smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])CCC(=O)N1C[C@@H](F)[C@@H](OCc2nc3ccc(C(F)(F)F)cc3[nH]2)C1 ZINC000096112054 291229438 /nfs/dbraw/zinc/22/94/38/291229438.db2.gz NFKIQIJOKYBQPI-MFKMUULPSA-N -1 1 403.332 2.512 40 0 biogenic,in-vitro HFABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388598 521902096 /nfs/dbraw/zinc/90/20/96/521902096.db2.gz XQXLQOPTOBLMDA-IJEWVQPXSA-N -1 1 423.517 2.879 40 0 HFABMM COc1ccc(C)cc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399232 523840284 /nfs/dbraw/zinc/84/02/84/523840284.db2.gz ZELHMVMHRPRANM-AWEZNQCLSA-N -1 1 419.441 2.895 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000040390365 524431577 /nfs/dbraw/zinc/43/15/77/524431577.db2.gz YHFAZMJRHXMLJW-GOEBONIOSA-N -1 1 409.490 2.830 40 0 HFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000040399799 524719930 /nfs/dbraw/zinc/71/99/30/524719930.db2.gz ROQYVLJLIDJVBQ-MRXNPFEDSA-N -1 1 419.441 2.895 40 0 HFABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCC3)cc2)c1 ZINC000408586864 557493228 /nfs/dbraw/zinc/49/32/28/557493228.db2.gz CNAACLIOGIWBJK-UHFFFAOYSA-N -1 1 404.488 2.934 40 0 HFABMM CSc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)c1 ZINC000408621489 557546548 /nfs/dbraw/zinc/54/65/48/557546548.db2.gz LKDBCODNOZQCIR-UHFFFAOYSA-N -1 1 406.529 2.990 40 0 HFABMM O=S(=O)([N-]c1cccnc1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000020456141 558369690 /nfs/dbraw/zinc/36/96/90/558369690.db2.gz WCHJWPZMBFDQET-UHFFFAOYSA-N -1 1 407.448 2.822 40 0 HFABMM COCc1nc(N2CCN(c3cccc(OC)c3)CC2)[n-]c(=O)c1CCC(C)C ZINC000022448891 558490235 /nfs/dbraw/zinc/49/02/35/558490235.db2.gz BVTSHRDYQYDFRA-UHFFFAOYSA-N -1 1 400.523 2.840 40 0 HFABMM CCOc1ccc(Nc2nc(-c3cnc(N4CCOCC4)nc3C)cc(=O)[n-]2)cc1 ZINC000022607763 558500945 /nfs/dbraw/zinc/50/09/45/558500945.db2.gz KPAPHTAEAUDBCZ-UHFFFAOYSA-N -1 1 408.462 2.514 40 0 HFABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC)c2)cc1 ZINC000013682154 558567316 /nfs/dbraw/zinc/56/73/16/558567316.db2.gz KWYHDBSEWZMYKU-UHFFFAOYSA-N -1 1 420.487 2.813 40 0 HFABMM Cc1cccc(C)c1OCC(=O)N1CC[C@@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019236028 558855141 /nfs/dbraw/zinc/85/51/41/558855141.db2.gz ZZDBRMXXJJKEKJ-QGZVFWFLSA-N -1 1 404.470 2.844 40 0 HFABMM CC(C)[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445581 558885700 /nfs/dbraw/zinc/88/57/00/558885700.db2.gz SJQMNKUBFLNYCW-QFIPXVFZSA-N -1 1 420.469 2.659 40 0 HFABMM CCOc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019532792 558912857 /nfs/dbraw/zinc/91/28/57/558912857.db2.gz XLVXDMOGCOEERD-QGZVFWFLSA-N -1 1 404.470 2.789 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388972 558947897 /nfs/dbraw/zinc/94/78/97/558947897.db2.gz UWSCUIVHGPZPHJ-DZGCQCFKSA-N -1 1 409.490 2.688 40 0 HFABMM Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2ccc(F)cc2)CC4=O)n1 ZINC000013639683 560826203 /nfs/dbraw/zinc/82/62/03/560826203.db2.gz UFVRAYQAPZTRDI-LBPRGKRZSA-N -1 1 405.389 2.570 40 0 HFABMM COc1cc(CNn2cn[n-]c2=S)ccc1OCc1nnnn1-c1ccc(C)cc1 ZINC000022111436 568475690 /nfs/dbraw/zinc/47/56/90/568475690.db2.gz MNPGZYLLCAGYFT-UHFFFAOYSA-N -1 1 424.490 2.556 40 0 HFABMM COc1ccc([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCOCC3)c2)cc1 ZINC000026117044 568541635 /nfs/dbraw/zinc/54/16/35/568541635.db2.gz GVGAXRLDGRZNHI-UHFFFAOYSA-N -1 1 422.528 2.690 40 0 HFABMM CCN1CCN(c2ccc(C(=O)OC)cc2S(=O)(=O)[N-]c2ccc(C)cc2)CC1 ZINC000223413168 568547975 /nfs/dbraw/zinc/54/79/75/568547975.db2.gz KTMDIKFVEUGEAU-UHFFFAOYSA-N -1 1 417.531 2.724 40 0 HFABMM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(=O)OCC)c2C)ccc1OC ZINC000223784955 568559044 /nfs/dbraw/zinc/55/90/44/568559044.db2.gz AWSURXFZNDEGJT-UHFFFAOYSA-N -1 1 420.487 2.731 40 0 HFABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(OC)c2)cc1 ZINC000223990886 568565481 /nfs/dbraw/zinc/56/54/81/568565481.db2.gz YLAXTKHRBVXTQN-UHFFFAOYSA-N -1 1 422.503 2.661 40 0 HFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 ZINC000257289741 568801382 /nfs/dbraw/zinc/80/13/82/568801382.db2.gz PZZJOKLQTSPSOR-LJQANCHMSA-N -1 1 424.432 2.599 40 0 HFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040390547 523031431 /nfs/dbraw/zinc/03/14/31/523031431.db2.gz MARWDCIELBFVHS-GJZGRUSLSA-N -1 1 409.490 2.912 40 0 HFABMM O=C(NCc1ccccc1)[C@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399288 526735877 /nfs/dbraw/zinc/73/58/77/526735877.db2.gz LHHRSZRYBHPARS-HNNXBMFYSA-N -1 1 423.860 2.909 40 0 HFABMM O=C([O-])/C=C/c1cc(I)c(O)c(I)c1 ZINC000043160282 527544804 /nfs/dbraw/zinc/54/48/04/527544804.db2.gz WTIKMBSLXNHSGL-OWOJBTEDSA-N -1 1 415.952 2.699 40 0 HFABMM COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)c1ccc(Cl)c(Cl)c1 ZINC000000634401 557028933 /nfs/dbraw/zinc/02/89/33/557028933.db2.gz KUGUEPDGDAOFTF-UHFFFAOYSA-N -1 1 401.227 2.876 40 0 HFABMM COC(=O)c1nc(=S)[n-]c(C(=O)OC)c1C(=O)c1cc(Cl)ccc1Cl ZINC000001587992 557274384 /nfs/dbraw/zinc/27/43/84/557274384.db2.gz VEKBFXOHNXRONZ-UHFFFAOYSA-N -1 1 401.227 2.876 40 0 HFABMM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1 ZINC000408534449 557321385 /nfs/dbraw/zinc/32/13/85/557321385.db2.gz VPZBCNAFIZKSCL-UHFFFAOYSA-N -1 1 414.531 2.977 40 0 HFABMM COCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)ccc1C ZINC000408627172 557560221 /nfs/dbraw/zinc/56/02/21/557560221.db2.gz YFDQLPGNHYFACS-UHFFFAOYSA-N -1 1 412.895 2.834 40 0 HFABMM C[C@@H](Oc1ccccc1F)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012219675 558355015 /nfs/dbraw/zinc/35/50/15/558355015.db2.gz MMXZXZCJTPNZJB-CQSZACIVSA-N -1 1 423.448 2.952 40 0 HFABMM Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](c2ccccc2C)CC4=O)n1 ZINC000013611314 558548479 /nfs/dbraw/zinc/54/84/79/558548479.db2.gz STURNQSZHNYKOF-ZDUSSCGKSA-N -1 1 401.426 2.739 40 0 HFABMM COc1ccccc1NC(=O)[C@H]1[C@@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000036556756 558800029 /nfs/dbraw/zinc/80/00/29/558800029.db2.gz LNGXDEQYOTWJKC-KPLVRAHFSA-N -1 1 409.442 2.523 40 0 HFABMM Cc1ccc(O[C@@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019210786 558848320 /nfs/dbraw/zinc/84/83/20/558848320.db2.gz HMOVZALOICYRHC-DLBZAZTESA-N -1 1 404.470 2.924 40 0 HFABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21 ZINC000040388895 558947227 /nfs/dbraw/zinc/94/72/27/558947227.db2.gz GDLMZBDZILZYSW-DZGCQCFKSA-N -1 1 409.490 2.633 40 0 HFABMM C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1C[C@H]1OC(=O)C=C12 ZINC000118936506 559206755 /nfs/dbraw/zinc/20/67/55/559206755.db2.gz VZDKYIUFBGYSPG-WLCSKYDNSA-N -1 1 424.515 2.858 40 0 HFABMM COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc([O-])c(Cl)c2)C1=O ZINC000409234589 560700993 /nfs/dbraw/zinc/70/09/93/560700993.db2.gz NZBUQOQLVGKZDI-NTEUORMPSA-N -1 1 401.806 2.586 40 0 HFABMM Cc1cccc([C@@H]2CC(=O)c3c[nH]c4nn(-c5nc(C)cc(=O)[n-]5)c(=O)c-4c3C2)c1 ZINC000013639687 560826218 /nfs/dbraw/zinc/82/62/18/560826218.db2.gz MMURFOJBKABAMT-AWEZNQCLSA-N -1 1 401.426 2.739 40 0 HFABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1C ZINC000225087534 568613495 /nfs/dbraw/zinc/61/34/95/568613495.db2.gz XVIHDPHYPXOMCV-UHFFFAOYSA-N -1 1 416.455 2.626 40 0 HFABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(C(=O)OC)c3C)ccc21 ZINC000225581694 568653955 /nfs/dbraw/zinc/65/39/55/568653955.db2.gz JMCFESAHXBJRNS-UHFFFAOYSA-N -1 1 402.472 2.882 40 0 HFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000139107116 569354336 /nfs/dbraw/zinc/35/43/36/569354336.db2.gz BGPGDASDUQUHRJ-HZPDHXFCSA-N -1 1 409.490 2.912 40 0 HFABMM CC(=O)c1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399186 518377703 /nfs/dbraw/zinc/37/77/03/518377703.db2.gz NVBKYZAENFXXLC-INIZCTEOSA-N -1 1 417.425 2.781 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388661 524435018 /nfs/dbraw/zinc/43/50/18/524435018.db2.gz XWWYXCLKWNGGRK-UXLLHSPISA-N -1 1 423.517 2.934 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388738 525219678 /nfs/dbraw/zinc/21/96/78/525219678.db2.gz WJUWKRBZFYJTDT-LZWOXQAQSA-N -1 1 423.517 2.934 40 0 HFABMM C[C@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C(=O)N1CCOCC1 ZINC000408587363 557490597 /nfs/dbraw/zinc/49/05/97/557490597.db2.gz BPPGVDNXSFRRKN-AWEZNQCLSA-N -1 1 424.906 2.767 40 0 HFABMM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Br)c(C)c2)ccc1OC ZINC000010008803 557853024 /nfs/dbraw/zinc/85/30/24/557853024.db2.gz FPTZALKKKYXHHC-UHFFFAOYSA-N -1 1 413.293 2.927 40 0 HFABMM O=C(Nc1cccc2ccccc21)[C@H]1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000019961250 558315850 /nfs/dbraw/zinc/31/58/50/558315850.db2.gz SZYZDXSFLRIYFU-HNNXBMFYSA-N -1 1 403.442 2.588 40 0 HFABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610059 558501435 /nfs/dbraw/zinc/50/14/35/558501435.db2.gz LEYQKUPKCFDIHC-INIZCTEOSA-N -1 1 409.490 2.633 40 0 HFABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)c1 ZINC000038556535 558813170 /nfs/dbraw/zinc/81/31/70/558813170.db2.gz CZLYTELHLBEUNL-AWEZNQCLSA-N -1 1 419.503 2.738 40 0 HFABMM Cc1cccc(C)c1OCC(=O)N1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019236029 558855126 /nfs/dbraw/zinc/85/51/26/558855126.db2.gz ZZDBRMXXJJKEKJ-KRWDZBQOSA-N -1 1 404.470 2.844 40 0 HFABMM CCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2 ZINC000019498788 558897013 /nfs/dbraw/zinc/89/70/13/558897013.db2.gz SMNJHHJXGVENAZ-SFHVURJKSA-N -1 1 400.523 2.699 40 0 HFABMM COc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1C ZINC000019571025 558929734 /nfs/dbraw/zinc/92/97/34/558929734.db2.gz MRFXENBENXTQEF-KRWDZBQOSA-N -1 1 404.470 2.708 40 0 HFABMM O=S(=O)([N-]C[C@@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(F)ccc1F ZINC000585111490 559030415 /nfs/dbraw/zinc/03/04/15/559030415.db2.gz BSUZOOLSAJANKO-SFHVURJKSA-N -1 1 419.453 2.802 40 0 HFABMM Cc1cccc([C@H]2CC(=O)c3c[nH]c4nn(-c5nc(C)cc(=O)[n-]5)c(=O)c-4c3C2)c1 ZINC000013639689 560826184 /nfs/dbraw/zinc/82/61/84/560826184.db2.gz MMURFOJBKABAMT-CQSZACIVSA-N -1 1 401.426 2.739 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(OC(C)C)c2)cc1N1C(=O)CCC1=O ZINC000223825176 568560004 /nfs/dbraw/zinc/56/00/04/568560004.db2.gz URBYYKMWVLYSNF-UHFFFAOYSA-N -1 1 418.471 2.937 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1C ZINC000225551750 568650358 /nfs/dbraw/zinc/65/03/58/568650358.db2.gz OQLRMLDIIHDJDM-UHFFFAOYSA-N -1 1 424.544 2.897 40 0 HFABMM Cc1nnc([N-]c2cccc([C@H]3CN(CC(=O)N4CCC(C)CC4)CCO3)n2)s1 ZINC000257316044 568808995 /nfs/dbraw/zinc/80/89/95/568808995.db2.gz VDWQLSRBQBXGTO-QGZVFWFLSA-N -1 1 416.551 2.617 40 0 HFABMM CC[C@H](C)Nc1nc(C(F)(F)F)cc(=NNc2ccc(S(=O)(=O)[O-])cc2)[nH]1 ZINC000329052553 571309500 /nfs/dbraw/zinc/30/95/00/571309500.db2.gz VCHFFUOAVYXJTK-VIFPVBQESA-N -1 1 405.402 3.392 40 0 HFABMM CCOc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399182 521547916 /nfs/dbraw/zinc/54/79/16/521547916.db2.gz IDABMMSXIDRHER-AWEZNQCLSA-N -1 1 419.441 2.977 40 0 HFABMM Cc1ccc(OCCCC(=O)N2CCc3c(nc(-c4cnccn4)[n-]c3=O)C2)c(C)c1 ZINC000012258315 558363153 /nfs/dbraw/zinc/36/31/53/558363153.db2.gz PORFFWRHPUWICD-UHFFFAOYSA-N -1 1 419.485 3.000 40 0 HFABMM Cc1ccc(O[C@@H](C)C(=O)N2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)c(C)c1 ZINC000013226945 558526675 /nfs/dbraw/zinc/52/66/75/558526675.db2.gz WUAYSKHGPGCGMU-HNNXBMFYSA-N -1 1 405.458 2.608 40 0 HFABMM Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2ccccc2C)CC4=O)n1 ZINC000013611317 558548519 /nfs/dbraw/zinc/54/85/19/558548519.db2.gz STURNQSZHNYKOF-CYBMUJFWSA-N -1 1 401.426 2.739 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828364 558815785 /nfs/dbraw/zinc/81/57/85/558815785.db2.gz JMCYZXCSIDKDDH-LZWOXQAQSA-N -1 1 409.490 2.910 40 0 HFABMM Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)c1 ZINC000019234418 558853736 /nfs/dbraw/zinc/85/37/36/558853736.db2.gz OWUNFBVEVDOXMO-HXUWFJFHSA-N -1 1 420.513 2.740 40 0 HFABMM COc1cccc(-c2ccc(NC(=O)CCc3c(C)nc4[n-]cnn4c3=O)cc2)c1 ZINC000019666086 558956082 /nfs/dbraw/zinc/95/60/82/558956082.db2.gz KXKDEZXNRYQDPE-UHFFFAOYSA-N -1 1 403.442 2.973 40 0 HFABMM C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@H](OS(=O)(=O)[O-])CC[C@@]43C)[C@@H]1C[C@H]1OC(=O)C=C12 ZINC000118936509 559206765 /nfs/dbraw/zinc/20/67/65/559206765.db2.gz VZDKYIUFBGYSPG-SRDWFZJKSA-N -1 1 424.515 2.858 40 0 HFABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1 ZINC000000837291 559282736 /nfs/dbraw/zinc/28/27/36/559282736.db2.gz BQRQGYDUXSQJBE-UHFFFAOYSA-N -1 1 409.261 2.903 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054888 568535908 /nfs/dbraw/zinc/53/59/08/568535908.db2.gz SDFAVGABCCOYIY-UKRRQHHQSA-N -1 1 409.490 2.688 40 0 HFABMM COC(=O)c1ccc(NC[C@@H]2CCCO2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223418795 568548350 /nfs/dbraw/zinc/54/83/50/568548350.db2.gz CVLBDXYZFIFDMP-KRWDZBQOSA-N -1 1 420.487 2.874 40 0 HFABMM CCn1c2ccc(S(=O)(=O)[N-]c3cc(C(=O)OC)ccc3C)cc2sc1=O ZINC000225689482 568664548 /nfs/dbraw/zinc/66/45/48/568664548.db2.gz PTYYROJDJLSTBS-UHFFFAOYSA-N -1 1 406.485 2.979 40 0 HFABMM C=C1N=C(SCCC(=O)[O-])N[C@@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000033660002 569350904 /nfs/dbraw/zinc/35/09/04/569350904.db2.gz GMFNOMVEJBCXKX-KRWDZBQOSA-N -1 1 408.476 2.749 40 0 HFABMM Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H]1c1nccnc1[N-]c1nccs1 ZINC000585291298 571310202 /nfs/dbraw/zinc/31/02/02/571310202.db2.gz ARICTSPTHUUXLH-MOEXGYKKSA-N -1 1 409.519 3.404 40 0 HFABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389000 523987778 /nfs/dbraw/zinc/98/77/78/523987778.db2.gz JFEZAJHHMSNVMM-XJKSGUPXSA-N -1 1 409.490 2.776 40 0 HFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2)CC(=O)N3)cc1 ZINC000040399795 524719698 /nfs/dbraw/zinc/71/96/98/524719698.db2.gz CHMSSAQVOUHPJA-HNNXBMFYSA-N -1 1 405.414 2.587 40 0 HFABMM O=C(NCc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000040399287 526735824 /nfs/dbraw/zinc/73/58/24/526735824.db2.gz LHHRSZRYBHPARS-OAHLLOKOSA-N -1 1 423.860 2.909 40 0 HFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cc1 ZINC000408561569 557459934 /nfs/dbraw/zinc/45/99/34/557459934.db2.gz JTZHBONUZQSJPH-UHFFFAOYSA-N -1 1 403.460 2.902 40 0 HFABMM C[C@@H](Oc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1)C(=O)N1CCOCC1 ZINC000408587365 557490557 /nfs/dbraw/zinc/49/05/57/557490557.db2.gz BPPGVDNXSFRRKN-CQSZACIVSA-N -1 1 424.906 2.767 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c(C)c1 ZINC000022610372 558501645 /nfs/dbraw/zinc/50/16/45/558501645.db2.gz HKEOMYVRPOXAMF-HNNXBMFYSA-N -1 1 409.490 2.688 40 0 HFABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c1 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/nfs/dbraw/zinc/55/89/81/568558981.db2.gz SPZLFCMFSIPWCN-UHFFFAOYSA-N -1 1 420.487 2.731 40 0 HFABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)c(N4CCCC4=O)c3)ccc21 ZINC000223845707 568560681 /nfs/dbraw/zinc/56/06/81/568560681.db2.gz XPIGMRFNQKLLSH-UHFFFAOYSA-N -1 1 413.499 2.832 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)N3CCOCC3)c2)cc1 ZINC000224069030 568568505 /nfs/dbraw/zinc/56/85/05/568568505.db2.gz WVTSREVLWRXUQL-UHFFFAOYSA-N -1 1 410.879 2.622 40 0 HFABMM COc1ccccc1NC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000248133240 569316349 /nfs/dbraw/zinc/31/63/49/569316349.db2.gz LNGXDEQYOTWJKC-LZNRXBQRSA-N -1 1 409.442 2.523 40 0 HFABMM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000253590445 569318069 /nfs/dbraw/zinc/31/80/69/569318069.db2.gz BHADDIBQJYLPIB-ALKREAHSSA-N -1 1 412.534 2.967 40 0 HFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000139114258 569354515 /nfs/dbraw/zinc/35/45/15/569354515.db2.gz MARWDCIELBFVHS-LSDHHAIUSA-N -1 1 409.490 2.912 40 0 HFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000040390495 523032411 /nfs/dbraw/zinc/03/24/11/523032411.db2.gz NTKIWXFWSVKXBW-HOTGVXAUSA-N -1 1 409.490 2.912 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388679 524156309 /nfs/dbraw/zinc/15/63/09/524156309.db2.gz XQWQKVRPWPSOJF-LZWOXQAQSA-N -1 1 423.517 2.934 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388612 525199810 /nfs/dbraw/zinc/19/98/10/525199810.db2.gz CNLCZLOPXXTXQA-IIYDPXPESA-N -1 1 423.517 2.934 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c(C)c1 ZINC000040390411 525219523 /nfs/dbraw/zinc/21/95/23/525219523.db2.gz KLIKKXGWJIKHGT-GJZGRUSLSA-N -1 1 409.490 2.830 40 0 HFABMM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c(OC)c1 ZINC000408604305 557525811 /nfs/dbraw/zinc/52/58/11/557525811.db2.gz LWNNSPATJXVFGV-CQSZACIVSA-N -1 1 422.503 2.797 40 0 HFABMM COc1ccc([N-]S(=O)(=O)c2ccc(O[C@@H](C)C(=O)NC(C)C)cc2)c(OC)c1 ZINC000408604304 557525847 /nfs/dbraw/zinc/52/58/47/557525847.db2.gz LWNNSPATJXVFGV-AWEZNQCLSA-N -1 1 422.503 2.797 40 0 HFABMM CSc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(C(=O)N2CCOCC2)c1 ZINC000408626690 557559837 /nfs/dbraw/zinc/55/98/37/557559837.db2.gz VWESAMWPUFXTKN-UHFFFAOYSA-N -1 1 406.529 2.990 40 0 HFABMM O=C(C1CCC1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019014551 558836799 /nfs/dbraw/zinc/83/67/99/558836799.db2.gz ZYBABTFHPGRVAB-IBGZPJMESA-N -1 1 412.534 2.699 40 0 HFABMM Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)CN(C(=O)C2CC2)CC3)c1 ZINC000019234419 558853748 /nfs/dbraw/zinc/85/37/48/558853748.db2.gz OWUNFBVEVDOXMO-FQEVSTJZSA-N -1 1 420.513 2.740 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCOCC3)c(Cl)c2)cc1 ZINC000055650221 558883892 /nfs/dbraw/zinc/88/38/92/558883892.db2.gz UWQRUOQMOAADRQ-UHFFFAOYSA-N -1 1 410.879 2.622 40 0 HFABMM COc1ccc(CC(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1C ZINC000019571022 558929646 /nfs/dbraw/zinc/92/96/46/558929646.db2.gz MRFXENBENXTQEF-QGZVFWFLSA-N -1 1 404.470 2.708 40 0 HFABMM CCc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cs2)s1 ZINC000006680877 560634006 /nfs/dbraw/zinc/63/40/06/560634006.db2.gz ITIPUPZTWDOFTF-SNVBAGLBSA-N -1 1 400.551 2.835 40 0 HFABMM CCCN1C(=O)N/C(=C/c2cc(Cl)cc(I)c2[O-])C1=O ZINC000409245925 560701430 /nfs/dbraw/zinc/70/14/30/560701430.db2.gz AYPXGGSYVNMDCK-BJMVGYQFSA-N -1 1 406.607 2.953 40 0 HFABMM COc1ccc2nc(Nc3nc(CSc4ncccn4)cc(=O)[n-]3)nc(C)c2c1 ZINC000009939090 560760794 /nfs/dbraw/zinc/76/07/94/560760794.db2.gz NDRFJPICNGZKAZ-UHFFFAOYSA-N -1 1 407.459 2.856 40 0 HFABMM CCOc1ccc([N-]S(=O)(=O)c2ccn(S(=O)(=O)c3ccccc3)c2)cc1 ZINC000013585746 560817087 /nfs/dbraw/zinc/81/70/87/560817087.db2.gz BODPNWHLOUGGPR-UHFFFAOYSA-N -1 1 406.485 2.925 40 0 HFABMM CCOC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3CC)cc1 ZINC000223032874 568534898 /nfs/dbraw/zinc/53/48/98/568534898.db2.gz UIUBPQHSYCGJFX-UHFFFAOYSA-N -1 1 404.444 2.521 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054806 568535863 /nfs/dbraw/zinc/53/58/63/568535863.db2.gz CIPBPHWACJXDSD-WBMJQRKESA-N -1 1 409.490 2.688 40 0 HFABMM CCOC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2)CC1 ZINC000028201484 568594141 /nfs/dbraw/zinc/59/41/41/568594141.db2.gz GMNXJGWSBDZJJK-UHFFFAOYSA-N -1 1 416.499 2.903 40 0 HFABMM CCOc1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)c1 ZINC000225422200 568636677 /nfs/dbraw/zinc/63/66/77/568636677.db2.gz QAZURVJJSILPNW-UHFFFAOYSA-N -1 1 404.444 2.548 40 0 HFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1)CC(=O)N2 ZINC000040399987 524651530 /nfs/dbraw/zinc/65/15/30/524651530.db2.gz PPWJOAZSXDZSKV-ZDUSSCGKSA-N -1 1 405.414 2.587 40 0 HFABMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 ZINC000408584859 557488174 /nfs/dbraw/zinc/48/81/74/557488174.db2.gz VZBKEEHZIGHYEE-UHFFFAOYSA-N -1 1 416.503 2.994 40 0 HFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)cc1 ZINC000408590090 557499535 /nfs/dbraw/zinc/49/95/35/557499535.db2.gz JAYOKBKJFUNVOJ-CQSZACIVSA-N -1 1 420.487 2.566 40 0 HFABMM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(O[C@H](C)C(=O)NC(C)C)cc2)c1 ZINC000408592044 557504724 /nfs/dbraw/zinc/50/47/24/557504724.db2.gz NJUUETNQYJVJJC-OAHLLOKOSA-N -1 1 404.488 2.982 40 0 HFABMM O=C(Nc1cccc2ccccc21)[C@@H]1CC(=O)Nc2nc(N3CCCC3)[n-]c(=O)c21 ZINC000019961246 558315872 /nfs/dbraw/zinc/31/58/72/558315872.db2.gz SZYZDXSFLRIYFU-OAHLLOKOSA-N -1 1 403.442 2.588 40 0 HFABMM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)c(C)c3)ccc21 ZINC000012652636 558444002 /nfs/dbraw/zinc/44/40/02/558444002.db2.gz PVOWUIMKJGXDFX-UHFFFAOYSA-N -1 1 413.499 2.832 40 0 HFABMM COc1ccccc1NC(=O)[C@H]1[C@@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000015105981 558722931 /nfs/dbraw/zinc/72/29/31/558722931.db2.gz LNGXDEQYOTWJKC-LRXVAGHRSA-N -1 1 409.442 2.523 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388941 558947346 /nfs/dbraw/zinc/94/73/46/558947346.db2.gz SDFAVGABCCOYIY-DZGCQCFKSA-N -1 1 409.490 2.688 40 0 HFABMM Cc1cccc(C(C)C)c1NC(=O)C([O-])=CC(=O)c1c(C)[n+]([O-])c2ccccc2[n+]1[O-] ZINC000102945643 559153690 /nfs/dbraw/zinc/15/36/90/559153690.db2.gz ICJVDDUMKKDRHG-UHFFFAOYSA-N -1 1 421.453 2.627 40 0 HFABMM CCOc1cc(Br)c(Br)c(/C=C2\NC(=S)[N-]C2=O)c1O ZINC000003141403 559166228 /nfs/dbraw/zinc/16/62/28/559166228.db2.gz JXXAXBLAYHPWPX-CLTKARDFSA-N -1 1 422.098 2.661 40 0 HFABMM O=C([O-])c1cccc(COc2ccc(/C=C3/NC(=O)NC3=O)cc2Br)c1 ZINC000409047206 560669759 /nfs/dbraw/zinc/66/97/59/560669759.db2.gz NSPMQNXHSSJTQQ-RIYZIHGNSA-N -1 1 417.215 2.907 40 0 HFABMM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)c1C ZINC000014155570 560840138 /nfs/dbraw/zinc/84/01/38/560840138.db2.gz HNGTXVGYMBBKDK-UHFFFAOYSA-N -1 1 401.532 2.800 40 0 HFABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000223052707 568535649 /nfs/dbraw/zinc/53/56/49/568535649.db2.gz LXSBBLMXCSPXRK-CZUORRHYSA-N -1 1 409.490 2.633 40 0 HFABMM CCOCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)c(C)c1 ZINC000224013590 568566380 /nfs/dbraw/zinc/56/63/80/568566380.db2.gz WMVUSYGGTICWHO-UHFFFAOYSA-N -1 1 406.504 2.961 40 0 HFABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)cc3)ccc21 ZINC000007325446 132323915 /nfs/dbraw/zinc/32/39/15/132323915.db2.gz RSRQIAIPUCKBLN-UHFFFAOYSA-N -1 1 413.499 2.913 40 0 HFABMM O=C(C1CC1)N1CCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)ccc21 ZINC000004884732 557609876 /nfs/dbraw/zinc/60/98/76/557609876.db2.gz FIYCXNDVCVETTQ-UHFFFAOYSA-N -1 1 400.456 2.558 40 0 HFABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(I)cc2)c1 ZINC000024256978 558593233 /nfs/dbraw/zinc/59/32/33/558593233.db2.gz RILNODNHHNYZRS-UHFFFAOYSA-N -1 1 417.224 2.879 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000038828368 558815913 /nfs/dbraw/zinc/81/59/13/558815913.db2.gz JMCYZXCSIDKDDH-DZKIICNBSA-N -1 1 409.490 2.910 40 0 HFABMM O=C(CC1CCCC1)N1CCc2nc([C@H]3CCCCN3C(=O)C3CC3)[n-]c(=O)c2C1 ZINC000019014587 558836750 /nfs/dbraw/zinc/83/67/50/558836750.db2.gz XQQYLGZUBWGIAK-LJQANCHMSA-N -1 1 412.534 2.699 40 0 HFABMM O=C(N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1)c1ccno1 ZINC000019402939 558884073 /nfs/dbraw/zinc/88/40/73/558884073.db2.gz RCIPEHHLSYKNGG-KRWDZBQOSA-N -1 1 405.389 2.673 40 0 HFABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388776 558945572 /nfs/dbraw/zinc/94/55/72/558945572.db2.gz LXSBBLMXCSPXRK-BBRMVZONSA-N -1 1 409.490 2.633 40 0 HFABMM COc1cccc(-c2cccc(NC(=O)CCc3c(C)nc4[n-]cnn4c3=O)c2)c1 ZINC000019665983 558956063 /nfs/dbraw/zinc/95/60/63/558956063.db2.gz YNONQNBEKCSSST-UHFFFAOYSA-N -1 1 403.442 2.973 40 0 HFABMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(OC)cc1OC)CC(=O)N2 ZINC000004944335 560616247 /nfs/dbraw/zinc/61/62/47/560616247.db2.gz DZNVGCDQDZYHCO-NSHDSACASA-N -1 1 405.476 2.772 40 0 HFABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)NC[C@@H]3CCCO3)c21 ZINC000409147451 560683643 /nfs/dbraw/zinc/68/36/43/560683643.db2.gz WSAQAAKINTZCHG-MBBOSUJBSA-N -1 1 413.499 2.823 40 0 HFABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(F)c2)cc1 ZINC000032585862 560857644 /nfs/dbraw/zinc/85/76/44/560857644.db2.gz ACYFWSKULXBQNP-UHFFFAOYSA-N -1 1 416.496 2.666 40 0 HFABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)NC)ccc2C)cc1Cl ZINC000223010973 568534189 /nfs/dbraw/zinc/53/41/89/568534189.db2.gz FPLFEUGNDCYGQB-UHFFFAOYSA-N -1 1 418.924 2.756 40 0 HFABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1 ZINC000223845058 568560706 /nfs/dbraw/zinc/56/07/06/568560706.db2.gz MIHSKCXNUHVGCJ-UHFFFAOYSA-N -1 1 402.472 2.882 40 0 HFABMM COCCCNC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)cc2)ccc1Cl ZINC000224069541 568568389 /nfs/dbraw/zinc/56/83/89/568568389.db2.gz AGILZUKCOBKJCL-UHFFFAOYSA-N -1 1 412.895 2.916 40 0 HFABMM Cc1c(Cl)cccc1S(=O)(=O)[N-]C(=O)c1cccc(CN2CCN(C)CC2)c1 ZINC000257264677 568794078 /nfs/dbraw/zinc/79/40/78/568794078.db2.gz LVOWZVKTGNGMOK-UHFFFAOYSA-N -1 1 421.950 2.515 40 0 HFABMM O=C([O-])CNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000328991843 568971664 /nfs/dbraw/zinc/97/16/64/568971664.db2.gz ISMKFNJLYSJTNK-UHFFFAOYSA-N -1 1 406.229 2.635 40 0 HFABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)ccc1Cl ZINC000044330796 521897663 /nfs/dbraw/zinc/89/76/63/521897663.db2.gz TUIFCVYCGGFGPO-UHFFFAOYSA-N -1 1 408.863 2.836 40 0 HFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 ZINC000408589848 557499266 /nfs/dbraw/zinc/49/92/66/557499266.db2.gz FVSYPEGLHMEZMS-UHFFFAOYSA-N -1 1 402.472 2.818 40 0 HFABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCCC3)cc2)c1 ZINC000408606281 557518327 /nfs/dbraw/zinc/51/83/27/557518327.db2.gz ONLFHRZOIRNNDL-UHFFFAOYSA-N -1 1 404.488 2.887 40 0 HFABMM COC[C@H](C)NC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408607014 557519044 /nfs/dbraw/zinc/51/90/44/557519044.db2.gz PRANUSNPXFDUNE-ZDUSSCGKSA-N -1 1 412.895 2.671 40 0 HFABMM C[C@H](Oc1ccccc1F)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012219676 558355078 /nfs/dbraw/zinc/35/50/78/558355078.db2.gz MMXZXZCJTPNZJB-AWEZNQCLSA-N -1 1 423.448 2.952 40 0 HFABMM COCc1nc(N2CCN(c3cccc(OC)c3)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000022448623 558489903 /nfs/dbraw/zinc/48/99/03/558489903.db2.gz JTQMEZGNZKNMMO-UHFFFAOYSA-N -1 1 420.513 2.842 40 0 HFABMM COc1ccccc1NC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000015105987 558722912 /nfs/dbraw/zinc/72/29/12/558722912.db2.gz LNGXDEQYOTWJKC-SFGWALBWSA-N -1 1 409.442 2.523 40 0 HFABMM Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828468 558815987 /nfs/dbraw/zinc/81/59/87/558815987.db2.gz BNRHNBQNTNTPIL-DZKIICNBSA-N -1 1 409.490 2.910 40 0 HFABMM C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019463423 558894370 /nfs/dbraw/zinc/89/43/70/558894370.db2.gz BHADDIBQJYLPIB-ZSZQSSIHSA-N -1 1 412.534 2.554 40 0 HFABMM CCCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019501344 558899212 /nfs/dbraw/zinc/89/92/12/558899212.db2.gz PXKQTEBKDXJEFC-MRXNPFEDSA-N -1 1 414.531 2.802 40 0 HFABMM CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1cccs1)CC2 ZINC000019501423 558899486 /nfs/dbraw/zinc/89/94/86/558899486.db2.gz WDEAQCIZZZOCDY-INIZCTEOSA-N -1 1 414.531 2.884 40 0 HFABMM Cc1cc([O-])c(CC(Cc2c(O)cc(C)oc2=O)c2ccc3c(c2)OCO3)c(=O)o1 ZINC000057478260 558943547 /nfs/dbraw/zinc/94/35/47/558943547.db2.gz ZNNZWNSEPBVKNT-UHFFFAOYSA-N -1 1 412.394 2.919 40 0 HFABMM O=S(=O)([N-]c1cccc([C@H]2CCc3nncn3C2)c1)c1ccc2c(c1)OCCO2 ZINC000019699075 558966554 /nfs/dbraw/zinc/96/65/54/558966554.db2.gz UCMHXMKKTVZKTJ-HNNXBMFYSA-N -1 1 412.471 2.580 40 0 HFABMM CCC(=O)N1CCC[C@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233659 559132684 /nfs/dbraw/zinc/13/26/84/559132684.db2.gz BWBHQSRCXIVSLF-KRWDZBQOSA-N -1 1 420.517 2.504 40 0 HFABMM CCC(=O)N1CCC[C@@H](c2cc3nc4c(c(=O)n3[n-]2)CN(Cc2ccncc2)CC4)C1 ZINC000100233663 559132718 /nfs/dbraw/zinc/13/27/18/559132718.db2.gz BWBHQSRCXIVSLF-QGZVFWFLSA-N -1 1 420.517 2.504 40 0 HFABMM CC(=O)N1CCc2nc3cc([C@@H]4CCCCN4Cc4cccc(C)n4)[n-]n3c(=O)c2C1 ZINC000100243132 559133310 /nfs/dbraw/zinc/13/33/10/559133310.db2.gz MYRDOBVQFLDNSR-NRFANRHFSA-N -1 1 420.517 2.770 40 0 HFABMM O=C(Nc1n[n-]c(C(F)(F)F)n1)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101372196 560728655 /nfs/dbraw/zinc/72/86/55/560728655.db2.gz IGERRMFEHWOOLW-TXEJJXNPSA-N -1 1 420.395 2.979 40 0 HFABMM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)c1 ZINC000006213985 560740357 /nfs/dbraw/zinc/74/03/57/560740357.db2.gz GVCPPOFECFIRBS-UHFFFAOYSA-N -1 1 401.532 2.800 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1C(F)(F)F ZINC000012428061 560780532 /nfs/dbraw/zinc/78/05/32/560780532.db2.gz HIBKUHOLDOQUOP-UHFFFAOYSA-N -1 1 415.393 2.705 40 0 HFABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4[nH]c(=O)oc4c3)cc2)CC1 ZINC000223028149 568534785 /nfs/dbraw/zinc/53/47/85/568534785.db2.gz ALTIERZCAUGEJK-UHFFFAOYSA-N -1 1 402.428 2.517 40 0 HFABMM COc1cc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(C(C)=O)cc1OC ZINC000223256832 568542922 /nfs/dbraw/zinc/54/29/22/568542922.db2.gz KCYQMJLGGHGDMM-UHFFFAOYSA-N -1 1 407.444 2.724 40 0 HFABMM CCOc1ccc(-c2noc(C[N-]S(=O)(=O)c3cc(OC)ccc3OC)n2)cc1 ZINC000223621241 568553605 /nfs/dbraw/zinc/55/36/05/568553605.db2.gz HFKCRDWYBORJML-UHFFFAOYSA-N -1 1 419.459 2.631 40 0 HFABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)n2)cc1 ZINC000223767856 568558556 /nfs/dbraw/zinc/55/85/56/568558556.db2.gz DAVWPIOVYKZNTB-UHFFFAOYSA-N -1 1 409.851 2.886 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC[C@@H]3CCCO3)cc2C)cc1 ZINC000224011566 568566301 /nfs/dbraw/zinc/56/63/01/568566301.db2.gz TUVAFLZBFOTUCL-KRWDZBQOSA-N -1 1 404.488 2.713 40 0 HFABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c1 ZINC000225677306 568663364 /nfs/dbraw/zinc/66/33/64/568663364.db2.gz KTICBKWOEGGXSU-UHFFFAOYSA-N -1 1 406.485 2.886 40 0 HFABMM CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399180 521110408 /nfs/dbraw/zinc/11/04/08/521110408.db2.gz XODQBCPHWFQAFL-INIZCTEOSA-N -1 1 419.441 2.977 40 0 HFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)cc1 ZINC000044885383 521520513 /nfs/dbraw/zinc/52/05/13/521520513.db2.gz KQKFHPKTZBWOGY-UHFFFAOYSA-N -1 1 418.471 2.800 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000040390377 524153099 /nfs/dbraw/zinc/15/30/99/524153099.db2.gz KJFURFLTHJBMKO-LSDHHAIUSA-N -1 1 409.490 2.830 40 0 HFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040399992 524650462 /nfs/dbraw/zinc/65/04/62/524650462.db2.gz LMVWFBMFMFKYGE-AWEZNQCLSA-N -1 1 419.441 2.895 40 0 HFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000040399803 524720586 /nfs/dbraw/zinc/72/05/86/524720586.db2.gz DRLUBEITYLYEEW-MRXNPFEDSA-N -1 1 419.441 2.895 40 0 HFABMM O=C(c1cnc(-c2ccccc2)[n-]c1=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000019937332 558312468 /nfs/dbraw/zinc/31/24/68/558312468.db2.gz ACKDCDPLBSPJSH-JXMROGBWSA-N -1 1 400.482 2.908 40 0 HFABMM COc1ccc(CCCC(=O)N2CCc3c(nc(-c4cnccn4)[n-]c3=O)C2)c(C)c1 ZINC000012258231 558363170 /nfs/dbraw/zinc/36/31/70/558363170.db2.gz LCGXIJPSUSKYTH-UHFFFAOYSA-N -1 1 419.485 2.864 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c(C)c1 ZINC000022610370 558501726 /nfs/dbraw/zinc/50/17/26/558501726.db2.gz HKEOMYVRPOXAMF-OAHLLOKOSA-N -1 1 409.490 2.688 40 0 HFABMM Cc1ccc2occ(CN3CCc4c(nc(-c5ccccn5)[n-]c4=O)C3)c(=O)c2c1 ZINC000019219837 558851466 /nfs/dbraw/zinc/85/14/66/558851466.db2.gz ALSYAQFBEIOCEM-UHFFFAOYSA-N -1 1 400.438 2.805 40 0 HFABMM CCC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCCC1)CC2 ZINC000019498787 558897127 /nfs/dbraw/zinc/89/71/27/558897127.db2.gz SMNJHHJXGVENAZ-GOSISDBHSA-N -1 1 400.523 2.699 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000223052178 568535637 /nfs/dbraw/zinc/53/56/37/568535637.db2.gz WJUWKRBZFYJTDT-IIAWOOMASA-N -1 1 423.517 2.934 40 0 HFABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21 ZINC000223054287 568535843 /nfs/dbraw/zinc/53/58/43/568535843.db2.gz GDLMZBDZILZYSW-HIFRSBDPSA-N -1 1 409.490 2.633 40 0 HFABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC)c(C)c2C)cc(C(=O)OC)c1 ZINC000223891123 568562111 /nfs/dbraw/zinc/56/21/11/568562111.db2.gz PEGCUCGOZXQWDI-UHFFFAOYSA-N -1 1 407.444 2.686 40 0 HFABMM CCn1c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)sc(=O)n4C)cc2sc1=O ZINC000225073370 568612750 /nfs/dbraw/zinc/61/27/50/568612750.db2.gz RGVJUOUUQWAMSL-UHFFFAOYSA-N -1 1 421.525 2.797 40 0 HFABMM Cc1nc(/C=C/C(=O)N2CCC[C@@H](c3nccnc3[N-]c3ncccn3)C2)cs1 ZINC000585291475 571309732 /nfs/dbraw/zinc/30/97/32/571309732.db2.gz QGOIQYULMOAAJB-LLYBFZRZSA-N -1 1 407.503 3.195 40 0 HFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000040399996 524651182 /nfs/dbraw/zinc/65/11/82/524651182.db2.gz DGROPIRIEOGDGW-AWEZNQCLSA-N -1 1 419.441 2.895 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCC3=O)c2)cc1NC(C)=O ZINC000007726752 557757779 /nfs/dbraw/zinc/75/77/79/557757779.db2.gz QDUDDGBDHOAHME-UHFFFAOYSA-N -1 1 403.460 2.581 40 0 HFABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1 ZINC000019936616 558312296 /nfs/dbraw/zinc/31/22/96/558312296.db2.gz GANBPUGBIUPGPS-UHFFFAOYSA-N -1 1 404.444 2.889 40 0 HFABMM CCOc1ccc(CC(=O)N2CCC(c3cc(=O)[n-]c(-c4cnccn4)n3)CC2)cc1 ZINC000012275709 558363919 /nfs/dbraw/zinc/36/39/19/558363919.db2.gz OEESQAPSGZVSHR-UHFFFAOYSA-N -1 1 419.485 2.987 40 0 HFABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21 ZINC000022610280 558501660 /nfs/dbraw/zinc/50/16/60/558501660.db2.gz VRAUMBPVEQEHLY-OAHLLOKOSA-N -1 1 409.490 2.633 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1C ZINC000022610288 558501733 /nfs/dbraw/zinc/50/17/33/558501733.db2.gz PCQWMGRUVAUSFC-MRXNPFEDSA-N -1 1 409.490 2.688 40 0 HFABMM CCOc1cc(/C=C2/NC(=O)N(C)C2=O)c(Br)c(Br)c1[O-] ZINC000409191455 560689379 /nfs/dbraw/zinc/68/93/79/560689379.db2.gz HWVARUVJEFFYKY-QPJJXVBHSA-N -1 1 420.057 2.838 40 0 HFABMM Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@H](/C=C/c2ccccc2)CC4=O)n1 ZINC000013639671 560826195 /nfs/dbraw/zinc/82/61/95/560826195.db2.gz JXSNRLDJZZNVHN-KIUWMYQTSA-N -1 1 413.437 2.976 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)cc1C ZINC000223050936 568535689 /nfs/dbraw/zinc/53/56/89/568535689.db2.gz CNLCZLOPXXTXQA-PBFPGSCMSA-N -1 1 423.517 2.934 40 0 HFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c(C)c1 ZINC000223787760 568559071 /nfs/dbraw/zinc/55/90/71/568559071.db2.gz JHDAVSYTEMETJD-UHFFFAOYSA-N -1 1 406.460 2.940 40 0 HFABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)c1 ZINC000223787687 568559167 /nfs/dbraw/zinc/55/91/67/568559167.db2.gz ZCHBMZKTFPOQQM-UHFFFAOYSA-N -1 1 406.460 2.940 40 0 HFABMM COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C(=O)N3CCCCC3)cc2)c1 ZINC000223795650 568559435 /nfs/dbraw/zinc/55/94/35/568559435.db2.gz TYOIRQIZVSOOME-UHFFFAOYSA-N -1 1 402.472 2.900 40 0 HFABMM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)sc(=O)n3C)ccc1Cl ZINC000225067448 568612274 /nfs/dbraw/zinc/61/22/74/568612274.db2.gz DHMPELRLKZEBKF-UHFFFAOYSA-N -1 1 412.876 2.841 40 0 HFABMM O=C1CC2(CCN(S(=O)(=O)Cc3ccccc3F)CC2)Oc2cc([O-])ccc21 ZINC000225819795 568677553 /nfs/dbraw/zinc/67/75/53/568677553.db2.gz MSNNFLAAVIEVDS-UHFFFAOYSA-N -1 1 405.447 2.861 40 0 HFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257319210 568810058 /nfs/dbraw/zinc/81/00/58/568810058.db2.gz VRHOKLISVCELBR-QGZVFWFLSA-N -1 1 420.469 2.502 40 0 HFABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000004884683 569323362 /nfs/dbraw/zinc/32/33/62/569323362.db2.gz FTDKFOUEMCEBHV-UHFFFAOYSA-N -1 1 414.483 2.963 40 0 HFABMM Cc1cccc(N(C)CCC(=O)N2CCc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c3C2)c1 ZINC000019655194 569345824 /nfs/dbraw/zinc/34/58/24/569345824.db2.gz BFADSGQYUIDKMT-GOSISDBHSA-N -1 1 423.561 2.726 40 0 HFABMM Cc1cc(C)nc([N-]c2nccnc2C2CCN(C(=O)/C=C/c3cccnc3)CC2)n1 ZINC000585292486 571306294 /nfs/dbraw/zinc/30/62/94/571306294.db2.gz JOCCEEXUMAECFE-AATRIKPKSA-N -1 1 415.501 3.441 40 0 HFABMM Cc1cc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)ccc1Br ZINC000045866074 525288886 /nfs/dbraw/zinc/28/88/86/525288886.db2.gz QPURLVAKDWUGKU-UHFFFAOYSA-N -1 1 404.307 2.962 40 0 HFABMM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1)N1CCCC1 ZINC000408592068 557504776 /nfs/dbraw/zinc/50/47/76/557504776.db2.gz NPAVGFHDOCNPRZ-UHFFFAOYSA-N -1 1 403.460 2.886 40 0 HFABMM COC(=O)c1cc2cc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)ccc2s1 ZINC000019936669 558312291 /nfs/dbraw/zinc/31/22/91/558312291.db2.gz OMUJISNUTMVRPC-UHFFFAOYSA-N -1 1 418.452 2.934 40 0 HFABMM COc1ccccc1CCC(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012258559 558363101 /nfs/dbraw/zinc/36/31/01/558363101.db2.gz CTXCHCKSRHSYOS-UHFFFAOYSA-N -1 1 419.485 2.987 40 0 HFABMM O=C(C1CCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019014553 558836835 /nfs/dbraw/zinc/83/68/35/558836835.db2.gz ZYBABTFHPGRVAB-LJQANCHMSA-N -1 1 412.534 2.699 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388616 558944419 /nfs/dbraw/zinc/94/44/19/558944419.db2.gz CNLCZLOPXXTXQA-GDZNZVCISA-N -1 1 423.517 2.934 40 0 HFABMM C[C@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2cccc4cccnc42)CC3)C1 ZINC000019662676 558953615 /nfs/dbraw/zinc/95/36/15/558953615.db2.gz WUFWSDLYELVXOG-INIZCTEOSA-N -1 1 417.513 2.682 40 0 HFABMM O=C(CN1C(=O)SC(=C2SC(=O)[N-]C2=O)C1=O)Nc1cccc2ccccc21 ZINC000065090554 558970090 /nfs/dbraw/zinc/97/00/90/558970090.db2.gz RYJOYUMSAPEAKO-BUHFOSPRSA-N -1 1 413.436 2.668 40 0 HFABMM CCCOc1cc2c(cc1CN1CCc3nc4cc(C)[n-]n4c(=O)c3CC1)OCO2 ZINC000100775122 559140448 /nfs/dbraw/zinc/14/04/48/559140448.db2.gz QAZADSKLPHCKNB-UHFFFAOYSA-N -1 1 410.474 2.862 40 0 HFABMM CCCOc1cc(Br)c(C=C2C(=O)[N-]C(=S)NC2=O)cc1OCC ZINC000006593386 559211812 /nfs/dbraw/zinc/21/18/12/559211812.db2.gz XULUVCHSXLVMRX-UHFFFAOYSA-N -1 1 413.293 2.551 40 0 HFABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2ccc(C(=O)NC3CCCCC3)cc2)n1 ZINC000004861717 560614093 /nfs/dbraw/zinc/61/40/93/560614093.db2.gz CGBDWSPHVHBPNH-UHFFFAOYSA-N -1 1 400.504 2.872 40 0 HFABMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(OC)cc1OC)CC(=O)N2 ZINC000004944334 560616239 /nfs/dbraw/zinc/61/62/39/560616239.db2.gz DZNVGCDQDZYHCO-LLVKDONJSA-N -1 1 405.476 2.772 40 0 HFABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)cc1 ZINC000223053164 568535624 /nfs/dbraw/zinc/53/56/24/568535624.db2.gz LXSBBLMXCSPXRK-CJNGLKHVSA-N -1 1 409.490 2.633 40 0 HFABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3CCC[C@@H](C)C3)[n-]c(=O)c21 ZINC000223054233 568535791 /nfs/dbraw/zinc/53/57/91/568535791.db2.gz GDLMZBDZILZYSW-UKRRQHHQSA-N -1 1 409.490 2.633 40 0 HFABMM COc1ccc(-c2noc(C[N-]S(=O)(=O)Cc3ccccc3F)n2)cc1OC ZINC000223633222 568554241 /nfs/dbraw/zinc/55/42/41/568554241.db2.gz WGMVXQYFJNALFU-UHFFFAOYSA-N -1 1 407.423 2.513 40 0 HFABMM O=C([O-])CNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000329071534 568975896 /nfs/dbraw/zinc/97/58/96/568975896.db2.gz ZQSAYFOLXMTLGS-UHFFFAOYSA-N -1 1 406.229 2.635 40 0 HFABMM O=C(COc1ccc(/C=C2/NC(=S)[N-]C2=O)cc1Cl)Nc1ccccc1F ZINC000006884601 569335197 /nfs/dbraw/zinc/33/51/97/569335197.db2.gz KFACUVSBWLEGJZ-RIYZIHGNSA-N -1 1 405.838 2.842 40 0 HFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040399999 524650029 /nfs/dbraw/zinc/65/00/29/524650029.db2.gz AGCNOEHYRVXEAN-ZDUSSCGKSA-N -1 1 419.441 2.895 40 0 HFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000040399805 524720248 /nfs/dbraw/zinc/72/02/48/524720248.db2.gz DRLUBEITYLYEEW-INIZCTEOSA-N -1 1 419.441 2.895 40 0 HFABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)NCCc2ccccc2)CC(=O)N3)cc1 ZINC000040400442 525330001 /nfs/dbraw/zinc/33/00/01/525330001.db2.gz YEZNBSTUNJNMBD-QGZVFWFLSA-N -1 1 417.469 2.607 40 0 HFABMM CCOC(=O)Nc1cc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)ccc1OCC ZINC000408585797 557489746 /nfs/dbraw/zinc/48/97/46/557489746.db2.gz JIUZDNVYPBCEJU-UHFFFAOYSA-N -1 1 407.448 2.553 40 0 HFABMM C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012219671 558354984 /nfs/dbraw/zinc/35/49/84/558354984.db2.gz SWFQZHUQXXPLQX-CQSZACIVSA-N -1 1 423.448 2.952 40 0 HFABMM Cc1cccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4[C@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828464 558815975 /nfs/dbraw/zinc/81/59/75/558815975.db2.gz BNRHNBQNTNTPIL-LZWOXQAQSA-N -1 1 409.490 2.910 40 0 HFABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(-c4nncn4C)c3)ccc21 ZINC000019017809 558837277 /nfs/dbraw/zinc/83/72/77/558837277.db2.gz XVCZNDIUVAINKE-UHFFFAOYSA-N -1 1 411.487 2.582 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388740 558945281 /nfs/dbraw/zinc/94/52/81/558945281.db2.gz WJUWKRBZFYJTDT-OFQRWUPVSA-N -1 1 423.517 2.934 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223051382 568535744 /nfs/dbraw/zinc/53/57/44/568535744.db2.gz XWWYXCLKWNGGRK-INMHGKMJSA-N -1 1 423.517 2.934 40 0 HFABMM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NCCCO)cc1 ZINC000223426805 568548614 /nfs/dbraw/zinc/54/86/14/568548614.db2.gz XFCANAPIZBNESN-UHFFFAOYSA-N -1 1 422.503 2.856 40 0 HFABMM COC(=O)c1cc([N-]S(=O)(=O)c2c(C)cc(OC)cc2C)cc(C(=O)OC)c1 ZINC000225788037 568674874 /nfs/dbraw/zinc/67/48/74/568674874.db2.gz JDHAVCSEGBJMOU-UHFFFAOYSA-N -1 1 407.444 2.686 40 0 HFABMM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)cc1C ZINC000225863309 568681752 /nfs/dbraw/zinc/68/17/52/568681752.db2.gz IFDLYKFMQICHFL-UHFFFAOYSA-N -1 1 424.544 2.897 40 0 HFABMM Cc1cc2c(cc1[N-]S(=O)(=O)c1ccc(C(C)(C)C)cc1)n(C)c(=O)c(=O)n2C ZINC000006913854 569179817 /nfs/dbraw/zinc/17/98/17/569179817.db2.gz KOXNLEKQULYKEI-UHFFFAOYSA-N -1 1 415.515 2.644 40 0 HFABMM Cc1csc([N-]c2nccnc2[C@@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 ZINC000585291783 571309608 /nfs/dbraw/zinc/30/96/08/571309608.db2.gz GBHFRWWSWANCRX-LLYBFZRZSA-N -1 1 409.519 3.138 40 0 HFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040390433 523181223 /nfs/dbraw/zinc/18/12/23/523181223.db2.gz BGPGDASDUQUHRJ-CVEARBPZSA-N -1 1 409.490 2.912 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000040390367 524434396 /nfs/dbraw/zinc/43/43/96/524434396.db2.gz YHFAZMJRHXMLJW-HOCLYGCPSA-N -1 1 409.490 2.830 40 0 HFABMM O=c1[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cccc(-c4ccc(F)cc4)c3)ccc2[nH]1 ZINC000012117119 558328845 /nfs/dbraw/zinc/32/88/45/558328845.db2.gz LSERCRBYEPQVEK-UHFFFAOYSA-N -1 1 411.414 2.823 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610327 558501633 /nfs/dbraw/zinc/50/16/33/558501633.db2.gz GUZPOCOIYCNRBY-OAHLLOKOSA-N -1 1 409.490 2.688 40 0 HFABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC(C)CC3)[n-]c(=O)c21 ZINC000022610282 558501702 /nfs/dbraw/zinc/50/17/02/558501702.db2.gz VRAUMBPVEQEHLY-HNNXBMFYSA-N -1 1 409.490 2.633 40 0 HFABMM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)n1 ZINC000016740477 558803300 /nfs/dbraw/zinc/80/33/00/558803300.db2.gz FYWHFTZPVULUMF-UHFFFAOYSA-N -1 1 417.535 2.709 40 0 HFABMM O=C(N[C@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccc(F)cc1)c1ccno1 ZINC000019402936 558883954 /nfs/dbraw/zinc/88/39/54/558883954.db2.gz RCIPEHHLSYKNGG-QGZVFWFLSA-N -1 1 405.389 2.673 40 0 HFABMM CCCC(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(C)s1)CC2 ZINC000019501345 558899252 /nfs/dbraw/zinc/89/92/52/558899252.db2.gz PXKQTEBKDXJEFC-INIZCTEOSA-N -1 1 414.531 2.802 40 0 HFABMM Cc1c(C(=O)N[C@@H](Cc2cc(=O)[n-]c(-c3ccccn3)n2)c2ccccc2)cnn1C 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Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1C ZINC000022610290 558501618 /nfs/dbraw/zinc/50/16/18/558501618.db2.gz PCQWMGRUVAUSFC-INIZCTEOSA-N -1 1 409.490 2.688 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(NC(C)=O)c2)cc1N1CCCC1=O ZINC000030856844 558741231 /nfs/dbraw/zinc/74/12/31/558741231.db2.gz RBUZYPLIKZNQSS-UHFFFAOYSA-N -1 1 403.460 2.581 40 0 HFABMM CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019498857 558897305 /nfs/dbraw/zinc/89/73/05/558897305.db2.gz GSNFYMZGTOHHPN-GOSISDBHSA-N -1 1 400.523 2.699 40 0 HFABMM Cc1nnsc1C(=O)N[C@@H](Cc1cc(=O)[n-]c(-c2ccccn2)n1)c1ccccc1 ZINC000019563591 558923750 /nfs/dbraw/zinc/92/37/50/558923750.db2.gz VWTMMPREQRRUKX-KRWDZBQOSA-N -1 1 418.482 2.706 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388943 558947456 /nfs/dbraw/zinc/94/74/56/558947456.db2.gz SDFAVGABCCOYIY-ZFWWWQNUSA-N -1 1 409.490 2.688 40 0 HFABMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1cc(OC)c(OC)c(OC)c1)CC(=O)N2 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/nfs/dbraw/zinc/57/95/86/568579586.db2.gz RMGUZUYZYAQQDM-UHFFFAOYSA-N -1 1 400.456 2.573 40 0 HFABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3ccc4c(c3)sc(=O)n4C)ccc21 ZINC000225067658 568612154 /nfs/dbraw/zinc/61/21/54/568612154.db2.gz PJBHJMJLMTYLNP-UHFFFAOYSA-N -1 1 417.512 2.700 40 0 HFABMM Cc1nnc([N-]c2cccc([C@@H]3CN(C(=O)COc4ccccc4)CCO3)n2)s1 ZINC000257340633 568816149 /nfs/dbraw/zinc/81/61/49/568816149.db2.gz ZGYZURPYUNSTAT-KRWDZBQOSA-N -1 1 411.487 2.964 40 0 HFABMM Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1C(=O)NC1CCCCC1 ZINC000033764400 569351353 /nfs/dbraw/zinc/35/13/53/569351353.db2.gz GEKMZYXCBZSEPL-UHFFFAOYSA-N -1 1 415.515 2.957 40 0 HFABMM O=C([O-])c1cccc(NC=C2C(=O)NC(=S)N(c3ccc(F)c(Cl)c3)C2=O)c1 ZINC000106589822 569352667 /nfs/dbraw/zinc/35/26/67/569352667.db2.gz YXWAACYBQONSIR-WQLSENKSSA-N -1 1 419.821 2.921 40 0 HFABMM Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H]1c1nccnc1[N-]c1nccs1 ZINC000585291296 571310186 /nfs/dbraw/zinc/31/01/86/571310186.db2.gz ARICTSPTHUUXLH-FYCOFBDGSA-N -1 1 409.519 3.404 40 0 HFABMM CC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(Nc4ccccc4)[n-]c(=O)c32)cc1 ZINC000040399185 518375623 /nfs/dbraw/zinc/37/56/23/518375623.db2.gz NVBKYZAENFXXLC-MRXNPFEDSA-N -1 1 417.425 2.781 40 0 HFABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@H](C(=O)NCc2ccccc2)CC(=O)N3)cc1 ZINC000040400438 525330711 /nfs/dbraw/zinc/33/07/11/525330711.db2.gz PRILEEPVWRBSSD-MRXNPFEDSA-N -1 1 403.442 2.564 40 0 HFABMM COc1ccc(C(=O)C=C([O-])c2cnc(NS(=O)(=O)c3ccccc3)nc2)cc1 ZINC000408527787 557290184 /nfs/dbraw/zinc/29/01/84/557290184.db2.gz CPSFLOUJYFAXOD-UHFFFAOYSA-N -1 1 411.439 2.742 40 0 HFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)cc1 ZINC000013682365 558567326 /nfs/dbraw/zinc/56/73/26/558567326.db2.gz TWQYZOIWCDCRKS-UHFFFAOYSA-N -1 1 420.487 2.811 40 0 HFABMM CC(C)[C@H](NC(=O)[C@H]1OCCc2ccccc21)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445577 558885750 /nfs/dbraw/zinc/88/57/50/558885750.db2.gz FGFAKICJMKHSHQ-SFTDATJTSA-N -1 1 404.470 2.959 40 0 HFABMM C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019463419 558894332 /nfs/dbraw/zinc/89/43/32/558894332.db2.gz BHADDIBQJYLPIB-URLQWDBASA-N -1 1 412.534 2.554 40 0 HFABMM CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)CC1CCCC1)CC2 ZINC000019498858 558897280 /nfs/dbraw/zinc/89/72/80/558897280.db2.gz GSNFYMZGTOHHPN-SFHVURJKSA-N -1 1 400.523 2.699 40 0 HFABMM CCc1cccc2c(C=C3SC(=O)[N-]C3=O)cn(CC(=O)NCCCOC)c21 ZINC000409146143 560684655 /nfs/dbraw/zinc/68/46/55/560684655.db2.gz RQQNQCTWTIDNTJ-YBEGLDIGSA-N -1 1 401.488 2.680 40 0 HFABMM Cc1c2ccc([O-])cc2oc(=O)c1CCC(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000213458360 568456634 /nfs/dbraw/zinc/45/66/34/568456634.db2.gz MSDKYQFFULPLDX-JKSUJKDBSA-N -1 1 420.465 2.547 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000223052240 568535711 /nfs/dbraw/zinc/53/57/11/568535711.db2.gz WJUWKRBZFYJTDT-FMKPAKJESA-N -1 1 423.517 2.934 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)cc1C ZINC000223050997 568535770 /nfs/dbraw/zinc/53/57/70/568535770.db2.gz CNLCZLOPXXTXQA-XNJGSVPQSA-N -1 1 423.517 2.934 40 0 HFABMM COCCCNc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223418292 568548431 /nfs/dbraw/zinc/54/84/31/568548431.db2.gz RIAQNYOHTCEPRC-UHFFFAOYSA-N -1 1 408.476 2.731 40 0 HFABMM CCc1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)ccc1OC ZINC000223684805 568556177 /nfs/dbraw/zinc/55/61/77/568556177.db2.gz DQYKKHNIVMJZKG-UHFFFAOYSA-N -1 1 424.544 2.843 40 0 HFABMM COCCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)cc2)cc1Cl ZINC000224021766 568566666 /nfs/dbraw/zinc/56/66/66/568566666.db2.gz PQDRTMXPEJTWBG-UHFFFAOYSA-N -1 1 412.895 2.916 40 0 HFABMM Cn1c2ccc(S(=O)(=O)[N-]c3ccc(N4CCCC4=O)cc3)cc2sc1=O ZINC000225678516 568663517 /nfs/dbraw/zinc/66/35/17/568663517.db2.gz FUPGNZGRNFRVHG-UHFFFAOYSA-N -1 1 403.485 2.528 40 0 HFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCC3)c2)cc1 ZINC000007361331 569337314 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418.471 2.800 40 0 HFABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)cc1 ZINC000022610056 558501428 /nfs/dbraw/zinc/50/14/28/558501428.db2.gz LEYQKUPKCFDIHC-MRXNPFEDSA-N -1 1 409.490 2.633 40 0 HFABMM Cc1ccccc1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CC1)CC2 ZINC000019236777 558855922 /nfs/dbraw/zinc/85/59/22/558855922.db2.gz KXKDYXWDOXKDHP-FQEVSTJZSA-N -1 1 420.513 2.740 40 0 HFABMM Cn1cnnc1-c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000019291851 558864284 /nfs/dbraw/zinc/86/42/84/558864284.db2.gz IVLKFUZSXKGIGH-UHFFFAOYSA-N -1 1 423.498 2.582 40 0 HFABMM CC(C)[C@@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445571 558885732 /nfs/dbraw/zinc/88/57/32/558885732.db2.gz FGFAKICJMKHSHQ-NHCUHLMSSA-N -1 1 404.470 2.959 40 0 HFABMM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019463417 558894412 /nfs/dbraw/zinc/89/44/12/558894412.db2.gz BHADDIBQJYLPIB-SIXWZSSISA-N -1 1 412.534 2.554 40 0 HFABMM 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557492349 /nfs/dbraw/zinc/49/23/49/557492349.db2.gz NTWFYROSJNYUAQ-UHFFFAOYSA-N -1 1 413.835 2.723 40 0 HFABMM CCNC(=O)c1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3ccccc3)n[nH]2)c1 ZINC000408712997 557744521 /nfs/dbraw/zinc/74/45/21/557744521.db2.gz FPSZVHZBWVJVTF-UHFFFAOYSA-N -1 1 400.460 2.636 40 0 HFABMM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CN3CCCCCC3)cc2)nc(C)n1 ZINC000016740474 558803240 /nfs/dbraw/zinc/80/32/40/558803240.db2.gz OOJKIHKURIQVJT-UHFFFAOYSA-N -1 1 417.535 2.709 40 0 HFABMM CCc1ccccc1NC(=O)[C@H]1CC(=O)Nc2nc(N3CCC[C@H](C)C3)[n-]c(=O)c21 ZINC000040388897 558947259 /nfs/dbraw/zinc/94/72/59/558947259.db2.gz GDLMZBDZILZYSW-ZFWWWQNUSA-N -1 1 409.490 2.633 40 0 HFABMM CC(C)C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000072399055 558976629 /nfs/dbraw/zinc/97/66/29/558976629.db2.gz HQQCOOHJEDLDLW-SFHVURJKSA-N -1 1 400.523 2.554 40 0 HFABMM COC(=O)c1ccc(N2CCN(C)CC2)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1 ZINC000223416588 568548279 /nfs/dbraw/zinc/54/82/79/568548279.db2.gz 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CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000040390493 523181213 /nfs/dbraw/zinc/18/12/13/523181213.db2.gz NTKIWXFWSVKXBW-CVEARBPZSA-N -1 1 409.490 2.912 40 0 HFABMM CC(=O)Nc1ccc(OCCCc2c(=O)[n-]c(NC(C)=O)nc2-c2ccccc2)cc1 ZINC000005182340 557638919 /nfs/dbraw/zinc/63/89/19/557638919.db2.gz CLVMNNXHJRBEFM-FQEVSTJZSA-N -1 1 420.469 2.942 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)cc1C(=O)N1CCOCC1 ZINC000408693143 557706888 /nfs/dbraw/zinc/70/68/88/557706888.db2.gz JHBKQLMWHGSEQF-UHFFFAOYSA-N -1 1 424.906 2.930 40 0 HFABMM CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cc(OCC)ccc3n2)[n-]c1=O ZINC000020673233 558398852 /nfs/dbraw/zinc/39/88/52/558398852.db2.gz LXFBSILLXRWDML-UHFFFAOYSA-N -1 1 411.462 2.968 40 0 HFABMM Cc1ccc(O[C@@H](C)C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019210792 558848348 /nfs/dbraw/zinc/84/83/48/558848348.db2.gz HMOVZALOICYRHC-IRXDYDNUSA-N -1 1 404.470 2.924 40 0 HFABMM Cc1cccc(N(C)CCC(=O)N2CCc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c3C2)c1 ZINC000019655197 558948613 /nfs/dbraw/zinc/94/86/13/558948613.db2.gz BFADSGQYUIDKMT-SFHVURJKSA-N -1 1 423.561 2.726 40 0 HFABMM Cc1cc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C(=O)[O-])c3)cs2)no1 ZINC000013996941 559132627 /nfs/dbraw/zinc/13/26/27/559132627.db2.gz RCIMXHKYTZEFFX-UHFFFAOYSA-N -1 1 407.429 2.796 40 0 HFABMM CCc1cccc(C)c1NC(=O)C([O-])=CC(=O)CS(=O)(=O)c1ccc(C)cc1 ZINC000104273715 559159636 /nfs/dbraw/zinc/15/96/36/559159636.db2.gz YBIFFEWURIEEMK-UHFFFAOYSA-N -1 1 401.484 2.807 40 0 HFABMM CCc1nnc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)s1 ZINC000006680731 560633859 /nfs/dbraw/zinc/63/38/59/560633859.db2.gz NNSJOJLAJFDEAI-UHFFFAOYSA-N -1 1 400.551 2.979 40 0 HFABMM Cc1cc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)ccc1N1CCCC1=O ZINC000223790142 568559236 /nfs/dbraw/zinc/55/92/36/568559236.db2.gz ZSMDFLGGWNFZRM-UHFFFAOYSA-N -1 1 401.488 2.624 40 0 HFABMM CCOC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c1C ZINC000223844977 568560695 /nfs/dbraw/zinc/56/06/95/568560695.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(=O)NCC(C)C ZINC000408596402 557514446 /nfs/dbraw/zinc/51/44/46/557514446.db2.gz UUJDPDPMNHSVJP-UHFFFAOYSA-N -1 1 404.488 2.953 40 0 HFABMM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl)NC[C@H]1CCCO1 ZINC000408601040 557521702 /nfs/dbraw/zinc/52/17/02/557521702.db2.gz DUIPCYWQOMWFJF-OAHLLOKOSA-N -1 1 424.906 2.815 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2C)cc1C(=O)N1CCOCC1 ZINC000408693191 557706957 /nfs/dbraw/zinc/70/69/57/557706957.db2.gz KBEXYBYMTNFLPS-UHFFFAOYSA-N -1 1 424.906 2.930 40 0 HFABMM COC(=O)C1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000013648996 558557657 /nfs/dbraw/zinc/55/76/57/558557657.db2.gz CSWYZMIWIWIOKN-UHFFFAOYSA-N -1 1 416.499 2.821 40 0 HFABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1 ZINC000013677366 558564919 /nfs/dbraw/zinc/56/49/19/558564919.db2.gz SIZZRZRHDSWBJJ-UHFFFAOYSA-N -1 1 420.487 2.729 40 0 HFABMM Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000038772204 558815344 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413.499 2.913 40 0 HFABMM O=C([O-])CNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329040193 568974207 /nfs/dbraw/zinc/97/42/07/568974207.db2.gz SBDYCOAEZISCER-UHFFFAOYSA-N -1 1 406.229 2.635 40 0 HFABMM CC(=O)N1CCCc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4=O)c3)ccc21 ZINC000007325440 132323919 /nfs/dbraw/zinc/32/39/19/132323919.db2.gz TUKTXNRPYOMMSP-UHFFFAOYSA-N -1 1 413.499 2.913 40 0 HFABMM COc1ccc(C)cc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399231 523837252 /nfs/dbraw/zinc/83/72/52/523837252.db2.gz ZELHMVMHRPRANM-CQSZACIVSA-N -1 1 419.441 2.895 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)ccc2C)cc1C(=O)N1CCOCC1 ZINC000408693150 557706904 /nfs/dbraw/zinc/70/69/04/557706904.db2.gz JNBDJBLVJCNVHX-UHFFFAOYSA-N -1 1 424.906 2.930 40 0 HFABMM O=C(CCCOc1ccccc1F)N1CCc2c(=O)[n-]c(-c3cnccn3)nc2C1 ZINC000012258290 558363192 /nfs/dbraw/zinc/36/31/92/558363192.db2.gz PBTAAEFADHFTIV-UHFFFAOYSA-N -1 1 409.421 2.522 40 0 HFABMM COC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2C)CC1 ZINC000013671090 558562370 /nfs/dbraw/zinc/56/23/70/558562370.db2.gz KTEQBWRTSKAWBQ-UHFFFAOYSA-N -1 1 416.499 2.821 40 0 HFABMM Cc1ccc(O[C@H](C)C(=O)N2CC[C@@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019210784 558848367 /nfs/dbraw/zinc/84/83/67/558848367.db2.gz HMOVZALOICYRHC-IAGOWNOFSA-N -1 1 404.470 2.924 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388681 558944319 /nfs/dbraw/zinc/94/43/19/558944319.db2.gz XQWQKVRPWPSOJF-OFQRWUPVSA-N -1 1 423.517 2.934 40 0 HFABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@@H](C)C[C@H](C)C3)[n-]c(=O)c21 ZINC000040388602 558944372 /nfs/dbraw/zinc/94/43/72/558944372.db2.gz XQXLQOPTOBLMDA-OFQRWUPVSA-N -1 1 423.517 2.879 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388974 558947919 /nfs/dbraw/zinc/94/79/19/558947919.db2.gz UWSCUIVHGPZPHJ-ZFWWWQNUSA-N -1 1 409.490 2.688 40 0 HFABMM C[C@@H]1CCCN(c2nc3c(c(=O)[n-]2)CN(C(=O)Cc2cccc4cccnc42)CC3)C1 ZINC000019662674 558953695 /nfs/dbraw/zinc/95/36/95/558953695.db2.gz WUFWSDLYELVXOG-MRXNPFEDSA-N -1 1 417.513 2.682 40 0 HFABMM Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](c2ccc(F)cc2)CC4=O)n1 ZINC000013639685 560826182 /nfs/dbraw/zinc/82/61/82/560826182.db2.gz UFVRAYQAPZTRDI-GFCCVEGCSA-N -1 1 405.389 2.570 40 0 HFABMM COc1ccccc1NC(=O)[C@@H]1[C@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000015105984 560853838 /nfs/dbraw/zinc/85/38/38/560853838.db2.gz LNGXDEQYOTWJKC-ZWCUEREDSA-N -1 1 409.442 2.523 40 0 HFABMM CCOC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)oc(=O)n4C)cc2)CC1 ZINC000223030573 568534926 /nfs/dbraw/zinc/53/49/26/568534926.db2.gz XUUZQOYEEVYUTN-UHFFFAOYSA-N -1 1 416.455 2.527 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054738 568535799 /nfs/dbraw/zinc/53/57/99/568535799.db2.gz CIPBPHWACJXDSD-MLGOLLRUSA-N -1 1 409.490 2.688 40 0 HFABMM COC[C@@H](C)Nc1ccc(C(=O)OC)cc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000223420657 568548463 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HFABMM CCN1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3ccccc3)cc2Cl)CC1 ZINC000044903025 521670167 /nfs/dbraw/zinc/67/01/67/521670167.db2.gz OZAWUBJYYKUNJG-UHFFFAOYSA-N -1 1 407.923 2.919 40 0 HFABMM O=C(NCc1ccccc1)[C@@H]1CC(=O)Nc2nc(Nc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000040399375 526736205 /nfs/dbraw/zinc/73/62/05/526736205.db2.gz MPWXIHYJAJNPRV-OAHLLOKOSA-N -1 1 423.860 2.909 40 0 HFABMM Cc1cc(=O)[n-]c(SCC(=O)Nc2cccc(I)c2)n1 ZINC000408544027 557360930 /nfs/dbraw/zinc/36/09/30/557360930.db2.gz RKHRCQLCWYHMNJ-UHFFFAOYSA-N -1 1 401.229 2.826 40 0 HFABMM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)cc1 ZINC000408593705 557511615 /nfs/dbraw/zinc/51/16/15/557511615.db2.gz NEAYLHVNNHYCBD-UHFFFAOYSA-N -1 1 401.488 2.990 40 0 HFABMM COCCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1Cl ZINC000408601749 557522141 /nfs/dbraw/zinc/52/21/41/557522141.db2.gz HAIOSKXVQSAGOW-UHFFFAOYSA-N -1 1 412.895 2.672 40 0 HFABMM O=C1CCC(=O)N1c1cccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000408722175 557769384 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LRFXQJYJLGDNAV-UHFFFAOYSA-N -1 1 407.459 2.856 40 0 HFABMM COC(=O)c1ccc(NC[C@H]2CCCO2)c(S(=O)(=O)[N-]c2ccc(OC)cc2)c1 ZINC000223418843 568548398 /nfs/dbraw/zinc/54/83/98/568548398.db2.gz CVLBDXYZFIFDMP-QGZVFWFLSA-N -1 1 420.487 2.874 40 0 HFABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1NC(=O)C(C)C ZINC000224706505 568593267 /nfs/dbraw/zinc/59/32/67/568593267.db2.gz UPETTYPALICERJ-UHFFFAOYSA-N -1 1 407.517 2.903 40 0 HFABMM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)ccc1Cl ZINC000225082616 568613078 /nfs/dbraw/zinc/61/30/78/568613078.db2.gz LZVYVNPZAVOGBN-UHFFFAOYSA-N -1 1 422.846 2.581 40 0 HFABMM CCOC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 ZINC000225087578 568613418 /nfs/dbraw/zinc/61/34/18/568613418.db2.gz SCUMAUYMHDUGKU-UHFFFAOYSA-N -1 1 416.455 2.626 40 0 HFABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1 ZINC000225299932 568628630 /nfs/dbraw/zinc/62/86/30/568628630.db2.gz OTDCBSNTXFIPJM-UHFFFAOYSA-N -1 1 414.483 2.882 40 0 HFABMM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3cccc(N4CCCC4=O)c3)ccc21 ZINC000225864179 568681773 /nfs/dbraw/zinc/68/17/73/568681773.db2.gz RHZDDFLKKZDBBA-UHFFFAOYSA-N -1 1 413.499 2.913 40 0 HFABMM COc1cc([C@H]2c3c(=O)[nH][n-]c3C[C@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000009408884 569324784 /nfs/dbraw/zinc/32/47/84/569324784.db2.gz QIODCYBHARFFQT-NOXFTYBFSA-N -1 1 424.453 2.628 40 0 HFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000139114140 569354495 /nfs/dbraw/zinc/35/44/95/569354495.db2.gz MARWDCIELBFVHS-HUUCEWRRSA-N -1 1 409.490 2.912 40 0 HFABMM CC(C)(CC(=O)[O-])CC(=O)N1Cc2[nH]cnc2C[C@H]1c1nc(Cc2ccccc2)no1 ZINC000015675956 291216702 /nfs/dbraw/zinc/21/67/02/291216702.db2.gz SXIPSEKIJRFUQA-KRWDZBQOSA-N -1 1 423.473 2.901 40 0 biogenic,in-vitro HFABMM CN(Cc1ccccc1)C(=O)[C@@H]1Cc2nc[nH]c2CN1Cc1ccc(C(=O)[O-])cc1 ZINC000031153654 291220254 /nfs/dbraw/zinc/22/02/54/291220254.db2.gz GXOZWGIQLWCRHD-NRFANRHFSA-N -1 1 404.470 2.693 40 0 biogenic,in-vitro HFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000040390435 523032257 /nfs/dbraw/zinc/03/22/57/523032257.db2.gz BGPGDASDUQUHRJ-HOTGVXAUSA-N -1 1 409.490 2.912 40 0 HFABMM CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1 ZINC000040389002 523990458 /nfs/dbraw/zinc/99/04/58/523990458.db2.gz JFEZAJHHMSNVMM-BBRMVZONSA-N -1 1 409.490 2.776 40 0 HFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000040399801 524719140 /nfs/dbraw/zinc/71/91/40/524719140.db2.gz ROQYVLJLIDJVBQ-INIZCTEOSA-N -1 1 419.441 2.895 40 0 HFABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)NCc2ccccc2)CC(=O)N3)cc1 ZINC000040400436 525328754 /nfs/dbraw/zinc/32/87/54/525328754.db2.gz PRILEEPVWRBSSD-INIZCTEOSA-N -1 1 403.442 2.564 40 0 HFABMM Cc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)NCCc2ccccc2)CC(=O)N3)cc1 ZINC000040400440 525330051 /nfs/dbraw/zinc/33/00/51/525330051.db2.gz YEZNBSTUNJNMBD-KRWDZBQOSA-N -1 1 417.469 2.607 40 0 HFABMM C[C@H](Oc1cccc(F)c1)C(=O)N1CCC(c2cc(=O)[n-]c(-c3cnccn3)n2)CC1 ZINC000012219672 558355068 /nfs/dbraw/zinc/35/50/68/558355068.db2.gz SWFQZHUQXXPLQX-AWEZNQCLSA-N -1 1 423.448 2.952 40 0 HFABMM O=S(=O)(Cc1ccccc1F)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000022513722 558493517 /nfs/dbraw/zinc/49/35/17/558493517.db2.gz UPEQMUPTOQCNBI-UHFFFAOYSA-N -1 1 421.475 2.963 40 0 HFABMM Cc1ccc(O[C@H](C)C(=O)N2CCc3nc(-c4cnccn4)[n-]c(=O)c3C2)c(C)c1 ZINC000013226944 558526760 /nfs/dbraw/zinc/52/67/60/558526760.db2.gz WUAYSKHGPGCGMU-OAHLLOKOSA-N -1 1 405.458 2.608 40 0 HFABMM COc1ccccc1NC(=O)[C@H]1[C@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000036556757 558799953 /nfs/dbraw/zinc/79/99/53/558799953.db2.gz LNGXDEQYOTWJKC-JUXOCIIHSA-N -1 1 409.442 2.523 40 0 HFABMM CCOc1ccc(CC(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019532794 558912851 /nfs/dbraw/zinc/91/28/51/558912851.db2.gz XLVXDMOGCOEERD-KRWDZBQOSA-N -1 1 404.470 2.789 40 0 HFABMM COc1ccc(C(=O)N2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)c(OC)c1 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412.533 2.835 40 0 HFABMM O=C1CCC(=O)N1c1cccc(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000408721243 557769012 /nfs/dbraw/zinc/76/90/12/557769012.db2.gz FRVBMCXPJQOBKF-UHFFFAOYSA-N -1 1 409.261 2.903 40 0 HFABMM COCc1nc(N2CCN(c3ccccc3OC)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000022448586 558489989 /nfs/dbraw/zinc/48/99/89/558489989.db2.gz BMKOLEKADPOSAJ-UHFFFAOYSA-N -1 1 420.513 2.842 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610315 558501677 /nfs/dbraw/zinc/50/16/77/558501677.db2.gz KNEJAOOHWASRDL-MRXNPFEDSA-N -1 1 409.490 2.688 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)N3CCCC3)cc2)cc1OC ZINC000013848683 558597869 /nfs/dbraw/zinc/59/78/69/558597869.db2.gz IRHHRBXFEILDCM-UHFFFAOYSA-N -1 1 404.488 2.670 40 0 HFABMM COc1cc(C)ccc1OCC(=O)N1CC[C@H](c2cc(=O)[n-]c(-c3ccccn3)n2)C1 ZINC000019134170 558845929 /nfs/dbraw/zinc/84/59/29/558845929.db2.gz YIAGHJPNSHJGJK-INIZCTEOSA-N -1 1 420.469 2.956 40 0 HFABMM CC(C)C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 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CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(NC(C)=O)c3)cc2sc1=O ZINC000225122229 568615734 /nfs/dbraw/zinc/61/57/34/568615734.db2.gz GZGGGOJBPBKMJS-UHFFFAOYSA-N -1 1 421.500 2.851 40 0 HFABMM CCOC(=O)COc1ccc(C=C(Sc2nnc(C)[nH]2)C(=O)[O-])cc1OCC ZINC000006537858 569333296 /nfs/dbraw/zinc/33/32/96/569333296.db2.gz QKPYPAOJZNDSLH-DHDCSXOGSA-N -1 1 407.448 2.672 40 0 HFABMM CCOC(=O)COc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1OCC ZINC000006537858 569333298 /nfs/dbraw/zinc/33/32/98/569333298.db2.gz QKPYPAOJZNDSLH-DHDCSXOGSA-N -1 1 407.448 2.672 40 0 HFABMM CN1C(=O)/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)[N-]C1=S ZINC000006949751 569335467 /nfs/dbraw/zinc/33/54/67/569335467.db2.gz GXONWOHZSJCIBE-AQTBWJFISA-N -1 1 405.479 2.977 40 0 HFABMM Cc1csc([N-]c2nccnc2[C@H]2CCCN(C(=O)/C=C/c3ccnn3C)C2)n1 ZINC000585291785 571309617 /nfs/dbraw/zinc/30/96/17/571309617.db2.gz GBHFRWWSWANCRX-NFAHFFEMSA-N -1 1 409.519 3.138 40 0 HFABMM Cc1nc(/C=C/C(=O)N2CCC(c3nccnc3[N-]c3ncccn3)CC2)cs1 ZINC000585291124 571309736 /nfs/dbraw/zinc/30/97/36/571309736.db2.gz KZVYKKYFOBOHMK-ONEGZZNKSA-N -1 1 407.503 3.195 40 0 HFABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1C ZINC000044667992 522242917 /nfs/dbraw/zinc/24/29/17/522242917.db2.gz IEHCFAQZCXSAHA-UHFFFAOYSA-N -1 1 402.472 2.882 40 0 HFABMM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1 ZINC000044839506 525083798 /nfs/dbraw/zinc/08/37/98/525083798.db2.gz AWUFRTCZGACKCU-UHFFFAOYSA-N -1 1 419.484 2.692 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c(C)c1 ZINC000040388736 525199598 /nfs/dbraw/zinc/19/95/98/525199598.db2.gz WJUWKRBZFYJTDT-IJEWVQPXSA-N -1 1 423.517 2.934 40 0 HFABMM COc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccco3)cc2)c1 ZINC000408602793 557523412 /nfs/dbraw/zinc/52/34/12/557523412.db2.gz IXXQUMAQUFEKTG-UHFFFAOYSA-N -1 1 416.455 2.784 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C)cc1C(=O)N1CCOCC1 ZINC000408693025 557706751 /nfs/dbraw/zinc/70/67/51/557706751.db2.gz BKOWSXGJJFIOCX-UHFFFAOYSA-N -1 1 424.906 2.930 40 0 HFABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(N3CCCC3=O)c2)c1C ZINC000019932609 558310931 /nfs/dbraw/zinc/31/09/31/558310931.db2.gz VOQVTHYXZSVYJK-UHFFFAOYSA-N -1 1 418.471 2.718 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388663 558944343 /nfs/dbraw/zinc/94/43/43/558944343.db2.gz XWWYXCLKWNGGRK-YQQAZPJKSA-N -1 1 423.517 2.934 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1C ZINC000040388904 558947302 /nfs/dbraw/zinc/94/73/02/558947302.db2.gz AAWWQWHNRHXGHE-LRDDRELGSA-N -1 1 409.490 2.688 40 0 HFABMM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2cccc(Br)c2)cc1 ZINC000000828348 559281627 /nfs/dbraw/zinc/28/16/27/559281627.db2.gz IXQPCGACPHGQRK-UHFFFAOYSA-N -1 1 409.261 2.903 40 0 HFABMM CN(C)S(=O)(=O)c1csc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)c1 ZINC000006680235 560633732 /nfs/dbraw/zinc/63/37/32/560633732.db2.gz FXVVFESKQWBHQK-UHFFFAOYSA-N -1 1 408.530 2.693 40 0 HFABMM Cc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(C)Cc3ccccc3)cs2)s1 ZINC000006680976 560633994 /nfs/dbraw/zinc/63/39/94/560633994.db2.gz RYHAHTODEKHEQZ-UHFFFAOYSA-N -1 1 408.530 2.981 40 0 HFABMM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)c(OC)cc2C)cc(C(=O)OC)c1 ZINC000223312303 568544912 /nfs/dbraw/zinc/54/49/12/568544912.db2.gz RADZLJBKPGWCHO-UHFFFAOYSA-N -1 1 407.444 2.686 40 0 HFABMM CSc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1NC(C)=O ZINC000223418051 568548343 /nfs/dbraw/zinc/54/83/43/568548343.db2.gz ILJXIGNWACLZLG-UHFFFAOYSA-N -1 1 407.517 2.870 40 0 HFABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2C)cc1 ZINC000225593933 568655519 /nfs/dbraw/zinc/65/55/19/568655519.db2.gz ZUJIPHFDOQZSRY-UHFFFAOYSA-N -1 1 400.497 2.965 40 0 HFABMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000253590450 569318084 /nfs/dbraw/zinc/31/80/84/569318084.db2.gz BHADDIBQJYLPIB-OGWOLHLISA-N -1 1 412.534 2.967 40 0 HFABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1C ZINC000032586364 521210802 /nfs/dbraw/zinc/21/08/02/521210802.db2.gz NRMMSSVZNHSKDI-UHFFFAOYSA-N -1 1 412.533 2.753 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N(C)C)ccc2C)cc1Cl ZINC000032586365 525080556 /nfs/dbraw/zinc/08/05/56/525080556.db2.gz PVXNZBTYKSAIMX-UHFFFAOYSA-N -1 1 418.924 2.708 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)c(C)c1 ZINC000040390409 525199006 /nfs/dbraw/zinc/19/90/06/525199006.db2.gz KLIKKXGWJIKHGT-LSDHHAIUSA-N -1 1 409.490 2.830 40 0 HFABMM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1N1CCCC1=O ZINC000225681791 525304627 /nfs/dbraw/zinc/30/46/27/525304627.db2.gz LLGQXZBNRIVDOG-UHFFFAOYSA-N -1 1 417.512 2.836 40 0 HFABMM Cn1c2ccc(S(=O)(=O)[N-]c3cccc(N4CCCC4=O)c3)cc2sc1=O ZINC000225683067 527104817 /nfs/dbraw/zinc/10/48/17/527104817.db2.gz LOZROPHXIVGKHU-UHFFFAOYSA-N -1 1 403.485 2.528 40 0 HFABMM CCOc1ccc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)cc1C ZINC000408588767 557494444 /nfs/dbraw/zinc/49/44/44/557494444.db2.gz YMYGORQHYLFOBW-UHFFFAOYSA-N -1 1 407.444 2.768 40 0 HFABMM COC(=O)c1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCCN3C(C)=O)c1 ZINC000015245121 558729746 /nfs/dbraw/zinc/72/97/46/558729746.db2.gz ICAUIMYYDOTHMA-UHFFFAOYSA-N -1 1 402.472 2.882 40 0 HFABMM O=S(=O)(Cc1ccccc1)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000038757128 558814946 /nfs/dbraw/zinc/81/49/46/558814946.db2.gz KLUQOFROAIFRDB-UHFFFAOYSA-N -1 1 403.485 2.824 40 0 HFABMM Cc1cccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4[C@@H](C)CCC[C@@H]4C)[n-]c(=O)c32)c1 ZINC000038828466 558816001 /nfs/dbraw/zinc/81/60/01/558816001.db2.gz BNRHNBQNTNTPIL-OFQRWUPVSA-N -1 1 409.490 2.910 40 0 HFABMM COc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1cccc(C(=O)[O-])c1 ZINC000017299852 558826597 /nfs/dbraw/zinc/82/65/97/558826597.db2.gz ZCJISZKXPALHJK-AUWJEWJLSA-N -1 1 402.790 2.806 40 0 HFABMM O=C(CC1CCCC1)N1CCc2nc([C@@H]3CCCCN3C(=O)C3CC3)[n-]c(=O)c2C1 ZINC000019014585 558836782 /nfs/dbraw/zinc/83/67/82/558836782.db2.gz XQQYLGZUBWGIAK-IBGZPJMESA-N -1 1 412.534 2.699 40 0 HFABMM CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCCC1)CC2 ZINC000019498855 558897321 /nfs/dbraw/zinc/89/73/21/558897321.db2.gz FVPYEPLXXBPHBM-GOSISDBHSA-N -1 1 400.523 2.699 40 0 HFABMM CCOC(=O)c1[nH]c(C)c(CN2CCc3c(nc(-c4ccccn4)[n-]c3=O)C2)c1C ZINC000019530677 558911487 /nfs/dbraw/zinc/91/14/87/558911487.db2.gz OEAILYSFVLHNAS-UHFFFAOYSA-N -1 1 407.474 2.512 40 0 HFABMM CCOCc1ccc(C(=O)N2CC[C@H](c3cc(=O)[n-]c(-c4ccccn4)n3)C2)cc1 ZINC000019531205 558911901 /nfs/dbraw/zinc/91/19/01/558911901.db2.gz LWPCEDQXZXEGFK-SFHVURJKSA-N -1 1 404.470 2.998 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388931 558947745 /nfs/dbraw/zinc/94/77/45/558947745.db2.gz CIPBPHWACJXDSD-LRDDRELGSA-N -1 1 409.490 2.688 40 0 HFABMM CCN1CCN(C(=O)c2cc([N-]S(=O)(=O)c3ccccc3)ccc2Cl)CC1 ZINC000216273774 568464007 /nfs/dbraw/zinc/46/40/07/568464007.db2.gz LKOQAYHHSRFPJZ-UHFFFAOYSA-N -1 1 407.923 2.919 40 0 HFABMM Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1C ZINC000040390337 525198450 /nfs/dbraw/zinc/19/84/50/525198450.db2.gz CUSWWPCOKVHGEX-GOEBONIOSA-N -1 1 409.490 2.830 40 0 HFABMM Cc1cc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)ccc1N1CCCC1=O ZINC000225681757 525291473 /nfs/dbraw/zinc/29/14/73/525291473.db2.gz CQOGHKCZFUWBHI-UHFFFAOYSA-N -1 1 417.512 2.836 40 0 HFABMM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCCC3)c2)c1 ZINC000408596135 557514195 /nfs/dbraw/zinc/51/41/95/557514195.db2.gz RIPUMTCABSLIBW-UHFFFAOYSA-N -1 1 401.488 2.990 40 0 HFABMM CCN(CC)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cc1 ZINC000408677196 557682586 /nfs/dbraw/zinc/68/25/86/557682586.db2.gz AYCBQKBATDURMX-UHFFFAOYSA-N -1 1 416.496 2.666 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC(C)CC4)[n-]c(=O)c32)c1 ZINC000022610316 558501608 /nfs/dbraw/zinc/50/16/08/558501608.db2.gz KNEJAOOHWASRDL-INIZCTEOSA-N -1 1 409.490 2.688 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388929 558947728 /nfs/dbraw/zinc/94/77/28/558947728.db2.gz CIPBPHWACJXDSD-BLLLJJGKSA-N -1 1 409.490 2.688 40 0 HFABMM O=S(=O)([N-]c1cccc([C@@H]2CCc3nncn3C2)c1)c1ccc2c(c1)OCCO2 ZINC000019699074 558966565 /nfs/dbraw/zinc/96/65/65/558966565.db2.gz UCMHXMKKTVZKTJ-OAHLLOKOSA-N -1 1 412.471 2.580 40 0 HFABMM CCCSc1nc2c(c(=O)[n-]1)[C@@H](c1ccc(OC)c(OC)c1OC)CC(=O)N2 ZINC000004944354 560616357 /nfs/dbraw/zinc/61/63/57/560616357.db2.gz ZHPWSONPULQHBB-LLVKDONJSA-N -1 1 405.476 2.772 40 0 HFABMM CCCSc1nc2c(c(=O)[n-]1)[C@H](c1cc(OC)c(OC)c(OC)c1)CC(=O)N2 ZINC000004944351 560616433 /nfs/dbraw/zinc/61/64/33/560616433.db2.gz UYGVVTWEAIGBEA-NSHDSACASA-N -1 1 405.476 2.772 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1N1C(=O)CCC1=O ZINC000224752058 568595054 /nfs/dbraw/zinc/59/50/54/568595054.db2.gz PFYWDIPDNRSREK-UHFFFAOYSA-N -1 1 412.826 2.942 40 0 HFABMM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C(=O)OC)c3C)cc2sc1=O ZINC000225690930 568664675 /nfs/dbraw/zinc/66/46/75/568664675.db2.gz DOQBPQSADBHREF-UHFFFAOYSA-N -1 1 406.485 2.979 40 0 HFABMM O=C1CC2(CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)Oc2cc([O-])ccc21 ZINC000225819827 568677426 /nfs/dbraw/zinc/67/74/26/568677426.db2.gz WWXUZKHBYLKRLQ-UHFFFAOYSA-N -1 1 405.447 2.861 40 0 HFABMM COc1ccc(S(=O)(=O)N2CCC3(CC2)CC(=O)c2ccc([O-])cc2O3)cc1C ZINC000225819852 568677506 /nfs/dbraw/zinc/67/75/06/568677506.db2.gz BFXUEBIDFQCDIM-UHFFFAOYSA-N -1 1 417.483 2.898 40 0 HFABMM CS(=O)(=O)N1CCC(c2ccnc([N-]c3ncccc3C(F)(F)F)n2)CC1 ZINC000257231705 568785329 /nfs/dbraw/zinc/78/53/29/568785329.db2.gz GHXBTTZILDYUPU-UHFFFAOYSA-N -1 1 401.414 2.773 40 0 HFABMM O=C(CNC(=O)c1cncc([O-])c1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 ZINC000257319209 568810002 /nfs/dbraw/zinc/81/00/02/568810002.db2.gz VRHOKLISVCELBR-KRWDZBQOSA-N -1 1 420.469 2.502 40 0 HFABMM CC[C@@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040390545 523179708 /nfs/dbraw/zinc/17/97/08/523179708.db2.gz MARWDCIELBFVHS-CABCVRRESA-N -1 1 409.490 2.912 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388659 524432212 /nfs/dbraw/zinc/43/22/12/524432212.db2.gz XWWYXCLKWNGGRK-HLLBOEOZSA-N -1 1 423.517 2.934 40 0 HFABMM CC(=O)Nc1ccc(OCCCc2c(=O)[n-]c(NC(C)=O)nc2-c2ccccc2)cc1 ZINC000005663573 557667171 /nfs/dbraw/zinc/66/71/71/557667171.db2.gz CLVMNNXHJRBEFM-HXUWFJFHSA-N -1 1 420.469 2.942 40 0 HFABMM CCOC(=O)C1CCN(C(=O)c2cccc([N-]S(=O)(=O)c3ccccc3)c2)CC1 ZINC000013679109 558565543 /nfs/dbraw/zinc/56/55/43/558565543.db2.gz QMHUXNDIHYOFRR-UHFFFAOYSA-N -1 1 416.499 2.903 40 0 HFABMM O=S(=O)([N-]C[C@H]1OCCc2cn(Cc3ccccc3)nc21)c1cc(F)ccc1F ZINC000585111489 559030469 /nfs/dbraw/zinc/03/04/69/559030469.db2.gz BSUZOOLSAJANKO-GOSISDBHSA-N -1 1 419.453 2.802 40 0 HFABMM COc1ccc(C=C(Sc2n[nH]c(C)n2)C(=O)[O-])cc1I ZINC000409189207 560690987 /nfs/dbraw/zinc/69/09/87/560690987.db2.gz FTFUDXBGYKVFCE-WDZFZDKYSA-N -1 1 417.228 2.944 40 0 HFABMM COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1I ZINC000409189207 560690985 /nfs/dbraw/zinc/69/09/85/560690985.db2.gz FTFUDXBGYKVFCE-WDZFZDKYSA-N -1 1 417.228 2.944 40 0 HFABMM CC(=O)Cc1c(O)c(C(=O)[O-])c(C)c2c1OC(=O)c1c(C)cc(O)c(C=O)c1O2 ZINC000004090509 568942016 /nfs/dbraw/zinc/94/20/16/568942016.db2.gz IKCSHXHYFYMCLP-UHFFFAOYSA-N -1 1 400.339 2.682 40 0 biogenic HFABMM CCOc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(Nc3ccccc3)[n-]c(=O)c21 ZINC000040399181 521546223 /nfs/dbraw/zinc/54/62/23/521546223.db2.gz IDABMMSXIDRHER-CQSZACIVSA-N -1 1 419.441 2.977 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@H](C)C4)[n-]c(=O)c32)c1 ZINC000040388677 524154074 /nfs/dbraw/zinc/15/40/74/524154074.db2.gz XQWQKVRPWPSOJF-IJEWVQPXSA-N -1 1 423.517 2.934 40 0 HFABMM COc1ccc(Nc2nc3c(c(=O)[n-]2)[C@@H](C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000040399808 524719233 /nfs/dbraw/zinc/71/92/33/524719233.db2.gz DXQQKWQXSWADHJ-HNNXBMFYSA-N -1 1 419.441 2.895 40 0 HFABMM Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCCC[C@@H]4C)[n-]c(=O)c32)cc1C ZINC000040390339 525220162 /nfs/dbraw/zinc/22/01/62/525220162.db2.gz CUSWWPCOKVHGEX-HOCLYGCPSA-N -1 1 409.490 2.830 40 0 HFABMM CCCCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)OC)cc2)cc1 ZINC000408584274 557486868 /nfs/dbraw/zinc/48/68/68/557486868.db2.gz NSNRTHZUKSJXTJ-UHFFFAOYSA-N -1 1 421.471 2.996 40 0 HFABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)NC(C)C)c2)c1C ZINC000010009028 557853286 /nfs/dbraw/zinc/85/32/86/557853286.db2.gz SELQLRBDISXBAV-UHFFFAOYSA-N -1 1 420.487 2.729 40 0 HFABMM O=c1[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3Cc3ccccc3)cc2c(=O)[nH]1 ZINC000012117096 558328877 /nfs/dbraw/zinc/32/88/77/558328877.db2.gz FRUULBTYAKFASS-UHFFFAOYSA-N -1 1 407.451 2.608 40 0 HFABMM CCOC(=O)CCc1c(C)nc(Nc2nc(C)c3cccc(OCC)c3n2)[n-]c1=O ZINC000020673245 558398829 /nfs/dbraw/zinc/39/88/29/558398829.db2.gz QCGNOVLSSLHDOF-UHFFFAOYSA-N -1 1 411.462 2.968 40 0 HFABMM CC(C)[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445579 558885770 /nfs/dbraw/zinc/88/57/70/558885770.db2.gz SJQMNKUBFLNYCW-JOCHJYFZSA-N -1 1 420.469 2.659 40 0 HFABMM CCN1C(=O)N/C(=C/c2cc(OC)c([O-])c(Br)c2Br)C1=O ZINC000409221996 560698844 /nfs/dbraw/zinc/69/88/44/560698844.db2.gz ARGBGLZABPARHI-QPJJXVBHSA-N -1 1 420.057 2.838 40 0 HFABMM Cc1cc(=O)[n-]c(-n2nc3[nH]cc4c(c-3c2=O)C[C@@H](/C=C/c2ccccc2)CC4=O)n1 ZINC000013639673 560826222 /nfs/dbraw/zinc/82/62/22/560826222.db2.gz JXSNRLDJZZNVHN-MVGZEHJDSA-N -1 1 413.437 2.976 40 0 HFABMM Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4C[C@H](C)C[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223051331 568535716 /nfs/dbraw/zinc/53/57/16/568535716.db2.gz XWWYXCLKWNGGRK-BFYDXBDKSA-N -1 1 423.517 2.934 40 0 HFABMM CCc1ccccc1NC(=O)[C@@H]1CC(=O)Nc2nc(N3C[C@H](C)C[C@@H](C)C3)[n-]c(=O)c21 ZINC000223050805 568535729 /nfs/dbraw/zinc/53/57/29/568535729.db2.gz XQXLQOPTOBLMDA-IIAWOOMASA-N -1 1 423.517 2.879 40 0 HFABMM Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)Nc3nc(N4CCC[C@@H](C)C4)[n-]c(=O)c32)c1 ZINC000223054958 568535788 /nfs/dbraw/zinc/53/57/88/568535788.db2.gz SDFAVGABCCOYIY-HIFRSBDPSA-N -1 1 409.490 2.688 40 0 HFABMM NC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 ZINC000223264959 568543344 /nfs/dbraw/zinc/54/33/44/568543344.db2.gz AFWIHIJPPKEJQK-UHFFFAOYSA-N -1 1 421.478 2.789 40 0 HFABMM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)n2)c1 ZINC000223767778 568558536 /nfs/dbraw/zinc/55/85/36/568558536.db2.gz JDLZEJVYMLDYOB-UHFFFAOYSA-N -1 1 409.851 2.886 40 0 HFABMM COC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cc1 ZINC000223794241 568559400 /nfs/dbraw/zinc/55/94/00/568559400.db2.gz TWLULQKZYQEHEZ-UHFFFAOYSA-N -1 1 400.456 2.573 40 0 HFABMM CCn1c2ccc([N-]S(=O)(=O)c3ccc4c(c3)CCN4C(C)=O)cc2sc1=O ZINC000225122588 568615725 /nfs/dbraw/zinc/61/57/25/568615725.db2.gz OGYUJXVOGKTOCS-UHFFFAOYSA-N -1 1 417.512 2.793 40 0 HFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)c(C)c1 ZINC000225677326 568663298 /nfs/dbraw/zinc/66/32/98/568663298.db2.gz GZCBHOUDJFXRKJ-UHFFFAOYSA-N -1 1 406.485 2.886 40 0 HFABMM COc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)N(C)C)cc2)cc1Br ZINC000022134297 569065922 /nfs/dbraw/zinc/06/59/22/569065922.db2.gz IJPDXFKQGBGMOP-UHFFFAOYSA-N -1 1 413.293 2.960 40 0 HFABMM COc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@]1(C)O ZINC000248133235 569316448 /nfs/dbraw/zinc/31/64/48/569316448.db2.gz LNGXDEQYOTWJKC-JLMWRMLUSA-N -1 1 409.442 2.523 40 0 HFABMM O=S(=O)(NC[C@H]1C[C@@H]2CC[N@@H+]1C[C@@H]2CN1CCc2ccccc21)c1cccs1 ZINC000008635721 291230140 /nfs/dbraw/zinc/23/01/40/291230140.db2.gz OKBJCVAHQCERCU-IPMKNSEASA-N -1 1 417.600 2.800 40 0 biogenic,in-vitro HFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000040399997 524649435 /nfs/dbraw/zinc/64/94/35/524649435.db2.gz AGCNOEHYRVXEAN-CYBMUJFWSA-N -1 1 419.441 2.895 40 0 HFABMM COc1ccccc1Nc1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccccc1)CC(=O)N2 ZINC000040399988 524649470 /nfs/dbraw/zinc/64/94/70/524649470.db2.gz PPWJOAZSXDZSKV-CYBMUJFWSA-N -1 1 405.414 2.587 40 0 HFABMM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1C(=O)N1CCCC1 ZINC000408609412 557532754 /nfs/dbraw/zinc/53/27/54/557532754.db2.gz SVFQVUBICOVQAN-UHFFFAOYSA-N -1 1 402.472 2.803 40 0 HFABMM CC(C)[C@@H](NC(=O)[C@H]1OCCc2ccccc21)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445575 558885721 /nfs/dbraw/zinc/88/57/21/558885721.db2.gz FGFAKICJMKHSHQ-RTWAWAEBSA-N -1 1 404.470 2.959 40 0 HFABMM CC(C)[C@H](NC(=O)[C@@H]1OCCc2ccccc21)c1cc(=O)[n-]c(-c2ccccn2)n1 ZINC000019445573 558885796 /nfs/dbraw/zinc/88/57/96/558885796.db2.gz FGFAKICJMKHSHQ-LEWJYISDSA-N -1 1 404.470 2.959 40 0 HFABMM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)CN(C(=O)C1CCCC1)CC2 ZINC000019463421 558894447 /nfs/dbraw/zinc/89/44/47/558894447.db2.gz BHADDIBQJYLPIB-IDHHARJASA-N -1 1 412.534 2.554 40 0 HFABMM COc1ccc(C(=O)N2CCC(c3cc(=O)[n-]c(-c4ccccn4)n3)CC2)cc1OC ZINC000019559823 558920913 /nfs/dbraw/zinc/92/09/13/558920913.db2.gz KUMWRUADZPWCAM-UHFFFAOYSA-N -1 1 420.469 2.869 40 0 HFABMM CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3nc(N4CCC[C@H](C)C4)[n-]c(=O)c32)cc1 ZINC000040388774 558945553 /nfs/dbraw/zinc/94/55/53/558945553.db2.gz LXSBBLMXCSPXRK-XJKSGUPXSA-N -1 1 409.490 2.633 40 0 HFABMM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)N3CCN(C)CC3)ccc2C)c1 ZINC000409410535 560721335 /nfs/dbraw/zinc/72/13/35/560721335.db2.gz XXVUNCQFJHNFQW-UHFFFAOYSA-N -1 1 401.532 2.800 40 0 HFABMM COc1ccccc1NC(=O)[C@@H]1[C@@H](c2ccc(O)cc2)c2c([n-][nH]c2=O)C[C@@]1(C)O ZINC000015105978 560853844 /nfs/dbraw/zinc/85/38/44/560853844.db2.gz LNGXDEQYOTWJKC-LQBOVUBWSA-N -1 1 409.442 2.523 40 0 HFABMM CCc1cc(S(=O)(=O)[N-]c2cc(C(=O)OC)cc(C(=O)OC)c2)ccc1OC ZINC000223686970 568556361 /nfs/dbraw/zinc/55/63/61/568556361.db2.gz HEOVYKIAEUBIRQ-UHFFFAOYSA-N -1 1 407.444 2.632 40 0 HFABMM CCOC(=O)c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)c(C)c1 ZINC000223845132 568560698 /nfs/dbraw/zinc/56/06/98/568560698.db2.gz SLACOZREDFBTCW-UHFFFAOYSA-N -1 1 402.472 2.882 40 0 HFABMM CCn1c2ccc([N-]S(=O)(=O)c3cc(C(=O)OC)ccc3C)cc2sc1=O ZINC000225122487 568615708 /nfs/dbraw/zinc/61/57/08/568615708.db2.gz ZQIODAQBNCMIDC-UHFFFAOYSA-N -1 1 406.485 2.979 40 0 HFABMM COC(=O)c1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)c1C ZINC000225259079 568626383 /nfs/dbraw/zinc/62/63/83/568626383.db2.gz XJJREMYTKJTUIB-UHFFFAOYSA-N -1 1 414.483 2.882 40 0 HFABMM COc1cc([C@H]2c3c(=O)[nH][n-]c3C[C@@](C)(O)[C@H]2C(=O)OCc2ccccc2)ccc1O ZINC000009408885 569324775 /nfs/dbraw/zinc/32/47/75/569324775.db2.gz QIODCYBHARFFQT-JXHRLWIKSA-N -1 1 424.453 2.628 40 0 HFABMM COc1cc(/C=C2/C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000005815349 569328958 /nfs/dbraw/zinc/32/89/58/569328958.db2.gz AJQGDEIRNUIGRN-UHFFFAOYSA-N -1 1 400.818 2.985 40 0 HFABMM COc1cc(/C=C2\C(=O)[N-]C(=O)NC2=O)cc(Cl)c1OCc1cccc(C)c1 ZINC000005815349 569328960 /nfs/dbraw/zinc/32/89/60/569328960.db2.gz AJQGDEIRNUIGRN-UHFFFAOYSA-N -1 1 400.818 2.985 40 0 HFABMM CC[C@H]1CCCCN1c1nc2c(c(=O)[n-]1)[C@H](C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000139107230 569354329 /nfs/dbraw/zinc/35/43/29/569354329.db2.gz BGPGDASDUQUHRJ-JKSUJKDBSA-N -1 1 409.490 2.912 40 0 HFABMM O=S(=O)([O-])c1ccc(NN=c2cc(C(F)(F)F)nc(NC3CCCC3)[nH]2)cc1 ZINC000329018393 571308166 /nfs/dbraw/zinc/30/81/66/571308166.db2.gz NRIJEFIKTRHCSO-UHFFFAOYSA-N -1 1 417.413 3.536 40 0 HFABMM