nfs/dbraw/zinc/89/56/81/1036895681.db2.gz SUCKDTXFWYGMBG-NSHDSACASA-N -1 1 358.346 2.933 20 10 FFCDMM CC(=O)c1cc(O)c([O-])cc1O[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1F ZINC001234473620 1037051845 /nfs/dbraw/zinc/05/18/45/1037051845.db2.gz IZMFJIFQYHZWAB-XHDPSFHLSA-N -1 1 355.362 2.637 20 10 FFCDMM CC(C)(C)OC(=O)N[C@H]1C[C@H](O)CN(Cc2cccc(Cl)c2[O-])C1 ZINC001231909818 1038003105 /nfs/dbraw/zinc/00/31/05/1038003105.db2.gz QCCGGTCUHNXZJD-STQMWFEESA-N -1 1 356.850 2.506 20 10 FFCDMM COC(=O)[C@H]1[C@@H]2CC[C@@H](C2)N1Cc1cc(C)cc(Br)c1[O-] ZINC001236669502 1038182696 /nfs/dbraw/zinc/18/26/96/1038182696.db2.gz KDIYUERCBPCZRX-SCDSUCTJSA-N -1 1 354.244 2.989 20 10 FFCDMM COc1cc([O-])c(CN2CCn3c(COC(C)C)nnc3C2)c(Cl)c1 ZINC001236796704 1038276348 /nfs/dbraw/zinc/27/63/48/1038276348.db2.gz YAXAXBPHGAMHNP-UHFFFAOYSA-N -1 1 366.849 2.587 20 10 FFCDMM CC(=O)[C@@H](C)N1CC[C@@]2(CCCN2Cc2c([O-])ccc(F)c2Cl)C1=O ZINC001278023378 1038334162 /nfs/dbraw/zinc/33/41/62/1038334162.db2.gz UUNVHEIQWCIJKD-ZMZPIMSZSA-N -1 1 368.836 2.729 20 10 FFCDMM COC[C@H]1CN(Cc2c([O-])ccc(Cl)c2Cl)Cc2nnn(C)c21 ZINC001237079875 1038438409 /nfs/dbraw/zinc/43/84/09/1038438409.db2.gz OLEZDSIYGONHSV-SECBINFHSA-N -1 1 357.241 2.573 20 10 FFCDMM CCn1nnc2c1CCN(Cc1c([O-])ccc(F)c1Cl)[C@H]2COC ZINC001237125430 1038451006 /nfs/dbraw/zinc/45/10/06/1038451006.db2.gz ZQMKYHNKXYJGKM-ZDUSSCGKSA-N -1 1 354.813 2.542 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@H](O)C1 ZINC001237123217 1038451032 /nfs/dbraw/zinc/45/10/32/1038451032.db2.gz IUGYYNCRTNIFSS-NSHDSACASA-N -1 1 374.840 2.598 20 10 FFCDMM O=C(NCc1ncc(C(F)(F)F)cn1)NCc1cccc(Cl)c1[O-] ZINC001251257895 1039034767 /nfs/dbraw/zinc/03/47/67/1039034767.db2.gz XLFFQKLDQXZIFQ-UHFFFAOYSA-N -1 1 360.723 2.854 20 10 FFCDMM CS(=O)(=O)CS(=O)(=O)[N-]c1ccc(/N=N/c2ccccc2)cc1 ZINC001260591029 1040667993 /nfs/dbraw/zinc/66/79/93/1040667993.db2.gz WCEZSJMYILVHIJ-FOCLMDBBSA-N -1 1 353.425 2.846 20 10 FFCDMM O=S(=O)(NCc1cccc(Cl)c1[O-])c1c[nH]c(C(F)(F)F)c1 ZINC001214006705 1041158227 /nfs/dbraw/zinc/15/82/27/1041158227.db2.gz VJQOPJCFNRWXNN-UHFFFAOYSA-N -1 1 354.737 2.871 20 10 FFCDMM Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)c1c(C)[nH]c(=O)[n-]c1=S ZINC001263843231 1042496426 /nfs/dbraw/zinc/49/64/26/1042496426.db2.gz SJHKNIIPCYYLRI-NSHDSACASA-N -1 1 360.483 2.515 20 10 FFCDMM O=C(NC1CCN(Cc2cc(Cl)cc(F)c2[O-])CC1)c1ccccn1 ZINC001237623263 1043279351 /nfs/dbraw/zinc/27/93/51/1043279351.db2.gz KNJKLBJLLDGMGP-UHFFFAOYSA-N -1 1 363.820 2.974 20 10 FFCDMM C[C@@H]1CCN(Cc2cccc(I)c2[O-])CCC1=O ZINC001237776465 1043351285 /nfs/dbraw/zinc/35/12/85/1043351285.db2.gz KBMXGZCHKGESBC-SNVBAGLBSA-N -1 1 359.207 2.798 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCn2cccc2C1 ZINC001237778884 1043353158 /nfs/dbraw/zinc/35/31/58/1043353158.db2.gz HNRNXUPSDGVXMO-UHFFFAOYSA-N -1 1 354.191 2.814 20 10 FFCDMM CN(C(=O)[C@@H]1CC12CN(Cc1c(F)ccc(F)c1[O-])C2)C1CC(F)(F)C1 ZINC001279739950 1043562491 /nfs/dbraw/zinc/56/24/91/1043562491.db2.gz GGWRQCBCQRZONO-LBPRGKRZSA-N -1 1 372.362 2.748 20 10 FFCDMM CS(=O)(=O)Cc1ccc(NC(=O)NCc2cccc(Cl)c2[O-])cc1 ZINC001310207034 1043652396 /nfs/dbraw/zinc/65/23/96/1043652396.db2.gz ZAKPEYZLTKLGQX-UHFFFAOYSA-N -1 1 368.842 2.912 20 10 FFCDMM C[C@@H](CCNC(=O)c1c(F)ccc(O)c1[O-])N(C)C(=O)OC(C)(C)C ZINC001324692045 1046169681 /nfs/dbraw/zinc/16/96/81/1046169681.db2.gz DUXMHKIDMDFUQX-JTQLQIEISA-N -1 1 356.394 2.612 20 10 FFCDMM Cn1nncc1NCc1cc(Br)cc(Br)c1[O-] ZINC001308550893 1052467935 /nfs/dbraw/zinc/46/79/35/1052467935.db2.gz BQGYAINGOWUCIB-UHFFFAOYSA-N -1 1 362.025 2.658 20 10 FFCDMM CC(C)(C)OC(=O)C1(C(=O)OCC(=O)c2ccc([O-])c(O)c2)CC=CC1 ZINC000849944873 1060916048 /nfs/dbraw/zinc/91/60/48/1060916048.db2.gz ZKUWXRXQBXWMSL-UHFFFAOYSA-N -1 1 362.378 2.502 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2ccc(-c3ncco3)cc2)c1 ZINC000767157642 1061746738 /nfs/dbraw/zinc/74/67/38/1061746738.db2.gz URGPLIFNZMWXOS-UHFFFAOYSA-N -1 1 373.390 2.671 20 10 FFCDMM O=[N+]([O-])c1c(NCc2ccc(N3CC=CC3)cc2)cccc1-c1nnn[n-]1 ZINC001582802334 1079108803 /nfs/dbraw/zinc/10/88/03/1079108803.db2.gz PQNKRFJDRWDVLQ-UHFFFAOYSA-N -1 1 363.381 2.763 20 10 FFCDMM O=[N+]([O-])c1c(NCc2ccc(N3CC=CC3)cc2)cccc1-c1nn[n-]n1 ZINC001582802334 1079108805 /nfs/dbraw/zinc/10/88/05/1079108805.db2.gz PQNKRFJDRWDVLQ-UHFFFAOYSA-N -1 1 363.381 2.763 20 10 FFCDMM COC(=O)c1ccccc1C(=O)NCc1cccc(Br)c1[O-] ZINC001568610408 1077102722 /nfs/dbraw/zinc/10/27/22/1077102722.db2.gz NYDXXSVHLSPTDZ-UHFFFAOYSA-N -1 1 364.195 2.871 20 10 FFCDMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc2oc1=O ZINC000041371857 506510802 /nfs/dbraw/zinc/51/08/02/506510802.db2.gz ZMXVURXQEULGBU-UHFFFAOYSA-N -1 1 373.434 2.533 20 10 FFCDMM O=C(CSc1nnc(NCC(F)(F)F)s1)c1ccc([O-])c(O)c1 ZINC000057813773 507333386 /nfs/dbraw/zinc/33/33/86/507333386.db2.gz BRXQMFSKZBWSCJ-UHFFFAOYSA-N -1 1 365.358 2.899 20 10 FFCDMM CCCOc1ccc(C[NH+]2CCN([C@@H](C)c3nc(C)no3)CC2)c(O)c1 ZINC000121317377 509165900 /nfs/dbraw/zinc/16/59/00/509165900.db2.gz SGNUOOWWVDFDMH-AWEZNQCLSA-N -1 1 360.458 2.751 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCCN(C(=O)C(C)C)CC2)c1[O-] ZINC000177285472 509979547 /nfs/dbraw/zinc/97/95/47/509979547.db2.gz FNIMSUPDOSMWFH-UHFFFAOYSA-N -1 1 352.862 2.939 20 10 FFCDMM COc1cccc([C@@H]2CN(Cc3ccc([N+](=O)[O-])c(OC)c3[O-])CCO2)c1 ZINC000278138225 510983290 /nfs/dbraw/zinc/98/32/90/510983290.db2.gz AMDWXLQHNJXTDV-KRWDZBQOSA-N -1 1 374.393 2.891 20 10 FFCDMM COc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CCS(C)(=O)=O)c1O ZINC000367830414 512680134 /nfs/dbraw/zinc/68/01/34/512680134.db2.gz BWHLYIFQAHPEBH-AWEZNQCLSA-N -1 1 361.891 2.843 20 10 FFCDMM O=C([O-])[C@H]1CCC[N@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000738718382 600715238 /nfs/dbraw/zinc/71/52/38/600715238.db2.gz FUFHKLQXAFRFCY-AWEZNQCLSA-N -1 1 355.390 2.625 20 10 FFCDMM C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2c(O)ccc(C(=O)c3ccccc3)c2[O-])C1 ZINC000828028950 601886373 /nfs/dbraw/zinc/88/63/73/601886373.db2.gz IXWIRJVARALSJJ-HXUWFJFHSA-N -1 1 355.390 2.625 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN2CCNC(=O)[C@@H]2c2ccccc2)c1[O-] ZINC000177261957 729133069 /nfs/dbraw/zinc/13/30/69/729133069.db2.gz CBYGXYNOYIPIOC-KRWDZBQOSA-N -1 1 358.825 2.921 20 10 FFCDMM C[C@@H]1CCc2nc(C(=O)NCc3cccc(Br)c3[O-])cn2C1 ZINC000857950185 730414529 /nfs/dbraw/zinc/41/45/29/730414529.db2.gz KCCKRLPGZIXFNY-SNVBAGLBSA-N -1 1 364.243 2.864 20 10 FFCDMM CCOC(=O)N1CCC[N@H+](Cc2c(O)cccc2Br)CC1 ZINC000862237274 730679689 /nfs/dbraw/zinc/67/96/89/730679689.db2.gz LAOYDNCHEPXECT-UHFFFAOYSA-N -1 1 357.248 2.819 20 10 FFCDMM COc1ccc(OC)c(CN(CCO)Cc2ccc(F)c(F)c2[O-])c1 ZINC000876727744 732273212 /nfs/dbraw/zinc/27/32/12/732273212.db2.gz AZBYGTYQRWFXPZ-UHFFFAOYSA-N -1 1 353.365 2.682 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCN(C(=O)C3CC3)CC2)c1 ZINC000781895140 738668810 /nfs/dbraw/zinc/66/88/10/738668810.db2.gz OAYBHTYAIPJJCU-UHFFFAOYSA-N -1 1 353.260 2.517 20 10 FFCDMM O=C(COC(=O)c1cc(Cl)c2c(c1)OCCO2)c1ccc([O-])c(O)c1 ZINC000782090499 738687718 /nfs/dbraw/zinc/68/77/18/738687718.db2.gz NLXMKIWTMPMVJP-UHFFFAOYSA-N -1 1 364.737 2.562 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000890758155 734336371 /nfs/dbraw/zinc/33/63/71/734336371.db2.gz RYFVBQIRIIHXPG-AWEZNQCLSA-N -1 1 362.813 2.950 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000890760599 734336954 /nfs/dbraw/zinc/33/69/54/734336954.db2.gz UWDUHYFVLCNBTI-UHFFFAOYSA-N -1 1 364.804 2.951 20 10 FFCDMM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCO3)ccc1F ZINC000728500950 734529427 /nfs/dbraw/zinc/52/94/27/734529427.db2.gz AFIQHPSPRWQRTA-UHFFFAOYSA-N -1 1 367.354 2.532 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@@H]1CCN(c2ncccc2F)C1 ZINC000893582897 734722083 /nfs/dbraw/zinc/72/20/83/734722083.db2.gz WYPHKRUPHNRHDO-GFCCVEGCSA-N -1 1 364.808 2.658 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])N[C@H]1CCO[C@@]2(CCSC2)C1 ZINC000893752038 734746590 /nfs/dbraw/zinc/74/65/90/734746590.db2.gz IYVWKDUZOGPYPC-LRDDRELGSA-N -1 1 356.875 2.900 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN(CCO)Cc1cccnc1 ZINC000894002627 734785372 /nfs/dbraw/zinc/78/53/72/734785372.db2.gz UDWKVKLNUIZOFI-UHFFFAOYSA-N -1 1 355.207 2.683 20 10 FFCDMM COCC1(O)CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000894034215 734790319 /nfs/dbraw/zinc/79/03/19/734790319.db2.gz MIJGDIVGJWZUEU-UHFFFAOYSA-N -1 1 364.667 2.781 20 10 FFCDMM C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)NCc1cccc(Cl)c1[O-] ZINC000894431485 734857354 /nfs/dbraw/zinc/85/73/54/734857354.db2.gz BLWAKBWCNXHQOM-JTQLQIEISA-N -1 1 357.838 2.758 20 10 FFCDMM Cc1cncc(CNC(=O)NCc2cccc(Br)c2[O-])c1 ZINC000764800549 737051166 /nfs/dbraw/zinc/05/11/66/737051166.db2.gz PLPCHSABPUEBRA-UHFFFAOYSA-N -1 1 350.216 2.858 20 10 FFCDMM C[C@H](Oc1cccnc1)C(=O)NCc1cccc(Br)c1[O-] ZINC000765737766 737151435 /nfs/dbraw/zinc/15/14/35/737151435.db2.gz ZKTXIBBZQVAGKL-JTQLQIEISA-N -1 1 351.200 2.633 20 10 FFCDMM O=C(COC(=O)c1cccc(Br)c1)c1ccc([O-])c(O)c1 ZINC000916589995 737713554 /nfs/dbraw/zinc/71/35/54/737713554.db2.gz SLFCOSJNPDTERZ-UHFFFAOYSA-N -1 1 351.152 2.900 20 10 FFCDMM O=C(COC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc([O-])c(O)c1 ZINC000916621265 737716475 /nfs/dbraw/zinc/71/64/75/737716475.db2.gz MYUNHCHHWJRJOJ-UHFFFAOYSA-N -1 1 351.698 2.699 20 10 FFCDMM COC(=O)[C@H](CC(F)F)NCc1cc(C)cc(Br)c1[O-] ZINC000789578511 739370031 /nfs/dbraw/zinc/37/00/31/739370031.db2.gz BLWJUZUILZHHQE-JTQLQIEISA-N -1 1 352.175 2.750 20 10 FFCDMM COC(=O)c1cccc(Cl)c1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC000790067232 739416141 /nfs/dbraw/zinc/41/61/41/739416141.db2.gz ASKRYRSQCFOUCU-UHFFFAOYSA-N -1 1 359.762 2.772 20 10 FFCDMM C[C@H]1OCC[C@@]12CN(Cc1cc(Cl)cc([N+](=O)[O-])c1[O-])C[C@@H](C)O2 ZINC000790931296 739515473 /nfs/dbraw/zinc/51/54/73/739515473.db2.gz GGYZSOIRTRTDAX-GLKRBJQHSA-N -1 1 356.806 2.722 20 10 FFCDMM CCCS(=O)(=O)Nc1ccc([N-]S(=O)(=O)c2ccsc2)cc1 ZINC000795302892 739999940 /nfs/dbraw/zinc/99/99/40/739999940.db2.gz PQGLMSOXPBFAMX-UHFFFAOYSA-N -1 1 360.482 2.701 20 10 FFCDMM COc1c(C)cc(C)cc1S(=O)(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000800917380 740564455 /nfs/dbraw/zinc/56/44/55/740564455.db2.gz RAXJAHSMQMSYAJ-UHFFFAOYSA-N -1 1 351.380 2.517 20 10 FFCDMM O=C([O-])c1cc(F)cc(S(=O)(=O)Nc2cc(Cl)c(O)cc2F)c1 ZINC000808113581 741188057 /nfs/dbraw/zinc/18/80/57/741188057.db2.gz DDJWAYQRUYFIDC-UHFFFAOYSA-N -1 1 363.725 2.823 20 10 FFCDMM O=C1CNC(=O)N1Cc1cccc(NCc2cc(Cl)c(F)cc2[O-])c1 ZINC000816523034 742038401 /nfs/dbraw/zinc/03/84/01/742038401.db2.gz ZKLUESVKGPNEEJ-UHFFFAOYSA-N -1 1 363.776 2.849 20 10 FFCDMM COC(=O)CNC(=O)c1ccc(NCc2cc(Cl)c(F)cc2[O-])cc1 ZINC000816598356 742045691 /nfs/dbraw/zinc/04/56/91/742045691.db2.gz YOBIRPLTJDWXAF-UHFFFAOYSA-N -1 1 366.776 2.700 20 10 FFCDMM CO[C@H]([C@@H](C)NC(=O)NCc1cccc(Br)c1[O-])C1CC1 ZINC000836644793 746274607 /nfs/dbraw/zinc/27/46/07/746274607.db2.gz VUFZAPPZIMOUTH-YMTOWFKASA-N -1 1 357.248 2.767 20 10 FFCDMM O=C(NCc1n[nH]c(C2CC2)n1)NCc1cc(Cl)cc(Cl)c1[O-] ZINC000838646658 746683642 /nfs/dbraw/zinc/68/36/42/746683642.db2.gz SKAMHKDWBQPMDV-UHFFFAOYSA-N -1 1 356.213 2.694 20 10 FFCDMM CCc1nc(CNC(=O)NCc2cccc(Br)c2[O-])co1 ZINC000838691743 746696879 /nfs/dbraw/zinc/69/68/79/746696879.db2.gz JYYPCFQPOAASGW-UHFFFAOYSA-N -1 1 354.204 2.705 20 10 FFCDMM C[C@H]1CCN(C(=O)c2c(F)ccc(O)c2[O-])C[C@@H]1C(=O)OC(C)(C)C ZINC000844146893 747978594 /nfs/dbraw/zinc/97/85/94/747978594.db2.gz LGEVHEITLCWYBC-QWRGUYRKSA-N -1 1 353.390 2.677 20 10 FFCDMM O=C(Cc1cn2c(n1)CCCC2)NCc1cccc(Br)c1[O-] ZINC000846013603 748382640 /nfs/dbraw/zinc/38/26/40/748382640.db2.gz CXGRSKDDCXCTSX-UHFFFAOYSA-N -1 1 364.243 2.546 20 10 FFCDMM CC[C@@H](C(=O)OC(C)(C)C)N(C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000846117430 748410663 /nfs/dbraw/zinc/41/06/63/748410663.db2.gz DDBAOJYNZIOOIU-LBPRGKRZSA-N -1 1 354.403 2.861 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])[C@H]1CCCN1C(=O)c1ccccc1O ZINC000890759368 960322913 /nfs/dbraw/zinc/32/29/13/960322913.db2.gz KIISETOCIXKDFT-OAHLLOKOSA-N -1 1 374.824 2.672 20 10 FFCDMM CCCc1c(C(=O)OCC(=O)c2ccc([O-])c(O)c2)[nH]c(C)c1C(C)=O ZINC000783062398 970583158 /nfs/dbraw/zinc/58/31/58/970583158.db2.gz DYYOATWWLDEMTP-UHFFFAOYSA-N -1 1 359.378 2.929 20 10 FFCDMM CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2cc(Br)ccc2[O-])C(=O)[O-])C1 ZINC001599109467 997540680 /nfs/dbraw/zinc/54/06/80/997540680.db2.gz QNTUWEASVPVSSQ-WDBKCZKBSA-N -1 1 372.259 2.903 20 10 FFCDMM C[C@@H]1C[C@H](c2ccccc2F)N(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)C1 ZINC000846250343 1000244681 /nfs/dbraw/zinc/24/46/81/1000244681.db2.gz ZHZLRJCNRHPSNN-BDJLRTHQSA-N -1 1 370.384 2.855 20 10 FFCDMM CCCN1C(=O)C2(CCCCC2)N[C@H]1c1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000772178852 1001312208 /nfs/dbraw/zinc/31/22/08/1001312208.db2.gz QUJIUWHZGNSAIW-MRXNPFEDSA-N -1 1 363.414 2.852 20 10 FFCDMM COc1ccc([C@H](C(=O)NCC(=O)c2ccc([O-])c(O)c2)C(C)C)cc1 ZINC001182993206 1002118432 /nfs/dbraw/zinc/11/84/32/1002118432.db2.gz LTUFDCIHEYOPAU-LJQANCHMSA-N -1 1 357.406 2.845 20 10 FFCDMM Cc1cc(=O)oc2cc([O-])c(CN(C)CC(=O)Nc3ccccc3)cc12 ZINC001184355288 1002580071 /nfs/dbraw/zinc/58/00/71/1002580071.db2.gz VHXFKBOZFBQDMW-UHFFFAOYSA-N -1 1 352.390 2.878 20 10 FFCDMM COC(=O)c1c(Cl)cc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001170316918 1003105838 /nfs/dbraw/zinc/10/58/38/1003105838.db2.gz VHCCZTRIYYLFMZ-UHFFFAOYSA-N -1 1 371.176 2.881 20 10 FFCDMM O=C(CNc1cc(N2CCc3ccccc32)ncn1)c1ccc([O-])c(O)c1 ZINC001170316083 1003106931 /nfs/dbraw/zinc/10/69/31/1003106931.db2.gz KVYPCYVCKWFFOR-UHFFFAOYSA-N -1 1 362.389 2.877 20 10 FFCDMM O=C(CNC(=O)c1cncc(-c2cccs2)c1)c1ccc([O-])c(O)c1 ZINC001191831282 1003973755 /nfs/dbraw/zinc/97/37/55/1003973755.db2.gz RTTVJSSXKMEWEA-UHFFFAOYSA-N -1 1 354.387 2.834 20 10 FFCDMM COC(=O)c1cccc(C)c1S(=O)(=O)[N-]c1cc(F)c(O)c(F)c1 ZINC001197031584 1004054682 /nfs/dbraw/zinc/05/46/82/1004054682.db2.gz SLPJBILSMFLQMK-UHFFFAOYSA-N -1 1 357.334 2.566 20 10 FFCDMM CC(=O)c1cc([N-]S(=O)(=O)c2cccc(-c3nnc(C)o3)c2)ccc1O ZINC001192265082 1004109503 /nfs/dbraw/zinc/10/95/03/1004109503.db2.gz AAOFUFZFPCTNRM-UHFFFAOYSA-N -1 1 373.390 2.754 20 10 FFCDMM COC(=O)c1cc(O)c(OC)cc1NC(=O)c1ccc(O)c([O-])c1Cl ZINC001193229466 1004429945 /nfs/dbraw/zinc/42/99/45/1004429945.db2.gz JNOBDKKXCBTAGZ-UHFFFAOYSA-N -1 1 367.741 2.504 20 10 FFCDMM NC(=O)CCOc1ccccc1NC(=O)NCc1cccc(Cl)c1[O-] ZINC001198600270 1004676084 /nfs/dbraw/zinc/67/60/84/1004676084.db2.gz DYVQKYASPIHHFC-UHFFFAOYSA-N -1 1 363.801 2.622 20 10 FFCDMM COC(=O)c1ccc([O-])c([C@H](C)NCc2ncn(-c3ccccc3)n2)c1 ZINC000815658243 1006728314 /nfs/dbraw/zinc/72/83/14/1006728314.db2.gz XBQXBIDZMJHUMQ-ZDUSSCGKSA-N -1 1 352.394 2.610 20 10 FFCDMM O=C([O-])Cc1cccc(C(=O)c2ccccc2)c1NS(=O)(=O)CC1CC1 ZINC001188969237 1006826741 /nfs/dbraw/zinc/82/67/41/1006826741.db2.gz MTWFNHNOJMKQOI-UHFFFAOYSA-N -1 1 373.430 2.696 20 10 FFCDMM CN1CCC[C@@H]1C[N@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000817372560 1007567590 /nfs/dbraw/zinc/56/75/90/1007567590.db2.gz JHTOYNPEVGSXEU-MRXNPFEDSA-N -1 1 354.450 2.855 20 10 FFCDMM CN1CCC[C@@H]1C[N@@H+](C)Cc1c([O-])ccc(C(=O)c2ccccc2)c1[O-] ZINC000817372560 1007567603 /nfs/dbraw/zinc/56/76/03/1007567603.db2.gz JHTOYNPEVGSXEU-MRXNPFEDSA-N -1 1 354.450 2.855 20 10 FFCDMM CN(CC(=O)NCc1cccc(Cl)c1[O-])C(=O)OCc1ccccc1 ZINC001180410870 1009684944 /nfs/dbraw/zinc/68/49/44/1009684944.db2.gz TZVUXQQYDUXAGD-UHFFFAOYSA-N -1 1 362.813 2.930 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@@H]1CN(Cc2c([O-])cccc2F)CCO1 ZINC001137832004 1033164101 /nfs/dbraw/zinc/16/41/01/1033164101.db2.gz WPWBRVJJYFZTTH-CYBMUJFWSA-N -1 1 354.422 2.647 20 10 FFCDMM CC(C)(C)OC(=O)NC[C@H]1CC[C@@H](NC(=O)c2c(F)ccc(O)c2[O-])C1 ZINC000839793671 1026830238 /nfs/dbraw/zinc/83/02/38/1026830238.db2.gz RQWOBFMBTDGTLU-WDEREUQCSA-N -1 1 368.405 2.660 20 10 FFCDMM O=C(NCc1cccc(Cl)c1[O-])c1ccc2nnc(C(F)F)n2c1 ZINC001159034382 1027238797 /nfs/dbraw/zinc/23/87/97/1027238797.db2.gz TXTYPVXJTGOTJB-UHFFFAOYSA-N -1 1 352.728 2.956 20 10 FFCDMM CC(C)(C)OC(=O)Nc1nccc(NCC(=O)c2ccc([O-])c(O)c2)n1 ZINC001159276558 1027333280 /nfs/dbraw/zinc/33/32/80/1027333280.db2.gz KOSXZOWDRFJANK-UHFFFAOYSA-N -1 1 360.370 2.530 20 10 FFCDMM CCOC(=O)c1c(C)cc(Cl)nc1NCC(=O)c1ccc([O-])c(O)c1 ZINC001159277769 1027333410 /nfs/dbraw/zinc/33/34/10/1027333410.db2.gz ZDYUAKCSXKNPHB-UHFFFAOYSA-N -1 1 364.785 2.926 20 10 FFCDMM Cc1cccc2nc(NC(=O)c3cc4cc(O)c([O-])cc4oc3=O)[nH]c21 ZINC001155218108 1028627888 /nfs/dbraw/zinc/62/78/88/1028627888.db2.gz HYKUKLXEXZOGFC-UHFFFAOYSA-N -1 1 351.318 2.641 20 10 FFCDMM CC(C)[C@H](NC(=O)c1cc2cc(O)c([O-])cc2oc1=O)c1cccnc1 ZINC001155236120 1028642170 /nfs/dbraw/zinc/64/21/70/1028642170.db2.gz YWTOEGQBDCWBJC-KRWDZBQOSA-N -1 1 354.362 2.726 20 10 FFCDMM O=C(NC[C@H]1CCc2ccccc21)c1cc2cc(O)c([O-])cc2oc1=O ZINC001155235237 1028642372 /nfs/dbraw/zinc/64/23/72/1028642372.db2.gz JHQIZENVLKOJME-GFCCVEGCSA-N -1 1 351.358 2.664 20 10 FFCDMM Cc1nn(CC(C)C)c(C)c1CC(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000782198973 1029607838 /nfs/dbraw/zinc/60/78/38/1029607838.db2.gz NWTCXKNIDUSVQX-UHFFFAOYSA-N -1 1 360.410 2.536 20 10 FFCDMM O=C(COC(=O)c1ccn(-c2ccccc2Cl)n1)c1ccc([O-])c(O)c1 ZINC000783303337 1030021762 /nfs/dbraw/zinc/02/17/62/1030021762.db2.gz CHESXWVRUBOKID-UHFFFAOYSA-N -1 1 372.764 2.977 20 10 FFCDMM COCCCOc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000783863704 1030309701 /nfs/dbraw/zinc/30/97/01/1030309701.db2.gz HQMGGVLSQKMGIW-UHFFFAOYSA-N -1 1 360.362 2.553 20 10 FFCDMM CCOC(=O)c1cnc2n1CCN(Cc1cc(F)c(F)cc1[O-])[C@H]2C ZINC001142531277 1030581650 /nfs/dbraw/zinc/58/16/50/1030581650.db2.gz RQHVYAJHBFPKML-JTQLQIEISA-N -1 1 351.353 2.620 20 10 FFCDMM CC(=CC(=O)OCC(=O)c1ccc([O-])c(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000784687259 1030756183 /nfs/dbraw/zinc/75/61/83/1030756183.db2.gz YQFDPZOOEWDSPG-DHZHZOJOSA-N -1 1 357.318 2.835 20 10 FFCDMM CC(C)(C)OC(=O)NCC[C@H]1CN(Cc2cccc(F)c2[O-])CCO1 ZINC001138122588 1033796648 /nfs/dbraw/zinc/79/66/48/1033796648.db2.gz OSTGIFNNWCVOBD-AWEZNQCLSA-N -1 1 354.422 2.647 20 10 FFCDMM C[C@@H](c1ccccc1)N(C)C(=O)CN(C)C(=O)c1c([O-])c(O)ccc1F ZINC000831348268 1034043815 /nfs/dbraw/zinc/04/38/15/1034043815.db2.gz YKHCQGREYZHKCP-LBPRGKRZSA-N -1 1 360.385 2.529 20 10 FFCDMM [O-]c1c(F)ccc(F)c1CN1C[C@H](Oc2ccccn2)[C@H]2OCCC[C@H]21 ZINC001139682359 1035196825 /nfs/dbraw/zinc/19/68/25/1035196825.db2.gz XGJGBOBJFCQUBW-GJYPPUQNSA-N -1 1 362.376 2.876 20 10 FFCDMM COC[C@@H](C)OC[C@@H](C)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227578400 1035616611 /nfs/dbraw/zinc/61/66/11/1035616611.db2.gz SXVMAKOSLYRABE-CHWSQXEVSA-N -1 1 370.401 2.986 20 10 FFCDMM CCOC(=O)[C@H](CC)Oc1c([O-])ccc2c1C(=O)c1ccccc1C2=O ZINC001227581290 1035618616 /nfs/dbraw/zinc/61/86/16/1035618616.db2.gz YZLQGPFZAFMYGU-HNNXBMFYSA-N -1 1 354.358 2.888 20 10 FFCDMM O=C(Cc1ccccc1)N1CCCN(Cc2ccc(F)c(F)c2[O-])CC1 ZINC001233079068 1036327030 /nfs/dbraw/zinc/32/70/30/1036327030.db2.gz TWDISZXIVKTUCI-UHFFFAOYSA-N -1 1 360.404 2.947 20 10 FFCDMM CCOC(=O)[C@@H](CC)Oc1cc([O-])c(O)c2c1C(=O)c1ccccc1C2=O ZINC001229197923 1036548902 /nfs/dbraw/zinc/54/89/02/1036548902.db2.gz RWDYDEXGNIPPQV-CYBMUJFWSA-N -1 1 370.357 2.594 20 10 FFCDMM Cc1c([O-])cc2c(c1OC[C@@H]1CCC(=O)O1)C(=O)c1ccccc1C2=O ZINC001229829471 1036923602 /nfs/dbraw/zinc/92/36/02/1036923602.db2.gz SMADMCKXJCGIGG-NSHDSACASA-N -1 1 352.342 2.560 20 10 FFCDMM [O-]c1c(F)cc(Br)cc1CN1CC[C@@H](Oc2ncccn2)C1 ZINC001235075043 1037346701 /nfs/dbraw/zinc/34/67/01/1037346701.db2.gz IQDUPCQEFGWYPG-GFCCVEGCSA-N -1 1 368.206 2.737 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CC(N3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC001236670633 1038183696 /nfs/dbraw/zinc/18/36/96/1038183696.db2.gz NXMCQHPCMXFRKU-STQMWFEESA-N -1 1 369.303 2.757 20 10 FFCDMM O=C(N1CCN(Cc2cc(Cl)c(Cl)cc2[O-])CC1)C(F)(F)F ZINC001236793570 1038272877 /nfs/dbraw/zinc/27/28/77/1038272877.db2.gz LFQMFAREATXWLI-UHFFFAOYSA-N -1 1 357.159 2.906 20 10 FFCDMM O=C1CN(Cc2c([O-])ccc(Cl)c2Cl)CCN1c1ccccn1 ZINC001237083721 1038440131 /nfs/dbraw/zinc/44/01/31/1038440131.db2.gz BRXBIPWMVXFKNA-UHFFFAOYSA-N -1 1 352.221 2.943 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2c([O-])ccc(F)c2Cl)C[C@@H](O)C1 ZINC001237123216 1038450591 /nfs/dbraw/zinc/45/05/91/1038450591.db2.gz IUGYYNCRTNIFSS-LLVKDONJSA-N -1 1 374.840 2.598 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1ccc(Cl)c2nonc21 ZINC001261073806 1040980634 /nfs/dbraw/zinc/98/06/34/1040980634.db2.gz VEWVGVVZWMSNNJ-UHFFFAOYSA-N -1 1 361.713 2.661 20 10 FFCDMM [O-]c1c(I)cccc1CN1CCc2ncccc2C1 ZINC001237780088 1043352771 /nfs/dbraw/zinc/35/27/71/1043352771.db2.gz MNZLDTBPMOESNY-UHFFFAOYSA-N -1 1 366.202 2.950 20 10 FFCDMM CC(=O)[C@H]1CCCCN1Cc1cccc(I)c1[O-] ZINC001237782056 1043356442 /nfs/dbraw/zinc/35/64/42/1043356442.db2.gz DAOTUPUWUPZMPB-CYBMUJFWSA-N -1 1 359.207 2.940 20 10 FFCDMM CC(C)(C)OC(=O)N1CCN(Cc2cc(F)c(Cl)cc2[O-])C[C@H](O)C1 ZINC001237935289 1043441428 /nfs/dbraw/zinc/44/14/28/1043441428.db2.gz UTWJKGBIEZESAM-LBPRGKRZSA-N -1 1 374.840 2.598 20 10 FFCDMM O=C([O-])[C@@H](NCc1ccc(N2CCOCC2)c(F)c1)c1ccccc1F ZINC000756334154 1043584803 /nfs/dbraw/zinc/58/48/03/1043584803.db2.gz ZESCDMWBTXEQJM-SFHVURJKSA-N -1 1 362.376 2.717 20 10 FFCDMM O=C(Cn1cccc(C(F)(F)F)c1=O)NCc1cccc(Cl)c1[O-] ZINC001305069736 1051794823 /nfs/dbraw/zinc/79/48/23/1051794823.db2.gz MSMFODQUPHPDJN-UHFFFAOYSA-N -1 1 360.719 2.543 20 10 FFCDMM COc1ccc2c(c1)[C@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CCC2 ZINC000848852755 1055237729 /nfs/dbraw/zinc/23/77/29/1055237729.db2.gz RLQCFBVAYAZAIQ-OAHLLOKOSA-N -1 1 356.374 2.952 20 10 FFCDMM COc1ccc2c(c1)[C@@H](C(=O)OCC(=O)c1ccc([O-])c(O)c1)CCC2 ZINC000848852754 1055238727 /nfs/dbraw/zinc/23/87/27/1055238727.db2.gz RLQCFBVAYAZAIQ-HNNXBMFYSA-N -1 1 356.374 2.952 20 10 FFCDMM CCN1CCc2ccc(NC(=O)C(=O)NCc3cccc(Cl)c3[O-])cc21 ZINC001338709035 1055749685 /nfs/dbraw/zinc/74/96/85/1055749685.db2.gz MIEGAGWASFKPPJ-UHFFFAOYSA-N -1 1 373.840 2.683 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC001479067494 1062212081 /nfs/dbraw/zinc/21/20/81/1062212081.db2.gz IYNWTGCIMBKZHY-GFCCVEGCSA-N -1 1 369.849 2.854 20 10 FFCDMM CCc1nc(C)ncc1C(=O)NCc1cccc(Br)c1[O-] ZINC001467760537 1063841896 /nfs/dbraw/zinc/84/18/96/1063841896.db2.gz GHXWZRILTAQZJI-UHFFFAOYSA-N -1 1 350.216 2.746 20 10 FFCDMM CCNC(=O)c1cccc(CNC(=O)NCc2cccc(Cl)c2[O-])c1 ZINC001467857076 1063868518 /nfs/dbraw/zinc/86/85/18/1063868518.db2.gz UZZOZQPMRYFIBH-UHFFFAOYSA-N -1 1 361.829 2.795 20 10 FFCDMM Cc1cc(C(=O)NCc2nc([O-])cc(=O)[nH]2)c(C)n1-c1ccc(Cl)cc1 ZINC001470582853 1064372371 /nfs/dbraw/zinc/37/23/71/1064372371.db2.gz FCQYNXZWFDVBMI-UHFFFAOYSA-N -1 1 372.812 2.879 20 10 FFCDMM C[C@@H](Nc1cccc([C@@H]2CCC(=O)N2)c1)c1cccc(-c2nn[nH]n2)c1[O-] ZINC001589984929 1080922747 /nfs/dbraw/zinc/92/27/47/1080922747.db2.gz XXSYHEVYEDSZNN-BZNIZROVSA-N -1 1 364.409 2.697 20 10 FFCDMM O=S(=O)([N-]c1cc2c(cc1Cl)OCO2)c1cccc2nsnc21 ZINC000019100049 507155874 /nfs/dbraw/zinc/15/58/74/507155874.db2.gz UFNXQWPSFJJKMP-UHFFFAOYSA-N -1 1 369.811 2.874 20 10 FFCDMM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc(N4CCCC4)c3)cc12 ZINC000111995412 508142722 /nfs/dbraw/zinc/14/27/22/508142722.db2.gz UHRFTJOWALMXIJ-UHFFFAOYSA-N -1 1 371.466 2.678 20 10 FFCDMM COc1cccc([C@H](CC(=O)[O-])NCc2ccc3c(c2)CCO3)c1OC ZINC000277145674 510956088 /nfs/dbraw/zinc/95/60/88/510956088.db2.gz CIZNJMHDUSOSJR-INIZCTEOSA-N -1 1 357.406 2.944 20 10 FFCDMM C[C@@H](NC(=O)NCc1cccc(Br)c1[O-])C1CCOCC1 ZINC000277588647 510967356 /nfs/dbraw/zinc/96/73/56/510967356.db2.gz TYSMEDKRSDDZTF-SNVBAGLBSA-N -1 1 357.248 2.769 20 10 FFCDMM CCCNC(=O)C1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2[O-])CCCCC1 ZINC000278477271 510993534 /nfs/dbraw/zinc/99/35/34/510993534.db2.gz IPLJFTMXSLCULB-UHFFFAOYSA-N -1 1 365.430 2.628 20 10 FFCDMM CC(=O)c1cc(Cl)cc(CN(C)Cc2ncnn2CC(F)F)c1[O-] ZINC000278969186 511015844 /nfs/dbraw/zinc/01/58/44/511015844.db2.gz PYPZWXZBDVTBDU-UHFFFAOYSA-N -1 1 358.776 2.737 20 10 FFCDMM O=S(=O)(CC1CC(F)(F)C1)NCc1cccc(Br)c1[O-] ZINC000296207810 511656103 /nfs/dbraw/zinc/65/61/03/511656103.db2.gz MJKMRYUDDFEQFF-UHFFFAOYSA-N -1 1 370.215 2.619 20 10 FFCDMM CC(=O)c1cc(F)cc(C[N@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)c1[O-] ZINC000375823216 512525787 /nfs/dbraw/zinc/52/57/87/512525787.db2.gz JGWDUACDZNTOTH-WMZOPIPTSA-N -1 1 361.417 2.556 20 10 FFCDMM O=C([O-])NC[C@@H]1CCN(Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000834226314 605573280 /nfs/dbraw/zinc/57/32/80/605573280.db2.gz VXZOBGRWQPBVLR-HNNXBMFYSA-N -1 1 362.430 2.675 20 10 FFCDMM Cc1cc(Br)c([O-])c(C[N@H+]2CCC[C@H](CNC(=O)[O-])C2)c1 ZINC000833898685 605912937 /nfs/dbraw/zinc/91/29/37/605912937.db2.gz VWQGDFQIWNANBV-LLVKDONJSA-N -1 1 357.248 2.943 20 10 FFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nnn[n-]2)s1 ZINC000821222734 606536444 /nfs/dbraw/zinc/53/64/44/606536444.db2.gz YAWVWGCHXBEEBN-UHFFFAOYSA-N -1 1 356.455 2.657 20 10 FFCDMM CCN(Cc1ccc(N(C)C)cc1)C(=O)c1ccc(-c2nn[n-]n2)s1 ZINC000821222734 606536445 /nfs/dbraw/zinc/53/64/45/606536445.db2.gz YAWVWGCHXBEEBN-UHFFFAOYSA-N -1 1 356.455 2.657 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)N(CC2CC2)c2ccccc2)c1 ZINC000092426559 728467293 /nfs/dbraw/zinc/46/72/93/728467293.db2.gz VJCJNZCHUUYCNZ-UHFFFAOYSA-N -1 1 360.435 2.821 20 10 FFCDMM CN1CCN(Cc2cc(Br)cc(Br)c2[O-])CC1 ZINC000183368839 729302722 /nfs/dbraw/zinc/30/27/22/729302722.db2.gz NWOGJOLIPNNGFG-UHFFFAOYSA-N -1 1 364.081 2.665 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ncc2n1CCCC2 ZINC000867831391 731231686 /nfs/dbraw/zinc/23/16/86/731231686.db2.gz XWJFBQBMYASTJT-UHFFFAOYSA-N -1 1 350.216 2.618 20 10 FFCDMM CC[C@H](CO)NC(=O)c1ccc(NCc2cc(F)cc(F)c2[O-])cc1 ZINC000883142674 733342010 /nfs/dbraw/zinc/34/20/10/733342010.db2.gz QXBFGMKEVDMJGJ-CQSZACIVSA-N -1 1 350.365 2.783 20 10 FFCDMM CC(=O)NC1CCN(Cc2cc(Cl)cc(Br)c2[O-])CC1 ZINC000708210983 734362746 /nfs/dbraw/zinc/36/27/46/734362746.db2.gz JMPVRMRRICCMCL-UHFFFAOYSA-N -1 1 361.667 2.909 20 10 FFCDMM CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)NCc2cccc(Cl)c2[O-])C1 ZINC000893477953 734706298 /nfs/dbraw/zinc/70/62/98/734706298.db2.gz LQDIYJWNXIHCKZ-PSVOKBTDSA-N -1 1 358.891 2.925 20 10 FFCDMM COc1cc(Br)c(C=C2SC(=S)[N-]C2=O)c(OC)c1 ZINC000760806503 736669741 /nfs/dbraw/zinc/66/97/41/736669741.db2.gz JFKREKNMOQJJGA-BJMVGYQFSA-N -1 1 360.254 2.955 20 10 FFCDMM C[C@H](NC(=O)NCc1cccc(Br)c1[O-])[C@H]1CCCOC1 ZINC000764804444 737051464 /nfs/dbraw/zinc/05/14/64/737051464.db2.gz IECYKAFNQOPTCZ-JQWIXIFHSA-N -1 1 357.248 2.769 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])c1ccc(-n2ccnc2)nc1 ZINC000765733169 737150864 /nfs/dbraw/zinc/15/08/64/737150864.db2.gz UTYARMSINVNUPM-UHFFFAOYSA-N -1 1 373.210 2.665 20 10 FFCDMM COC(=O)c1ccc(C(=O)NCc2cccc(Br)c2[O-])cc1 ZINC000765751944 737153562 /nfs/dbraw/zinc/15/35/62/737153562.db2.gz VFFQYYZKRDRATL-UHFFFAOYSA-N -1 1 364.195 2.871 20 10 FFCDMM CCc1cc(C(=O)NCc2cccc(Br)c2[O-])cc(=O)[nH]1 ZINC000765765119 737155677 /nfs/dbraw/zinc/15/56/77/737155677.db2.gz NNRFDQVXYFXYTF-UHFFFAOYSA-N -1 1 351.200 2.748 20 10 FFCDMM CCCN(CC(=O)OC(C)(C)C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000775062598 738057800 /nfs/dbraw/zinc/05/78/00/738057800.db2.gz DELINJPGFQHPCX-UHFFFAOYSA-N -1 1 354.403 2.863 20 10 FFCDMM CCOc1cc(O)ccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1C ZINC000790411606 739449899 /nfs/dbraw/zinc/44/98/99/739449899.db2.gz LHAGPEUTUQWEFI-UHFFFAOYSA-N -1 1 351.380 2.598 20 10 FFCDMM CCc1cc(O)ccc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1F ZINC000790417818 739451479 /nfs/dbraw/zinc/45/14/79/739451479.db2.gz QADOAFHWWOYJFG-UHFFFAOYSA-N -1 1 353.371 2.901 20 10 FFCDMM O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1cccnc1F ZINC000807106734 741111131 /nfs/dbraw/zinc/11/11/31/741111131.db2.gz AHLDDNWAUODKBS-CQSZACIVSA-N -1 1 363.820 2.974 20 10 FFCDMM CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(Cl)c([O-])cc1F ZINC000808115707 741188297 /nfs/dbraw/zinc/18/82/97/741188297.db2.gz PCLCPAZWWTWEND-UHFFFAOYSA-N -1 1 361.826 2.844 20 10 FFCDMM Cc1nccc(CCC(=O)NCc2cccc(Br)c2[O-])n1 ZINC000816496443 742035122 /nfs/dbraw/zinc/03/51/22/742035122.db2.gz KLHNGLPZLMCNKJ-UHFFFAOYSA-N -1 1 350.216 2.502 20 10 FFCDMM Cc1cc(Br)c([O-])c(CN2CCS(=O)(=O)[C@H]3CCC[C@H]32)c1 ZINC000825203322 743228053 /nfs/dbraw/zinc/22/80/53/743228053.db2.gz ZUEYMFAUOCWNTB-KGLIPLIRSA-N -1 1 374.300 2.615 20 10 FFCDMM CCON1CCC(CC(=O)NCc2cccc(Br)c2[O-])CC1 ZINC000834476134 745846435 /nfs/dbraw/zinc/84/64/35/745846435.db2.gz OQCWASGCSUGHQY-UHFFFAOYSA-N -1 1 371.275 2.825 20 10 FFCDMM Cc1cc(C(=O)N2CCN(Cc3cc(Cl)c(F)cc3[O-])[C@H](C)C2)n[nH]1 ZINC000835072533 745945142 /nfs/dbraw/zinc/94/51/42/745945142.db2.gz CCZIEYOZPKQFRG-LLVKDONJSA-N -1 1 366.824 2.563 20 10 FFCDMM O=C([N-]O[C@H]1CCCCO1)Nc1c(-c2ccccn2)nc2ccccn21 ZINC000888588297 1013088789 /nfs/dbraw/zinc/08/87/89/1013088789.db2.gz ZQSSCEYTFCTMIS-HNNXBMFYSA-N -1 1 353.382 2.976 20 10 FFCDMM COc1ccc(N2CCN(Cc3cccc(C(=O)[O-])c3)CC2)c(OC)c1 ZINC000873645550 956088339 /nfs/dbraw/zinc/08/83/39/956088339.db2.gz ZAFNJLIVKPKVOH-UHFFFAOYSA-N -1 1 356.422 2.724 20 10 FFCDMM CC(C)Oc1cc(O)ccc1NS(=O)(=O)c1ccccc1C(=O)[O-] ZINC001591756803 975829235 /nfs/dbraw/zinc/82/92/35/975829235.db2.gz KWHJHKYMDZJPPY-UHFFFAOYSA-N -1 1 351.380 2.678 20 10 FFCDMM COC(=O)[C@@H]1[C@@H](c2ccccc2)OCCN1Cc1cc(F)c(F)cc1[O-] ZINC001142534803 982623582 /nfs/dbraw/zinc/62/35/82/982623582.db2.gz XLFMVFNNKKXDOQ-ZWKOTPCHSA-N -1 1 363.360 2.786 20 10 FFCDMM CC(C)N1CCc2c(c3ccccc3n2CC(=O)[N-]O[C@H]2CCCCO2)C1 ZINC000767793797 1000146001 /nfs/dbraw/zinc/14/60/01/1000146001.db2.gz DBJPWJMPCOQJFQ-NRFANRHFSA-N -1 1 371.481 2.982 20 10 FFCDMM C[C@H]1CCN(Cc2cc(=O)n3ncc(C(=O)[O-])c3[nH]2)[C@H]1c1cccc(F)c1 ZINC000846251870 1000245415 /nfs/dbraw/zinc/24/54/15/1000245415.db2.gz LSVSOJMRVWBRTK-APPDUMDISA-N -1 1 370.384 2.855 20 10 FFCDMM Cc1ccc2cccc(NC(=O)c3cc(NS(C)(=O)=O)ccc3[O-])c2n1 ZINC000769758567 1000589917 /nfs/dbraw/zinc/58/99/17/1000589917.db2.gz JZBIZLOVJQLRGN-UHFFFAOYSA-N -1 1 371.418 2.873 20 10 FFCDMM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1c(F)ccc(O)c1[O-] ZINC000789944214 1002235824 /nfs/dbraw/zinc/23/58/24/1002235824.db2.gz NIYMITOPKWYZSO-UHFFFAOYSA-N -1 1 355.369 2.969 20 10 FFCDMM CC(C)(C)OC(=O)NC1CCC(NC(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000789981559 1002244938 /nfs/dbraw/zinc/24/49/38/1002244938.db2.gz QTHSCWJPGSJFNT-UHFFFAOYSA-N -1 1 368.405 2.803 20 10 FFCDMM CCOC(OCC)c1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(C)n1 ZINC001170316469 1003105898 /nfs/dbraw/zinc/10/58/98/1003105898.db2.gz SKCKAHLTMVTMCK-UHFFFAOYSA-N -1 1 361.398 2.563 20 10 FFCDMM COC(=O)c1cc(NCC(=O)c2ccc([O-])c(O)c2)nc(C(C)(C)C)c1 ZINC001170316609 1003106300 /nfs/dbraw/zinc/10/63/00/1003106300.db2.gz TZQYDWDMYOYHIW-UHFFFAOYSA-N -1 1 358.394 2.872 20 10 FFCDMM O=C(CNc1cc(Cl)nc(-c2cccnc2)n1)c1ccc([O-])c(O)c1 ZINC001170315645 1003106892 /nfs/dbraw/zinc/10/68/92/1003106892.db2.gz DZGBXCLUCGYTOH-UHFFFAOYSA-N -1 1 356.769 2.898 20 10 FFCDMM O=S(=O)(Nc1c(F)cc([O-])cc1F)c1c(Cl)nc2sccn21 ZINC001187140488 1003582316 /nfs/dbraw/zinc/58/23/16/1003582316.db2.gz RMBQYJMUJMIBMV-UHFFFAOYSA-N -1 1 365.770 2.834 20 10 FFCDMM O=C(CNC(=O)c1ccnc(Oc2ccccc2)c1)c1ccc([O-])c(O)c1 ZINC001191806067 1003962355 /nfs/dbraw/zinc/96/23/55/1003962355.db2.gz QMNPSPUDMIDCQQ-UHFFFAOYSA-N -1 1 364.357 2.898 20 10 FFCDMM CCOc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(O)cc1F ZINC001197895418 1004400985 /nfs/dbraw/zinc/40/09/85/1004400985.db2.gz CZRKNKSCIWJCEI-UHFFFAOYSA-N -1 1 368.386 2.689 20 10 FFCDMM O=C(Cc1nc(NC(=O)c2ccc(O)c([O-])c2Cl)n[nH]1)c1ccccc1 ZINC001193220904 1004407622 /nfs/dbraw/zinc/40/76/22/1004407622.db2.gz ZLPVFZPSKZRJAE-UHFFFAOYSA-N -1 1 372.768 2.547 20 10 FFCDMM CCOC(=O)C[C@H]1CCN(C(=O)c2ccc(O)c([O-])c2Cl)C[C@H]1C ZINC001193232429 1004412006 /nfs/dbraw/zinc/41/20/06/1004412006.db2.gz JBYXKTIRPOMIAJ-GHMZBOCLSA-N -1 1 355.818 2.803 20 10 FFCDMM COC(=O)CCN(Cc1ccco1)C(=O)c1ccc(O)c([O-])c1Cl ZINC001193225381 1004428775 /nfs/dbraw/zinc/42/87/75/1004428775.db2.gz LXVFYRGPKVCKCB-UHFFFAOYSA-N -1 1 353.758 2.550 20 10 FFCDMM COC(=O)CCCS(=O)(=O)[N-]c1cccc2c1C(=O)c1ccccc1-2 ZINC001201914937 1005287777 /nfs/dbraw/zinc/28/77/77/1005287777.db2.gz CWXNRSDCMFPORP-UHFFFAOYSA-N -1 1 359.403 2.593 20 10 FFCDMM O=S(=O)([N-]Cc1ccc(N2CCOCC2)cc1)c1cc2ccccc2o1 ZINC000134032511 1007327776 /nfs/dbraw/zinc/32/77/76/1007327776.db2.gz BXESSAOTKZOOFS-UHFFFAOYSA-N -1 1 372.446 2.748 20 10 FFCDMM COc1ccc(C)cc1CN1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000823747980 1009211576 /nfs/dbraw/zinc/21/15/76/1009211576.db2.gz PHBIBYXQJSFJRJ-UHFFFAOYSA-N -1 1 374.412 2.512 20 10 FFCDMM CS(=O)(=O)Nc1ccc([O-])c(C(=O)Nc2nc(-c3ccccc3)co2)c1 ZINC000774243741 1010538171 /nfs/dbraw/zinc/53/81/71/1010538171.db2.gz GMXCTFBOCKDPBH-UHFFFAOYSA-N -1 1 373.390 2.671 20 10 FFCDMM Cc1cn(-c2ccc(F)cc2)nc1C(=O)OCC(=O)c1ccc([O-])c(O)c1 ZINC000801450443 1019003606 /nfs/dbraw/zinc/00/36/06/1019003606.db2.gz XRHUBKMEWUNGCH-UHFFFAOYSA-N -1 1 370.336 2.771 20 10 FFCDMM O=S(=O)([N-]Cc1ccccc1O)c1c(F)cccc1Br ZINC001116357297 1021177856 /nfs/dbraw/zinc/17/78/56/1021177856.db2.gz PWKGUUAWDKVKNM-UHFFFAOYSA-N -1 1 360.204 2.772 20 10 FFCDMM CC(C)(C)OC(=O)N1CC[C@@H]2OCCN(Cc3c([O-])cccc3F)[C@H]2C1 ZINC001137832793 1033165883 /nfs/dbraw/zinc/16/58/83/1033165883.db2.gz HWMZSQRDINCMSC-RDJZCZTQSA-N -1 1 366.433 2.742 20 10 FFCDMM Cn1ncc2c1CN(Cc1c([O-])cccc1F)C[C@H]2COc1cccnc1 ZINC001137834735 1033169250 /nfs/dbraw/zinc/16/92/50/1033169250.db2.gz RELAAPUDQQILOP-AWEZNQCLSA-N -1 1 368.412 2.838 20 10 FFCDMM CCN(CC)c1ccnc([C@@H]2COCCN2Cc2c([O-])cccc2F)n1 ZINC001137836086 1033176513 /nfs/dbraw/zinc/17/65/13/1033176513.db2.gz VFWFHARNWHJYGW-INIZCTEOSA-N -1 1 360.433 2.741 20 10 FFCDMM COc1cc(C(F)(F)NCC(=O)c2ccc([O-])c(O)c2)cc(Cl)n1 ZINC001159271584 1027330446 /nfs/dbraw/zinc/33/04/46/1027330446.db2.gz CDKMDZUBPXGFQS-UHFFFAOYSA-N -1 1 358.728 2.677 20 10 FFCDMM COc1cc2ccnc(NCC(=O)c3ccc([O-])c(O)c3)c2cc1OC ZINC001159279175 1027334573 /nfs/dbraw/zinc/33/45/73/1027334573.db2.gz KHRWWAXVSJYVJG-UHFFFAOYSA-N -1 1 354.362 2.958 20 10 FFCDMM C[C@H]1C[C@H]1C(=O)Nc1ccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)cc1 ZINC000782784172 1029819019 /nfs/dbraw/zinc/81/90/19/1029819019.db2.gz SRUGSKDRRAKWPQ-XHDPSFHLSA-N -1 1 369.373 2.732 20 10 FFCDMM C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)OCC(=O)c2ccc([O-])c(O)c2)c1 ZINC000782784141 1029819207 /nfs/dbraw/zinc/81/92/07/1029819207.db2.gz SHHXLXQSKOELIL-NHYWBVRUSA-N -1 1 369.373 2.732 20 10 FFCDMM O=C(COc1ccc2c(c1)CCCC2)OCC(=O)c1ccc([O-])c(O)c1 ZINC000784195832 1030505417 /nfs/dbraw/zinc/50/54/17/1030505417.db2.gz SDQHDOMIJGMTAH-UHFFFAOYSA-N -1 1 356.374 2.782 20 10 FFCDMM CCOC[C@@H]1CN(Cc2cccc(F)c2[O-])Cc2nnn(CC3CC3)c21 ZINC001138123906 1033800951 /nfs/dbraw/zinc/80/09/51/1033800951.db2.gz RAXSFCFAIHHBGX-HNNXBMFYSA-N -1 1 360.433 2.669 20 10 FFCDMM COC[C@H]1Cn2nccc2C[N@H+](Cc2c(O)cccc2Br)C1 ZINC001140100813 1035341897 /nfs/dbraw/zinc/34/18/97/1035341897.db2.gz CWBXOFMQODRIFQ-GFCCVEGCSA-N -1 1 366.259 2.630 20 10 FFCDMM CC(=O)[C@@H](C)N1C[C@]2(CC1=O)CCCCN2Cc1cccc(Cl)c1[O-] ZINC001277232576 1035681315 /nfs/dbraw/zinc/68/13/15/1035681315.db2.gz URTREGWOAZVURX-BFUOFWGJSA-N -1 1 364.873 2.980 20 10 FFCDMM CCN1CC(Oc2cc([O-])cc3c2C(=O)C[C@@H](c2ccc(O)c(O)c2)O3)C1 ZINC001228185006 1035978942 /nfs/dbraw/zinc/97/89/42/1035978942.db2.gz BKPSFVRBLLBFCP-KRWDZBQOSA-N -1 1 371.389 2.593 20 10 FFCDMM O=C1C[C@@H](c2ccc(O)c(O)c2)Oc2cc([O-])cc(OC[C@@H]3CCO3)c21 ZINC001228193735 1035984674 /nfs/dbraw/zinc/98/46/74/1035984674.db2.gz MLJWUTVGXZEXIF-LRDDRELGSA-N -1 1 358.346 2.678 20 10 FFCDMM CO[C@H](C)COc1cc([O-])cc2c1C(=O)C[C@H](c1ccc(O)c(O)c1)O2 ZINC001228194351 1035985519 /nfs/dbraw/zinc/98/55/19/1035985519.db2.gz PVTPEQBBFFKNRC-QLJPJBMISA-N -1 1 360.362 2.924 20 10 FFCDMM CN1CC[C@H](Oc2c(=O)c3ccc([O-])cc3oc2-c2ccc(O)c(O)c2)C1 ZINC001228365484 1036073151 /nfs/dbraw/zinc/07/31/51/1036073151.db2.gz MKPPCLZWTOHJFN-ZDUSSCGKSA-N -1 1 369.373 2.660 20 10 FFCDMM O=C1CCCN1C1CCN(Cc2c([O-])cc(Br)cc2F)CC1 ZINC001233029809 1036265908 /nfs/dbraw/zinc/26/59/08/1036265908.db2.gz IVBZULMYYGJKNI-UHFFFAOYSA-N -1 1 371.250 2.881 20 10 FFCDMM COC[C@H]1CN(C(=O)OC(C)(C)C)CCN1Cc1c([O-])ccc(F)c1F ZINC001233332317 1036538692 /nfs/dbraw/zinc/53/86/92/1036538692.db2.gz GZTAQUSWPYJTCA-GFCCVEGCSA-N -1 1 372.412 2.738 20 10 FFCDMM O=C(c1cc(O)c([O-])c(O)c1)c1ccc(O)c(O)c1O[C@@H]1C[C@H]2C[C@H]2C1 ZINC001229786002 1036893366 /nfs/dbraw/zinc/89/33/66/1036893366.db2.gz LFTRDQBPDUNBJK-DOFRTFSJSA-N -1 1 358.346 2.623 20 10 FFCDMM CC(C)(C)OC(=O)N1C[C@@H]2[C@@H]1CCCN2Cc1ccc(C(=O)[O-])cc1O ZINC001231450483 1037588103 /nfs/dbraw/zinc/58/81/03/1037588103.db2.gz RVZLGSJHYLTCEW-LSDHHAIUSA-N -1 1 362.426 2.674 20 10 FFCDMM CO[C@H](CN1CCN(Cc2cc(C(=O)[O-])ccc2O)CC1)c1ccccc1 ZINC001231566336 1037691967 /nfs/dbraw/zinc/69/19/67/1037691967.db2.gz YKYFJPJFYBEJCW-HXUWFJFHSA-N -1 1 370.449 2.596 20 10 FFCDMM O=S(=O)([N-]c1ccc(CO)cc1Cl)c1ccc(Cl)c2nonc21 ZINC001261072091 1040978555 /nfs/dbraw/zinc/97/85/55/1040978555.db2.gz DXTNTVOTOWZSNH-UHFFFAOYSA-N -1 1 374.205 2.823 20 10 FFCDMM [O-]c1cc(Cl)c(F)cc1CN1CCc2onc(Cn3cccn3)c2C1 ZINC001237938160 1043444543 /nfs/dbraw/zinc/44/45/43/1043444543.db2.gz UYQBETJSKRHNPJ-UHFFFAOYSA-N -1 1 362.792 2.976 20 10 FFCDMM CCN(C(=O)[C@H]1CCC2(CN(Cc3c([O-])cccc3F)C2)O1)C(C)C ZINC001280007695 1044081219 /nfs/dbraw/zinc/08/12/19/1044081219.db2.gz GICBCSULUOWATM-QGZVFWFLSA-N -1 1 350.434 2.522 20 10 FFCDMM Cc1oc(-c2cnn(C)c2)nc1C(=O)[N-]c1c2nonc2ccc1Cl ZINC001327166079 1047218100 /nfs/dbraw/zinc/21/81/00/1047218100.db2.gz DZZDHVANGLJIQX-UHFFFAOYSA-N -1 1 358.745 2.825 20 10 FFCDMM C[C@H](NC(=O)c1c([O-])c(O)ccc1F)c1ccncc1Br ZINC001306891366 1052213807 /nfs/dbraw/zinc/21/38/07/1052213807.db2.gz BAXJNQRDDPVCFY-ZETCQYMHSA-N -1 1 355.163 2.885 20 10 FFCDMM CC[C@H](C)n1ncc(NC(=O)C(=O)NCc2cccc(Cl)c2[O-])c1C ZINC001337952751 1055123117 /nfs/dbraw/zinc/12/31/17/1055123117.db2.gz ZOXWQBBTGIGUKE-JTQLQIEISA-N -1 1 364.833 2.776 20 10 FFCDMM Cc1cccc(S(=O)(=O)[N-]c2cccc(N3CCN(C)CC3)c2)c1F ZINC001200782434 1059485444 /nfs/dbraw/zinc/48/54/44/1059485444.db2.gz IAEVVNQHCBZUAL-UHFFFAOYSA-N -1 1 363.458 2.687 20 10 FFCDMM CCn1ncc(Br)c1C(=O)NCc1cccc(Cl)c1[O-] ZINC001457034567 1060258770 /nfs/dbraw/zinc/25/87/70/1060258770.db2.gz IATVRNHOKCKYRM-UHFFFAOYSA-N -1 1 358.623 2.955 20 10 FFCDMM Nc1nc(NCc2cccc(Br)c2[O-])nc(C(F)(F)F)n1 ZINC001458363326 1060575180 /nfs/dbraw/zinc/57/51/80/1060575180.db2.gz HLNLIKOJXHABST-UHFFFAOYSA-N -1 1 364.125 2.553 20 10 FFCDMM COc1cc(CC(=O)NCc2cccc(Br)c2[O-])ccc1O ZINC001556481550 1075745647 /nfs/dbraw/zinc/74/56/47/1075745647.db2.gz WLXWOIHVMOTDGA-UHFFFAOYSA-N -1 1 366.211 2.728 20 10 FFCDMM CN(Cc1ccc(N2CCCC2)cc1)C(=O)c1c[n-]c(=O)c([N+](=O)[O-])c1 ZINC001587551763 1079813174 /nfs/dbraw/zinc/81/31/74/1079813174.db2.gz CHCLWNYHNQACKU-UHFFFAOYSA-N -1 1 356.382 2.568 20 10 FFCDMM CCN(Cc1c(C(=O)[O-])cnn1C)Cc1cc(Br)ccc1O ZINC001589736154 1080693765 /nfs/dbraw/zinc/69/37/65/1080693765.db2.gz IYWJXLAGBVJUQB-UHFFFAOYSA-N -1 1 368.231 2.609 20 10 FFCDMM O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1c(F)ccc(O)c1[O-] ZINC000276506750 510940699 /nfs/dbraw/zinc/94/06/99/510940699.db2.gz APROQRIUQRVSJM-UHFFFAOYSA-N -1 1 363.360 2.854 20 10 FFCDMM O=C(NCc1cccc(Br)c1[O-])N[C@H]1CCO[C@@H](C2CC2)C1 ZINC000277414036 510962423 /nfs/dbraw/zinc/96/24/23/510962423.db2.gz KQFGYBIOXCLCGA-GXTWGEPZSA-N -1 1 369.259 2.912 20 10 FFCDMM COC(=O)[C@H]1CCC[C@@H](C(=O)NCc2cccc(Br)c2[O-])C1 ZINC000277605817 510967254 /nfs/dbraw/zinc/96/72/54/510967254.db2.gz USUPNYDSPFHOSY-MNOVXSKESA-N -1 1 370.243 2.750 20 10 FFCDMM COCCO[C@H]1C[C@H](CO)CN(Cc2cc(Cl)cc(Cl)c2[O-])C1 ZINC000278750713 511006720 /nfs/dbraw/zinc/00/67/20/511006720.db2.gz SDXWIMXZGJCXSU-FZMZJTMJSA-N -1 1 364.269 2.545 20 10 FFCDMM COc1c([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](O)c2ccco2)ccc1[N+](=O)[O-] ZINC000278886424 511012287 /nfs/dbraw/zinc/01/22/87/511012287.db2.gz OZNOXZKRQUNOCZ-HIFRSBDPSA-N -1 1 362.382 2.990 20 10 FFCDMM C[C@H]1COCC[C@H]1CNC(=O)NCc1cccc(Br)c1[O-] ZINC000286690033 511029820 /nfs/dbraw/zinc/02/98/20/511029820.db2.gz CXUKZCUKZBLYDR-QWRGUYRKSA-N -1 1 357.248 2.627 20 10 FFCDMM CC(C)S(=O)(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1[O-] ZINC000290249380 511132543 /nfs/dbraw/zinc/13/25/43/511132543.db2.gz JTOZRVSRNBPKKM-SNVBAGLBSA-N -1 1 350.278 2.629 20 10 FFCDMM CCCCCC(=O)NC1CCN(C(=O)c2c(F)ccc(O)c2[O-])CC1 ZINC000295034250 511258584 /nfs/dbraw/zinc/25/85/84/511258584.db2.gz IOWPIFCQIOUYEF-UHFFFAOYSA-N -1 1 352.406 2.538 20 10 FFCDMM Cc1cccc(CC2(O)CCN(C(=O)c3c(F)ccc(O)c3[O-])CC2)c1 ZINC000295221939 511327809 /nfs/dbraw/zinc/32/78/09/511327809.db2.gz VTUJIBBWUXXWND-UHFFFAOYSA-N -1 1 359.397 2.755 20 10 FFCDMM C[C@@H]1CN(Cc2cc(Cl)cc([N+](=O)[O-])c2[O-])CC2(CCOCC2)O1 ZINC000280382492 511445034 /nfs/dbraw/zinc/44/50/34/511445034.db2.gz FNMLGAZPONQTCZ-LLVKDONJSA-N -1 1 356.806 2.724 20 10 FFCDMM COC(=O)c1ccc(C[N@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000737695848 600144145 /nfs/dbraw/zinc/14/41/45/600144145.db2.gz JLTXDARTHJJDDB-UHFFFAOYSA-N -1 1 363.797 2.919 20 10 FFCDMM COC(=O)c1ccc(C[N@@H+](CC(=O)[O-])Cc2cc(Cl)ccc2[O-])cc1 ZINC000737695848 600144146 /nfs/dbraw/zinc/14/41/46/600144146.db2.gz JLTXDARTHJJDDB-UHFFFAOYSA-N -1 1 363.797 2.919 20 10 FFCDMM CC(C)C(=O)N1CCN(Cc2c(O)c(C(=O)[O-])cc3ccccc32)CC1 ZINC000736346084 600412903 /nfs/dbraw/zinc/41/29/03/600412903.db2.gz ZPBFPDBPIUFAQE-UHFFFAOYSA-N -1 1 356.422 2.544 20 10 FFCDMM O=[N+]([O-])c1ccc(NCCCSc2nccs2)cc1-c1nnn[n-]1 ZINC000826498575 607452471 /nfs/dbraw/zinc/45/24/71/607452471.db2.gz BBXPNYATXDYORV-UHFFFAOYSA-N -1 1 363.428 2.826 20 10 FFCDMM O=[N+]([O-])c1ccc(NCCCSc2nccs2)cc1-c1nn[n-]n1 ZINC000826498575 607452472 /nfs/dbraw/zinc/45/24/72/607452472.db2.gz BBXPNYATXDYORV-UHFFFAOYSA-N -1 1 363.428 2.826 20 10 FFCDMM