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)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccccc3Cl)cc2)S1 ZINC000020895591 519643342 /nfs/dbraw/zinc/64/33/42/519643342.db2.gz KPPCDHLYIMYXOD-LJQANCHMSA-N -1 3 433.917 3.799 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCCOc3cccc(C)c3)c2)S1 ZINC000020896541 519643659 /nfs/dbraw/zinc/64/36/59/519643659.db2.gz SSPHGQMFBZCBPQ-OAQYLSRUSA-N -1 3 427.526 3.844 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCOc3cc(C)ccc3C)c2)S1 ZINC000020896514 519643681 /nfs/dbraw/zinc/64/36/81/519643681.db2.gz CQKZMYIRQBZFSZ-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)Nc1cccc(NC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)c1 ZINC000012364435 519743901 /nfs/dbraw/zinc/74/39/01/519743901.db2.gz QUYOXXAJFPUEIA-UHFFFAOYSA-N -1 3 442.324 3.645 50 0 IHAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(C)c2)CC1 ZINC000022853499 520582960 /nfs/dbraw/zinc/58/29/60/520582960.db2.gz PROBWPJLHIIKBT-GOSISDBHSA-N -1 3 428.558 3.732 50 0 IHAAHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1[O-] ZINC000012464192 520784609 /nfs/dbraw/zinc/78/46/09/520784609.db2.gz FFBMJIMMXPIMNS-QGZVFWFLSA-N -1 3 446.301 3.820 50 0 IHAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000020895785 520784826 /nfs/dbraw/zinc/78/48/26/520784826.db2.gz XBBYARMVPPTYLZ-HXUWFJFHSA-N -1 3 441.509 3.614 50 0 IHAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)c2ccc(F)cc2Cl)oc(C)c1C(C)=O ZINC000013121257 521408129 /nfs/dbraw/zinc/40/81/29/521408129.db2.gz IUWXNSHSFNIIMK-UHFFFAOYSA-N -1 3 425.796 3.555 50 0 IHAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2cc(-c3noc(C)n3)sc2C)c(OC)c1 ZINC000035539207 522529359 /nfs/dbraw/zinc/52/93/59/522529359.db2.gz KTKXOVSSLFTMSO-UHFFFAOYSA-N -1 3 429.907 3.886 50 0 IHAAHM CCc1nc2sc([C@@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854044 522536380 /nfs/dbraw/zinc/53/63/80/522536380.db2.gz DHZVWPRUDCMESC-MRXNPFEDSA-N -1 3 434.949 3.641 50 0 IHAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)cc(Cl)c1OCc1ccccc1 ZINC000020895490 522933001 /nfs/dbraw/zinc/93/30/01/522933001.db2.gz ICJJMOVZTVQTCB-IBGZPJMESA-N -1 3 433.917 3.929 50 0 IHAAHM COc1cccc2c([C@@H](C(=O)[O-])N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c[nH]c21 ZINC000020726536 524201067 /nfs/dbraw/zinc/20/10/67/524201067.db2.gz TZCMVLHUXVKZHM-IBGZPJMESA-N -1 3 434.418 3.538 50 0 IHAAHM COc1ccccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000012371781 524664979 /nfs/dbraw/zinc/66/49/79/524664979.db2.gz YZTYTLYTUWACDD-UHFFFAOYSA-N -1 3 430.457 3.653 50 0 IHAAHM Cc1ccccc1-c1nc2cc(=O)[n-]n2c(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 ZINC000021911241 525014071 /nfs/dbraw/zinc/01/40/71/525014071.db2.gz CEHQMLMYIJSWSS-KRWDZBQOSA-N -1 3 447.564 3.623 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)c2)cc1 ZINC000012605288 525303863 /nfs/dbraw/zinc/30/38/63/525303863.db2.gz BFDGREPCUILVGF-QHCPKHFHSA-N -1 3 437.565 3.829 50 0 IHAAHM CSc1cccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccc(C)cc2)c1 ZINC000012462134 526114867 /nfs/dbraw/zinc/11/48/67/526114867.db2.gz ALSINGWJWQVCEG-UHFFFAOYSA-N -1 3 437.550 3.870 50 0 biogenic,in-vitro IHAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](C)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000012456460 526555165 /nfs/dbraw/zinc/55/51/65/526555165.db2.gz UTEXDPBWSYUYLB-HNNXBMFYSA-N -1 3 449.598 3.731 50 0 IHAAHM O=S(=O)([N-]Cc1ccccc1CN1CCOCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000012858702 527231458 /nfs/dbraw/zinc/23/14/58/527231458.db2.gz APOLREDHSAJXDV-UHFFFAOYSA-N -1 3 448.894 3.670 50 0 IHAAHM O=S(=O)([N-]Cc1cccc(Br)c1)c1cc(-c2noc(C3CC3)n2)cs1 ZINC000035557074 527231936 /nfs/dbraw/zinc/23/19/36/527231936.db2.gz MQHXJTQGRNFHBF-UHFFFAOYSA-N -1 3 440.344 3.917 50 0 IHAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012769416 527417048 /nfs/dbraw/zinc/41/70/48/527417048.db2.gz YUJFPJSFALOGEV-LJQANCHMSA-N -1 3 444.516 3.593 50 0 IHAAHM O=C([N-]c1nnc(SCc2nnc(-c3ccc4c(c3)OCO4)o2)s1)c1cccs1 ZINC000021359321 527535893 /nfs/dbraw/zinc/53/58/93/527535893.db2.gz GCSUJBGPXQSYKW-UHFFFAOYSA-N -1 3 445.507 3.923 50 0 IHAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)C(C)(C)C)cc(Br)c1[O-] ZINC000000844387 555568770 /nfs/dbraw/zinc/56/87/70/555568770.db2.gz BAOKMQXGGXJCFB-BMIGLBTASA-N -1 3 441.322 3.769 50 0 IHAAHM CCOC(=O)[C@]([N-]c1cccc(C)c1)(NS(=O)(=O)c1ccc(C)cc1)C(F)(F)F ZINC000003103628 555887468 /nfs/dbraw/zinc/88/74/68/555887468.db2.gz DHZKYQSWQFQBLI-SFHVURJKSA-N -1 3 430.448 3.516 50 0 IHAAHM COc1cc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCC[C@H](C)C2)cc(OC)c1OC ZINC000034913874 555930038 /nfs/dbraw/zinc/93/00/38/555930038.db2.gz LLIIRNMRYDHBER-SJCJKPOMSA-N -1 3 432.546 3.652 50 0 IHAAHM CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]OCc2ccccc2)c(Cl)cc1Cl ZINC000002791624 556143962 /nfs/dbraw/zinc/14/39/62/556143962.db2.gz FVINWNFBOUMBRV-UHFFFAOYSA-N -1 3 431.341 3.886 50 0 IHAAHM Cc1cc(C)c(C)c2[nH]c(C(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)cc21 ZINC000013012245 556436249 /nfs/dbraw/zinc/43/62/49/556436249.db2.gz OXVCJFZRLZXLCW-UHFFFAOYSA-N -1 3 431.583 3.738 50 0 IHAAHM COCCOC(=O)c1sc2[n-]c(CN[C@@H](C)c3ccccc3Cl)nc(=O)c2c1C ZINC000013040151 556445920 /nfs/dbraw/zinc/44/59/20/556445920.db2.gz VXPDQRZRVTXODN-LBPRGKRZSA-N -1 3 435.933 3.600 50 0 IHAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc2[nH]c(-c3ccco3)nc2c1 ZINC000072278443 556461071 /nfs/dbraw/zinc/46/10/71/556461071.db2.gz LOSJTVALDIYUQC-UHFFFAOYSA-N -1 3 440.463 3.848 50 0 IHAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 ZINC000072278443 556461074 /nfs/dbraw/zinc/46/10/74/556461074.db2.gz LOSJTVALDIYUQC-UHFFFAOYSA-N -1 3 440.463 3.848 50 0 IHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(F)cc2F)c(Br)c1 ZINC000029940070 556487041 /nfs/dbraw/zinc/48/70/41/556487041.db2.gz HGBAYCHLWDHBJE-JTQLQIEISA-N -1 3 448.285 3.944 50 0 IHAAHM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)cc2)CC1 ZINC000033274729 556559167 /nfs/dbraw/zinc/55/91/67/556559167.db2.gz KNDUFHIYHRCKJG-UHFFFAOYSA-N -1 3 430.570 3.597 50 0 IHAAHM O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000032962143 556581195 /nfs/dbraw/zinc/58/11/95/556581195.db2.gz UUAIUGLUWQTSGA-UHFFFAOYSA-N -1 3 443.569 3.640 50 0 IHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 ZINC000011707253 556629310 /nfs/dbraw/zinc/62/93/10/556629310.db2.gz WJNRJMBQPALURQ-UHFFFAOYSA-N -1 3 446.532 3.841 50 0 IHAAHM CCc1nn2c(ncc3c2ccn([N-]C(=O)c2ccncc2)c3=O)c1-c1ccc(Cl)cc1 ZINC000040397515 556639691 /nfs/dbraw/zinc/63/96/91/556639691.db2.gz BOBSLBUNYSAEPE-UHFFFAOYSA-N -1 3 444.882 3.706 50 0 IHAAHM O=C(COc1ccc(Cl)c2ccccc12)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000058423790 556787748 /nfs/dbraw/zinc/78/77/48/556787748.db2.gz QAPVNDCWVCOZLP-UHFFFAOYSA-N -1 3 446.912 3.756 50 0 IHAAHM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1cc(C)ccc1Cl ZINC000097940877 556811766 /nfs/dbraw/zinc/81/17/66/556811766.db2.gz BFXXEIZHWJSJLP-UHFFFAOYSA-N -1 3 448.932 3.977 50 0 IHAAHM O=C(CCc1nc(CSc2nnc(-c3ccco3)[n-]2)no1)Nc1ccc(Cl)cc1 ZINC000033087451 556857594 /nfs/dbraw/zinc/85/75/94/556857594.db2.gz OGBLYKJCDTYDDM-UHFFFAOYSA-N -1 3 430.877 3.965 50 0 IHAAHM O=C(CCc1nc(CSc2nc(-c3ccco3)n[n-]2)no1)Nc1ccc(Cl)cc1 ZINC000033087451 556857597 /nfs/dbraw/zinc/85/75/97/556857597.db2.gz OGBLYKJCDTYDDM-UHFFFAOYSA-N -1 3 430.877 3.965 50 0 IHAAHM O=C(CCc1nc(CSc2n[n-]c(-c3ccco3)n2)no1)Nc1ccc(Cl)cc1 ZINC000033087451 556857600 /nfs/dbraw/zinc/85/76/00/556857600.db2.gz OGBLYKJCDTYDDM-UHFFFAOYSA-N -1 3 430.877 3.965 50 0 IHAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2CC(=O)N1CCCC1 ZINC000033129791 556869202 /nfs/dbraw/zinc/86/92/02/556869202.db2.gz DSNFIVZVYIEFRQ-UHFFFAOYSA-N -1 3 445.560 3.655 50 0 IHAAHM Cc1ccc(F)c(N2CCC([N-]S(=O)(=O)c3ccc(F)cc3Br)CC2)c1 ZINC000097163891 556994134 /nfs/dbraw/zinc/99/41/34/556994134.db2.gz VTTXOUBHFFFCEH-UHFFFAOYSA-N -1 3 445.329 3.983 50 0 IHAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3c2nc[n-]c3=O)cc1 ZINC000020394349 557013089 /nfs/dbraw/zinc/01/30/89/557013089.db2.gz JKLMXYXXRACNQG-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 IHAAHM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC(C)CC2)cc(OC)c1OC ZINC000023157956 557030803 /nfs/dbraw/zinc/03/08/03/557030803.db2.gz MBCKHKWCAOWTED-QGZVFWFLSA-N -1 3 432.546 3.652 50 0 IHAAHM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC[C@@H](C)C2)cc(OC)c1OC ZINC000023157950 557030820 /nfs/dbraw/zinc/03/08/20/557030820.db2.gz LLIIRNMRYDHBER-SJKOYZFVSA-N -1 3 432.546 3.652 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074723 557030925 /nfs/dbraw/zinc/03/09/25/557030925.db2.gz BNDLFGWPWJTOQQ-GOSISDBHSA-N -1 3 448.548 3.998 50 0 IHAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(F)c2)CC(=O)N3)c1 ZINC000046074812 557031038 /nfs/dbraw/zinc/03/10/38/557031038.db2.gz FUMLGKIUYDQBDE-INIZCTEOSA-N -1 3 438.484 3.574 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000046074959 557031518 /nfs/dbraw/zinc/03/15/18/557031518.db2.gz ZSITWJUYHALNMR-SFHVURJKSA-N -1 3 448.548 3.998 50 0 IHAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000046075495 557031936 /nfs/dbraw/zinc/03/19/36/557031936.db2.gz RIVRKNVGYUILRK-MRXNPFEDSA-N -1 3 434.521 3.744 50 0 IHAAHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1Cl)N1CCCCC1 ZINC000048287653 557053211 /nfs/dbraw/zinc/05/32/11/557053211.db2.gz KBBFJOMMOOFHRS-SFHVURJKSA-N -1 3 426.941 3.993 50 0 IHAAHM CC(C)n1c(S[C@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc2ccccc2c1=O ZINC000023222866 557074573 /nfs/dbraw/zinc/07/45/73/557074573.db2.gz WCZCNPTYAJJCEA-CQSZACIVSA-N -1 3 445.566 3.712 50 0 IHAAHM COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c(OC)c1[O-] ZINC000072191452 557099746 /nfs/dbraw/zinc/09/97/46/557099746.db2.gz FXSZPURVJFDXEN-UHFFFAOYSA-N -1 3 425.466 3.926 50 0 IHAAHM CCN1CCC[C@H]1CNC(=O)c1cc2ccccc2cc1[N-]S(=O)(=O)c1cccs1 ZINC000049612992 557115536 /nfs/dbraw/zinc/11/55/36/557115536.db2.gz VLWIXOBSKWNXCX-SFHVURJKSA-N -1 3 443.594 3.916 50 0 IHAAHM CCOC(=O)c1sc2[n-]c([C@H](C)Sc3nncn3-c3ccccc3)nc(=O)c2c1C ZINC000011427746 557146748 /nfs/dbraw/zinc/14/67/48/557146748.db2.gz UFLBTMGNGXEFHE-LBPRGKRZSA-N -1 3 441.538 3.904 50 0 IHAAHM COc1cccc(Cc2c(C)nc(CN(Cc3ccco3)C(=O)NC(C)(C)C)[n-]c2=O)c1 ZINC000096317890 557199182 /nfs/dbraw/zinc/19/91/82/557199182.db2.gz MUJWYXFWBWLXKE-UHFFFAOYSA-N -1 3 438.528 3.781 50 0 IHAAHM CCOC(=O)c1cnn(-c2cccc(NC(=O)c3ccc4n[n-]nc4c3)c2)c1C(F)(F)F ZINC000027359680 557261046 /nfs/dbraw/zinc/26/10/46/557261046.db2.gz JJWSSCJFZNXVJB-UHFFFAOYSA-N -1 3 444.373 3.591 50 0 IHAAHM CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101180472 557262768 /nfs/dbraw/zinc/26/27/68/557262768.db2.gz IZFKBBWLZQVYJB-ZRBLBEILSA-N -1 3 445.450 3.835 50 0 IHAAHM Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C32)cc1 ZINC000103588268 557439893 /nfs/dbraw/zinc/43/98/93/557439893.db2.gz HSCXWVCBXQDGDC-DNVJHFABSA-N -1 3 443.478 3.702 50 0 IHAAHM CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1 ZINC000226807831 557809093 /nfs/dbraw/zinc/80/90/93/557809093.db2.gz IZFKBBWLZQVYJB-YTFSRNRJSA-N -1 3 445.450 3.835 50 0 IHAAHM O=C([O-])c1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000004295725 562943108 /nfs/dbraw/zinc/94/31/08/562943108.db2.gz MDYBRCHPMKMXDC-NJDAHSKKSA-N -1 3 432.407 3.575 50 0 IHAAHM COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000006576904 562947314 /nfs/dbraw/zinc/94/73/14/562947314.db2.gz KGEQGIAXPBGPBH-VSKRKVRLSA-N -1 3 434.423 3.591 50 0 IHAAHM O=S(=O)([N-]Cc1ccccc1CN1CCCC1)c1cc(Br)ccc1F ZINC000084505916 568798426 /nfs/dbraw/zinc/79/84/26/568798426.db2.gz NCPSJPFRUJMLJZ-UHFFFAOYSA-N -1 3 427.339 3.663 50 0 IHAAHM O=C1CCSc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc2N1 ZINC000015728391 568813157 /nfs/dbraw/zinc/81/31/57/568813157.db2.gz YGRFPMYAEJALQC-UHFFFAOYSA-N -1 3 431.308 3.823 50 0 IHAAHM C[C@@H]1CSc2ccc(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)cc2NC1=O ZINC000015731212 568814553 /nfs/dbraw/zinc/81/45/53/568814553.db2.gz LMSCSULAGPYULT-OAHLLOKOSA-N -1 3 431.583 3.764 50 0 IHAAHM Cc1ccc(NC(=O)c2nnc(C[N-]S(=O)(=O)c3c(C)cc(C)cc3C)s2)cc1 ZINC000064991587 569084605 /nfs/dbraw/zinc/08/46/05/569084605.db2.gz FMPDLIBLEPOLKT-UHFFFAOYSA-N -1 3 430.555 3.503 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)c2ncccc2O3)c(C)c1 ZINC000065241552 569118799 /nfs/dbraw/zinc/11/87/99/569118799.db2.gz WIPGFSTYTRLMLF-UHFFFAOYSA-N -1 3 425.466 3.582 50 0 IHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCS3(=O)=O)cc2)c2ccccc12 ZINC000170592635 569141091 /nfs/dbraw/zinc/14/10/91/569141091.db2.gz BINXYEOEKFVNPH-UHFFFAOYSA-N -1 3 446.550 3.579 50 0 IHAAHM COc1cccc2c(=O)c(C)c(C(=O)N[C@@H](C)Cc3ccccc3Br)[n-]c12 ZINC000170610342 569144913 /nfs/dbraw/zinc/14/49/13/569144913.db2.gz FWQVSKWPBDGDOD-LBPRGKRZSA-N -1 3 429.314 3.969 50 0 IHAAHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)COc1c(Br)cccc1Br ZINC000252475096 569185660 /nfs/dbraw/zinc/18/56/60/569185660.db2.gz 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COc1ccccc1N1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000012324166 524559182 /nfs/dbraw/zinc/55/91/82/524559182.db2.gz DQRBNRZPINYZHN-FQEVSTJZSA-N -1 3 444.329 3.887 50 0 IHAAHM C[C@H](NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621467 525130073 /nfs/dbraw/zinc/13/00/73/525130073.db2.gz QIWVAKXXLGRKRW-HRAATJIYSA-N -1 3 444.503 3.732 50 0 IHAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000020737393 525494339 /nfs/dbraw/zinc/49/43/39/525494339.db2.gz PEABIIVPQAZMGJ-LJQANCHMSA-N -1 3 434.418 3.538 50 0 IHAAHM Cc1ccc([C@@H](NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)c2cccs2)cc1 ZINC000022328292 525770111 /nfs/dbraw/zinc/77/01/11/525770111.db2.gz FPHLXIUSFHWRIX-MGPUTAFESA-N -1 3 432.542 3.768 50 0 IHAAHM Cc1c([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000012630683 525872257 /nfs/dbraw/zinc/87/22/57/525872257.db2.gz CSGYUKPSJWFUOA-UHFFFAOYSA-N -1 3 445.850 3.957 50 0 IHAAHM 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443.960 3.861 50 0 IHAAHM O=C(c1cccs1)N1CCN(Cc2nc(=O)c3cc(-c4ccccc4)sc3[n-]2)CC1 ZINC000013117528 556470177 /nfs/dbraw/zinc/47/01/77/556470177.db2.gz MKJXAJGSPSFBNX-UHFFFAOYSA-N -1 3 436.562 3.671 50 0 IHAAHM CCSc1nnc([N-]C(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)s1 ZINC000013141143 556486366 /nfs/dbraw/zinc/48/63/66/556486366.db2.gz HVZJIGPMQKZWDC-UHFFFAOYSA-N -1 3 434.996 3.586 50 0 IHAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCN(c2ccccc2)CC1 ZINC000015345782 556522257 /nfs/dbraw/zinc/52/22/57/556522257.db2.gz CDABFOQHCZRKJI-UHFFFAOYSA-N -1 3 439.512 3.589 50 0 IHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1C ZINC000033115319 556554895 /nfs/dbraw/zinc/55/48/95/556554895.db2.gz RXGRRSYKWSAQSE-NRFANRHFSA-N -1 3 442.581 3.739 50 0 IHAAHM Cc1ccc2cc(COC(=O)C[N-]S(=O)(=O)c3ccccc3F)c(Cl)nc2c1C ZINC000008728448 556843817 /nfs/dbraw/zinc/84/38/17/556843817.db2.gz WMTZZCUWGUXEIH-UHFFFAOYSA-N -1 3 436.892 3.666 50 0 IHAAHM 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50 0 IHAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)c2)n1 ZINC000040145471 569492151 /nfs/dbraw/zinc/49/21/51/569492151.db2.gz JIWPAJJUUDLACD-UHFFFAOYSA-N -1 3 448.498 3.629 50 0 IHAAHM CCCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc2OCC(C)(C)C1=O ZINC000009167808 569509108 /nfs/dbraw/zinc/50/91/08/569509108.db2.gz BILHRFVXPPGFBO-UHFFFAOYSA-N -1 3 432.542 3.966 50 0 IHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CC)C(=O)C(C)(C)CO3)cc1C ZINC000009170755 569509326 /nfs/dbraw/zinc/50/93/26/569509326.db2.gz XPSAOPRCBFBGJJ-UHFFFAOYSA-N -1 3 432.542 3.966 50 0 IHAAHM O=C(Nc1ccc(Cl)cc1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000009509529 569542558 /nfs/dbraw/zinc/54/25/58/569542558.db2.gz AKBBRPVOKXOHGW-OAHLLOKOSA-N -1 3 429.325 3.703 50 0 IHAAHM CCCCN1C(=O)c2ccc(C(=O)Nc3nnc(SCc4ccccc4)[n-]3)cc2C1=O ZINC000009515292 569543321 /nfs/dbraw/zinc/54/33/21/569543321.db2.gz PNHGWPFLMOHIGV-UHFFFAOYSA-N -1 3 435.509 3.745 50 0 IHAAHM CCCCN1C(=O)c2ccc(C(=O)Nc3nc(SCc4ccccc4)n[n-]3)cc2C1=O 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CCOC(=O)C1CCN([C@@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)CC1 ZINC000022626261 520579715 /nfs/dbraw/zinc/57/97/15/520579715.db2.gz VCBAANHWUWEIGG-GOSISDBHSA-N -1 3 444.557 3.568 50 0 IHAAHM CCc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccc(Br)cc3)c2)no1 ZINC000021702174 522152995 /nfs/dbraw/zinc/15/29/95/522152995.db2.gz OUFLZKIJKBJGQH-UHFFFAOYSA-N -1 3 428.333 3.602 50 0 IHAAHM COc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3C)cc2)nc(C)n1 ZINC000012226233 522770843 /nfs/dbraw/zinc/77/08/43/522770843.db2.gz LLWPTUABIVIWBK-UHFFFAOYSA-N -1 3 428.514 3.963 50 0 IHAAHM COc1ccc(-c2csc([N-]C(=O)c3nc4nccc(C)n4n3)n2)cc1Br ZINC000012926965 523170451 /nfs/dbraw/zinc/17/04/51/523170451.db2.gz HOSGKICUHHAREA-UHFFFAOYSA-N -1 3 445.302 3.580 50 0 IHAAHM CCn1c(SCc2nc(=O)c3c(C)c(C(C)=O)sc3[n-]2)nnc1-c1ccoc1C ZINC000012690300 523243017 /nfs/dbraw/zinc/24/30/17/523243017.db2.gz BEVAPYIJHGNDJF-UHFFFAOYSA-N -1 3 429.527 3.968 50 0 IHAAHM Cc1cc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)ccc1Br ZINC000012775999 525213778 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COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc(Br)c1[O-] ZINC000001110249 555631114 /nfs/dbraw/zinc/63/11/14/555631114.db2.gz CDHGSBFWOGVDBV-KRWDZBQOSA-N -1 3 446.301 3.738 50 0 IHAAHM CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc(Br)c1[O-] ZINC000001170939 555666425 /nfs/dbraw/zinc/66/64/25/555666425.db2.gz ONBLJPMYJKPZAU-RFAUZJTJSA-N -1 3 427.295 3.523 50 0 IHAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc(Br)c1[O-] ZINC000001189369 555675541 /nfs/dbraw/zinc/67/55/41/555675541.db2.gz QHVLGRGQRDCCRF-QGZVFWFLSA-N -1 3 447.285 3.535 50 0 IHAAHM COCc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241201 556082043 /nfs/dbraw/zinc/08/20/43/556082043.db2.gz RRMSPNKGBOSWLD-HNAYVOBHSA-N -1 3 447.557 3.649 50 0 IHAAHM COc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)cc1 ZINC000002717850 556131241 /nfs/dbraw/zinc/13/12/41/556131241.db2.gz PGUNQOBYSLLEET-UHFFFAOYSA-N -1 3 441.900 3.914 50 0 IHAAHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2)c1ccccc1 ZINC000008691519 556200524 /nfs/dbraw/zinc/20/05/24/556200524.db2.gz POFLBRDUUZVHIQ-PZJWPPBQSA-N -1 3 429.863 3.957 50 0 aggregator IHAAHM CC(C)CN(CC(C)C)S(=O)(=O)c1ccc([N-]S(=O)(=O)Cc2ccccc2)cc1 ZINC000009096310 556247044 /nfs/dbraw/zinc/24/70/44/556247044.db2.gz ZWEKOWRNRQRTMW-UHFFFAOYSA-N -1 3 438.615 3.931 50 0 IHAAHM CC[C@@H](C)N1C(=O)S/C(=C\c2cc(I)c([O-])c(OC)c2)C1=O ZINC000013881463 556326294 /nfs/dbraw/zinc/32/62/94/556326294.db2.gz RSUFHGZXWVBOEV-HLPMDPMVSA-N -1 3 433.267 3.840 50 0 IHAAHM COc1cc(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cc(Cl)c1OCC(C)C ZINC000014371208 556414950 /nfs/dbraw/zinc/41/49/50/556414950.db2.gz SMHOBQPZSUCVMR-UHFFFAOYSA-N -1 3 435.933 3.954 50 0 IHAAHM O=C(c1cccs1)N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000013063161 556451757 /nfs/dbraw/zinc/45/17/57/556451757.db2.gz KUXYLJVIKSSDCI-UHFFFAOYSA-N -1 3 436.562 3.671 50 0 IHAAHM Cc1c([O-])ccc2c(COC(=O)c3ccccc3SCC(=O)NC(C)C)cc(=O)oc12 ZINC000013068903 556452596 /nfs/dbraw/zinc/45/25/96/556452596.db2.gz 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446.345 3.932 50 0 IHAAHM O=C(NC1CC1)c1cccnc1Oc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000065063619 569097627 /nfs/dbraw/zinc/09/76/27/569097627.db2.gz SLMRLRNWQGPNQI-UHFFFAOYSA-N -1 3 427.457 3.706 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC4CC4)cn3)cc2)cc1 ZINC000065063365 569097845 /nfs/dbraw/zinc/09/78/45/569097845.db2.gz ZPJRAJDBFNLPCO-UHFFFAOYSA-N -1 3 439.493 3.576 50 0 IHAAHM COC(=O)c1cc(C)nc2nc(SCc3cc(Cl)c4c(c3)OCCCO4)[n-]c(=O)c12 ZINC000065620999 569140302 /nfs/dbraw/zinc/14/03/02/569140302.db2.gz PULIQAZVFSDEMA-UHFFFAOYSA-N -1 3 447.900 3.520 50 0 IHAAHM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccccc1 ZINC000017191382 569175847 /nfs/dbraw/zinc/17/58/47/569175847.db2.gz FNKQEONVVNDUQP-UHFFFAOYSA-N -1 3 428.535 3.629 50 0 IHAAHM COC(=O)[C@]([N-]c1ccc(OC(F)(F)Cl)cc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000002192045 569190526 /nfs/dbraw/zinc/19/05/26/569190526.db2.gz ZUAIOGAODNMFMT-AWEZNQCLSA-N -1 3 442.724 3.721 50 0 IHAAHM 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ZINC000096117419 569384110 /nfs/dbraw/zinc/38/41/10/569384110.db2.gz JPMWACCJTQWRAC-SFHVURJKSA-N -1 3 427.555 3.822 50 0 IHAAHM CCOc1ccccc1NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000096399478 569400023 /nfs/dbraw/zinc/40/00/23/569400023.db2.gz WWYBRIACLAKCHY-UHFFFAOYSA-N -1 3 437.568 3.797 50 0 IHAAHM CCCN(CCC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002494176 569405698 /nfs/dbraw/zinc/40/56/98/569405698.db2.gz IPPXPALMHWXJGZ-UHFFFAOYSA-N -1 3 434.543 3.861 50 0 IHAAHM CCCc1cc2c(nc(C)n([N-]C(=O)Cn3nc(C(F)(F)F)cc3C3CC3)c2=O)s1 ZINC000002780321 569421198 /nfs/dbraw/zinc/42/11/98/569421198.db2.gz CLVWGIZZEHNTKT-UHFFFAOYSA-N -1 3 439.463 3.582 50 0 IHAAHM COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@@](O)(C(F)(F)F)C1=C([O-])c1ccccc1 ZINC000057531285 569439448 /nfs/dbraw/zinc/43/94/48/569439448.db2.gz CAPYRYAACVZIHP-IPJJNNNSSA-N -1 3 444.409 3.952 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3nnc(C4CC4)s3)c2)cc1 ZINC000003253446 569443041 /nfs/dbraw/zinc/44/30/41/569443041.db2.gz 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O=C(CSc1nc2c(cnn2-c2ccccn2)c(=O)[n-]1)Nc1cc(Cl)cc(Cl)c1 ZINC000009349213 569524697 /nfs/dbraw/zinc/52/46/97/569524697.db2.gz TYABBIPDJQMNOZ-UHFFFAOYSA-N -1 3 447.307 3.541 50 0 IHAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000009490050 569540091 /nfs/dbraw/zinc/54/00/91/569540091.db2.gz XTJRBIAZNMWUHK-UHFFFAOYSA-N -1 3 429.864 3.632 50 0 IHAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccc(Cl)cc1)Nc1ccccc1F ZINC000009490050 569540092 /nfs/dbraw/zinc/54/00/92/569540092.db2.gz XTJRBIAZNMWUHK-UHFFFAOYSA-N -1 3 429.864 3.632 50 0 IHAAHM Cc1nc2cc(NC(=O)CC[N-]S(=O)(=O)c3cccs3)ccc2n1-c1ccccc1 ZINC000009638751 569555064 /nfs/dbraw/zinc/55/50/64/569555064.db2.gz FZBUNPIGHXGHIK-UHFFFAOYSA-N -1 3 440.550 3.703 50 0 IHAAHM CCOC(=O)c1c([N-]C(=O)c2nc3ccccc3s2)sc2c1CCN(C(C)=O)C2 ZINC000009639508 569555184 /nfs/dbraw/zinc/55/51/84/569555184.db2.gz RJVVUDLLSSRJNP-UHFFFAOYSA-N -1 3 429.523 3.691 50 0 IHAAHM CCOc1ccc(CCC2CCN(C(=O)c3ccc([N-]S(C)(=O)=O)cc3)CC2)cc1 ZINC000010393884 569581844 /nfs/dbraw/zinc/58/18/44/569581844.db2.gz BIVWWKQIMHEMOH-UHFFFAOYSA-N -1 3 430.570 3.942 50 0 IHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C)c(Cl)c3)ccc21 ZINC000012180459 520526381 /nfs/dbraw/zinc/52/63/81/520526381.db2.gz XNUQOSPUVRHJLF-UHFFFAOYSA-N -1 3 442.990 3.942 50 0 IHAAHM CCOc1cc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)nc(C)n1 ZINC000012226270 520766867 /nfs/dbraw/zinc/76/68/67/520766867.db2.gz NCABYVAOUYDBLB-UHFFFAOYSA-N -1 3 444.513 3.745 50 0 IHAAHM CC1CCN(S(=O)(=O)c2ccc([N-]S(=O)(=O)Cc3ccc(Cl)cc3)cc2)CC1 ZINC000020572039 521032758 /nfs/dbraw/zinc/03/27/58/521032758.db2.gz PIXVLXVSCJGRPX-UHFFFAOYSA-N -1 3 442.990 3.703 50 0 IHAAHM CCC(C)(C)[N-]S(=O)(=O)c1cc(-c2nc(C)c(C(=O)N3CCCC3)s2)cs1 ZINC000035527924 521352015 /nfs/dbraw/zinc/35/20/15/521352015.db2.gz MAMQANTZCMIXJJ-UHFFFAOYSA-N -1 3 427.617 3.883 50 0 IHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(Br)c(C)c2)CC1 ZINC000012552008 521699997 /nfs/dbraw/zinc/69/99/97/521699997.db2.gz SSDPECUULANYJH-UHFFFAOYSA-N -1 3 438.391 3.700 50 0 IHAAHM CN(Cc1nc(=O)c2c(-c3cccs3)csc2[n-]1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000025286377 523571792 /nfs/dbraw/zinc/57/17/92/523571792.db2.gz RQKNDEQZBSIPJB-UHFFFAOYSA-N -1 3 435.534 3.582 50 0 IHAAHM Cc1cc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)ccc1Br ZINC000012795381 525137734 /nfs/dbraw/zinc/13/77/34/525137734.db2.gz GBJDUEMGNFCJQP-UHFFFAOYSA-N -1 3 446.345 3.752 50 0 IHAAHM C[C@@H](NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621464 525263699 /nfs/dbraw/zinc/26/36/99/525263699.db2.gz QIWVAKXXLGRKRW-IIBYNOLFSA-N -1 3 444.503 3.732 50 0 IHAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000012914966 525574147 /nfs/dbraw/zinc/57/41/47/525574147.db2.gz BDZQOBNIKNLFOT-SECBINFHSA-N -1 3 439.267 3.900 50 0 IHAAHM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548484 525617030 /nfs/dbraw/zinc/61/70/30/525617030.db2.gz JNMIOQXTGQOHPW-QKKBWIMNSA-N -1 3 442.468 3.794 50 0 IHAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)N(Cc1ccccc1)CC(F)(F)F ZINC000012913883 526726549 /nfs/dbraw/zinc/72/65/49/526726549.db2.gz PCSGDKSJGHIPSM-UHFFFAOYSA-N -1 3 449.473 3.634 50 0 IHAAHM O=C(CSc1nc2c(c(=O)[n-]1)CN(Cc1ccccc1)CC2)Nc1ccc(F)cc1F ZINC000021810283 527056818 /nfs/dbraw/zinc/05/68/18/527056818.db2.gz ZDIOCIZLHBWIKA-UHFFFAOYSA-N -1 3 442.491 3.750 50 0 IHAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000012761084 527234261 /nfs/dbraw/zinc/23/42/61/527234261.db2.gz ZYEWWYFNLRXCJL-KRWDZBQOSA-N -1 3 448.894 3.711 50 0 IHAAHM CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2CC)cc1 ZINC000002879270 555853838 /nfs/dbraw/zinc/85/38/38/555853838.db2.gz LQOJLIFRNVRKBD-UHFFFAOYSA-N -1 3 426.498 3.578 50 0 IHAAHM FC(F)(F)c1cc(C2CC2)n(Cc2n[n-]c(=S)n2-c2cnn(Cc3ccccc3)c2)n1 ZINC000002808681 556146618 /nfs/dbraw/zinc/14/66/18/556146618.db2.gz QWLYODFTVPCRGM-UHFFFAOYSA-N -1 3 445.474 3.942 50 0 IHAAHM O=C(N[C@H]1CCOc2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000032731444 556283263 /nfs/dbraw/zinc/28/32/63/556283263.db2.gz LMGJEYRSQHVPTE-IBGZPJMESA-N -1 3 426.469 3.880 50 0 IHAAHM O=C([N-]C1=NCCS1)[C@H](NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000009909546 556316733 /nfs/dbraw/zinc/31/67/33/556316733.db2.gz ROKYQAIEUGWJDW-CTEACUEPSA-N -1 3 431.989 3.874 50 0 IHAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1c(F)cccc1F ZINC000032774470 556336614 /nfs/dbraw/zinc/33/66/14/556336614.db2.gz UESYIXFLYFBYOZ-NSHDSACASA-N -1 3 427.436 3.919 50 0 IHAAHM CCN(Cc1ccccc1)C(=O)CSc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000014242704 556403165 /nfs/dbraw/zinc/40/31/65/556403165.db2.gz ZSQOOALSTTXGGC-UHFFFAOYSA-N -1 3 433.537 3.558 50 0 IHAAHM Cc1nc(-c2ccccc2)ccc1C(=O)O[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032842843 556427787 /nfs/dbraw/zinc/42/77/87/556427787.db2.gz NIZQQPDDXXMLTC-MRXNPFEDSA-N -1 3 438.505 3.857 50 0 IHAAHM CCOC(=O)c1sc2[n-]c([C@H](C)N(C)Cc3ccc(OC)cc3OC)nc(=O)c2c1C ZINC000013140806 556486039 /nfs/dbraw/zinc/48/60/39/556486039.db2.gz KFRLOQYSWWKSPD-ZDUSSCGKSA-N -1 3 445.541 3.680 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCC(C)(C)N3CCCCC3)c2)cc1F ZINC000015624432 556538883 /nfs/dbraw/zinc/53/88/83/556538883.db2.gz KNYQGAYZOPOIJE-UHFFFAOYSA-N -1 3 447.576 3.929 50 0 IHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1C ZINC000033115320 556554891 /nfs/dbraw/zinc/55/48/91/556554891.db2.gz RXGRRSYKWSAQSE-OAQYLSRUSA-N -1 3 442.581 3.739 50 0 IHAAHM O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCN(C(=O)c2cccc([O-])c2)CC1 ZINC000072308319 556565944 /nfs/dbraw/zinc/56/59/44/556565944.db2.gz LWJSSJPFUHCFMP-HSZRJFAPSA-N -1 3 433.483 3.669 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000032975528 556600110 /nfs/dbraw/zinc/60/01/10/556600110.db2.gz CPFAZAKENGMKHO-IRXDYDNUSA-N -1 3 448.491 3.749 50 0 IHAAHM Cc1c(Br)c2ccccc2n1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000059855412 556805255 /nfs/dbraw/zinc/80/52/55/556805255.db2.gz SJVXEVRPFLYOCG-UHFFFAOYSA-N -1 3 436.331 3.722 50 0 IHAAHM 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/nfs/dbraw/zinc/47/88/89/569478889.db2.gz QAWRAEOZJWCMPV-GOSISDBHSA-N -1 3 444.285 3.824 50 0 IHAAHM CCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2cc(C(F)(F)F)ccc2Cl)n1 ZINC000008867379 569480272 /nfs/dbraw/zinc/48/02/72/569480272.db2.gz HGUDFXPOBFYPQY-UHFFFAOYSA-N -1 3 428.219 3.848 50 0 IHAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N21 ZINC000009015860 569496790 /nfs/dbraw/zinc/49/67/90/569496790.db2.gz CTLOGBVHJCVBFC-XVOBZGQLSA-N -1 3 449.510 3.952 50 0 IHAAHM O=S(=O)([N-]Cc1ccc(Cn2ccnc2)cc1)c1ccc(Br)cc1Cl ZINC000069367134 569502509 /nfs/dbraw/zinc/50/25/09/569502509.db2.gz QZNXYQKRXZUCGH-UHFFFAOYSA-N -1 3 440.750 3.826 50 0 IHAAHM O=S(=O)([N-]c1cc2c(cc1Br)OCCO2)c1cccc(Br)c1 ZINC000009255563 569516591 /nfs/dbraw/zinc/51/65/91/569516591.db2.gz DVAQWAXRYCDBOL-UHFFFAOYSA-N -1 3 449.120 3.784 50 0 IHAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1)N1CC[C@@H]2CCCC[C@@H]2C1 ZINC000009322008 569522661 /nfs/dbraw/zinc/52/26/61/569522661.db2.gz TUUFWSBZOZACLN-PKOBYXMFSA-N 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CC(=O)[C@@H]1C(=C([O-])c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000008917940 569486163 /nfs/dbraw/zinc/48/61/63/569486163.db2.gz ANRJFYLDQNRFFC-KALPRAJFSA-N -1 3 449.510 3.952 50 0 biogenic IHAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009015861 569496762 /nfs/dbraw/zinc/49/67/62/569496762.db2.gz CTLOGBVHJCVBFC-PAHOUZJPSA-N -1 3 449.510 3.952 50 0 IHAAHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]C[C@](O)(c1ccoc1)c1cccs1 ZINC000244986032 569496814 /nfs/dbraw/zinc/49/68/14/569496814.db2.gz JCTKMQCTUIFPFI-KRWDZBQOSA-N -1 3 431.457 3.715 50 0 IHAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-][C@H]3CCCC[C@@H]3C)cc21 ZINC000040450316 569506249 /nfs/dbraw/zinc/50/62/49/569506249.db2.gz KXKYUQBDPZRHGN-WFASDCNBSA-N -1 3 429.380 3.605 50 0 IHAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]C3CCCCCC3)cc21 ZINC000040450272 569506277 /nfs/dbraw/zinc/50/62/77/569506277.db2.gz CWFWEFJRVZJBTH-UHFFFAOYSA-N -1 3 429.380 3.749 50 0 IHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc2OCC(C)(C)C1=O ZINC000009170787 569509289 /nfs/dbraw/zinc/50/92/89/569509289.db2.gz DYODWMVBKLQXKB-UHFFFAOYSA-N -1 3 445.541 3.526 50 0 IHAAHM O=C(CSc1nnc(-c2ccccc2[O-])n1-c1ccccc1)NCCOc1ccccc1 ZINC000009189650 569510523 /nfs/dbraw/zinc/51/05/23/569510523.db2.gz DOGAEOGVNYOTGH-UHFFFAOYSA-N -1 3 446.532 3.927 50 0 IHAAHM Cc1cc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)NCc2cccs2)ccc1Cl ZINC000009490226 569540147 /nfs/dbraw/zinc/54/01/47/569540147.db2.gz JSFOHRROPAVLAS-UHFFFAOYSA-N -1 3 445.957 3.541 50 0 IHAAHM Cc1cc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)NCc2cccs2)ccc1Cl ZINC000009490226 569540148 /nfs/dbraw/zinc/54/01/48/569540148.db2.gz JSFOHRROPAVLAS-UHFFFAOYSA-N -1 3 445.957 3.541 50 0 IHAAHM CC(=O)CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)c(C)c1 ZINC000009509457 569542546 /nfs/dbraw/zinc/54/25/46/569542546.db2.gz RSBSJRKKXUDLHX-UHFFFAOYSA-N -1 3 439.331 3.866 50 0 IHAAHM CCOC(=O)c1cc(-c2ccc(S(=O)(=O)[N-]CCc3ccc(Cl)cc3)s2)on1 ZINC000009688772 569560806 /nfs/dbraw/zinc/56/08/06/569560806.db2.gz MNOKJLWJQAFSLC-UHFFFAOYSA-N -1 3 440.930 3.754 50 0 IHAAHM CN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000009725019 569563763 /nfs/dbraw/zinc/56/37/63/569563763.db2.gz UWSCOGZSNIPHMB-UHFFFAOYSA-N -1 3 448.426 3.732 50 0 IHAAHM O=C(c1ccc(I)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000009730683 569564489 /nfs/dbraw/zinc/56/44/89/569564489.db2.gz WCTRGUYOHRBUIC-RISCZKNCSA-N -1 3 438.187 3.544 50 0 IHAAHM COc1ccc(C(=O)N/C(=C\c2cccnc2)C(=O)c2nc3ccccc3[n-]2)cc1OC ZINC000033924705 569587460 /nfs/dbraw/zinc/58/74/60/569587460.db2.gz NUNRMEHAEVHLPY-UNOMPAQXSA-N -1 3 428.448 3.629 50 0 IHAAHM CC(C)C(=O)Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000009440169 132317822 /nfs/dbraw/zinc/31/78/22/132317822.db2.gz AKKSCNHOUIVMFJ-UHFFFAOYSA-N -1 3 437.949 3.572 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3ccc(C)cc3C)c2)S1 ZINC000020896524 519643338 /nfs/dbraw/zinc/64/33/38/519643338.db2.gz VQXCFPLQSGLONC-OAQYLSRUSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OC(=O)c3ccc(C)cc3)c(Cl)c2)S1 ZINC000020895846 519643373 /nfs/dbraw/zinc/64/33/73/519643373.db2.gz OYEUCPULHVEVMK-SFHVURJKSA-N -1 3 431.901 3.869 50 0 IHAAHM CCOC(=O)C1CCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022853502 520581970 /nfs/dbraw/zinc/58/19/70/520581970.db2.gz VDRRKCSWJUAPAW-SFHVURJKSA-N -1 3 428.558 3.732 50 0 IHAAHM COc1ccc(C(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)cc1OC ZINC000012507888 523750961 /nfs/dbraw/zinc/75/09/61/523750961.db2.gz DPKKVCUSGFCNCQ-UHFFFAOYSA-N -1 3 430.457 3.896 50 0 IHAAHM C[C@@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1cccc(Cl)c1 ZINC000012901718 525159347 /nfs/dbraw/zinc/15/93/47/525159347.db2.gz AEEFBXJUQHHVSX-CYBMUJFWSA-N -1 3 427.979 3.615 50 0 IHAAHM Cc1cc(C(=O)N2CCC[C@@H](C[N-]S(=O)(=O)c3cccs3)C2)c2ccc(F)cc2n1 ZINC000012714066 526246311 /nfs/dbraw/zinc/24/63/11/526246311.db2.gz NXOGTBCMENIEPC-HNNXBMFYSA-N -1 3 447.557 3.575 50 0 IHAAHM O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000012752536 527451123 /nfs/dbraw/zinc/45/11/23/527451123.db2.gz CYJZALPGMROZAR-UHFFFAOYSA-N -1 3 444.875 3.830 50 0 IHAAHM CC(C)(C)C1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(I)cc2)N1 ZINC000001123712 555639313 /nfs/dbraw/zinc/63/93/13/555639313.db2.gz OZEJMFCAJGCDMR-CQSZACIVSA-N -1 3 440.203 3.790 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](OC)c3ccccc3)cc2)cc1 ZINC000001135594 555646858 /nfs/dbraw/zinc/64/68/58/555646858.db2.gz FDBASNDUCJANNZ-NRFANRHFSA-N -1 3 426.494 3.822 50 0 IHAAHM COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2)cc1 ZINC000001144551 555652325 /nfs/dbraw/zinc/65/23/25/555652325.db2.gz GBROQVVMUSEVJV-UHFFFAOYSA-N -1 3 430.457 3.653 50 0 IHAAHM CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Br)c1[O-] ZINC000009263299 556270183 /nfs/dbraw/zinc/27/01/83/556270183.db2.gz AXZXMDSGLRODBO-OVCLIPMQSA-N -1 3 435.249 3.785 50 0 IHAAHM C[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000014242616 556403246 /nfs/dbraw/zinc/40/32/46/556403246.db2.gz FRRKEFRMFQMBOO-GHMZBOCLSA-N -1 3 446.583 3.732 50 0 IHAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1C(F)(F)F ZINC000012992224 556428932 /nfs/dbraw/zinc/42/89/32/556428932.db2.gz UEWVIFGORYLFKY-UHFFFAOYSA-N -1 3 448.894 3.670 50 0 IHAAHM O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000013096658 556457312 /nfs/dbraw/zinc/45/73/12/556457312.db2.gz SMNZBKYWZPSQAL-ZDUSSCGKSA-N -1 3 447.315 3.842 50 0 IHAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2Br)CC1 ZINC000029966121 556487673 /nfs/dbraw/zinc/48/76/73/556487673.db2.gz YXDOEVJCELNDEO-UHFFFAOYSA-N -1 3 438.391 3.700 50 0 IHAAHM COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccc(Cl)cc1[O-] ZINC000013149709 556491650 /nfs/dbraw/zinc/49/16/50/556491650.db2.gz UGPWIWAQGKVNFV-UHFFFAOYSA-N -1 3 447.793 3.885 50 0 IHAAHM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C(C)C)cc3)cc2)CC1 ZINC000033274721 556559237 /nfs/dbraw/zinc/55/92/37/556559237.db2.gz JFFWFKSVIACBTE-UHFFFAOYSA-N -1 3 430.570 3.795 50 0 IHAAHM O=C1[N-]C(=O)C(CCc2ccccn2)(CCc2ccccn2)C(=O)N1C1CCCCCC1 ZINC000016474880 556610241 /nfs/dbraw/zinc/61/02/41/556610241.db2.gz IAWXYCHGBHFRBA-UHFFFAOYSA-N -1 3 434.540 3.830 50 0 IHAAHM CC(C)[C@@H](NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O)c1nc2ccccc2[nH]1 ZINC000334161998 556837274 /nfs/dbraw/zinc/83/72/74/556837274.db2.gz LZLHBHNZLPZNOC-JOCHJYFZSA-N -1 3 437.496 3.905 50 0 IHAAHM O=C(C[C@@H](c1ccccc1)c1cc(Br)ccc1[O-])NCCCN1CCOCC1 ZINC000020029137 556968221 /nfs/dbraw/zinc/96/82/21/556968221.db2.gz CUOJOGJOQCRFBM-IBGZPJMESA-N -1 3 447.373 3.515 50 0 IHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000020275225 557005444 /nfs/dbraw/zinc/00/54/44/557005444.db2.gz MAUXGPARIGKBTL-UHFFFAOYSA-N -1 3 449.576 3.606 50 0 IHAAHM O=C(Nc1ccccc1Cl)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074545 557030672 /nfs/dbraw/zinc/03/06/72/557030672.db2.gz YNQAWSDIJKOGMJ-ZDUSSCGKSA-N -1 3 440.912 3.780 50 0 IHAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccccc3Cl)[n-]c(=O)c21 ZINC000046075005 557031521 /nfs/dbraw/zinc/03/15/21/557031521.db2.gz LLGQZJQPFWIJNG-CQSZACIVSA-N -1 3 440.912 3.780 50 0 IHAAHM Cc1c([O-])ccc2c(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)cc(=O)oc12 ZINC000023524356 557095931 /nfs/dbraw/zinc/09/59/31/557095931.db2.gz HPWQCOTWBAXWJE-SFHVURJKSA-N -1 3 437.477 3.740 50 0 IHAAHM COc1cccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)c1 ZINC000033326860 557108580 /nfs/dbraw/zinc/10/85/80/557108580.db2.gz GPZHHQLERBZJDH-UHFFFAOYSA-N -1 3 439.541 3.938 50 0 IHAAHM O=C(c1ccoc1)N1CCC([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000024440077 557147093 /nfs/dbraw/zinc/14/70/93/557147093.db2.gz XFJJFWCXLDLXGN-UHFFFAOYSA-N -1 3 436.839 3.535 50 0 IHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC1CCN(C(=O)Oc2ccccc2)CC1 ZINC000043957274 557154140 /nfs/dbraw/zinc/15/41/40/557154140.db2.gz YQYVJDUDQCMDQZ-UHFFFAOYSA-N -1 3 438.933 3.538 50 0 IHAAHM O=S(=O)([N-][C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(Cl)ccc1Cl ZINC000206791659 557163750 /nfs/dbraw/zinc/16/37/50/557163750.db2.gz YMXGWFFTRPFAIZ-GFCCVEGCSA-N -1 3 440.274 3.964 50 0 IHAAHM COc1ccc(-c2[n-]n(-c3ccccc3)c3c(O)n(-c4ccc(C(C)=O)cc4)c(=O)c2-3)cc1 ZINC000101362089 557276977 /nfs/dbraw/zinc/27/69/77/557276977.db2.gz FHYAABJNXLNRNY-ISKFKSNPSA-N -1 3 439.471 3.680 50 0 IHAAHM CCOc1ccc(-c2nc(C(=O)N(C)Cc3nc4ccsc4c(=O)[n-]3)cs2)cc1 ZINC000032315658 557313019 /nfs/dbraw/zinc/31/30/19/557313019.db2.gz VGSVTHHJDFAEAB-UHFFFAOYSA-N -1 3 426.523 3.779 50 0 IHAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000226815376 557809462 /nfs/dbraw/zinc/80/94/62/557809462.db2.gz QBRWSSZSUDHTHM-YTFSRNRJSA-N -1 3 448.450 3.981 50 0 IHAAHM O=C(NCCc1ccccc1F)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000018826164 557860701 /nfs/dbraw/zinc/86/07/01/557860701.db2.gz JZGOUVLWZNAGOY-UHFFFAOYSA-N -1 3 446.931 3.930 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(Cl)ccc2OCCOc2ccccc2)S1 ZINC000015832939 568842174 /nfs/dbraw/zinc/84/21/74/568842174.db2.gz SLEMIAZOUHMVHV-LJQANCHMSA-N -1 3 433.917 3.799 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(Cl)ccc2OCCOc2ccccc2)S1 ZINC000015832940 568842237 /nfs/dbraw/zinc/84/22/37/568842237.db2.gz SLEMIAZOUHMVHV-IBGZPJMESA-N -1 3 433.917 3.799 50 0 IHAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Br)cc1Cl)c1cccs1 ZINC000013022119 568902339 /nfs/dbraw/zinc/90/23/39/568902339.db2.gz HWUWAQWMZUVFEA-LLVKDONJSA-N -1 3 438.752 3.747 50 0 IHAAHM COc1cc2c(cc1OC)[C@@H](NC(=O)CCc1c(C)c3ccc([O-])c(C)c3oc1=O)CC2 ZINC000524729641 568904038 /nfs/dbraw/zinc/90/40/38/568904038.db2.gz BPKFUWCAKOLYEJ-IBGZPJMESA-N -1 3 437.492 3.869 50 0 biogenic IHAAHM CN1CCCN(c2ccc(NC(=O)c3ccc(Br)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589031 568934785 /nfs/dbraw/zinc/93/47/85/568934785.db2.gz MOVJTRCOQBSSLB-UHFFFAOYSA-N -1 3 432.318 3.542 50 0 IHAAHM Cc1cccc(S(=O)(=O)N2CCC[C@@H]2c2nnc(C(=O)[N-]c3ccccc3F)s2)c1 ZINC000064941906 568991264 /nfs/dbraw/zinc/99/12/64/568991264.db2.gz KRNAAGHNTDLPJM-QGZVFWFLSA-N -1 3 446.529 3.764 50 0 IHAAHM CCOC(=O)[C@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000036370442 569088539 /nfs/dbraw/zinc/08/85/39/569088539.db2.gz LBZWKNDPUBTGPH-WMLDXEAASA-N -1 3 432.521 3.562 50 0 IHAAHM COc1ccc(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)c(OC)c1 ZINC000065034982 569092530 /nfs/dbraw/zinc/09/25/30/569092530.db2.gz ZNFDWQYDPJEXTD-UHFFFAOYSA-N -1 3 445.878 3.747 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)cc1 ZINC000017051017 569171929 /nfs/dbraw/zinc/17/19/29/569171929.db2.gz VBGIAGLGFWYDCP-UHFFFAOYSA-N -1 3 448.591 3.999 50 0 IHAAHM COc1cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccccc2F)cc(OC)c1OC ZINC000027528416 569263594 /nfs/dbraw/zinc/26/35/94/569263594.db2.gz SHISVVQOESYWHJ-UHFFFAOYSA-N -1 3 449.438 3.612 50 0 IHAAHM CCOc1ccccc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000020116401 569335142 /nfs/dbraw/zinc/33/51/42/569335142.db2.gz IZXDMGRGNJFLKO-GOSISDBHSA-N -1 3 430.551 3.675 50 0 IHAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@H](c2ccco2)C1 ZINC000095116585 569358290 /nfs/dbraw/zinc/35/82/90/569358290.db2.gz WCPLGZGWALSTIE-IBGZPJMESA-N -1 3 427.457 3.782 50 0 IHAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)cc1OC ZINC000096116705 569383865 /nfs/dbraw/zinc/38/38/65/569383865.db2.gz IXCIPJWUUATRFN-UGSOOPFHSA-N -1 3 433.530 3.511 50 0 IHAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Br)cc1 ZINC000002469104 569403934 /nfs/dbraw/zinc/40/39/34/569403934.db2.gz CYPBCNNWBXTEMM-CYBMUJFWSA-N -1 3 449.417 3.549 50 0 IHAAHM Cc1cc(C(F)(F)F)nn1Cc1n[n-]c(=S)n1-c1cnn(Cc2ccc(C)cc2)c1 ZINC000002809587 569422927 /nfs/dbraw/zinc/42/29/27/569422927.db2.gz NHTILJHCYHPTKW-UHFFFAOYSA-N -1 3 433.463 3.681 50 0 IHAAHM CCOc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)[N-]Cc3ccccc3)c2)cc1 ZINC000003022604 569436069 /nfs/dbraw/zinc/43/60/69/569436069.db2.gz YMYOMMKDFJXREB-UHFFFAOYSA-N -1 3 428.485 3.955 50 0 IHAAHM CCCCc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N(CC)CC)c2)s1 ZINC000003433275 569450864 /nfs/dbraw/zinc/45/08/64/569450864.db2.gz XYKABTQJPMRYGC-UHFFFAOYSA-N -1 3 430.983 3.817 50 0 IHAAHM COc1c(C)cnc(CN2CCN([C@@H](C(=O)[O-])c3c[nH]c4ccc(Cl)cc43)CC2)c1C ZINC000031811233 569457883 /nfs/dbraw/zinc/45/78/83/569457883.db2.gz LYPVDEGEULKGHD-OAQYLSRUSA-N -1 3 442.947 3.785 50 0 IHAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@@H]1c1cccnc1 ZINC000031939573 569458425 /nfs/dbraw/zinc/45/84/25/569458425.db2.gz SCVMUTSUPBXZEJ-OAQYLSRUSA-N -1 3 425.485 3.999 50 0 IHAAHM CCCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3ccc(NC(C)=O)cc3C)ccc21 ZINC000008840776 569478375 /nfs/dbraw/zinc/47/83/75/569478375.db2.gz QCLHCXRPTDNAAG-UHFFFAOYSA-N -1 3 429.542 3.834 50 0 IHAAHM CCOC(=O)c1c([N-]C(=O)COC(=O)C2C3CC4CC(C3)CC2C4)oc(C)c1C(C)=O ZINC000008878697 569481311 /nfs/dbraw/zinc/48/13/11/569481311.db2.gz LIWBGDZBMONFOF-UHFFFAOYSA-N -1 3 431.485 3.521 50 0 IHAAHM CCCCn1c(SCC(=O)[N-]C(=O)c2cccs2)nnc1-c1ccc(OC)cc1 ZINC000008940973 569488657 /nfs/dbraw/zinc/48/86/57/569488657.db2.gz OGSDFEGKMLBUGI-UHFFFAOYSA-N -1 3 430.555 3.864 50 0 IHAAHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450478 569506368 /nfs/dbraw/zinc/50/63/68/569506368.db2.gz MVIRLISNZCQGLC-WBMJQRKESA-N -1 3 441.391 3.605 50 0 IHAAHM CN(C1CC1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cc4ccccc4o3)o2)cc1 ZINC000009170228 569509276 /nfs/dbraw/zinc/50/92/76/569509276.db2.gz MECXGWFGGRIZAO-UHFFFAOYSA-N -1 3 438.465 3.518 50 0 IHAAHM CC(=O)NCc1ccc(C(=O)CSc2n[n-]c(COc3ccc(Cl)cc3C)n2)cc1 ZINC000009223397 569512976 /nfs/dbraw/zinc/51/29/76/569512976.db2.gz FZRKARAVPXZAOJ-UHFFFAOYSA-N -1 3 444.944 3.957 50 0 IHAAHM O=C(c1ccc(Cl)c(S(=O)(=O)[N-]Cc2cccnc2)c1)N1CC[C@H]2CCCC[C@H]2C1 ZINC000009322011 569522608 /nfs/dbraw/zinc/52/26/08/569522608.db2.gz TUUFWSBZOZACLN-MJGOQNOKSA-N -1 3 447.988 3.866 50 0 IHAAHM CC[C@@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(NC(=O)c3cccs3)c2)C1=O ZINC000009364939 569526062 /nfs/dbraw/zinc/52/60/62/569526062.db2.gz MZABITWHBIEJDZ-QHCPKHFHSA-N -1 3 448.504 3.503 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)COc3ccccc3F)c2)cc1 ZINC000009441766 569535447 /nfs/dbraw/zinc/53/54/47/569535447.db2.gz QHEAELSQRZFIPE-UHFFFAOYSA-N -1 3 444.484 3.961 50 0 IHAAHM Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c([O-])c1 ZINC000009506758 569541838 /nfs/dbraw/zinc/54/18/38/569541838.db2.gz ZJLYQYDWSLQIBT-UHFFFAOYSA-N -1 3 442.459 3.759 50 0 IHAAHM CCn1c(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)nnc1-c1cccs1 ZINC000009643439 569555941 /nfs/dbraw/zinc/55/59/41/569555941.db2.gz WDVMCUGYQUEFNI-LBPRGKRZSA-N -1 3 436.584 3.762 50 0 IHAAHM CCn1nnc2cc(C(=O)Nc3ccc([N-]S(=O)(=O)c4ccc(F)cc4)cc3)ccc21 ZINC000009672315 569558767 /nfs/dbraw/zinc/55/87/67/569558767.db2.gz GAXKLQAIZSIKRU-UHFFFAOYSA-N -1 3 439.472 3.643 50 0 IHAAHM COc1cc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc(Br)c1[O-] ZINC000009805818 569568799 /nfs/dbraw/zinc/56/87/99/569568799.db2.gz CLQNERHODUUYGP-UHFFFAOYSA-N -1 3 432.274 3.905 50 0 IHAAHM C[C@]1(c2ccc(Cl)cc2Cl)[N-]C(=O)N(CC(=O)Nc2ccc(F)c(F)c2F)C1=O ZINC000009963971 569575887 /nfs/dbraw/zinc/57/58/87/569575887.db2.gz SLWPUUHPOKVEHN-GOSISDBHSA-N -1 3 446.212 3.816 50 0 IHAAHM O=C(Nc1nnc(SCc2ccc(Cl)cc2)[n-]1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009130447 132306011 /nfs/dbraw/zinc/30/60/11/132306011.db2.gz WTONRKKCDLNFPJ-UHFFFAOYSA-N -1 3 440.916 3.872 50 0 IHAAHM O=C(Nc1nc(SCc2ccc(Cl)cc2)n[n-]1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009130447 132306014 /nfs/dbraw/zinc/30/60/14/132306014.db2.gz WTONRKKCDLNFPJ-UHFFFAOYSA-N -1 3 440.916 3.872 50 0 IHAAHM O=C(Nc1n[n-]c(SCc2ccc(Cl)cc2)n1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000009130447 132306015 /nfs/dbraw/zinc/30/60/15/132306015.db2.gz WTONRKKCDLNFPJ-UHFFFAOYSA-N -1 3 440.916 3.872 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCCOc3ccccc3C)c2)S1 ZINC000020896556 519643294 /nfs/dbraw/zinc/64/32/94/519643294.db2.gz MXSVUFWSKVXBGW-NRFANRHFSA-N -1 3 427.526 3.844 50 0 IHAAHM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000022853409 521301132 /nfs/dbraw/zinc/30/11/32/521301132.db2.gz BSKKTIHAIIMXPA-WMZOPIPTSA-N -1 3 428.558 3.732 50 0 IHAAHM CCCn1cnc2cc(-c3noc([C@@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000035453571 521663316 /nfs/dbraw/zinc/66/33/16/521663316.db2.gz LFKPHVQCAQXILL-OAHLLOKOSA-N -1 3 425.514 3.844 50 0 IHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc([C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000033122754 521684426 /nfs/dbraw/zinc/68/44/26/521684426.db2.gz MKHDJUCTUWMUCP-KRWDZBQOSA-N -1 3 440.525 3.636 50 0 IHAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCCCCc1nc(-c2ccc(C)cc2)no1 ZINC000012746544 522452403 /nfs/dbraw/zinc/45/24/03/522452403.db2.gz KPLCTMUYTVSXGR-UHFFFAOYSA-N -1 3 449.554 3.584 50 0 IHAAHM CCc1nc2sc([C@H](c3cccc(Cl)c3)N3CCC4(CC3)OCCO4)c([O-])n2n1 ZINC000022854041 522537451 /nfs/dbraw/zinc/53/74/51/522537451.db2.gz DHZVWPRUDCMESC-INIZCTEOSA-N -1 3 434.949 3.641 50 0 IHAAHM COc1cc(OC)c(-n2nnc(-c3nsc([N-]C(=O)c4ccco4)n3)c2C)cc1Cl ZINC000020848807 522783500 /nfs/dbraw/zinc/78/35/00/522783500.db2.gz OSPGQNSJVGXJAG-UHFFFAOYSA-N -1 3 446.876 3.610 50 0 IHAAHM CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1 ZINC000012536041 523348130 /nfs/dbraw/zinc/34/81/30/523348130.db2.gz HJRQUJSHTHESHR-WUKNDPDISA-N -1 3 442.562 3.920 50 0 IHAAHM Cc1ccccc1Nc1nc(N)nc(CSc2n[n-]c(COc3ccccc3C)n2)n1 ZINC000012565131 525274949 /nfs/dbraw/zinc/27/49/49/525274949.db2.gz HNVDPYJPDWZEFN-UHFFFAOYSA-N -1 3 434.529 3.804 50 0 IHAAHM COc1ccc2cc(CN(C)C(=O)CSc3nc4sccc4c(=O)[n-]3)ccc2c1 ZINC000012882035 525626001 /nfs/dbraw/zinc/62/60/01/525626001.db2.gz GOZZLJSSCCEDHM-UHFFFAOYSA-N -1 3 425.535 3.897 50 0 IHAAHM Cc1cc2nc(CSc3nnc([N-]C(=O)c4cccs4)s3)c(=O)[nH]c2cc1C ZINC000013361208 525677599 /nfs/dbraw/zinc/67/75/99/525677599.db2.gz FQEVXUGPGWECDR-UHFFFAOYSA-N -1 3 429.552 3.998 50 0 IHAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc3c2nc[n-]c3=O)cc1 ZINC000012462117 525898933 /nfs/dbraw/zinc/89/89/33/525898933.db2.gz ZPHLXBYNYXEZIM-UHFFFAOYSA-N -1 3 443.891 3.941 50 0 biogenic,in-vitro IHAAHM C[C@@H](Sc1n[n-]c(COc2ccc(Cl)cc2)n1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000021261883 526000234 /nfs/dbraw/zinc/00/02/34/526000234.db2.gz LJQGWWZKRQZPFG-LLVKDONJSA-N -1 3 432.889 3.885 50 0 IHAAHM O=C(NCc1ccc(Cl)cc1)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000021111729 526659970 /nfs/dbraw/zinc/65/99/70/526659970.db2.gz VQFVHZPNABPSRI-SFHVURJKSA-N -1 3 434.970 3.608 50 0 IHAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC2CCCCC2)cc(Br)c1[O-] ZINC000000666433 555528630 /nfs/dbraw/zinc/52/86/30/555528630.db2.gz CKBOUXMZVRHVBS-INIZCTEOSA-N -1 3 439.306 3.667 50 0 IHAAHM COc1cc(/C=c2\sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1[O-] ZINC000001065540 555618190 /nfs/dbraw/zinc/61/81/90/555618190.db2.gz LOCNOJNUJYHWFV-PXNMLYILSA-N -1 3 431.311 3.550 50 0 IHAAHM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc(Br)c1[O-] ZINC000001170938 555666451 /nfs/dbraw/zinc/66/64/51/555666451.db2.gz ONBLJPMYJKPZAU-VFZGTOFNSA-N -1 3 427.295 3.523 50 0 IHAAHM CCCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Br)c([O-])c(OC)c1 ZINC000002070701 555734802 /nfs/dbraw/zinc/73/48/02/555734802.db2.gz FBHJPCKCFIOHQF-INIZCTEOSA-N -1 3 441.322 3.867 50 0 IHAAHM COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Br)c1[O-] ZINC000002929818 555864171 /nfs/dbraw/zinc/86/41/71/555864171.db2.gz WLAIBCFIHYVHSC-AUWJEWJLSA-N -1 3 437.677 3.910 50 0 IHAAHM COc1ccc(C(=O)N[C@H](NC(=S)Nc2ccccc2[O-])C(Cl)(Cl)Cl)cc1 ZINC000003039775 556162729 /nfs/dbraw/zinc/16/27/29/556162729.db2.gz NBOKTFIRWLENAK-OAHLLOKOSA-N -1 3 448.759 3.814 50 0 IHAAHM Cc1nnc(SCC(=O)Nc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)s1 ZINC000008814351 556217134 /nfs/dbraw/zinc/21/71/34/556217134.db2.gz CJSUGYAZKAXWLF-UHFFFAOYSA-N -1 3 434.568 3.687 50 0 IHAAHM O=C([O-])c1cccc(-c2ccc(CNCCCSc3nnnn3-c3ccccc3)o2)c1 ZINC000013730404 556295043 /nfs/dbraw/zinc/29/50/43/556295043.db2.gz QPTMIVNZDZDLHL-UHFFFAOYSA-N -1 3 435.509 3.893 50 0 IHAAHM Cc1nc(-c2ccccc2)ccc1C(=O)O[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032842844 556427833 /nfs/dbraw/zinc/42/78/33/556427833.db2.gz NIZQQPDDXXMLTC-INIZCTEOSA-N -1 3 438.505 3.857 50 0 IHAAHM COc1cccc(NC(=O)CN(C)Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)c1 ZINC000012992176 556428885 /nfs/dbraw/zinc/42/88/85/556428885.db2.gz DDVZTLKBHRBBES-UHFFFAOYSA-N -1 3 434.521 3.731 50 0 IHAAHM CC(=O)c1cccc(NC(=O)CCC[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 ZINC000013100368 556459743 /nfs/dbraw/zinc/45/97/43/556459743.db2.gz SPSVWXARRKVLCZ-UHFFFAOYSA-N -1 3 429.325 3.893 50 0 IHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000033115327 556555033 /nfs/dbraw/zinc/55/50/33/556555033.db2.gz ZEYHBPHDDBGGFY-NRFANRHFSA-N -1 3 442.581 3.739 50 0 IHAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CC=C(c2ccccc2)CC1 ZINC000015940536 556566343 /nfs/dbraw/zinc/56/63/43/556566343.db2.gz SXPXBPXCXJOILO-FQEVSTJZSA-N -1 3 448.585 3.542 50 0 IHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000016011586 556574308 /nfs/dbraw/zinc/57/43/08/556574308.db2.gz SECGSVQQLYOHTO-NVXWUHKLSA-N -1 3 449.688 3.712 50 0 IHAAHM CN1CCN(c2ccc(C(F)(F)F)cc2[N-]S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000011859535 556664072 /nfs/dbraw/zinc/66/40/72/556664072.db2.gz ZZWYZLNJNDRWLP-UHFFFAOYSA-N -1 3 433.883 3.911 50 0 IHAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1 ZINC000033019331 556675873 /nfs/dbraw/zinc/67/58/73/556675873.db2.gz BWTVPOWZABCXAN-OAHLLOKOSA-N -1 3 439.430 3.842 50 0 IHAAHM CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)c[n-]2)n1 ZINC000061719781 556726637 /nfs/dbraw/zinc/72/66/37/556726637.db2.gz CJMQBXIHUXFLDE-UHFFFAOYSA-N -1 3 447.900 3.834 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-]C1(C(=O)N(C)Cc2cccc3ccccc32)CCCC1 ZINC000078903216 556736299 /nfs/dbraw/zinc/73/62/99/556736299.db2.gz JFORTPACUQNKSF-UHFFFAOYSA-N -1 3 441.553 3.694 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc2c(c1)N(C(=O)c1ccc(Cl)cc1)CC2 ZINC000065002792 556830888 /nfs/dbraw/zinc/83/08/88/556830888.db2.gz HASSKDAKMVSWFC-UHFFFAOYSA-N -1 3 445.928 3.626 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c(C)c1 ZINC000033129749 556868993 /nfs/dbraw/zinc/86/89/93/556868993.db2.gz XVEKGHULFIQRBG-UHFFFAOYSA-N -1 3 441.597 3.824 50 0 IHAAHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1 ZINC000033129801 556869281 /nfs/dbraw/zinc/86/92/81/556869281.db2.gz UORJLRGKQRZPEB-UHFFFAOYSA-N -1 3 427.570 3.516 50 0 IHAAHM O=S(=O)([N-][C@H](c1nc[nH]n1)c1cccc(C(F)(F)F)c1)C1=Cc2ccccc2CC1 ZINC000097162123 556993968 /nfs/dbraw/zinc/99/39/68/556993968.db2.gz YZTTVRAKDVQEDA-SFHVURJKSA-N -1 3 434.443 3.820 50 0 IHAAHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074604 557030609 /nfs/dbraw/zinc/03/06/09/557030609.db2.gz GUXCSHNMAREYKZ-QGZVFWFLSA-N -1 3 434.521 3.744 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4cccc(C)c4)[n-]c(=O)c32)cc1 ZINC000046074830 557031107 /nfs/dbraw/zinc/03/11/07/557031107.db2.gz BVWTVELQGNLXAX-GOSISDBHSA-N -1 3 448.548 3.998 50 0 IHAAHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)c1 ZINC000046075249 557031460 /nfs/dbraw/zinc/03/14/60/557031460.db2.gz MKXADNBFKVZUTN-OAHLLOKOSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccc(F)cc1NC(=O)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046075714 557032435 /nfs/dbraw/zinc/03/24/35/557032435.db2.gz ZYPXNNAYZNADAM-HNNXBMFYSA-N -1 3 438.484 3.574 50 0 IHAAHM CCCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3cc(F)cc(F)c3)cc2s1 ZINC000033299072 557075192 /nfs/dbraw/zinc/07/51/92/557075192.db2.gz CDVSPTDVNJFLHZ-UHFFFAOYSA-N -1 3 446.522 3.700 50 0 IHAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(Br)cc1Cl ZINC000010959141 557156943 /nfs/dbraw/zinc/15/69/43/557156943.db2.gz QTDWFXLTYOYGLF-UHFFFAOYSA-N -1 3 440.750 3.826 50 0 IHAAHM CC(C)(C)CC(=O)N1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000096203321 557183026 /nfs/dbraw/zinc/18/30/26/557183026.db2.gz XBVKCLKFIIXVAN-UHFFFAOYSA-N -1 3 433.549 3.711 50 0 IHAAHM COC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000101790729 557295675 /nfs/dbraw/zinc/29/56/75/557295675.db2.gz APARKEVXSWZVIP-FDFHNCONSA-N -1 3 446.434 3.663 50 0 IHAAHM O=C(Cc1cn2ccccc2n1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000032033236 557300736 /nfs/dbraw/zinc/30/07/36/557300736.db2.gz JDTCEUCCZRDJCC-UHFFFAOYSA-N -1 3 440.912 3.970 50 0 IHAAHM CCc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316760 557465531 /nfs/dbraw/zinc/46/55/31/557465531.db2.gz VWFAWYVUZMVPMM-UHFFFAOYSA-N -1 3 441.463 3.680 50 0 IHAAHM CCc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1 ZINC000051316760 557465533 /nfs/dbraw/zinc/46/55/33/557465533.db2.gz VWFAWYVUZMVPMM-UHFFFAOYSA-N -1 3 441.463 3.680 50 0 IHAAHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2ccco2)cc1 ZINC000229968996 557834482 /nfs/dbraw/zinc/83/44/82/557834482.db2.gz KRTFUMFAYMRUBY-BHDDXSALSA-N -1 3 446.459 3.816 50 0 IHAAHM C[C@@H](CCc1ccccc1)NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000002927928 562930616 /nfs/dbraw/zinc/93/06/16/562930616.db2.gz QQKLKGNIZOVBHM-GHTZIAJQSA-N -1 3 442.606 3.775 50 0 IHAAHM COc1ccc(C)cc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000008600900 562955162 /nfs/dbraw/zinc/95/51/62/562955162.db2.gz GJQMWIOLQFPOKW-SFHVURJKSA-N -1 3 430.551 3.593 50 0 IHAAHM COc1ccc(C)cc1NC(=O)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000008600899 562955188 /nfs/dbraw/zinc/95/51/88/562955188.db2.gz GJQMWIOLQFPOKW-GOSISDBHSA-N -1 3 430.551 3.593 50 0 IHAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@H](c2ccccc2)N(C)C)cc1 ZINC000009671625 562975162 /nfs/dbraw/zinc/97/51/62/562975162.db2.gz PWLSSSMPMVFUFZ-HSZRJFAPSA-N -1 3 437.565 3.829 50 0 IHAAHM CCn1ncc(Cl)c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2)cc1 ZINC000001002829 568651033 /nfs/dbraw/zinc/65/10/33/568651033.db2.gz KNFCYVNFKBKBGN-UHFFFAOYSA-N -1 3 434.905 3.618 50 0 IHAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)c1ccncc1 ZINC000025379667 568655239 /nfs/dbraw/zinc/65/52/39/568655239.db2.gz SNOHCDRJPFZKMO-OAHLLOKOSA-N -1 3 429.929 3.705 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3ccn4cncc4c3)ccc2C)cc1 ZINC000084190106 568796006 /nfs/dbraw/zinc/79/60/06/568796006.db2.gz DKBIIGDABUVDFH-UHFFFAOYSA-N -1 3 436.493 3.704 50 0 IHAAHM CSc1cccc(NC(=O)[C@@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000015865790 568850593 /nfs/dbraw/zinc/85/05/93/568850593.db2.gz JJQCXXOVDMKBLO-GOSISDBHSA-N -1 3 432.592 3.998 50 0 IHAAHM Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C32)cc1 ZINC000169299296 568931342 /nfs/dbraw/zinc/93/13/42/568931342.db2.gz HSCXWVCBXQDGDC-YTFSRNRJSA-N -1 3 443.478 3.702 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)cc1 ZINC000064801803 568961512 /nfs/dbraw/zinc/96/15/12/568961512.db2.gz RATIJIPEHMBSRX-UHFFFAOYSA-N -1 3 439.541 3.938 50 0 IHAAHM CCCN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[n-]1)C[C@H](O)COCC ZINC000036206427 568972736 /nfs/dbraw/zinc/97/27/36/568972736.db2.gz NXRXUWAPAVTOSW-INIZCTEOSA-N -1 3 435.977 3.914 50 0 IHAAHM O=C([N-]c1ccc(F)c(F)c1)c1nnc([C@@H]2CCCN2C(=O)NCc2ccco2)s1 ZINC000064930875 568989270 /nfs/dbraw/zinc/98/92/70/568989270.db2.gz FQBHGAZKXFBQDC-HNNXBMFYSA-N -1 3 433.440 3.708 50 0 IHAAHM COC(=O)c1nc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)sc1CC(C)C ZINC000524732339 569126752 /nfs/dbraw/zinc/12/67/52/569126752.db2.gz PYWVFAANNMASRN-UHFFFAOYSA-N -1 3 441.509 3.648 50 0 IHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4ccc(Br)s4)cs3)nc2n1 ZINC000037115870 569140192 /nfs/dbraw/zinc/14/01/92/569140192.db2.gz JRXBZGZKKMMXCO-UHFFFAOYSA-N -1 3 435.332 3.941 50 0 IHAAHM CCOC(=O)Cc1csc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[n-]2)n1 ZINC000071284361 569150785 /nfs/dbraw/zinc/15/07/85/569150785.db2.gz YCKAXQLIOULFKB-UHFFFAOYSA-N -1 3 447.900 3.834 50 0 IHAAHM Cc1ccc(-c2ccc(OCC[N-]S(=O)(=O)c3ccccc3C(F)(F)F)nn2)cc1 ZINC000017051770 569171849 /nfs/dbraw/zinc/17/18/49/569171849.db2.gz CCPBAUFHIWSBQT-UHFFFAOYSA-N -1 3 437.443 3.828 50 0 IHAAHM Cc1ccc(-n2c3nc(NC(=O)Nc4cccc(Cl)c4)sc3c(=O)[n-]c2=O)cc1 ZINC000020394290 569363421 /nfs/dbraw/zinc/36/34/21/569363421.db2.gz CDWHTILYZVDFDB-UHFFFAOYSA-N -1 3 427.873 3.741 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)S1 ZINC000020895854 569374970 /nfs/dbraw/zinc/37/49/70/569374970.db2.gz KIAZDIGTKJYMJT-KRWDZBQOSA-N -1 3 435.864 3.699 50 0 IHAAHM O=C([N-]C1(C(=O)Nc2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC000095997647 569379052 /nfs/dbraw/zinc/37/90/52/569379052.db2.gz IVARJRCTAJYGKL-UHFFFAOYSA-N -1 3 439.865 3.992 50 0 IHAAHM O=c1cc(C2CCCC2)ncn1CC[N-]S(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000096119184 569384691 /nfs/dbraw/zinc/38/46/91/569384691.db2.gz WGALYBOOAQQBKE-UHFFFAOYSA-N -1 3 449.882 3.552 50 0 IHAAHM O=C(CSc1ccc2ccccc2c1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000030997947 569452193 /nfs/dbraw/zinc/45/21/93/569452193.db2.gz IKTDSMKTFSHTJQ-UHFFFAOYSA-N -1 3 446.619 3.963 50 0 IHAAHM Cc1nccc(-c2cccc(NC(=O)[C@@H]([N-]S(=O)(=O)c3ccccc3F)C(C)C)c2)n1 ZINC000031121956 569453797 /nfs/dbraw/zinc/45/37/97/569453797.db2.gz IHQREWSVOSOOOQ-NRFANRHFSA-N -1 3 442.516 3.533 50 0 IHAAHM Cc1cc(NC(=O)c2cnccn2)ccc1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000008710349 569470933 /nfs/dbraw/zinc/47/09/33/569470933.db2.gz LXVLUMHWHSGYBT-UHFFFAOYSA-N -1 3 447.314 3.601 50 0 IHAAHM Cc1ccc(-c2nc(C)c(C(=O)Nc3cc(N4CCCS4(=O)=O)ccc3[O-])s2)o1 ZINC000040150132 569493091 /nfs/dbraw/zinc/49/30/91/569493091.db2.gz WDZXYBXVVAMOOA-UHFFFAOYSA-N -1 3 433.511 3.518 50 0 IHAAHM Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)C2ON1c1ccccc1 ZINC000009345669 569524121 /nfs/dbraw/zinc/52/41/21/569524121.db2.gz JRCAJBKWMVHQDJ-BDTNDASRSA-N -1 3 428.444 3.744 50 0 IHAAHM CC(C)(C)c1ccc(-c2nnc(SCc3cc(=O)[n-]c(=O)[nH]3)n2-c2ccccc2)cc1 ZINC000009491996 569540451 /nfs/dbraw/zinc/54/04/51/569540451.db2.gz PQTGHBJXGFXRSP-UHFFFAOYSA-N -1 3 433.537 3.901 50 0 IHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3nc(-c4cccc(Br)c4)cs3)nc2n1 ZINC000009507714 569542144 /nfs/dbraw/zinc/54/21/44/569542144.db2.gz MYQPHFDMUQWMSM-UHFFFAOYSA-N -1 3 429.303 3.879 50 0 IHAAHM CCNc1cc(C)nc(Nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)cc2)n1 ZINC000009572430 569547731 /nfs/dbraw/zinc/54/77/31/569547731.db2.gz GOUSUQSSKOIACU-UHFFFAOYSA-N -1 3 443.529 3.778 50 0 IHAAHM O=C(NCCc1ccc(Cl)cc1)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597740 569550939 /nfs/dbraw/zinc/55/09/39/569550939.db2.gz WQQCMAUFTQAKKU-LJQANCHMSA-N -1 3 434.970 3.780 50 0 IHAAHM O=S(=O)([N-]C[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1cccs1 ZINC000009742018 569565356 /nfs/dbraw/zinc/56/53/56/569565356.db2.gz IKQKPBSBYLQJIA-HNNXBMFYSA-N -1 3 448.012 3.957 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)Nc3cccc(F)c3)cc2)cc1 ZINC000010078081 569577738 /nfs/dbraw/zinc/57/77/38/569577738.db2.gz KPJUWBGQDKSZDJ-UHFFFAOYSA-N -1 3 430.457 3.653 50 0 IHAAHM CC(C)[C@H]([N-]S(=O)(=O)C=Cc1ccccc1)C(=O)OCC(=O)c1c[nH]c2ccccc12 ZINC000035681566 519821044 /nfs/dbraw/zinc/82/10/44/519821044.db2.gz HWNMEVNKAZUGIL-MLUDITRGSA-N -1 3 440.521 3.509 50 0 IHAAHM CCc1nc2sc([C@H](c3ccc(CC)cc3)N3CCC(C(=O)OC)CC3)c([O-])n2n1 ZINC000022853646 522537053 /nfs/dbraw/zinc/53/70/53/522537053.db2.gz CZOZWELGKMPWMN-SFHVURJKSA-N -1 3 428.558 3.596 50 0 IHAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1Cl ZINC000020895760 522931991 /nfs/dbraw/zinc/93/19/91/522931991.db2.gz HUPYVPNJJDFDNN-SFHVURJKSA-N -1 3 447.900 3.569 50 0 IHAAHM CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3c(C)noc3C)ccc21 ZINC000012527279 523277749 /nfs/dbraw/zinc/27/77/49/523277749.db2.gz VZVNSFQVZHEROX-CQSZACIVSA-N -1 3 440.525 3.725 50 0 IHAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)N(Cc1ccco1)Cc1ccccc1 ZINC000012792256 526726014 /nfs/dbraw/zinc/72/60/14/526726014.db2.gz FQWPKRLLIGPNGB-UHFFFAOYSA-N -1 3 447.535 3.865 50 0 IHAAHM O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000022390484 527223245 /nfs/dbraw/zinc/22/32/45/527223245.db2.gz KSGPKYFFJUWMSW-UHFFFAOYSA-N -1 3 440.500 3.874 50 0 IHAAHM O=S(=O)([N-]c1ccc(CN2CCN(c3ccccn3)CC2)cc1)c1ccc(Cl)cc1 ZINC000035598042 527247746 /nfs/dbraw/zinc/24/77/46/527247746.db2.gz QJBAJRJDSYJPPZ-UHFFFAOYSA-N -1 3 442.972 3.858 50 0 IHAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 ZINC000022527183 527416627 /nfs/dbraw/zinc/41/66/27/527416627.db2.gz PXNURAGHICDUCG-MQHNZPCDSA-N -1 3 437.499 3.516 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2c(C)n(C)n(-c3ccccc3)c2=O)c(Cl)c1Cl ZINC000000640122 555518096 /nfs/dbraw/zinc/51/80/96/555518096.db2.gz WOIYGNDTQIIFNM-UHFFFAOYSA-N -1 3 442.324 3.601 50 0 IHAAHM COC(=O)c1c(C)c(C(=O)N(C)C)sc1[N-]C(=O)c1c(C)onc1-c1ccccc1 ZINC000000656957 555525449 /nfs/dbraw/zinc/52/54/49/555525449.db2.gz QEOZDHAORSEUEL-UHFFFAOYSA-N -1 3 427.482 3.761 50 0 IHAAHM CSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000000822520 555564152 /nfs/dbraw/zinc/56/41/52/555564152.db2.gz AIGZTBAEIUTKPW-GOSISDBHSA-N -1 3 442.298 3.632 50 0 biogenic IHAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCC2)cc(Br)c1[O-] ZINC000000896477 555580324 /nfs/dbraw/zinc/58/03/24/555580324.db2.gz STQIJGUENXZKNT-MRXNPFEDSA-N -1 3 439.306 3.619 50 0 IHAAHM COC(=O)[C@H](Cc1c[nH]c2ccccc12)[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000001043330 555610324 /nfs/dbraw/zinc/61/03/24/555610324.db2.gz DHFPSLQKIAEQLV-KRWDZBQOSA-N -1 3 427.309 3.537 50 0 IHAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 ZINC000001071239 555621443 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3.919 50 0 IHAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1c(F)cccc1F ZINC000032774468 556336579 /nfs/dbraw/zinc/33/65/79/556336579.db2.gz UESYIXFLYFBYOZ-LLVKDONJSA-N -1 3 427.436 3.919 50 0 IHAAHM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1ccc(Br)cc1Cl ZINC000028040986 556442343 /nfs/dbraw/zinc/44/23/43/556442343.db2.gz WHQHBKACIOROAZ-UHFFFAOYSA-N -1 3 430.755 3.576 50 0 IHAAHM COc1ccc(C(=O)N2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([O-])c1 ZINC000028685388 556458690 /nfs/dbraw/zinc/45/86/90/556458690.db2.gz GHNXSTCWWPZFSY-UHFFFAOYSA-N -1 3 429.826 3.821 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NCc3ccc(CN(C)C)cc3)cc2)cc1 ZINC000015140290 556506213 /nfs/dbraw/zinc/50/62/13/556506213.db2.gz MEWISSBWDGQEOC-UHFFFAOYSA-N -1 3 437.565 3.787 50 0 IHAAHM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(CC(C)C)cc3)cc2)CC1 ZINC000033274722 556559160 /nfs/dbraw/zinc/55/91/60/556559160.db2.gz RRYLZBWPTRGBLT-UHFFFAOYSA-N -1 3 444.597 3.870 50 0 IHAAHM Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccc(F)c([N-]S(C)(=O)=O)c1 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NCWKSMAIOFYQDB-UHFFFAOYSA-N -1 3 442.310 3.545 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074598 557030711 /nfs/dbraw/zinc/03/07/11/557030711.db2.gz WSQCRVGBEPBPOZ-QGZVFWFLSA-N -1 3 434.521 3.689 50 0 IHAAHM Cc1cccc(NC(=O)C[N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1C ZINC000033279541 557062308 /nfs/dbraw/zinc/06/23/08/557062308.db2.gz GEWYJBILVLKAAO-UHFFFAOYSA-N -1 3 446.554 3.599 50 0 IHAAHM Cc1nc2cc(Cl)ccc2cc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000024865780 557175267 /nfs/dbraw/zinc/17/52/67/557175267.db2.gz ZQTLLZOSXAGNHA-UHFFFAOYSA-N -1 3 449.985 3.841 50 0 IHAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3snnc3CC)ccc2C)cc1 ZINC000024400394 557242581 /nfs/dbraw/zinc/24/25/81/557242581.db2.gz SNSNVUNXXCNONA-UHFFFAOYSA-N -1 3 446.554 3.861 50 0 IHAAHM CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1 ZINC000018157321 557244535 /nfs/dbraw/zinc/24/45/35/557244535.db2.gz IZFKBBWLZQVYJB-ZLNRFVROSA-N -1 3 445.450 3.835 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000101629383 557291924 /nfs/dbraw/zinc/29/19/24/557291924.db2.gz MTKBZGVPGWHGED-IRXDYDNUSA-N -1 3 448.491 3.749 50 0 IHAAHM CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1ccc([O-])cc1O ZINC000013114427 557296239 /nfs/dbraw/zinc/29/62/39/557296239.db2.gz DXUSHAWTTBPIBR-UHFFFAOYSA-N -1 3 441.461 3.799 50 0 IHAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000102690852 557364227 /nfs/dbraw/zinc/36/42/27/557364227.db2.gz FBYKKEJUYQCEDB-DNVJHFABSA-N -1 3 448.450 3.894 50 0 IHAAHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccco2)cc1 ZINC000102912274 557411981 /nfs/dbraw/zinc/41/19/81/557411981.db2.gz KRTFUMFAYMRUBY-BHIFYINESA-N -1 3 446.459 3.816 50 0 IHAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000051316713 557464743 /nfs/dbraw/zinc/46/47/43/557464743.db2.gz YMMVLSIWAISVHZ-UHFFFAOYSA-N -1 3 429.864 3.632 50 0 IHAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccc(Cl)cc1F ZINC000051316713 557464745 /nfs/dbraw/zinc/46/47/45/557464745.db2.gz YMMVLSIWAISVHZ-UHFFFAOYSA-N -1 3 429.864 3.632 50 0 IHAAHM COc1ccc(C([O-])=C2[C@@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000238881776 557841752 /nfs/dbraw/zinc/84/17/52/557841752.db2.gz BHFXHZDHXBBNKM-WAOWUJCRSA-N -1 3 436.430 3.923 50 0 IHAAHM CCOc1ccc(-c2nc(CSc3nc4c(nc(C)[n-]c4=O)n3C)c(C)o2)cc1OC ZINC000019625895 560094007 /nfs/dbraw/zinc/09/40/07/560094007.db2.gz HPABXSZOVHFBKO-UHFFFAOYSA-N -1 3 441.513 3.628 50 0 biogenic,in-vitro IHAAHM CCN(CC)C(=O)c1sc([N-]C(=O)c2ccc(Br)o2)c(C(=O)OC)c1C ZINC000001117276 562920447 /nfs/dbraw/zinc/92/04/47/562920447.db2.gz PVVHOJPBFUUJAQ-UHFFFAOYSA-N -1 3 443.319 3.933 50 0 IHAAHM C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccs4)o3)cc2)C1 ZINC000002456905 562927895 /nfs/dbraw/zinc/92/78/95/562927895.db2.gz RSVYERVUTYOQAF-ZIAGYGMSSA-N -1 3 446.554 3.717 50 0 IHAAHM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000000911779 568636539 /nfs/dbraw/zinc/63/65/39/568636539.db2.gz MFPKQDWDUOUWOD-UHFFFAOYSA-N -1 3 428.872 3.988 50 0 IHAAHM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032103498 568780887 /nfs/dbraw/zinc/78/08/87/568780887.db2.gz MUFIVIGLRQFUID-JOCHJYFZSA-N -1 3 427.932 3.952 50 0 IHAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[N@H+](C)CC3)cc2C(=O)[O-])cc1 ZINC000045967603 568783785 /nfs/dbraw/zinc/78/37/85/568783785.db2.gz WOBDZWJXBVCCQO-UHFFFAOYSA-N -1 3 445.585 3.526 50 0 IHAAHM CC(C)Cc1ccc(S(=O)(=O)[N-]c2ccc(N3CCC[N@@H+](C)CC3)cc2C(=O)[O-])cc1 ZINC000045967603 568783788 /nfs/dbraw/zinc/78/37/88/568783788.db2.gz WOBDZWJXBVCCQO-UHFFFAOYSA-N -1 3 445.585 3.526 50 0 IHAAHM C[C@]12CCC(=O)N1c1ccccc1C(=O)N2CCCC(=O)Nc1cc(Cl)ccc1[O-] ZINC000084674079 568799709 /nfs/dbraw/zinc/79/97/09/568799709.db2.gz JFCAPXWCKGSFSK-JOCHJYFZSA-N -1 3 427.888 3.763 50 0 IHAAHM CCOc1ccc([N-]S(=O)(=O)c2cc(-c3n[nH]c(=O)c4c3CCCC4)ccc2C)cc1 ZINC000015669374 568801947 /nfs/dbraw/zinc/80/19/47/568801947.db2.gz OVGINUGGFYMXTR-UHFFFAOYSA-N -1 3 439.537 3.824 50 0 IHAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CCc1ccc(-c2csc(C)n2)s1 ZINC000012939072 568868036 /nfs/dbraw/zinc/86/80/36/568868036.db2.gz ZZWFCQMQJRMFLH-UHFFFAOYSA-N -1 3 428.582 3.549 50 0 IHAAHM CC[C@H](C)NC(=O)c1cnc2ccc(S(=O)(=O)N(C)c3ccc(Cl)cc3)cc2c1[O-] ZINC000006181236 568868103 /nfs/dbraw/zinc/86/81/03/568868103.db2.gz WEBFOPHJLJGZAX-ZDUSSCGKSA-N -1 3 447.944 3.535 50 0 IHAAHM Cc1sc2[n-]c([C@H]3S[C@@](c4ccccc4)(C(F)(F)F)NC3=O)nc(=O)c2c1C ZINC000012946247 568871104 /nfs/dbraw/zinc/87/11/04/568871104.db2.gz HAMZKWOORWGIQF-PXAZEXFGSA-N -1 3 425.457 3.921 50 0 IHAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)NCc3ccc(OCc4ccccc4)cc3)co2)no1 ZINC000090583097 568888130 /nfs/dbraw/zinc/88/81/30/568888130.db2.gz OOXCFGYQIUBLRV-UHFFFAOYSA-N -1 3 432.436 3.732 50 0 IHAAHM O=S(=O)(/C=C/c1ccc(Cl)cc1)[N-]c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000016124232 568893558 /nfs/dbraw/zinc/89/35/58/568893558.db2.gz WZBGOIRJGFIMII-JLHYYAGUSA-N -1 3 426.947 3.537 50 0 IHAAHM 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Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc([C@]4(C)NC(=O)[N-]C4=O)cc3)c12 ZINC000036753003 569137554 /nfs/dbraw/zinc/13/75/54/569137554.db2.gz UXXXQFGVDDGLCD-DEOSSOPVSA-N -1 3 441.447 3.505 50 0 IHAAHM COc1cccc(NC(=O)CSc2nc3c(cnn3-c3ccc(Cl)cc3)c(=O)[n-]2)c1 ZINC000016960410 569168238 /nfs/dbraw/zinc/16/82/38/569168238.db2.gz IVTBLKVJUJMQAP-UHFFFAOYSA-N -1 3 441.900 3.914 50 0 IHAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(C(F)(F)F)ccc3Cl)cc3c2N1CC3 ZINC000017149731 569174851 /nfs/dbraw/zinc/17/48/51/569174851.db2.gz LHDYZQUOGOIKKN-UHFFFAOYSA-N -1 3 430.835 3.995 50 0 IHAAHM COCC[N-]S(=O)(=O)c1ccc(-c2ccc(C(=O)NC3CCCCCC3)cc2)s1 ZINC000064999725 569292574 /nfs/dbraw/zinc/29/25/74/569292574.db2.gz FAOIIICRICURKA-UHFFFAOYSA-N -1 3 436.599 3.792 50 0 IHAAHM O=C(c1ccc([N-]S(=O)(=O)CCc2ccc(C(F)(F)F)cc2)cc1)N1CCCC1 ZINC000328589982 569316863 /nfs/dbraw/zinc/31/68/63/569316863.db2.gz RFOLDGHHYVJLBA-UHFFFAOYSA-N -1 3 426.460 3.926 50 0 IHAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2cccc(F)c2)[C@@H](c2ccco2)C1 ZINC000095116586 569358322 /nfs/dbraw/zinc/35/83/22/569358322.db2.gz WCPLGZGWALSTIE-LJQANCHMSA-N -1 3 427.457 3.782 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccccc2OCCOc2ccccc2Cl)S1 ZINC000020896175 569375159 /nfs/dbraw/zinc/37/51/59/569375159.db2.gz GMALZIDNVMKPKB-LJQANCHMSA-N -1 3 433.917 3.799 50 0 IHAAHM COC(=O)C[C@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1oc(C)cc(=O)c1[O-] ZINC000096115169 569383189 /nfs/dbraw/zinc/38/31/89/569383189.db2.gz MEKDSOQZHJJKCH-LJQANCHMSA-N -1 3 438.476 3.979 50 0 biogenic IHAAHM COc1ccc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000096117769 569384243 /nfs/dbraw/zinc/38/42/43/569384243.db2.gz HFWUDNXEXUELCY-KPZWWZAWSA-N -1 3 433.530 3.511 50 0 IHAAHM COc1ccc(NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1F ZINC000096399497 569400073 /nfs/dbraw/zinc/40/00/73/569400073.db2.gz OWDQVRFJYVTBAR-UHFFFAOYSA-N -1 3 441.531 3.546 50 0 IHAAHM CCOC(=O)c1sc2[n-]c(CSc3nnc(-c4ccccc4)n3C)nc(=O)c2c1C ZINC000002615860 569410113 /nfs/dbraw/zinc/41/01/13/569410113.db2.gz ZGWLDYKODPZNRX-UHFFFAOYSA-N -1 3 441.538 3.558 50 0 IHAAHM O=C([N-]c1ncn(Cc2ccc(F)cc2)n1)c1cnn2c1nc(C1CC1)cc2C(F)F ZINC000002781980 569421236 /nfs/dbraw/zinc/42/12/36/569421236.db2.gz DCTRZVPUMAPEEU-UHFFFAOYSA-N -1 3 427.390 3.576 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000029098100 569426655 /nfs/dbraw/zinc/42/66/55/569426655.db2.gz ZVPBXZWXPOKJTB-HOCLYGCPSA-N -1 3 427.526 3.503 50 0 IHAAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1OC)c1ccccc1Cl ZINC000008955716 569490194 /nfs/dbraw/zinc/49/01/94/569490194.db2.gz QVOVFLBJPHSGSE-OAHLLOKOSA-N -1 3 432.325 3.975 50 0 IHAAHM CCN(CC)S(=O)(=O)c1cc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)ccc1F ZINC000008965808 569491580 /nfs/dbraw/zinc/49/15/80/569491580.db2.gz HALVZICGDMCDSG-UHFFFAOYSA-N -1 3 448.545 3.551 50 0 IHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@](O)(c1ccsc1)c1cccs1 ZINC000245187635 569498239 /nfs/dbraw/zinc/49/82/39/569498239.db2.gz ZRNJOYWRZZVIOR-KRWDZBQOSA-N -1 3 429.972 3.686 50 0 IHAAHM CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(Cl)ccc3[O-])[nH]n1)CCCC2 ZINC000009124343 569504248 /nfs/dbraw/zinc/50/42/48/569504248.db2.gz DRALHTHCFOOVSX-UHFFFAOYSA-N -1 3 430.917 3.988 50 0 IHAAHM CNC(=O)c1c2c(sc1NC(=O)c1cc(-c3cc(Cl)ccc3[O-])n[nH]1)CCCC2 ZINC000009124343 569504249 /nfs/dbraw/zinc/50/42/49/569504249.db2.gz DRALHTHCFOOVSX-UHFFFAOYSA-N -1 3 430.917 3.988 50 0 IHAAHM COc1ccc(CC(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccc(OC)cc3)c2)cc1 ZINC000009126904 569505056 /nfs/dbraw/zinc/50/50/56/569505056.db2.gz GFZMFQKYTBTRKF-UHFFFAOYSA-N -1 3 440.521 3.994 50 0 IHAAHM CC(C)(C)c1cc([N-]C(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)on1 ZINC000009222737 569512771 /nfs/dbraw/zinc/51/27/71/569512771.db2.gz MDKJYPBIYPHYIQ-UHFFFAOYSA-N -1 3 427.526 3.802 50 0 IHAAHM CC[C@]1(c2ccccc2)NC(=O)N([N-]C(=O)c2cccc(NC(=O)c3cccs3)c2)C1=O ZINC000009364940 569526046 /nfs/dbraw/zinc/52/60/46/569526046.db2.gz MZABITWHBIEJDZ-HSZRJFAPSA-N -1 3 448.504 3.503 50 0 IHAAHM C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000009377799 569527501 /nfs/dbraw/zinc/52/75/01/569527501.db2.gz ABKLYYYZQSFSLO-CYBMUJFWSA-N -1 3 439.928 3.732 50 0 IHAAHM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(OCC(=O)NCCc3ccccc3)cc2)c1 ZINC000009668638 569558002 /nfs/dbraw/zinc/55/80/02/569558002.db2.gz PDUKCZQNMAIHLR-UHFFFAOYSA-N -1 3 438.549 3.842 50 0 IHAAHM O=C(C[C@H]1OC(=O)c2ccccc21)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009711999 569562158 /nfs/dbraw/zinc/56/21/58/569562158.db2.gz QIXJXTVDCWOQMP-HXUWFJFHSA-N -1 3 440.452 3.867 50 0 IHAAHM Cc1ccc(-n2ncc3c2ncn([N-]C(=O)c2ccccc2C(F)(F)F)c3=O)cc1C ZINC000010252078 569579836 /nfs/dbraw/zinc/57/98/36/569579836.db2.gz YYQVMTVGEAGOEY-UHFFFAOYSA-N -1 3 427.386 3.602 50 0 IHAAHM CC(C)(C)n1ncc2c1ncn([N-]C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c2=O ZINC000010250834 569579859 /nfs/dbraw/zinc/57/98/59/569579859.db2.gz GANZBJFOFSXUFH-UHFFFAOYSA-N -1 3 447.339 3.770 50 0 IHAAHM Cc1cccc(-n2ncc3c2nc(SCC(=O)N2CCCc4ccccc42)[n-]c3=O)c1 ZINC000009595027 132322628 /nfs/dbraw/zinc/32/26/28/132322628.db2.gz WMWXVUDUYPGXFJ-UHFFFAOYSA-N -1 3 431.521 3.901 50 0 IHAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)OCc1nc2ccccc2s1 ZINC000033527669 519821186 /nfs/dbraw/zinc/82/11/86/519821186.db2.gz LZUHAOOBEDVZMB-CBUFDYBVSA-N -1 3 430.551 3.954 50 0 IHAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1C ZINC000020895619 520779717 /nfs/dbraw/zinc/77/97/17/520779717.db2.gz VGBKGFBHHOEKCF-NRFANRHFSA-N -1 3 427.526 3.974 50 0 IHAAHM CCOc1ccc(CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1OCC ZINC000012412203 520954485 /nfs/dbraw/zinc/95/44/85/520954485.db2.gz WVDJONCFVSASNZ-UHFFFAOYSA-N -1 3 434.377 3.829 50 0 IHAAHM CCC(CC)[C@@H](CNC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1)N1CCOCC1 ZINC000022898873 521603109 /nfs/dbraw/zinc/60/31/09/521603109.db2.gz SPWQZXABBFNIPG-HXUWFJFHSA-N -1 3 445.633 3.559 50 0 IHAAHM CCOC(=O)c1sc(-c2ccc(OC)cc2)cc1[N-]C(=O)c1nc2nccc(C)n2n1 ZINC000012761242 521609498 /nfs/dbraw/zinc/60/94/98/521609498.db2.gz ILHYFPMYISSLRB-UHFFFAOYSA-N -1 3 437.481 3.599 50 0 IHAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc4ccccc4c3)ccc21 ZINC000021756200 521664729 /nfs/dbraw/zinc/66/47/29/521664729.db2.gz ASDDSHWWDCVLJG-UHFFFAOYSA-N -1 3 430.551 3.743 50 0 IHAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc21 ZINC000012180485 521665005 /nfs/dbraw/zinc/66/50/05/521665005.db2.gz WQCXMISDUIYFQH-UHFFFAOYSA-N -1 3 436.599 3.823 50 0 IHAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C)ccc21 ZINC000012180519 521665040 /nfs/dbraw/zinc/66/50/40/521665040.db2.gz RGJMSZDOBOLJSR-UHFFFAOYSA-N -1 3 428.963 3.552 50 0 IHAAHM COc1cc(NC(=O)CCc2c(C)c3ccc([O-])c(C)c3oc2=O)cc(OC)c1OC ZINC000012896101 522654722 /nfs/dbraw/zinc/65/47/22/522654722.db2.gz BIDGXEALWKKUQG-UHFFFAOYSA-N -1 3 427.453 3.713 50 0 biogenic IHAAHM Cc1cccc(C)c1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1 ZINC000012136952 524303845 /nfs/dbraw/zinc/30/38/45/524303845.db2.gz SPZURNSBFLEUJA-UHFFFAOYSA-N -1 3 429.523 3.824 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)c3ccccn3)c2)cc1 ZINC000012584515 524691367 /nfs/dbraw/zinc/69/13/67/524691367.db2.gz RZYZGOILNAHOTB-MRXNPFEDSA-N -1 3 425.510 3.690 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(NC(C)=O)cc2)cc1-c1noc(C(C)(C)C)n1 ZINC000033013410 525083829 /nfs/dbraw/zinc/08/38/29/525083829.db2.gz ZXWAPYICBSDXPT-UHFFFAOYSA-N -1 3 444.513 3.802 50 0 IHAAHM Cc1cc2nc(COc3ccc([N-]S(=O)(=O)c4ccc(Cl)cc4)cc3)cc(=O)n2o1 ZINC000041085703 525674280 /nfs/dbraw/zinc/67/42/80/525674280.db2.gz MJLPJVLRWTUHLN-UHFFFAOYSA-N -1 3 445.884 3.629 50 0 IHAAHM C[C@H](OC(=O)C[N-]S(=O)(=O)C=Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035681464 525885686 /nfs/dbraw/zinc/88/56/86/525885686.db2.gz KCOQPQOQOJZKSF-XUZQSEFNSA-N -1 3 429.538 3.689 50 0 IHAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F ZINC000002276052 555764654 /nfs/dbraw/zinc/76/46/54/555764654.db2.gz VVGWFFQNUYUDJT-QGZVFWFLSA-N -1 3 432.782 3.916 50 0 IHAAHM COc1ccc(CCNC(=O)c2sc(=S)n3c4ccsc4c(=O)[n-]c23)cc1OC ZINC000002956430 556150902 /nfs/dbraw/zinc/15/09/02/556150902.db2.gz SVBHGFVFYHADFP-UHFFFAOYSA-N -1 3 447.563 3.623 50 0 IHAAHM CCn1c(SCC(=O)N2CCCCC2)nnc1-c1cc(Br)ccc1[O-] ZINC000009236156 556263851 /nfs/dbraw/zinc/26/38/51/556263851.db2.gz PQSWWGDEJUNWOC-UHFFFAOYSA-N -1 3 425.352 3.538 50 0 IHAAHM COc1ccc(C)cc1NC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000032774462 556336670 /nfs/dbraw/zinc/33/66/70/556336670.db2.gz TVUXMSXQCVXLNX-AWEZNQCLSA-N -1 3 435.509 3.957 50 0 IHAAHM CCN(CC)C(=O)COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cc1Cl ZINC000032814996 556400961 /nfs/dbraw/zinc/40/09/61/556400961.db2.gz VXKWEWWWBXGMQJ-UHFFFAOYSA-N -1 3 436.961 3.877 50 0 IHAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccccc1C(=O)NCc1ccco1 ZINC000012976014 556421576 /nfs/dbraw/zinc/42/15/76/556421576.db2.gz AQSQGOPCGUVHOY-UHFFFAOYSA-N -1 3 439.522 3.787 50 0 IHAAHM COCCOC(=O)c1sc2[n-]c(CN[C@H](C)c3ccccc3Cl)nc(=O)c2c1C ZINC000013040152 556445955 /nfs/dbraw/zinc/44/59/55/556445955.db2.gz VXPDQRZRVTXODN-GFCCVEGCSA-N -1 3 435.933 3.600 50 0 IHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)c(C)c1 ZINC000033115328 556555020 /nfs/dbraw/zinc/55/50/20/556555020.db2.gz ZEYHBPHDDBGGFY-OAQYLSRUSA-N -1 3 442.581 3.739 50 0 IHAAHM CCc1ccc([C@H](C)NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000032910436 556575710 /nfs/dbraw/zinc/57/57/10/556575710.db2.gz YLWDNPXGXVXZRB-HNNXBMFYSA-N -1 3 433.537 3.641 50 0 IHAAHM COc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000013495066 556608790 /nfs/dbraw/zinc/60/87/90/556608790.db2.gz TWZKHVKUJCFQSQ-NSHDSACASA-N -1 3 438.303 3.547 50 0 IHAAHM Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C32)cc1 ZINC000013496438 556612657 /nfs/dbraw/zinc/61/26/57/556612657.db2.gz CFXKFDBVNRLNNP-DNVJHFABSA-N -1 3 443.478 3.702 50 0 IHAAHM COCc1nnc([N-]C(=O)c2sc(-n3cccc3)nc2-c2ccc(OC)cc2)s1 ZINC000061718397 556725262 /nfs/dbraw/zinc/72/52/62/556725262.db2.gz HPWJBNJMYNXJPB-UHFFFAOYSA-N -1 3 427.511 3.860 50 0 IHAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(=O)N(Cc3ccccc3)C(C)C)cc(C(C)C)nc21 ZINC000059855460 556805219 /nfs/dbraw/zinc/80/52/19/556805219.db2.gz ATVQHEBLKOILQQ-UHFFFAOYSA-N -1 3 436.556 3.915 50 0 IHAAHM O=C(NCCOc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000023135768 557018867 /nfs/dbraw/zinc/01/88/67/557018867.db2.gz SJCAKRAZYONTQV-UHFFFAOYSA-N -1 3 430.913 3.950 50 0 IHAAHM CC(=O)N1CCSc2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc21 ZINC000032943706 557020933 /nfs/dbraw/zinc/02/09/33/557020933.db2.gz QXXAPZDCRHKCHV-UHFFFAOYSA-N -1 3 445.335 3.848 50 0 IHAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(F)cc2)CC(=O)N3)c1 ZINC000046074821 557031061 /nfs/dbraw/zinc/03/10/61/557031061.db2.gz RKYLWFQRFILZLP-MRXNPFEDSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000046074704 557031114 /nfs/dbraw/zinc/03/11/14/557031114.db2.gz WZJUDEXNWSYPFN-AWEZNQCLSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccccc1CSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1F)CC(=O)N2 ZINC000046074707 557031138 /nfs/dbraw/zinc/03/11/38/557031138.db2.gz WZJUDEXNWSYPFN-CQSZACIVSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(F)cc2)CC(=O)N3)cc1 ZINC000046074947 557031484 /nfs/dbraw/zinc/03/14/84/557031484.db2.gz SGYCGRFTWDMXFL-MRXNPFEDSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075353 557031903 /nfs/dbraw/zinc/03/19/03/557031903.db2.gz XTKWAFYZCMSVBJ-HNNXBMFYSA-N -1 3 438.484 3.574 50 0 IHAAHM O=S(=O)([N-][C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1)c1cc(Cl)ccc1Cl ZINC000206791702 557163702 /nfs/dbraw/zinc/16/37/02/557163702.db2.gz YMXGWFFTRPFAIZ-LBPRGKRZSA-N -1 3 440.274 3.964 50 0 IHAAHM Cc1sc2[n-]c(CN(C)CC(=O)NCc3ccco3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000025423215 557208971 /nfs/dbraw/zinc/20/89/71/557208971.db2.gz PERPOAFITIMVOQ-UHFFFAOYSA-N -1 3 436.537 3.610 50 0 IHAAHM CCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000027365077 557261273 /nfs/dbraw/zinc/26/12/73/557261273.db2.gz QZHCADQNBQNZLR-UHFFFAOYSA-N -1 3 443.905 3.544 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000051316426 557464218 /nfs/dbraw/zinc/46/42/18/557464218.db2.gz JBLULPAXESURDA-UHFFFAOYSA-N -1 3 435.509 3.547 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C)cc2)cc1 ZINC000051316426 557464222 /nfs/dbraw/zinc/46/42/22/557464222.db2.gz JBLULPAXESURDA-UHFFFAOYSA-N -1 3 435.509 3.547 50 0 IHAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000051316711 557464708 /nfs/dbraw/zinc/46/47/08/557464708.db2.gz DVYDXRDLKNTQEM-UHFFFAOYSA-N -1 3 429.864 3.632 50 0 IHAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccc(F)cc1Cl ZINC000051316711 557464710 /nfs/dbraw/zinc/46/47/10/557464710.db2.gz DVYDXRDLKNTQEM-UHFFFAOYSA-N -1 3 429.864 3.632 50 0 IHAAHM CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1[N-]N=c1cc(-c2ccccc2)[nH]c(C)n1 ZINC000002396724 562927369 /nfs/dbraw/zinc/92/73/69/562927369.db2.gz XJAVAOBOTQPWTJ-UHFFFAOYSA-N -1 3 444.499 3.660 50 0 IHAAHM 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CCc1nc(CN(CC(C)C)C(=O)NC(C)(C)C)[n-]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317643 569393607 /nfs/dbraw/zinc/39/36/07/569393607.db2.gz WVHCQQTZQASGFT-UHFFFAOYSA-N -1 3 428.577 3.898 50 0 IHAAHM CCN(Cc1ccccc1)C(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000096399481 569399979 /nfs/dbraw/zinc/39/99/79/569399979.db2.gz YDBLTCOWYMITQE-UHFFFAOYSA-N -1 3 435.596 3.809 50 0 IHAAHM Cc1cc2c(nc(C)n([N-]C(=O)[C@@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c2=O)s1 ZINC000002778062 569420963 /nfs/dbraw/zinc/42/09/63/569420963.db2.gz FXVZKJGOBPLLRL-MRVPVSSYSA-N -1 3 433.843 3.583 50 0 IHAAHM COC(=O)c1ccc(-c2nc([O-])c3c4ccccc4c(=O)n(Cc4ccccc4)n23)cc1 ZINC000003383073 569448927 /nfs/dbraw/zinc/44/89/27/569448927.db2.gz KZWQAKUFKXPRPT-UHFFFAOYSA-N -1 3 425.444 3.857 50 0 IHAAHM Cc1sc2[n-]c([C@@H](C)n3nnc(-c4ccc(Br)cc4)n3)nc(=O)c2c1C ZINC000031731646 569457148 /nfs/dbraw/zinc/45/71/48/569457148.db2.gz SOEQHMFGUUHDKR-SECBINFHSA-N -1 3 431.319 3.627 50 0 IHAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4cc(C)c5ccccc5n4)CC3)c2c1 ZINC000031808278 569457575 /nfs/dbraw/zinc/45/75/75/569457575.db2.gz BRSJYZIMEDSRGM-XMMPIXPASA-N -1 3 430.508 3.981 50 0 IHAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4cc(C)c5ccccc5n4)CC3)c2c1 ZINC000031808283 569457629 /nfs/dbraw/zinc/45/76/29/569457629.db2.gz BRSJYZIMEDSRGM-DEOSSOPVSA-N -1 3 430.508 3.981 50 0 IHAAHM O=C(Nc1cccc2ncccc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000008749056 569473291 /nfs/dbraw/zinc/47/32/91/569473291.db2.gz NLELDJXGWXERSR-OAHLLOKOSA-N -1 3 445.928 3.598 50 0 IHAAHM CCCn1c(=O)[n-]c(=O)c2c(C(=O)OCc3nc4ccccc4s3)cc(C(C)C)nc21 ZINC000040072548 569485962 /nfs/dbraw/zinc/48/59/62/569485962.db2.gz GDKPFVIYKVOXQH-UHFFFAOYSA-N -1 3 438.509 3.585 50 0 IHAAHM CCOc1ccccc1NC(=O)CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC000040135413 569490667 /nfs/dbraw/zinc/49/06/67/569490667.db2.gz VOJVDSHTGDFPIE-UHFFFAOYSA-N -1 3 431.920 3.734 50 0 IHAAHM O=C(NCc1ccc(Cl)cc1)[C@@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040149831 569492696 /nfs/dbraw/zinc/49/26/96/569492696.db2.gz GQGQQWYRTQYQDH-FQEVSTJZSA-N -1 3 432.904 3.815 50 0 IHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2ccccc2)[C@H]1c1ccc(OCc2ccccc2)cc1 ZINC000245328882 569504097 /nfs/dbraw/zinc/50/40/97/569504097.db2.gz QNXHNVLMCWGPBQ-BJKOFHAPSA-N -1 3 438.549 3.672 50 0 IHAAHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450479 569506323 /nfs/dbraw/zinc/50/63/23/569506323.db2.gz MVIRLISNZCQGLC-LRDDRELGSA-N -1 3 441.391 3.605 50 0 IHAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000009185138 569510068 /nfs/dbraw/zinc/51/00/68/569510068.db2.gz WIDOYZJXGXJVAM-AEFFLSMTSA-N -1 3 446.290 3.599 50 0 IHAAHM O=C(c1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3ccc(Cl)cc3)c(=O)[n-]2)C1 ZINC000009408674 569530677 /nfs/dbraw/zinc/53/06/77/569530677.db2.gz MDAGRPKSVHDQLL-QGZVFWFLSA-N -1 3 448.914 3.648 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(OC)cc3)c2)cc1 ZINC000009540010 569545749 /nfs/dbraw/zinc/54/57/49/569545749.db2.gz ZKLBIDPLMQRUMW-UHFFFAOYSA-N -1 3 442.493 3.766 50 0 IHAAHM CC1CCN(C(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)CC1 ZINC000009641295 569555606 /nfs/dbraw/zinc/55/56/06/569555606.db2.gz VCXCFVYMKJDNTI-UHFFFAOYSA-N -1 3 439.585 3.733 50 0 IHAAHM Cc1nc(N2CCN(c3ccccc3)CC2)[n-]c(=O)c1Cc1ccc(Br)cc1 ZINC000009426305 132316704 /nfs/dbraw/zinc/31/67/04/132316704.db2.gz JSGXMDIMLPBVBW-UHFFFAOYSA-N -1 3 439.357 3.758 50 0 IHAAHM CC(C)Cc1cc(C(=O)N2CCC[C@H](C(=O)c3ccc4c5c(cccc53)CC4)C2)[n-]c(=O)n1 ZINC000012597143 519429765 /nfs/dbraw/zinc/42/97/65/519429765.db2.gz BVTVSKZYTIMQJL-IBGZPJMESA-N -1 3 443.547 3.955 50 0 IHAAHM CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc21 ZINC000020530099 519635047 /nfs/dbraw/zinc/63/50/47/519635047.db2.gz BNCUNIHDAJVICL-LLVKDONJSA-N -1 3 430.404 3.520 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(C)c(C)c3)cc2)S1 ZINC000020895373 519643358 /nfs/dbraw/zinc/64/33/58/519643358.db2.gz JAGCDLDLFYQNNJ-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCCOc3ccccc3C)cc2)S1 ZINC000020895717 519643519 /nfs/dbraw/zinc/64/35/19/519643519.db2.gz GBECLUBWWLTLKK-NRFANRHFSA-N -1 3 427.526 3.844 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccc(C)c(C)c3)cc2)S1 ZINC000020895370 519643536 /nfs/dbraw/zinc/64/35/36/519643536.db2.gz JAGCDLDLFYQNNJ-OAQYLSRUSA-N -1 3 427.526 3.762 50 0 IHAAHM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(CCOC)CCC3)cc1 ZINC000035588260 519878659 /nfs/dbraw/zinc/87/86/59/519878659.db2.gz KXAUJFMYHBBQRY-UHFFFAOYSA-N -1 3 431.558 3.625 50 0 IHAAHM CCCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)c1 ZINC000012291662 520466181 /nfs/dbraw/zinc/46/61/81/520466181.db2.gz IVOIDBVVNSDLPP-WFXMLNOXSA-N -1 3 436.430 3.888 50 0 IHAAHM CCCOc1cccc([C@@H]2NC(=O)N[C@@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)c1 ZINC000035993551 520466491 /nfs/dbraw/zinc/46/64/91/520466491.db2.gz IVOIDBVVNSDLPP-LQWHRVPQSA-N -1 3 436.430 3.888 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)cc1 ZINC000021537409 521067429 /nfs/dbraw/zinc/06/74/29/521067429.db2.gz NXGWXEWXIVOKQY-UHFFFAOYSA-N -1 3 435.509 3.523 50 0 IHAAHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000021686175 521614636 /nfs/dbraw/zinc/61/46/36/521614636.db2.gz YXCNYRROGMSVPW-UHFFFAOYSA-N -1 3 430.917 3.597 50 0 IHAAHM COC(=O)C1CCN([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])c2ccccc2)CC1 ZINC000022851761 522919608 /nfs/dbraw/zinc/91/96/08/522919608.db2.gz LFAIDZLWYUQCPG-QGZVFWFLSA-N -1 3 438.509 3.731 50 0 IHAAHM CCn1c2ccc(S(=O)(=O)N3CCOCC3)cc2nc1/C(Cl)=C/c1cccc([O-])c1 ZINC000012559440 523270260 /nfs/dbraw/zinc/27/02/60/523270260.db2.gz IVIHSQCTVAQPAE-AQTBWJFISA-N -1 3 447.944 3.520 50 0 IHAAHM COc1ccc(CN2CCN(Cc3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)cc1 ZINC000022931558 524033108 /nfs/dbraw/zinc/03/31/08/524033108.db2.gz PFEWSXYBFLIPAO-UHFFFAOYSA-N -1 3 446.576 3.978 50 0 IHAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cc(C)ccc1C)[n-]c2=O ZINC000021716227 524307521 /nfs/dbraw/zinc/30/75/21/524307521.db2.gz NHKFRWFTGLPKSI-UHFFFAOYSA-N -1 3 435.509 3.877 50 0 IHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907247 524326159 /nfs/dbraw/zinc/32/61/59/524326159.db2.gz OAEILHDWAOMALA-IBGZPJMESA-N -1 3 430.501 3.505 50 0 IHAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccco3)N(C)C)cc2)c1C ZINC000012584743 524690528 /nfs/dbraw/zinc/69/05/28/524690528.db2.gz MGTSFNOLVJEKKG-NRFANRHFSA-N -1 3 441.553 3.730 50 0 IHAAHM Cc1cc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)ccc1Br ZINC000012775995 525229359 /nfs/dbraw/zinc/22/93/59/525229359.db2.gz XCXVNABXDGKNGM-OAHLLOKOSA-N -1 3 431.377 3.761 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c(F)c1 ZINC000012734587 525298378 /nfs/dbraw/zinc/29/83/78/525298378.db2.gz DCGCIDDFKCQGIF-UHFFFAOYSA-N -1 3 428.272 3.788 50 0 IHAAHM O=C(NC(=S)Nc1cc(Cl)ccc1[O-])c1cccc(I)c1 ZINC000000678814 555536337 /nfs/dbraw/zinc/53/63/37/555536337.db2.gz FLMRBOJKHQYONO-UHFFFAOYSA-N -1 3 432.670 3.777 50 0 IHAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OC2CCCC2)cc(Br)c1[O-] ZINC000000896481 555580309 /nfs/dbraw/zinc/58/03/09/555580309.db2.gz STQIJGUENXZKNT-INIZCTEOSA-N -1 3 439.306 3.619 50 0 IHAAHM Cc1nn(-c2ccccc2)c(C)c1C[N-]S(=O)(=O)c1ccc(Br)s1 ZINC000002804149 556143104 /nfs/dbraw/zinc/14/31/04/556143104.db2.gz IVBFDCLNMNSIJL-UHFFFAOYSA-N -1 3 426.361 3.792 50 0 IHAAHM Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)C2ON1c1ccccc1 ZINC000013811309 556312530 /nfs/dbraw/zinc/31/25/30/556312530.db2.gz JRCAJBKWMVHQDJ-VSKRKVRLSA-N -1 3 428.444 3.744 50 0 IHAAHM O=C([N-]C1=NCCS1)[C@@H](NC(=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 ZINC000009909550 556316610 /nfs/dbraw/zinc/31/66/10/556316610.db2.gz ROKYQAIEUGWJDW-IYZRDUGGSA-N -1 3 431.989 3.874 50 0 IHAAHM O=S(=O)([N-]C[C@@H]1CN(Cc2ccccc2)CCO1)c1ccc(Cl)cc1C(F)(F)F ZINC000014085160 556364246 /nfs/dbraw/zinc/36/42/46/556364246.db2.gz IBVICRSVRPSYIS-MRXNPFEDSA-N -1 3 448.894 3.538 50 0 IHAAHM O=S(=O)([N-]CCCOc1ccccc1)c1cc(Br)ccc1Br ZINC000032811128 556398316 /nfs/dbraw/zinc/39/83/16/556398316.db2.gz LXMWYWRVZVAQID-UHFFFAOYSA-N -1 3 449.164 3.959 50 0 IHAAHM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SC[C@@]1(C)NC(=O)[N-]C1=O ZINC000032820586 556412417 /nfs/dbraw/zinc/41/24/17/556412417.db2.gz JGWDIKSFKXHBHK-HSZRJFAPSA-N -1 3 438.553 3.538 50 0 IHAAHM Cc1ccc(-c2nnc(SCCCNc3c[nH]c(=O)[n-]c3=O)n2-c2ccc(C)cc2)cc1 ZINC000028047648 556443043 /nfs/dbraw/zinc/44/30/43/556443043.db2.gz HGGBKRUSWRHYBD-UHFFFAOYSA-N -1 3 448.552 3.522 50 0 IHAAHM COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015045359 556489813 /nfs/dbraw/zinc/48/98/13/556489813.db2.gz SYXZEBBNKMUFLZ-UHFFFAOYSA-N -1 3 431.920 3.652 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(C(=O)N3CCCCC3)c2)cc1Cl ZINC000013568852 556521228 /nfs/dbraw/zinc/52/12/28/556521228.db2.gz CIKZMZWXZRBDEE-UHFFFAOYSA-N -1 3 438.933 3.784 50 0 IHAAHM CCOC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1OCC)C(F)(F)F ZINC000003103566 556522834 /nfs/dbraw/zinc/52/28/34/556522834.db2.gz XMQROMUHPZJWIQ-LJQANCHMSA-N -1 3 428.382 3.888 50 0 IHAAHM CN(C)[C@@H](CNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000015372431 556523416 /nfs/dbraw/zinc/52/34/16/556523416.db2.gz MVDXAXHEAVPINB-IBGZPJMESA-N -1 3 429.567 3.582 50 0 IHAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccc(Cl)cc1 ZINC000013591873 556530122 /nfs/dbraw/zinc/53/01/22/556530122.db2.gz DTRQURRXEMXZLL-INIZCTEOSA-N -1 3 425.872 3.793 50 0 IHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3cccc(Cl)c3Cl)n2)N1 ZINC000017101049 556665947 /nfs/dbraw/zinc/66/59/47/556665947.db2.gz OMTONJUTHRXOOE-OAHLLOKOSA-N -1 3 437.205 3.699 50 0 IHAAHM CC(=O)c1cccc(NC(=O)CSc2nc3c(c(=O)[n-]2)CN(Cc2ccccc2)CC3)c1 ZINC000033028768 556709227 /nfs/dbraw/zinc/70/92/27/556709227.db2.gz VPNYVHRHEVVKAF-UHFFFAOYSA-N -1 3 448.548 3.674 50 0 IHAAHM O=C([N-]c1ccccc1F)c1nnc(C2CCN(C(=O)NCc3ccco3)CC2)s1 ZINC000033114133 556860978 /nfs/dbraw/zinc/86/09/78/556860978.db2.gz AASHLUZRIAXQOM-UHFFFAOYSA-N -1 3 429.477 3.612 50 0 IHAAHM COc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccco2)c1 ZINC000097105766 556987889 /nfs/dbraw/zinc/98/78/89/556987889.db2.gz BLORHAQFZSMJAX-HXUWFJFHSA-N -1 3 439.493 3.651 50 0 IHAAHM Cc1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2-c2ccccc2)c(Cl)c1 ZINC000020357106 557011099 /nfs/dbraw/zinc/01/10/99/557011099.db2.gz JIHAJWPZAVBWEV-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074342 557030726 /nfs/dbraw/zinc/03/07/26/557030726.db2.gz WARRHGSPGJCXMH-GOSISDBHSA-N -1 3 448.548 3.732 50 0 IHAAHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000046074826 557031008 /nfs/dbraw/zinc/03/10/08/557031008.db2.gz OFBZTHXLJMSUPX-KRWDZBQOSA-N -1 3 448.548 3.998 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(C)cc4)[n-]c(=O)c32)cc1 ZINC000046074956 557031437 /nfs/dbraw/zinc/03/14/37/557031437.db2.gz ZSITWJUYHALNMR-GOSISDBHSA-N -1 3 448.548 3.998 50 0 IHAAHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccccc3F)[n-]c(=O)c21 ZINC000046075243 557031463 /nfs/dbraw/zinc/03/14/63/557031463.db2.gz ZENUKFAPGYYCRL-CQSZACIVSA-N -1 3 438.484 3.574 50 0 IHAAHM CCOc1ccccc1-c1noc(CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2)n1 ZINC000033292199 557070072 /nfs/dbraw/zinc/07/00/72/557070072.db2.gz HPIMGNPBWGZLLF-UHFFFAOYSA-N -1 3 446.492 3.850 50 0 IHAAHM CCOc1ccccc1-c1noc(CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2)n1 ZINC000033292199 557070076 /nfs/dbraw/zinc/07/00/76/557070076.db2.gz HPIMGNPBWGZLLF-UHFFFAOYSA-N -1 3 446.492 3.850 50 0 IHAAHM Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)sc2[n-]c(Cc3ccccc3)nc(=O)c12 ZINC000023236413 557075885 /nfs/dbraw/zinc/07/58/85/557075885.db2.gz PXSFIBZGPAJVLS-MRXNPFEDSA-N -1 3 436.537 3.510 50 0 IHAAHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCOCC1)c1ccc(Br)s1 ZINC000049520944 557114183 /nfs/dbraw/zinc/11/41/83/557114183.db2.gz KBTWWKADZVEPTB-UHFFFAOYSA-N -1 3 434.352 3.676 50 0 IHAAHM Cc1sc2[n-]c(CN3CCN(C(=O)c4ccco4)CC3)nc(=O)c2c1-c1ccc(C)cc1 ZINC000023936605 557126553 /nfs/dbraw/zinc/12/65/53/557126553.db2.gz PLQVDAIKMYHZGS-UHFFFAOYSA-N -1 3 448.548 3.819 50 0 IHAAHM Cc1cc(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ccc1C(C)C ZINC000011449681 557148705 /nfs/dbraw/zinc/14/87/05/557148705.db2.gz NFYMLSUVNNDOPY-UHFFFAOYSA-N -1 3 436.599 3.528 50 0 IHAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450682 557149448 /nfs/dbraw/zinc/14/94/48/557149448.db2.gz BTJYIKFURNNMCD-UHFFFAOYSA-N -1 3 442.990 3.528 50 0 IHAAHM CSc1ccc(Cl)c(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000011450757 557149501 /nfs/dbraw/zinc/14/95/01/557149501.db2.gz WEGVHLNVIFYETG-UHFFFAOYSA-N -1 3 431.004 3.707 50 0 IHAAHM Cc1ccc(OCc2nc(CC(=O)Nc3ccccc3[N-]S(C)(=O)=O)cs2)cc1 ZINC000024892451 557177297 /nfs/dbraw/zinc/17/72/97/557177297.db2.gz VYTDUCGEFJDQBX-UHFFFAOYSA-N -1 3 431.539 3.583 50 0 IHAAHM CCCCOc1ccc(N2C(=O)[C@@H]3C(c4ccc(Br)cc4)=NOC3=C2[O-])cc1 ZINC000100872747 557195665 /nfs/dbraw/zinc/19/56/65/557195665.db2.gz JMUHLGHJSMADLW-MJGOQNOKSA-N -1 3 443.297 3.921 50 0 IHAAHM CCc1ccc(S(=O)(=O)[N-]c2cc(Br)ccc2N2CCN(C)CC2)cc1 ZINC000072270845 557262489 /nfs/dbraw/zinc/26/24/89/557262489.db2.gz WNRLLJXUQMVGKR-UHFFFAOYSA-N -1 3 438.391 3.564 50 0 IHAAHM Cc1ccc(-c2n[n-]c(=S)n2CCC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 ZINC000027593052 557267223 /nfs/dbraw/zinc/26/72/23/557267223.db2.gz SPJARLJIXSHKLC-IBGZPJMESA-N -1 3 427.549 3.864 50 0 IHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000102557244 557358950 /nfs/dbraw/zinc/35/89/50/557358950.db2.gz SECGSVQQLYOHTO-DOTOQJQBSA-N -1 3 449.688 3.712 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccccc2CC)cc1 ZINC000051316430 557464336 /nfs/dbraw/zinc/46/43/36/557464336.db2.gz TVELASYBHNLTPH-UHFFFAOYSA-N -1 3 449.536 3.801 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccccc2CC)cc1 ZINC000051316430 557464338 /nfs/dbraw/zinc/46/43/38/557464338.db2.gz TVELASYBHNLTPH-UHFFFAOYSA-N -1 3 449.536 3.801 50 0 IHAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)cc1F ZINC000051316815 557465874 /nfs/dbraw/zinc/46/58/74/557465874.db2.gz UNUYRYUCRXWFKG-UHFFFAOYSA-N -1 3 445.426 3.565 50 0 IHAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)cc1F ZINC000051316815 557465875 /nfs/dbraw/zinc/46/58/75/557465875.db2.gz UNUYRYUCRXWFKG-UHFFFAOYSA-N -1 3 445.426 3.565 50 0 IHAAHM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccs4)o3)cc2)C1 ZINC000002456907 562927902 /nfs/dbraw/zinc/92/79/02/562927902.db2.gz RSVYERVUTYOQAF-KBPBESRZSA-N -1 3 446.554 3.717 50 0 IHAAHM O=C(C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1)N1CCc2ccccc21 ZINC000002938546 562930860 /nfs/dbraw/zinc/93/08/60/562930860.db2.gz HOCGKJUXXNLXLY-GOSISDBHSA-N -1 3 430.913 3.932 50 0 IHAAHM COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)[N-]c2nc(CC(C)=O)ns2)cc1 ZINC000003227429 562933049 /nfs/dbraw/zinc/93/30/49/562933049.db2.gz MWNZCQZNNMSJTI-UHFFFAOYSA-N -1 3 433.493 3.783 50 0 IHAAHM CCOc1ccc2nc(NC(=O)[C@H]([N-]S(=O)(=O)c3cccs3)C(C)C)sc2c1 ZINC000004034901 562940998 /nfs/dbraw/zinc/94/09/98/562940998.db2.gz BAICABIORUBNLY-MRXNPFEDSA-N -1 3 439.584 3.698 50 0 IHAAHM O=C1C[C@H](C[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CN1c1ccc(Cl)cc1 ZINC000009036792 562966686 /nfs/dbraw/zinc/96/66/86/562966686.db2.gz JWQSMPHIKLOFAC-GFCCVEGCSA-N -1 3 432.851 3.690 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2I)c2cccnc12 ZINC000001089583 568658260 /nfs/dbraw/zinc/65/82/60/568658260.db2.gz QSHDAPHLLQRJRQ-UHFFFAOYSA-N -1 3 440.262 3.649 50 0 IHAAHM COC(=O)C[C@H](c1cccnc1)c1oc(CSc2ccccc2OC)cc(=O)c1[O-] ZINC000085875282 568838157 /nfs/dbraw/zinc/83/81/57/568838157.db2.gz TUIXUCMTNRXEGM-MRXNPFEDSA-N -1 3 427.478 3.736 50 0 biogenic IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCCOc2ccccc2)S1 ZINC000015833008 568842530 /nfs/dbraw/zinc/84/25/30/568842530.db2.gz GHGUOSNZOAJKLL-NRFANRHFSA-N -1 3 427.526 3.844 50 0 IHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cc(-c2ccncc2)n(C2CCCC2)n1 ZINC000090607151 568889656 /nfs/dbraw/zinc/88/96/56/568889656.db2.gz LDPLGDSSHREUCY-UHFFFAOYSA-N -1 3 430.505 3.686 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(N3CCCC3)c(NC(=O)c3ccco3)c2)cc1 ZINC000089453605 568925300 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O=C(N[C@@H]1CCCc2ccccc21)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597748 569550968 /nfs/dbraw/zinc/55/09/68/569550968.db2.gz VUIDOEDHKMLRHR-TZIWHRDSSA-N -1 3 426.563 3.962 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(=O)c3ccc(F)cc3)c2)cc1 ZINC000009671334 569558489 /nfs/dbraw/zinc/55/84/89/569558489.db2.gz PRPNWIXVZRYMME-UHFFFAOYSA-N -1 3 430.457 3.896 50 0 IHAAHM Cc1cc2c(nc(SCC(=O)Nc3ccccc3[O-])n(Cc3ccco3)c2=O)s1 ZINC000009970682 569576201 /nfs/dbraw/zinc/57/62/01/569576201.db2.gz PGHSOMYLDFPWQV-UHFFFAOYSA-N -1 3 427.507 3.844 50 0 IHAAHM COc1cccc(Cc2nc3c(c(=O)[n-]2)CN(C(=O)c2ccc(Cl)cc2Cl)CC3)c1 ZINC000016531284 569586741 /nfs/dbraw/zinc/58/67/41/569586741.db2.gz KHSZXVTZKKELLF-UHFFFAOYSA-N -1 3 444.318 3.875 50 0 IHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(-c3ccc(N4CCOCC4)nn3)c2)c(C)c1 ZINC000009529571 132320608 /nfs/dbraw/zinc/32/06/08/132320608.db2.gz RMRTZRKZYYTSJU-UHFFFAOYSA-N -1 3 438.553 3.706 50 0 IHAAHM CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)cc21 ZINC000020530100 519636053 /nfs/dbraw/zinc/63/60/53/519636053.db2.gz BNCUNIHDAJVICL-NSHDSACASA-N -1 3 430.404 3.520 50 0 IHAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)CC1 ZINC000022853505 520582018 /nfs/dbraw/zinc/58/20/18/520582018.db2.gz VDRRKCSWJUAPAW-GOSISDBHSA-N -1 3 428.558 3.732 50 0 IHAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccccn2)C3=O)cc1 ZINC000020730069 523072401 /nfs/dbraw/zinc/07/24/01/523072401.db2.gz YLDGTXWPZIIWID-HSZRJFAPSA-N -1 3 428.448 3.944 50 0 IHAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2ccccn2)C3=O)cc1 ZINC000020730069 523072405 /nfs/dbraw/zinc/07/24/05/523072405.db2.gz YLDGTXWPZIIWID-HSZRJFAPSA-N -1 3 428.448 3.944 50 0 IHAAHM CN(Cc1ccsc1)C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000012742778 523483087 /nfs/dbraw/zinc/48/30/87/523483087.db2.gz VFPOLJPLUKHEBL-UHFFFAOYSA-N -1 3 445.957 3.987 50 0 IHAAHM CCc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccccc3OC)c(=O)[n-]2)cc1 ZINC000021716231 523974468 /nfs/dbraw/zinc/97/44/68/523974468.db2.gz UOEHYSMVAFQPKO-UHFFFAOYSA-N -1 3 435.509 3.823 50 0 IHAAHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(N2CCCS2(=O)=O)cc1 ZINC000012630412 524200878 /nfs/dbraw/zinc/20/08/78/524200878.db2.gz CAZHCELYDATFIT-UHFFFAOYSA-N -1 3 436.599 3.942 50 0 IHAAHM C[C@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621473 525166294 /nfs/dbraw/zinc/16/62/94/525166294.db2.gz QIWVAKXXLGRKRW-KKSFZXQISA-N -1 3 444.503 3.732 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NCC(C)(C)N3CCCCC3)c2)cc1 ZINC000012604592 525303963 /nfs/dbraw/zinc/30/39/63/525303963.db2.gz BFEUYJKCJBLKJS-UHFFFAOYSA-N -1 3 429.586 3.790 50 0 IHAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000012849147 525511903 /nfs/dbraw/zinc/51/19/03/525511903.db2.gz VMSWANPMVRCYEL-LBPRGKRZSA-N -1 3 426.560 3.610 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@@H](c3ccco3)N(C)C)c2)cc1F ZINC000012630382 525612448 /nfs/dbraw/zinc/61/24/48/525612448.db2.gz UBBLZYMVLDDEGJ-FQEVSTJZSA-N -1 3 445.516 3.561 50 0 IHAAHM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548486 525618521 /nfs/dbraw/zinc/61/85/21/525618521.db2.gz JNMIOQXTGQOHPW-LHSJRXKWSA-N -1 3 442.468 3.794 50 0 IHAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000022024147 526719553 /nfs/dbraw/zinc/71/95/53/526719553.db2.gz GFWOBZRHELPXAM-UHFFFAOYSA-N -1 3 433.462 3.784 50 0 IHAAHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)OCc1c(F)cccc1Cl ZINC000001115756 555634249 /nfs/dbraw/zinc/63/42/49/555634249.db2.gz BZWVEHHNMFTRQO-UHFFFAOYSA-N -1 3 426.680 3.808 50 0 IHAAHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Br ZINC000001139192 555648850 /nfs/dbraw/zinc/64/88/50/555648850.db2.gz XRPHKOHTFJPSOV-UHFFFAOYSA-N -1 3 439.331 3.582 50 0 IHAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCc2ccccc2)cc(Br)c1[O-] ZINC000001189371 555675588 /nfs/dbraw/zinc/67/55/88/555675588.db2.gz QHVLGRGQRDCCRF-KRWDZBQOSA-N -1 3 447.285 3.535 50 0 IHAAHM Cn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc(Br)ccc1[O-] ZINC000002886480 555858391 /nfs/dbraw/zinc/85/83/91/555858391.db2.gz ORWRNDGIUAROPJ-UHFFFAOYSA-N -1 3 437.294 3.820 50 0 IHAAHM COCc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241193 556081964 /nfs/dbraw/zinc/08/19/64/556081964.db2.gz RRMSPNKGBOSWLD-BEFAXECRSA-N -1 3 447.557 3.649 50 0 IHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccccc3)cc2)cc1 ZINC000008399706 556165640 /nfs/dbraw/zinc/16/56/40/556165640.db2.gz LNPOMRDYJURMTF-UHFFFAOYSA-N -1 3 426.494 3.904 50 0 IHAAHM CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(OCC)c2)C1=O ZINC000008875150 556230264 /nfs/dbraw/zinc/23/02/64/556230264.db2.gz MYHUMBNGGNEEAQ-TVNQGELYSA-N -1 3 444.303 3.541 50 0 IHAAHM CCc1nnsc1C(=O)[N-]c1cc(S(=O)(=O)N(CC)c2ccccc2)ccc1OC ZINC000032740654 556301781 /nfs/dbraw/zinc/30/17/81/556301781.db2.gz QUISNKGRICAMSG-UHFFFAOYSA-N -1 3 446.554 3.577 50 0 IHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C)c(Br)c1 ZINC000032770651 556334861 /nfs/dbraw/zinc/33/48/61/556334861.db2.gz QIMYPTZYPJCTRU-CYBMUJFWSA-N -1 3 426.332 3.974 50 0 IHAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(F)cc1F ZINC000032774466 556336706 /nfs/dbraw/zinc/33/67/06/556336706.db2.gz OQANZFAHHFBDBQ-NSHDSACASA-N -1 3 427.436 3.919 50 0 IHAAHM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000014638297 556430567 /nfs/dbraw/zinc/43/05/67/556430567.db2.gz VPJGIFBCPZEDGW-SFHVURJKSA-N -1 3 435.908 3.562 50 0 IHAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 ZINC000033024270 556694887 /nfs/dbraw/zinc/69/48/87/556694887.db2.gz OAIHWQJEJUXWOW-IBGZPJMESA-N -1 3 445.516 3.561 50 0 IHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1 ZINC000008977183 556852231 /nfs/dbraw/zinc/85/22/31/556852231.db2.gz RPPNOMAHHRXJHD-UHFFFAOYSA-N -1 3 426.494 3.678 50 0 IHAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1 ZINC000033129748 556868955 /nfs/dbraw/zinc/86/89/55/556868955.db2.gz QKTOPBSTDLBOJZ-UHFFFAOYSA-N -1 3 441.597 3.824 50 0 IHAAHM CN1CCN(c2ccc(Br)cc2[N-]S(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000072270844 557004598 /nfs/dbraw/zinc/00/45/98/557004598.db2.gz SBFFMAZYXKUTDG-UHFFFAOYSA-N -1 3 444.782 3.655 50 0 IHAAHM O=C(Nc1ccc(Cl)cc1)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046074561 557030747 /nfs/dbraw/zinc/03/07/47/557030747.db2.gz FIPDWYPTDXFUOB-OAHLLOKOSA-N -1 3 440.912 3.780 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N4CCCC4)nc(C)n3)cc2)cc1 ZINC000033318469 557099834 /nfs/dbraw/zinc/09/98/34/557099834.db2.gz GWLYEICHNLBYHG-UHFFFAOYSA-N -1 3 439.541 3.938 50 0 IHAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049609493 557115113 /nfs/dbraw/zinc/11/51/13/557115113.db2.gz OOAVDXCPTODBBK-GOSISDBHSA-N -1 3 426.480 3.511 50 0 IHAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049609493 557115119 /nfs/dbraw/zinc/11/51/19/557115119.db2.gz OOAVDXCPTODBBK-GOSISDBHSA-N -1 3 426.480 3.511 50 0 IHAAHM CCOC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000017992718 557136734 /nfs/dbraw/zinc/13/67/34/557136734.db2.gz BOJUQTZEHLILDF-FUHWJXTLSA-N -1 3 446.290 3.599 50 0 IHAAHM COc1c(Br)cc(Cl)cc1S(=O)(=O)[N-][C@@H](CN(C)C)c1ccccc1 ZINC000024376008 557145777 /nfs/dbraw/zinc/14/57/77/557145777.db2.gz MUKLVMQYUWKVCI-HNNXBMFYSA-N -1 3 447.782 3.692 50 0 IHAAHM O=C(CCc1ccc(-c2ccccc2)o1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450372 557149098 /nfs/dbraw/zinc/14/90/98/557149098.db2.gz MFNVTQXWRUQBNF-UHFFFAOYSA-N -1 3 444.578 3.910 50 0 IHAAHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 ZINC000024576517 557151844 /nfs/dbraw/zinc/15/18/44/557151844.db2.gz ZCIBRTNFITWCKX-HZPDHXFCSA-N -1 3 427.530 3.792 50 0 IHAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1cccc(C(F)(F)F)c1 ZINC000100830988 557190708 /nfs/dbraw/zinc/19/07/08/557190708.db2.gz INAZODZJDLWUPH-HIFRSBDPSA-N -1 3 439.187 3.760 50 0 IHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc(-c3ccco3)nn2-c2ccccc2)ccc1F ZINC000025670559 557221218 /nfs/dbraw/zinc/22/12/18/557221218.db2.gz CWHXCFDMBZLLGK-UHFFFAOYSA-N -1 3 440.456 3.895 50 0 IHAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000018151772 557243835 /nfs/dbraw/zinc/24/38/35/557243835.db2.gz MURCILWVRZTRIQ-ZLNRFVROSA-N -1 3 448.450 3.894 50 0 IHAAHM COc1ccc(NC(=O)[N-]c2snnc2C(=O)N2CCCC[C@@H]2c2cccnc2)cc1 ZINC000101376903 557281428 /nfs/dbraw/zinc/28/14/28/557281428.db2.gz MGQBFKQMRABGOE-QGZVFWFLSA-N -1 3 438.513 3.953 50 0 IHAAHM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2cccc(F)c2)C1 ZINC000102896647 557411242 /nfs/dbraw/zinc/41/12/42/557411242.db2.gz LBZWKNDPUBTGPH-RHSMWYFYSA-N -1 3 432.521 3.562 50 0 IHAAHM O=S(=O)([N-]c1cc(Cl)cnc1Br)c1ccc(OCC(F)F)cc1 ZINC000408518761 557412709 /nfs/dbraw/zinc/41/27/09/557412709.db2.gz YHLPAMGKSPQNFO-UHFFFAOYSA-N -1 3 427.654 3.942 50 0 IHAAHM COc1cccc2c(=O)c(C)c(C(=O)N3CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C3)[n-]c12 ZINC000225615566 557752658 /nfs/dbraw/zinc/75/26/58/557752658.db2.gz CWFRQBLZCAQINQ-INIZCTEOSA-N -1 3 443.544 3.564 50 0 IHAAHM CCCn1c(=O)[n-]nc1SCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000018524054 557829360 /nfs/dbraw/zinc/82/93/60/557829360.db2.gz NKPOISNCWMEMMJ-UHFFFAOYSA-N -1 3 429.477 3.516 50 0 IHAAHM CSCC[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)OCc1ccccc1Cl ZINC000002649513 562929221 /nfs/dbraw/zinc/92/92/21/562929221.db2.gz BXKXVOQGFBLEQT-INIZCTEOSA-N -1 3 431.938 3.623 50 0 IHAAHM O=C(N[C@@H]1CCCc2ccccc21)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000009673328 562975290 /nfs/dbraw/zinc/97/52/90/562975290.db2.gz KVBBYHPAYRZSOB-RTWAWAEBSA-N -1 3 440.590 3.832 50 0 IHAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCOC12CC3CC(CC(C3)C1)C2 ZINC000005941252 568739054 /nfs/dbraw/zinc/73/90/54/568739054.db2.gz ZTAHTQALWKRWKH-UHFFFAOYSA-N -1 3 444.391 3.721 50 0 IHAAHM CCOc1ccc(-n2c([O-])c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)cc1 ZINC000002092240 568742812 /nfs/dbraw/zinc/74/28/12/568742812.db2.gz JDSWHTFDKDIPCS-FQEVSTJZSA-N -1 3 434.521 3.716 50 0 biogenic IHAAHM CCOc1ccc(-n2c(O)c([C@@H]3NCCc4c5ccccc5[nH]c43)c(=O)[n-]c2=S)cc1 ZINC000002092240 568742813 /nfs/dbraw/zinc/74/28/13/568742813.db2.gz JDSWHTFDKDIPCS-FQEVSTJZSA-N -1 3 434.521 3.716 50 0 biogenic IHAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccccc1Cl ZINC000015832871 568842226 /nfs/dbraw/zinc/84/22/26/568842226.db2.gz CRHMRNNYDADNOX-IBGZPJMESA-N -1 3 433.917 3.929 50 0 IHAAHM Cc1cc(C)n([C@@H](C[N-]S(=O)(=O)c2ccc(Br)s2)c2ccsc2)n1 ZINC000575612933 568879560 /nfs/dbraw/zinc/87/95/60/568879560.db2.gz DNXAPXZZOJNMSY-ZDUSSCGKSA-N -1 3 446.417 3.953 50 0 IHAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(CC(C)C)cc3)c(C(=O)[O-])c2)CC1 ZINC000064461951 568929662 /nfs/dbraw/zinc/92/96/62/568929662.db2.gz MKCRUJRGCZSVKF-UHFFFAOYSA-N -1 3 445.585 3.526 50 0 IHAAHM COC(=O)[C@@]([N-]c1nc2c(s1)CCCC2)(NC(=O)c1ccccc1Cl)C(F)(F)F ZINC000002050299 568940728 /nfs/dbraw/zinc/94/07/28/568940728.db2.gz HBTACSFDLYDDGM-KRWDZBQOSA-N -1 3 447.866 3.949 50 0 IHAAHM Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccccc3F)cn2C)sc1C(=O)N1CCCC1 ZINC000065137389 569110356 /nfs/dbraw/zinc/11/03/56/569110356.db2.gz OIAIQLSLZGMYDO-UHFFFAOYSA-N -1 3 448.545 3.633 50 0 IHAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccc(C(F)(F)F)s2)C3)cc1 ZINC000065260306 569124043 /nfs/dbraw/zinc/12/40/43/569124043.db2.gz MAZMASFPMWWCHB-UHFFFAOYSA-N -1 3 435.427 3.724 50 0 IHAAHM CN(C)Cc1ccc(S(=O)(=O)[N-]C(=O)c2csc(-c3ccccc3Cl)n2)cc1 ZINC000170617236 569147172 /nfs/dbraw/zinc/14/71/72/569147172.db2.gz SZQDXIRHFUEFDM-UHFFFAOYSA-N -1 3 435.958 3.644 50 0 IHAAHM CC(=O)n1c2ccccc2nc1SCC(=O)[N-]C1=NN=C(c2ccc(C)cc2)CS1 ZINC000010059414 569152198 /nfs/dbraw/zinc/15/21/98/569152198.db2.gz VYCJSECIMROAOJ-UHFFFAOYSA-N -1 3 437.550 3.720 50 0 IHAAHM Cc1cccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)c2cccs2)c1 ZINC000017135507 569174415 /nfs/dbraw/zinc/17/44/15/569174415.db2.gz CAZJUIWIIJSLJH-UHFFFAOYSA-N -1 3 448.591 3.999 50 0 IHAAHM Cc1ccc(C(=O)N2N[C@H](c3ccc(F)cc3)[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C32)cc1 ZINC000195361848 569203321 /nfs/dbraw/zinc/20/33/21/569203321.db2.gz HSCXWVCBXQDGDC-ZRBLBEILSA-N -1 3 443.478 3.702 50 0 IHAAHM CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000079016092 569322095 /nfs/dbraw/zinc/32/20/95/569322095.db2.gz ZDJYBTNPQCUXNT-IBGZPJMESA-N -1 3 448.516 3.573 50 0 IHAAHM CC(C)c1ccc(NC(=O)CC[N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000020137222 569335890 /nfs/dbraw/zinc/33/58/90/569335890.db2.gz LKSSWJUIFXMMLR-UHFFFAOYSA-N -1 3 431.377 3.941 50 0 IHAAHM NC(=O)c1cc(NC(=O)c2ccc([N-]S(=O)(=O)/C=C\c3ccccc3)cc2)ccc1F ZINC000096305459 569392163 /nfs/dbraw/zinc/39/21/63/569392163.db2.gz VJJBPHHMISNENU-SEYXRHQNSA-N -1 3 439.468 3.590 50 0 IHAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)NCc1ccc(C)cc1)C3 ZINC000096326888 569396170 /nfs/dbraw/zinc/39/61/70/569396170.db2.gz MCOJQSOMEOHGLH-UHFFFAOYSA-N -1 3 425.916 3.585 50 0 IHAAHM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2Br)n1 ZINC000096379751 569398141 /nfs/dbraw/zinc/39/81/41/569398141.db2.gz DYDNPTBOQAKUAQ-UHFFFAOYSA-N -1 3 425.308 3.862 50 0 IHAAHM CCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccc(Cl)s3)o2)cc1 ZINC000002494191 569405737 /nfs/dbraw/zinc/40/57/37/569405737.db2.gz OLNVOZARNKKTMW-UHFFFAOYSA-N -1 3 440.934 3.734 50 0 IHAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCO2 ZINC000002746691 569420193 /nfs/dbraw/zinc/42/01/93/569420193.db2.gz STYJXIJSLYDVDF-JOCHJYFZSA-N -1 3 431.448 3.726 50 0 IHAAHM CCc1nnc([N-]C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)s1 ZINC000003241555 569442616 /nfs/dbraw/zinc/44/26/16/569442616.db2.gz NQQTZCOLNDKKPE-UHFFFAOYSA-N -1 3 428.967 3.571 50 0 IHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 ZINC000008966266 569491711 /nfs/dbraw/zinc/49/17/11/569491711.db2.gz MHFWBBFOFWFNCS-UHFFFAOYSA-N -1 3 446.529 3.766 50 0 IHAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)c2cc3cc(OC)ccc3nc2C)cc1OC ZINC000040157541 569494305 /nfs/dbraw/zinc/49/43/05/569494305.db2.gz NFNGPMYGBHWFSA-UHFFFAOYSA-N -1 3 429.498 3.574 50 0 IHAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-][C@@H]3CCCC[C@@H]3C)cc21 ZINC000040450315 569506243 /nfs/dbraw/zinc/50/62/43/569506243.db2.gz KXKYUQBDPZRHGN-SWLSCSKDSA-N -1 3 429.380 3.605 50 0 IHAAHM COc1ccccc1[C@@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1ccco1 ZINC000009060590 569499453 /nfs/dbraw/zinc/49/94/53/569499453.db2.gz QCNYTURJSKHHGX-IBGZPJMESA-N -1 3 439.493 3.651 50 0 IHAAHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1 ZINC000009165885 569508881 /nfs/dbraw/zinc/50/88/81/569508881.db2.gz DNNWDFFFKOLDDI-UHFFFAOYSA-N -1 3 432.542 3.904 50 0 IHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1C ZINC000009170256 569509287 /nfs/dbraw/zinc/50/92/87/569509287.db2.gz TXZKPCLOXGQWDK-UHFFFAOYSA-N -1 3 432.542 3.966 50 0 IHAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(OC)c(OC)c3)ccc2OCC(C)(C)C1=O ZINC000009171735 569509512 /nfs/dbraw/zinc/50/95/12/569509512.db2.gz IHICKSXOWOEBBW-UHFFFAOYSA-N -1 3 448.541 3.666 50 0 IHAAHM C[C@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000009255944 569516675 /nfs/dbraw/zinc/51/66/75/569516675.db2.gz YLITXDXWRFIKEC-LBPRGKRZSA-N -1 3 425.901 3.882 50 0 IHAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)Nc1ccc2c(c1)OCO2 ZINC000009356492 569525545 /nfs/dbraw/zinc/52/55/45/569525545.db2.gz FQZONSVHANBTPO-UHFFFAOYSA-N -1 3 440.477 3.542 50 0 IHAAHM Nc1nc(COC(=O)c2cccc([N-]S(=O)(=O)Cc3ccccc3)c2)nc2ccccc12 ZINC000070017374 569528612 /nfs/dbraw/zinc/52/86/12/569528612.db2.gz ALGJSSCTDWHFBF-UHFFFAOYSA-N -1 3 448.504 3.511 50 0 IHAAHM CCOC(=O)c1c([N-]C(=O)c2c(F)cccc2F)sc2c1CCN(C(=O)OCC)C2 ZINC000009639303 569555170 /nfs/dbraw/zinc/55/51/70/569555170.db2.gz WUHANRPGXBSVMV-UHFFFAOYSA-N -1 3 438.452 3.970 50 0 IHAAHM CCOC(=O)c1c(C)oc2nc(CSc3nnc4sc5ccccc5n34)[n-]c(=O)c21 ZINC000009640653 569555394 /nfs/dbraw/zinc/55/53/94/569555394.db2.gz FANIVWNTNAKCHA-UHFFFAOYSA-N -1 3 441.494 3.551 50 0 IHAAHM C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010292879 569580547 /nfs/dbraw/zinc/58/05/47/569580547.db2.gz TUUOARPHCFZPMZ-AWEZNQCLSA-N -1 3 447.329 3.799 50 0 IHAAHM Cc1ccc(-n2ncc3c2nc(SCC(=O)N2CCCc4ccccc42)[n-]c3=O)cc1C ZINC000002718058 132256458 /nfs/dbraw/zinc/25/64/58/132256458.db2.gz SBQAOWLSIXPIFA-UHFFFAOYSA-N -1 3 445.548 3.797 50 0 IHAAHM c1ccc(NN=c2nn[n-]c3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 ZINC000013756428 132354389 /nfs/dbraw/zinc/35/43/89/132354389.db2.gz NSNYACPNCZWHDY-UHFFFAOYSA-N -1 3 433.541 3.789 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCOc2ccccc2C)S1 ZINC000020896270 519643124 /nfs/dbraw/zinc/64/31/24/519643124.db2.gz AGWMFBONTROOSC-OAQYLSRUSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3ccc(C)c(C)c3)c2)S1 ZINC000020896462 519643451 /nfs/dbraw/zinc/64/34/51/519643451.db2.gz AUPFRDUXQIQWND-OAQYLSRUSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCCOc3cccc(C)c3)c2)S1 ZINC000020896544 519643528 /nfs/dbraw/zinc/64/35/28/519643528.db2.gz SSPHGQMFBZCBPQ-NRFANRHFSA-N -1 3 427.526 3.844 50 0 IHAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(=O)CC)c(C)c1 ZINC000012180389 521217110 /nfs/dbraw/zinc/21/71/10/521217110.db2.gz AOQNCSHCLFKXBY-UHFFFAOYSA-N -1 3 429.542 3.834 50 0 IHAAHM CCOc1cccc2cc(C(=O)[N-]c3nnc(-c4cccc(S(C)(=O)=O)c4)o3)oc21 ZINC000022906491 521433972 /nfs/dbraw/zinc/43/39/72/521433972.db2.gz BNJHIVBEEHYKGN-UHFFFAOYSA-N -1 3 427.438 3.537 50 0 IHAAHM COc1ccccc1N1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Br)ccc32)CC1 ZINC000012324165 524560015 /nfs/dbraw/zinc/56/00/15/524560015.db2.gz DQRBNRZPINYZHN-HXUWFJFHSA-N -1 3 444.329 3.887 50 0 IHAAHM C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548487 525069213 /nfs/dbraw/zinc/06/92/13/525069213.db2.gz JNMIOQXTGQOHPW-SPLOXXLWSA-N -1 3 442.468 3.794 50 0 IHAAHM Cc1c(C)n(CCN2CCOCC2)c2ncn3nc(-c4cc5ccccc5cc4[O-])nc3c12 ZINC000020572944 525683075 /nfs/dbraw/zinc/68/30/75/525683075.db2.gz AUXQODYSYCLFJK-UHFFFAOYSA-N -1 3 442.523 3.554 50 0 IHAAHM O=S(=O)([N-]Cc1ccc(Br)cc1)c1cc(-c2noc(C3CC3)n2)cs1 ZINC000021702350 527229405 /nfs/dbraw/zinc/22/94/05/527229405.db2.gz FRXWHOHOELZMRA-UHFFFAOYSA-N -1 3 440.344 3.917 50 0 IHAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1[O-] ZINC000000662954 555527434 /nfs/dbraw/zinc/52/74/34/555527434.db2.gz SFSMDZACYQONEQ-INIZCTEOSA-N -1 3 441.322 3.723 50 0 IHAAHM CCOC(=O)c1c([N-]C(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CCCC2 ZINC000000815240 555561437 /nfs/dbraw/zinc/56/14/37/555561437.db2.gz AAPXCDKTXKTBQD-UHFFFAOYSA-N -1 3 435.456 3.740 50 0 IHAAHM O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([O-])cc1)C2=O)c1ccc(Cl)cc1 ZINC000000991344 555596487 /nfs/dbraw/zinc/59/64/87/555596487.db2.gz RUYGEUFLTYDMTK-UHFFFAOYSA-N -1 3 435.819 3.886 50 0 IHAAHM O=C([N-]c1nnc(-c2cccs2)o1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000002723564 556128843 /nfs/dbraw/zinc/12/88/43/556128843.db2.gz ZNRXLFHDIJWSCE-UHFFFAOYSA-N -1 3 432.527 3.615 50 0 IHAAHM CCCc1cc2c(nc(C)n([N-]C(=O)[C@H](C)n3nc(C(F)(F)F)cc3C)c2=O)s1 ZINC000002778691 556141009 /nfs/dbraw/zinc/14/10/09/556141009.db2.gz DSALFEAFRGHLOQ-JTQLQIEISA-N -1 3 427.452 3.574 50 0 IHAAHM CC[C@H](c1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1)n1cc(Br)cn1 ZINC000002808652 556146625 /nfs/dbraw/zinc/14/66/25/556146625.db2.gz LOELGCCHZRUXNJ-MRXNPFEDSA-N -1 3 444.362 3.759 50 0 IHAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000013768460 556304288 /nfs/dbraw/zinc/30/42/88/556304288.db2.gz IRDDNVUFRRBXFA-FUHWJXTLSA-N -1 3 446.290 3.599 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032768565 556333581 /nfs/dbraw/zinc/33/35/81/556333581.db2.gz ZVPBXZWXPOKJTB-GDBMZVCRSA-N -1 3 427.526 3.503 50 0 IHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3c(Cl)cccc3Cl)n2)N1 ZINC000013960041 556346986 /nfs/dbraw/zinc/34/69/86/556346986.db2.gz BQRVWFQTSYBUHJ-OAHLLOKOSA-N -1 3 437.205 3.699 50 0 IHAAHM O=C(c1ccc(COc2ccccc2Br)o1)N1NC=C[C@]1([O-])C(F)(F)F ZINC000013960174 556347278 /nfs/dbraw/zinc/34/72/78/556347278.db2.gz TYEAHHVJGUWRGH-HNNXBMFYSA-N -1 3 433.180 3.704 50 0 IHAAHM O=C(c1ccc2[nH]c3c(c2c1)CCCC3)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000014201539 556391978 /nfs/dbraw/zinc/39/19/78/556391978.db2.gz ZQGQFYFICLKWPI-UHFFFAOYSA-N -1 3 443.594 3.691 50 0 IHAAHM O=S(=O)([N-][C@@H](CN1CCOCC1)c1ccccc1)c1cc(C(F)(F)F)ccc1Cl ZINC000013000918 556433175 /nfs/dbraw/zinc/43/31/75/556433175.db2.gz NGELAZUIPQADGI-KRWDZBQOSA-N -1 3 448.894 3.711 50 0 IHAAHM COC(=O)c1cc(Br)ccc1S(=O)(=O)[N-]CCc1ccc(C(C)C)cc1 ZINC000013137555 556484411 /nfs/dbraw/zinc/48/44/11/556484411.db2.gz SDTUCTZPYVUAFA-UHFFFAOYSA-N -1 3 440.359 3.880 50 0 IHAAHM CCOC(=O)c1sc2[n-]c([C@@H](C)N(C)Cc3ccc(OC)cc3OC)nc(=O)c2c1C ZINC000013140805 556486017 /nfs/dbraw/zinc/48/60/17/556486017.db2.gz KFRLOQYSWWKSPD-CYBMUJFWSA-N -1 3 445.541 3.680 50 0 IHAAHM COc1cc2c(cc1NC(=O)CCn1[n-]c(=O)c3ccccc3c1=O)oc1ccccc12 ZINC000015601656 556537132 /nfs/dbraw/zinc/53/71/32/556537132.db2.gz GLPBJSUWSLVQSM-UHFFFAOYSA-N -1 3 429.432 3.627 50 0 IHAAHM CCOC(=O)C[C@@H](c1ccc(-c2nc3ccccc3s2)o1)c1oc(CO)cc(=O)c1[O-] ZINC000071282959 556559740 /nfs/dbraw/zinc/55/97/40/556559740.db2.gz CCSIWCZNIMYICF-ZDUSSCGKSA-N -1 3 441.461 3.793 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000032975609 556600099 /nfs/dbraw/zinc/60/00/99/556600099.db2.gz MTKBZGVPGWHGED-IAGOWNOFSA-N -1 3 448.491 3.749 50 0 IHAAHM COc1cc(NC(=O)CSc2n[n-]c(COc3ccc(Cl)cc3)n2)cc(OC)c1 ZINC000002644163 556801930 /nfs/dbraw/zinc/80/19/30/556801930.db2.gz UCBLLJZFKPPDMG-UHFFFAOYSA-N -1 3 434.905 3.785 50 0 IHAAHM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NC3CCN(C)CC3)ccc2Cl)c1C ZINC000065363091 556834789 /nfs/dbraw/zinc/83/47/89/556834789.db2.gz AOYNDGSGPNJRBN-UHFFFAOYSA-N -1 3 435.977 3.582 50 0 IHAAHM Cc1c(Cl)cccc1NC(=O)CSc1nc2c(nc[n-]c2=O)n1-c1ccccc1 ZINC000020295661 557006375 /nfs/dbraw/zinc/00/63/75/557006375.db2.gz NPYDCBSFJPVZAO-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 IHAAHM Cc1c([O-])ccc2c(COC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc(=O)oc12 ZINC000010788061 557026864 /nfs/dbraw/zinc/02/68/64/557026864.db2.gz MASOGUSXXMBLIG-IBGZPJMESA-N -1 3 449.459 3.561 50 0 IHAAHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074607 557030732 /nfs/dbraw/zinc/03/07/32/557030732.db2.gz GUXCSHNMAREYKZ-KRWDZBQOSA-N -1 3 434.521 3.744 50 0 IHAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(C)c2)CC(=O)N3)cc1 ZINC000046074914 557031481 /nfs/dbraw/zinc/03/14/81/557031481.db2.gz KFSKREGGPJWPSA-QGZVFWFLSA-N -1 3 434.521 3.744 50 0 IHAAHM COc1cccc(C(=O)N2CCC(c3nnc(C(=O)[N-]c4ccccc4F)s3)CC2)c1 ZINC000033272939 557052973 /nfs/dbraw/zinc/05/29/73/557052973.db2.gz CDDBHBZZAWIOHA-UHFFFAOYSA-N -1 3 440.500 3.958 50 0 IHAAHM CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)Cc3cccc(Cl)c3)cc2s1 ZINC000033298933 557074918 /nfs/dbraw/zinc/07/49/18/557074918.db2.gz DADQYJSHDSITDG-UHFFFAOYSA-N -1 3 430.960 3.685 50 0 IHAAHM CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000024797383 557143690 /nfs/dbraw/zinc/14/36/90/557143690.db2.gz NPQVCYXFQUVZBU-UHFFFAOYSA-N -1 3 444.413 3.937 50 0 IHAAHM O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000024500285 557148729 /nfs/dbraw/zinc/14/87/29/557148729.db2.gz KYCNPKSPAIJYGW-MRXNPFEDSA-N -1 3 445.928 3.598 50 0 IHAAHM C[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2ccccc2N2CCCCC2)ccc1Cl ZINC000024988039 557186766 /nfs/dbraw/zinc/18/67/66/557186766.db2.gz MFRFDMFAVDEWBV-UHFFFAOYSA-N -1 3 435.977 3.511 50 0 IHAAHM Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000025527794 557213018 /nfs/dbraw/zinc/21/30/18/557213018.db2.gz OQCVHDDPWCVNFL-UHFFFAOYSA-N -1 3 436.528 3.519 50 0 IHAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1nc2ccccc2o1 ZINC000013987383 557242286 /nfs/dbraw/zinc/24/22/86/557242286.db2.gz MDVODDNJUHFJKG-SNVBAGLBSA-N -1 3 429.281 3.545 50 0 IHAAHM COc1cc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc(Br)c1[O-] ZINC000000819288 557261568 /nfs/dbraw/zinc/26/15/68/557261568.db2.gz JKFBCCMKVJJOAW-CQSZACIVSA-N -1 3 425.367 3.634 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(OC)c(OCc3cn4ccccc4n3)c2)cc1 ZINC000040152650 557704551 /nfs/dbraw/zinc/70/45/51/557704551.db2.gz GKTYGHQUZXIDNS-UHFFFAOYSA-N -1 3 439.493 3.731 50 0 IHAAHM Cc1cc(C(=O)NCc2ccc([C@]3(C)NC(=O)[N-]C3=O)cc2)c(C)n1[C@@H](C)c1ccccc1 ZINC000225532880 557737805 /nfs/dbraw/zinc/73/78/05/557737805.db2.gz NYNRGYDSDATADP-QLXKLKPCSA-N -1 3 444.535 3.699 50 0 IHAAHM Cn1c2ccc(C[N-]S(=O)(=O)c3cc(Br)ccc3F)cc2nc1C1CC1 ZINC000225830858 557782377 /nfs/dbraw/zinc/78/23/77/557782377.db2.gz FOIUMFPSTFEASI-UHFFFAOYSA-N -1 3 438.322 3.831 50 0 IHAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2cccnc2)cc1 ZINC000229981595 557834685 /nfs/dbraw/zinc/83/46/85/557834685.db2.gz CGDNNSCPXPIDBQ-YTFSRNRJSA-N -1 3 429.476 3.922 50 0 IHAAHM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)[N-]c3nnc(-c4cccs4)o3)cc2)C1 ZINC000013147373 562985330 /nfs/dbraw/zinc/98/53/30/562985330.db2.gz RSVYERVUTYOQAF-OKILXGFUSA-N -1 3 446.554 3.717 50 0 IHAAHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NCC(F)(F)F)cc2)cc1 ZINC000044038285 568746253 /nfs/dbraw/zinc/74/62/53/568746253.db2.gz IWIUDPPRSUHHKP-UHFFFAOYSA-N -1 3 444.475 3.743 50 0 IHAAHM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032103500 568780847 /nfs/dbraw/zinc/78/08/47/568780847.db2.gz MUFIVIGLRQFUID-QFIPXVFZSA-N -1 3 427.932 3.952 50 0 IHAAHM O=C(c1ccc2c3c(cccc31)CC2)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000025906349 568791052 /nfs/dbraw/zinc/79/10/52/568791052.db2.gz DOQFLFIHUILKJD-UHFFFAOYSA-N -1 3 426.563 3.583 50 0 IHAAHM COc1cc2c(cc1OC)[C@H](NC(=O)CCc1c(C)c3ccc([O-])c(C)c3oc1=O)CC2 ZINC000583652770 568837687 /nfs/dbraw/zinc/83/76/87/568837687.db2.gz BPKFUWCAKOLYEJ-LJQANCHMSA-N -1 3 437.492 3.869 50 0 biogenic IHAAHM Cc1nn(CC[N-]S(=O)(=O)c2ccc(Br)s2)c(C)c1-c1ccco1 ZINC000575616188 568881482 /nfs/dbraw/zinc/88/14/82/568881482.db2.gz XRXGAWDBXLMGGT-UHFFFAOYSA-N -1 3 430.349 3.562 50 0 IHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cc2ccccc2o1 ZINC000575619296 568882944 /nfs/dbraw/zinc/88/29/44/568882944.db2.gz CWGFRBYPGFSQKZ-LBPRGKRZSA-N -1 3 429.361 3.838 50 0 IHAAHM CCCN(Cc1nc(=O)c2c(-c3cccc(Cl)c3)csc2[n-]1)C[C@@H](O)COCC ZINC000036206428 568972755 /nfs/dbraw/zinc/97/27/55/568972755.db2.gz NXRXUWAPAVTOSW-MRXNPFEDSA-N -1 3 435.977 3.914 50 0 IHAAHM O=C([N-]c1ccccc1F)c1nnc([C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000064941755 568991277 /nfs/dbraw/zinc/99/12/77/568991277.db2.gz JXNFKDCFLVCMMU-KRWDZBQOSA-N -1 3 446.529 3.596 50 0 IHAAHM O=S(=O)([N-]CCCN1CCO[C@H](c2ccccc2)C1)c1cc(Cl)ccc1Cl ZINC000036700235 569135201 /nfs/dbraw/zinc/13/52/01/569135201.db2.gz UXJQMZBWHJKVER-SFHVURJKSA-N -1 3 429.369 3.735 50 0 IHAAHM O=C(Nc1ccccc1)N1CCC([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)CC1 ZINC000014207782 569158061 /nfs/dbraw/zinc/15/80/61/569158061.db2.gz DVGRLIQBGYMBHW-UHFFFAOYSA-N -1 3 428.341 3.968 50 0 IHAAHM O=C(Nc1ccccc1)N1CCC([N-]S(=O)(=O)c2c(Cl)cccc2Cl)CC1 ZINC000014207771 569158067 /nfs/dbraw/zinc/15/80/67/569158067.db2.gz FFQQQKQTZQZCCV-UHFFFAOYSA-N -1 3 428.341 3.968 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N(C)C)n3)cc2)cc1C ZINC000017011337 569170347 /nfs/dbraw/zinc/17/03/47/569170347.db2.gz ZGZAGCLKFRVWSM-UHFFFAOYSA-N -1 3 427.530 3.712 50 0 IHAAHM COC(=O)[C@@]([N-]c1ccc(OC(F)(F)Cl)cc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000002192044 569190564 /nfs/dbraw/zinc/19/05/64/569190564.db2.gz ZUAIOGAODNMFMT-CQSZACIVSA-N -1 3 442.724 3.721 50 0 IHAAHM O=C(c1cccs1)N1CCc2ccc([N-]S(=O)(=O)CCOc3ccccc3)cc2C1 ZINC000096025703 569380839 /nfs/dbraw/zinc/38/08/39/569380839.db2.gz WECHIYSKUGMGCH-UHFFFAOYSA-N -1 3 442.562 3.767 50 0 IHAAHM Cc1cc2c(nc(C)n([N-]C(=O)[C@H](C)n3nc(C(F)(F)F)c(Cl)c3C)c2=O)s1 ZINC000002778063 569420950 /nfs/dbraw/zinc/42/09/50/569420950.db2.gz FXVZKJGOBPLLRL-QMMMGPOBSA-N -1 3 433.843 3.583 50 0 IHAAHM Cc1ccccc1-c1noc(CN2CCN(Cn3nc(-c4ccccc4)[n-]c3=S)CC2)n1 ZINC000031784110 569457423 /nfs/dbraw/zinc/45/74/23/569457423.db2.gz HXKAYDORIJKOTF-UHFFFAOYSA-N -1 3 447.568 3.741 50 0 IHAAHM COc1cccc2c([C@H](C(=O)[O-])N3CCN(c4cc(C)c5ccccc5n4)CC3)c[nH]c21 ZINC000031807324 569457487 /nfs/dbraw/zinc/45/74/87/569457487.db2.gz RMQJAUMEEWGWDS-XMMPIXPASA-N -1 3 430.508 3.981 50 0 IHAAHM O=C(CN1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000040135412 569490726 /nfs/dbraw/zinc/49/07/26/569490726.db2.gz LGGCOXGSOIEFIX-UHFFFAOYSA-N -1 3 445.991 3.781 50 0 IHAAHM CCN1c2cc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)ccc2OCC(C)(C)C1=O ZINC000009170762 569509331 /nfs/dbraw/zinc/50/93/31/569509331.db2.gz CZVWGGNWGFCBDP-UHFFFAOYSA-N -1 3 432.542 3.884 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NCc3ccccn3)c(C)c2)cc1C ZINC000009356519 569525561 /nfs/dbraw/zinc/52/55/61/569525561.db2.gz AQSUWSMJVHZSRB-UHFFFAOYSA-N -1 3 439.537 3.503 50 0 IHAAHM COc1ccc(Cl)cc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000009389412 569528558 /nfs/dbraw/zinc/52/85/58/569528558.db2.gz AXATXYWPHHQNLS-UHFFFAOYSA-N -1 3 441.900 3.502 50 0 IHAAHM COc1cccc(NC(=O)CSc2nc3c(cnn3-c3cccc(C)c3C)c(=O)[n-]2)c1 ZINC000009521568 569544400 /nfs/dbraw/zinc/54/44/00/569544400.db2.gz GAMNOUDLWVGCPB-UHFFFAOYSA-N -1 3 435.509 3.877 50 0 IHAAHM O=C(NCCc1ccc(Cl)cc1)C1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000009559442 569546963 /nfs/dbraw/zinc/54/69/63/569546963.db2.gz SKRRTJHNYJNWKT-UHFFFAOYSA-N -1 3 441.018 3.845 50 0 IHAAHM CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2nc3c4ccccc4oc3c(=O)[n-]2)C1=O ZINC000009640321 569555401 /nfs/dbraw/zinc/55/54/01/569555401.db2.gz BMCXIJOMUUMNQI-JOCHJYFZSA-N -1 3 436.855 3.680 50 0 IHAAHM CSc1cccc(NC(=O)CSc2nc(-c3ccccc3C)nc3cc(=O)[n-]n32)c1 ZINC000009641579 569555737 /nfs/dbraw/zinc/55/57/37/569555737.db2.gz RVWVUZHCUFOOID-UHFFFAOYSA-N -1 3 437.550 3.846 50 0 IHAAHM O=C(c1ccc(I)cc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000009730684 569564474 /nfs/dbraw/zinc/56/44/74/569564474.db2.gz WCTRGUYOHRBUIC-SMDDNHRTSA-N -1 3 438.187 3.544 50 0 IHAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(Cl)cc1)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000071279567 569573534 /nfs/dbraw/zinc/57/35/34/569573534.db2.gz DXFXUJLNSHCZDV-PDGUBNMISA-N -1 3 441.959 3.700 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2cc(-n3c(C)nc4ccccc4c3=O)ccc2F)cc1 ZINC000010186577 569578429 /nfs/dbraw/zinc/57/84/29/569578429.db2.gz OQXRNYJPSZDMBW-UHFFFAOYSA-N -1 3 439.468 3.643 50 0 IHAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cn(C)c2ccccc12 ZINC000077171697 569585769 /nfs/dbraw/zinc/58/57/69/569585769.db2.gz KOHXHKGAOLNALP-OAHLLOKOSA-N -1 3 442.404 3.584 50 0 IHAAHM COc1ccc(Cc2nc3c(c(=O)[n-]2)CN(C(=O)Nc2ccc(SC)cc2)CC3)cc1 ZINC000016531334 569586761 /nfs/dbraw/zinc/58/67/61/569586761.db2.gz VQLPHVUVHOHYJC-UHFFFAOYSA-N -1 3 436.537 3.681 50 0 IHAAHM Cc1ccc(OCc2nc(SCC(=O)N3c4ccccc4NC(=O)C3(C)C)n[n-]2)cc1 ZINC000003450505 132265769 /nfs/dbraw/zinc/26/57/69/132265769.db2.gz GXGQZGIJDUPTOH-UHFFFAOYSA-N -1 3 437.525 3.548 50 0 IHAAHM CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2)cc(Br)c1[O-] ZINC000012464188 520777085 /nfs/dbraw/zinc/77/70/85/520777085.db2.gz FFBMJIMMXPIMNS-KRWDZBQOSA-N -1 3 446.301 3.820 50 0 IHAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000020895783 520779768 /nfs/dbraw/zinc/77/97/68/520779768.db2.gz XBBYARMVPPTYLZ-FQEVSTJZSA-N -1 3 441.509 3.614 50 0 IHAAHM CCOc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1cccc(C)c1 ZINC000020895780 520785106 /nfs/dbraw/zinc/78/51/06/520785106.db2.gz FKNPOAYXXIKCIE-HXUWFJFHSA-N -1 3 441.509 3.614 50 0 IHAAHM COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1[O-] ZINC000012446777 522009672 /nfs/dbraw/zinc/00/96/72/522009672.db2.gz LOCNOJNUJYHWFV-LZYBPNLTSA-N -1 3 431.311 3.550 50 0 IHAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccc(C(F)(F)F)cn4)CC3)c2c1 ZINC000020737396 525494615 /nfs/dbraw/zinc/49/46/15/525494615.db2.gz PEABIIVPQAZMGJ-IBGZPJMESA-N -1 3 434.418 3.538 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 ZINC000012180414 525610657 /nfs/dbraw/zinc/61/06/57/525610657.db2.gz CSDWJQZAFGWJFY-UHFFFAOYSA-N -1 3 442.562 3.937 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](C)Oc1cccc(CN(C)Cc2ccsc2)c1 ZINC000012456462 526555129 /nfs/dbraw/zinc/55/51/29/526555129.db2.gz UTEXDPBWSYUYLB-OAHLLOKOSA-N -1 3 449.598 3.731 50 0 IHAAHM 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CCOC(=O)[N-]C(=O)CSc1nnc(CSc2nc3ccccc3s2)n1CC ZINC000002634887 569412828 /nfs/dbraw/zinc/41/28/28/569412828.db2.gz OAGNCYHQFHHYTB-UHFFFAOYSA-N -1 3 437.572 3.565 50 0 IHAAHM COc1ccccc1CNC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000002938594 569426532 /nfs/dbraw/zinc/42/65/32/569426532.db2.gz MHYXWGLYQIULGB-GOSISDBHSA-N -1 3 448.928 3.668 50 0 IHAAHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NCc1ccc2c(c1)OCO2 ZINC000003357384 569447717 /nfs/dbraw/zinc/44/77/17/569447717.db2.gz SPTXSBRNLOHYBL-NSHDSACASA-N -1 3 432.502 3.947 50 0 IHAAHM Cc1c([O-])ccc2c(C)c(CC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)c(=O)oc12 ZINC000032095040 569459827 /nfs/dbraw/zinc/45/98/27/569459827.db2.gz CRORJMLURDSJGY-UHFFFAOYSA-N -1 3 441.911 3.822 50 0 IHAAHM Cc1ccccc1OCc1nc(SCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)n[n-]1 ZINC000008850241 569479290 /nfs/dbraw/zinc/47/92/90/569479290.db2.gz QJVIVNFUZIOKQN-OAHLLOKOSA-N -1 3 437.525 3.548 50 0 IHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4ccc(OC(F)(F)F)cc4)s3)nc2n1 ZINC000040050557 569484198 /nfs/dbraw/zinc/48/41/98/569484198.db2.gz UQSMPRLFUXVZRK-UHFFFAOYSA-N -1 3 448.430 3.939 50 0 IHAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1ccc(OC(F)F)cc1 ZINC000009051169 569498762 /nfs/dbraw/zinc/49/87/62/569498762.db2.gz QJLVSFZPDHIJSS-UHFFFAOYSA-N -1 3 443.435 3.853 50 0 IHAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1Cl ZINC000009130046 569505943 /nfs/dbraw/zinc/50/59/43/569505943.db2.gz RDCSGMGRKSGSSN-OAHLLOKOSA-N -1 3 425.872 3.793 50 0 IHAAHM C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2cc(Br)ccc2[O-])n1C ZINC000009226042 569513248 /nfs/dbraw/zinc/51/32/48/569513248.db2.gz MNOMTZNJRFIDJS-FZMZJTMJSA-N -1 3 439.379 3.737 50 0 IHAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2ccccc2F)[C@@H](c2ccco2)C1 ZINC000009260397 569516953 /nfs/dbraw/zinc/51/69/53/569516953.db2.gz DVRBVEQFVSRHQR-LJQANCHMSA-N -1 3 427.457 3.782 50 0 IHAAHM Cc1cc(NC(=O)CSc2n[n-]c(COc3ccc(C)cc3)n2)n(-c2ccccc2)n1 ZINC000009442912 569535645 /nfs/dbraw/zinc/53/56/45/569535645.db2.gz JQNFZBJRDRZJOO-UHFFFAOYSA-N -1 3 434.525 3.917 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)COc3cccc(F)c3)ccc2C)cc1 ZINC000009444360 569535824 /nfs/dbraw/zinc/53/58/24/569535824.db2.gz ADWLVYGPYPLWJH-UHFFFAOYSA-N -1 3 444.484 3.961 50 0 IHAAHM CC(=O)c1sc2[n-]c(CSc3nnc(Cc4csc(C)n4)o3)nc(=O)c2c1C ZINC000009498347 569541363 /nfs/dbraw/zinc/54/13/63/569541363.db2.gz QKHFFSKYKNRRJV-UHFFFAOYSA-N -1 3 433.540 3.527 50 0 IHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 ZINC000009672321 569558820 /nfs/dbraw/zinc/55/88/20/569558820.db2.gz KGMKPVQRHYJGST-UHFFFAOYSA-N -1 3 434.568 3.688 50 0 IHAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cn(C)c2ccccc12 ZINC000077171698 569585820 /nfs/dbraw/zinc/58/58/20/569585820.db2.gz KOHXHKGAOLNALP-HNNXBMFYSA-N -1 3 442.404 3.584 50 0 IHAAHM COc1ccccc1N1CCN(Cc2nc(=O)c3c(-c4ccccc4)csc3[n-]2)CC1 ZINC000002626201 132255549 /nfs/dbraw/zinc/25/55/49/132255549.db2.gz IIIZDWDOISEPCG-UHFFFAOYSA-N -1 3 432.549 3.982 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cccc(OCCOc3cc(C)cc(C)c3)c2)S1 ZINC000020896517 519643346 /nfs/dbraw/zinc/64/33/46/519643346.db2.gz QDWMQSIKTBQFJF-OAQYLSRUSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCOc3c(C)cccc3C)c2)S1 ZINC000020896509 519643408 /nfs/dbraw/zinc/64/34/08/519643408.db2.gz FZCYQHMJORHBST-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CCCn1c(=O)[n-]nc1SCc1nc(=O)c2c([nH]1)sc(C)c2-c1ccc(C)cc1 ZINC000021244487 521614682 /nfs/dbraw/zinc/61/46/82/521614682.db2.gz KUCDPRSESXABLD-UHFFFAOYSA-N -1 3 427.555 3.856 50 0 IHAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)CCS3)c(OC)c1 ZINC000015728447 522531751 /nfs/dbraw/zinc/53/17/51/522531751.db2.gz REDWZANYUKXGCC-UHFFFAOYSA-N -1 3 428.919 3.592 50 0 IHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](c1ccco1)N1CCc2ccccc2C1 ZINC000022907242 524326211 /nfs/dbraw/zinc/32/62/11/524326211.db2.gz OAEILHDWAOMALA-LJQANCHMSA-N -1 3 430.501 3.505 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NC[C@H](c3ccco3)N(C)C)c2)cc1F ZINC000012630385 525612037 /nfs/dbraw/zinc/61/20/37/525612037.db2.gz UBBLZYMVLDDEGJ-HXUWFJFHSA-N -1 3 445.516 3.561 50 0 IHAAHM O=S(=O)([N-]CCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccccc1F ZINC000017177840 527220550 /nfs/dbraw/zinc/22/05/50/527220550.db2.gz XCMZOOHKNYRWGK-UHFFFAOYSA-N -1 3 436.921 3.771 50 0 IHAAHM O=S(=O)([N-]c1cc(Cl)ccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000012905232 527245161 /nfs/dbraw/zinc/24/51/61/527245161.db2.gz RYPXRUUDBLKNEQ-UHFFFAOYSA-N -1 3 435.354 3.579 50 0 IHAAHM CCn1c(SCC(=O)Nc2ccc(Cl)c(C(=O)OC)c2)nnc1-c1ccccc1[O-] ZINC000001060387 555616063 /nfs/dbraw/zinc/61/60/63/555616063.db2.gz YEYNMWTVSZEEOB-UHFFFAOYSA-N -1 3 446.916 3.841 50 0 IHAAHM CC(C)(C)C1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(I)cc2)N1 ZINC000001123711 555639358 /nfs/dbraw/zinc/63/93/58/555639358.db2.gz OZEJMFCAJGCDMR-AWEZNQCLSA-N -1 3 440.203 3.790 50 0 IHAAHM CCC(=O)Oc1cccc(C(=O)Nc2ccc(Oc3ccc4c(c3)C(=O)[N-]C4=O)cc2)c1 ZINC000001146916 555654102 /nfs/dbraw/zinc/65/41/02/555654102.db2.gz UDTLEECBIPEODS-UHFFFAOYSA-N -1 3 430.416 3.930 50 0 IHAAHM CS(=O)(=O)N1CCc2cc([N-]S(=O)(=O)c3ccc(C4CCCCC4)cc3)ccc21 ZINC000001425972 555695883 /nfs/dbraw/zinc/69/58/83/555695883.db2.gz VUGCWPLSJRIVEC-UHFFFAOYSA-N -1 3 434.583 3.857 50 0 IHAAHM COc1cc([C@@H]2NC(=O)N(C)C(C)=C2C(=O)OCCOc2ccccc2)cc(Cl)c1[O-] ZINC000002057833 555731160 /nfs/dbraw/zinc/73/11/60/555731160.db2.gz ZXCTXNAJJZYGNM-IBGZPJMESA-N -1 3 446.887 3.647 50 0 biogenic,in-vitro IHAAHM Cc1nn2c(COc3ccc([N-]S(=O)(=O)c4ccccc4)cc3)nnc2c2ccccc12 ZINC000002326245 555768976 /nfs/dbraw/zinc/76/89/76/555768976.db2.gz IMKOZHXMRZKZHC-UHFFFAOYSA-N -1 3 445.504 3.966 50 0 IHAAHM COC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c2)s1 ZINC000032808679 556369130 /nfs/dbraw/zinc/36/91/30/556369130.db2.gz BQIGPIJDARHVLD-UHFFFAOYSA-N -1 3 430.935 3.517 50 0 IHAAHM CCOc1ncccc1C(=O)[N-]c1nnc(SCC(=O)Nc2ccc(C)cc2C)s1 ZINC000014117083 556371237 /nfs/dbraw/zinc/37/12/37/556371237.db2.gz AMUDVQZIRXXLNG-UHFFFAOYSA-N -1 3 443.554 3.932 50 0 IHAAHM C[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1nc(=O)c2c(-c3cccs3)csc2[n-]1 ZINC000014242615 556403189 /nfs/dbraw/zinc/40/31/89/556403189.db2.gz FRRKEFRMFQMBOO-QWRGUYRKSA-N -1 3 446.583 3.732 50 0 IHAAHM O=C(Nc1ccccc1OC(F)(F)F)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000027824868 556433660 /nfs/dbraw/zinc/43/36/60/556433660.db2.gz QSCJMTRIVPBOTO-UHFFFAOYSA-N -1 3 434.823 3.932 50 0 IHAAHM Cc1nc([N-]C(=O)c2cc(-c3cnn(C)c3C)no2)sc1-n1ccc(C(F)(F)F)n1 ZINC000013641833 556542608 /nfs/dbraw/zinc/54/26/08/556542608.db2.gz OPIYJFLOQYZYMA-UHFFFAOYSA-N -1 3 437.407 3.605 50 0 IHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@@H]4CCCO4)CC3)cc2)cc1 ZINC000033115325 556554867 /nfs/dbraw/zinc/55/48/67/556554867.db2.gz CKLOACJVXXGHNV-NRFANRHFSA-N -1 3 442.581 3.767 50 0 IHAAHM CCOC(=O)C[C@H](c1ccc(-c2nc3ccccc3s2)o1)c1oc(CO)cc(=O)c1[O-] ZINC000071282960 556559688 /nfs/dbraw/zinc/55/96/88/556559688.db2.gz CCSIWCZNIMYICF-CYBMUJFWSA-N -1 3 441.461 3.793 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000032975628 556600133 /nfs/dbraw/zinc/60/01/33/556600133.db2.gz DECGURWDURJORX-IAGOWNOFSA-N -1 3 430.501 3.610 50 0 IHAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccc(Br)s2)cc1 ZINC000011708056 556629862 /nfs/dbraw/zinc/62/98/62/556629862.db2.gz ZMEBDTIOYIYYBL-UHFFFAOYSA-N -1 3 449.417 3.545 50 0 IHAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(Cl)cc3s2)n1 ZINC000016753753 556638540 /nfs/dbraw/zinc/63/85/40/556638540.db2.gz FPFIFLPNXXAXFL-UHFFFAOYSA-N -1 3 431.326 3.829 50 0 IHAAHM Cc1nnc([C@@H]([N-]S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1C ZINC000058292714 556778025 /nfs/dbraw/zinc/77/80/25/556778025.db2.gz HFOJLRKBKWEMHS-INIZCTEOSA-N -1 3 444.866 3.864 50 0 IHAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)Cc4ccc(C)cc4)ccc3n2)CC1 ZINC000033260891 556897645 /nfs/dbraw/zinc/89/76/45/556897645.db2.gz GZXKSNXZEYSMTQ-UHFFFAOYSA-N -1 3 446.551 3.955 50 0 IHAAHM COc1cccc([C@@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)c2ccco2)c1 ZINC000097105765 556987795 /nfs/dbraw/zinc/98/77/95/556987795.db2.gz BLORHAQFZSMJAX-FQEVSTJZSA-N -1 3 439.493 3.651 50 0 IHAAHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3cccc(C)c3)[n-]c(=O)c21 ZINC000046074823 557031023 /nfs/dbraw/zinc/03/10/23/557031023.db2.gz OFBZTHXLJMSUPX-QGZVFWFLSA-N -1 3 448.548 3.998 50 0 IHAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2cccc(F)c2)CC(=O)N3)c1 ZINC000046074815 557031147 /nfs/dbraw/zinc/03/11/47/557031147.db2.gz FUMLGKIUYDQBDE-MRXNPFEDSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000046074917 557031472 /nfs/dbraw/zinc/03/14/72/557031472.db2.gz JGLLTYHFHWCYOK-KRWDZBQOSA-N -1 3 434.521 3.744 50 0 IHAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3cccc(Cl)c3)[n-]c(=O)c21 ZINC000046075077 557031524 /nfs/dbraw/zinc/03/15/24/557031524.db2.gz ZMBMLVDQXYMZST-OAHLLOKOSA-N -1 3 440.912 3.780 50 0 IHAAHM CC(C)N(C(=O)[C@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C ZINC000023277678 557081798 /nfs/dbraw/zinc/08/17/98/557081798.db2.gz DMHLXOOJOUICLK-AWEZNQCLSA-N -1 3 446.997 3.608 50 0 IHAAHM COc1ccc(NC(=O)Cc2c(C)noc2C)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000024068783 557134813 /nfs/dbraw/zinc/13/48/13/557134813.db2.gz UWKSCEHKFHFCPG-UHFFFAOYSA-N -1 3 449.916 3.935 50 0 IHAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1 ZINC000024576521 557151773 /nfs/dbraw/zinc/15/17/73/557151773.db2.gz ZCIBRTNFITWCKX-JKSUJKDBSA-N -1 3 427.530 3.792 50 0 IHAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]C1(c2noc(C)n2)CCCCCC1 ZINC000024689316 557158804 /nfs/dbraw/zinc/15/88/04/557158804.db2.gz PJIGFOAKHNSVBN-UHFFFAOYSA-N -1 3 444.351 3.677 50 0 IHAAHM CCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102706604 557366858 /nfs/dbraw/zinc/36/68/58/557366858.db2.gz RIWJAXKQAMZFDW-XPWALMASSA-N -1 3 430.460 3.842 50 0 IHAAHM CCOC(=O)[C@@H]1CCCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(C)cc2)C1 ZINC000102896652 557411219 /nfs/dbraw/zinc/41/12/19/557411219.db2.gz BSKKTIHAIIMXPA-SJLPKXTDSA-N -1 3 428.558 3.732 50 0 IHAAHM 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COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccccc1Cl ZINC000020895762 522968641 /nfs/dbraw/zinc/96/86/41/522968641.db2.gz HUPYVPNJJDFDNN-GOSISDBHSA-N -1 3 447.900 3.569 50 0 IHAAHM COc1ccc(-c2n[n-]c3c2[C@@H](c2ccc(O)c(OC)c2)N(c2cccnc2)C3=O)cc1 ZINC000020733414 523072208 /nfs/dbraw/zinc/07/22/08/523072208.db2.gz ZAUYYLKSQBAHGV-HSZRJFAPSA-N -1 3 428.448 3.944 50 0 IHAAHM COc1ccc(-c2[n-]nc3c2[C@@H](c2ccc(O)c(OC)c2)N(c2cccnc2)C3=O)cc1 ZINC000020733414 523072217 /nfs/dbraw/zinc/07/22/17/523072217.db2.gz ZAUYYLKSQBAHGV-HSZRJFAPSA-N -1 3 428.448 3.944 50 0 IHAAHM Cc1cc(C(F)(F)F)nn1-c1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000012446660 524208403 /nfs/dbraw/zinc/20/84/03/524208403.db2.gz HAPCQFOKPJCSLY-UHFFFAOYSA-N -1 3 439.415 3.772 50 0 IHAAHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccc(Br)cc2)n1 ZINC000020888938 524298690 /nfs/dbraw/zinc/29/86/90/524298690.db2.gz JJPAOIKITQUNTO-NSHDSACASA-N -1 3 438.303 3.547 50 0 IHAAHM Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cccs3)cc2)c([O-])c1 ZINC000012776750 525068415 /nfs/dbraw/zinc/06/84/15/525068415.db2.gz LGOMDAKMJQJWMM-UHFFFAOYSA-N -1 3 432.523 3.605 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(N(C)C)nc(C)n3)cc2)cc1C ZINC000021794779 525082149 /nfs/dbraw/zinc/08/21/49/525082149.db2.gz OXTPNBHWPAPNLO-UHFFFAOYSA-N -1 3 427.530 3.712 50 0 IHAAHM Cc1cc(C(=O)N2CCC[C@H](C[N-]S(=O)(=O)c3cccs3)C2)c2ccc(F)cc2n1 ZINC000012714071 526249711 /nfs/dbraw/zinc/24/97/11/526249711.db2.gz NXOGTBCMENIEPC-OAHLLOKOSA-N -1 3 447.557 3.575 50 0 IHAAHM O=S(=O)([N-]Cc1ccc(CN2CCOCC2)cc1)c1cc(C(F)(F)F)ccc1Cl ZINC000022357665 527229514 /nfs/dbraw/zinc/22/95/14/527229514.db2.gz URWWWPRWGDVVEQ-UHFFFAOYSA-N -1 3 448.894 3.670 50 0 IHAAHM O=c1cc(COc2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)nc2sccn21 ZINC000020859405 527481110 /nfs/dbraw/zinc/48/11/10/527481110.db2.gz BWAQNEMQHAJQCQ-UHFFFAOYSA-N -1 3 447.925 3.789 50 0 IHAAHM CCn1c(SCC(=O)NC2CCCCC2)nnc1-c1cc(Br)ccc1[O-] ZINC000001062270 555616679 /nfs/dbraw/zinc/61/66/79/555616679.db2.gz RUTHXKPXYSSRSO-UHFFFAOYSA-N -1 3 439.379 3.974 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](OC)c3ccccc3)cc2)cc1 ZINC000001135593 555646845 /nfs/dbraw/zinc/64/68/45/555646845.db2.gz FDBASNDUCJANNZ-OAQYLSRUSA-N -1 3 426.494 3.822 50 0 IHAAHM O=C(CNC(=O)C1CCCCC1)Nc1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1 ZINC000001153255 555657546 /nfs/dbraw/zinc/65/75/46/555657546.db2.gz POKVWKRHVSNHLD-UHFFFAOYSA-N -1 3 449.960 3.776 50 0 IHAAHM CCOC(=O)[C@@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000002257381 555763140 /nfs/dbraw/zinc/76/31/40/555763140.db2.gz JISRWZNSSTYGFG-MRXNPFEDSA-N -1 3 435.324 3.764 50 0 IHAAHM CC1(C)COP(=O)([C@H]([N-]S(=O)(=O)c2ccccc2)C(Cl)(Cl)Cl)OC1 ZINC000002810207 555827020 /nfs/dbraw/zinc/82/70/20/555827020.db2.gz QWZTWQSSRYKZTE-NSHDSACASA-N -1 3 436.681 3.927 50 0 IHAAHM CCOC(=O)c1sc([N-]C(=O)c2nc(SC)ncc2Cl)c(C(=O)OCC)c1C ZINC000002890571 555859556 /nfs/dbraw/zinc/85/95/56/555859556.db2.gz MFUFWDNRWZRKHW-UHFFFAOYSA-N -1 3 443.934 3.828 50 0 IHAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)Nc1nc2ccccc2s1 ZINC000002717777 556131263 /nfs/dbraw/zinc/13/12/63/556131263.db2.gz NGJVUXBPHXQKGF-UHFFFAOYSA-N -1 3 434.506 3.862 50 0 IHAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)N[C@H]1CCOc2ccccc21 ZINC000032745258 556315082 /nfs/dbraw/zinc/31/50/82/556315082.db2.gz KRSWSFFNUAGZAW-INIZCTEOSA-N -1 3 430.917 3.769 50 0 IHAAHM O=C(c1ccc(I)cc1)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000013895648 556328954 /nfs/dbraw/zinc/32/89/54/556328954.db2.gz WCTRGUYOHRBUIC-BXUZGUMPSA-N -1 3 438.187 3.544 50 0 IHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2OC)c(Br)c1 ZINC000032770640 556334524 /nfs/dbraw/zinc/33/45/24/556334524.db2.gz LOHVIWIJKWFNMY-GFCCVEGCSA-N -1 3 442.331 3.674 50 0 IHAAHM CC(=O)c1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)cc1 ZINC000013941999 556338983 /nfs/dbraw/zinc/33/89/83/556338983.db2.gz POKLODGOTNWIRC-UHFFFAOYSA-N -1 3 447.314 3.873 50 0 IHAAHM CC(=O)c1ccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)cc1 ZINC000013941999 556338988 /nfs/dbraw/zinc/33/89/88/556338988.db2.gz POKLODGOTNWIRC-UHFFFAOYSA-N -1 3 447.314 3.873 50 0 IHAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)N1 ZINC000013960006 556347048 /nfs/dbraw/zinc/34/70/48/556347048.db2.gz UFFYPQZYWNWMFN-HNNXBMFYSA-N -1 3 437.205 3.699 50 0 IHAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccn(COc3ccc(Cl)cc3Cl)n2)N1 ZINC000013960007 556347101 /nfs/dbraw/zinc/34/71/01/556347101.db2.gz UFFYPQZYWNWMFN-OAHLLOKOSA-N -1 3 437.205 3.699 50 0 IHAAHM Cc1cc(N2CCCC2)ccc1NC(=O)c1ccccc1SC[C@]1(C)NC(=O)[N-]C1=O ZINC000032820588 556412407 /nfs/dbraw/zinc/41/24/07/556412407.db2.gz JGWDIKSFKXHBHK-QHCPKHFHSA-N -1 3 438.553 3.538 50 0 IHAAHM CCc1cc2c(CN(CCOC)Cc3nnc(-c4cccs4)o3)cc(=O)oc2cc1[O-] ZINC000032665046 556417129 /nfs/dbraw/zinc/41/71/29/556417129.db2.gz SJYXSRIGQVZBKF-UHFFFAOYSA-N -1 3 441.509 3.821 50 0 IHAAHM COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000013552988 556515422 /nfs/dbraw/zinc/51/54/22/556515422.db2.gz FBYKKEJUYQCEDB-ZLNRFVROSA-N -1 3 448.450 3.894 50 0 IHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCC4)CC3)cc2)cc1 ZINC000033274583 556558854 /nfs/dbraw/zinc/55/88/54/556558854.db2.gz GFWMPHWXPKREIJ-UHFFFAOYSA-N -1 3 428.554 3.977 50 0 IHAAHM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc(Br)cc1Cl ZINC000016096302 556582476 /nfs/dbraw/zinc/58/24/76/556582476.db2.gz ZITXOCDGRGXTSJ-UHFFFAOYSA-N -1 3 433.711 3.870 50 0 IHAAHM CC(C)NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2cc(Br)ccc2F)cc1 ZINC000109816904 556588003 /nfs/dbraw/zinc/58/80/03/556588003.db2.gz NFBHLSCXBINUHJ-UHFFFAOYSA-N -1 3 444.326 3.597 50 0 IHAAHM O=C(Nc1ccccc1)[C@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000032932931 556676169 /nfs/dbraw/zinc/67/61/69/556676169.db2.gz NHEFAQAXGWTZBR-JOCHJYFZSA-N -1 3 438.505 3.506 50 0 IHAAHM CN(C)[C@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccco1 ZINC000033024255 556694748 /nfs/dbraw/zinc/69/47/48/556694748.db2.gz UOCIFMDWKQNPCF-LJQANCHMSA-N -1 3 447.944 3.767 50 0 IHAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Sc1nnc(-c2ccccn2)[n-]1 ZINC000334161308 556837261 /nfs/dbraw/zinc/83/72/61/556837261.db2.gz YWFOHUSHEFFOLR-UHFFFAOYSA-N -1 3 431.499 3.940 50 0 IHAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Sc1nc(-c2ccccn2)n[n-]1 ZINC000334161308 556837263 /nfs/dbraw/zinc/83/72/63/556837263.db2.gz YWFOHUSHEFFOLR-UHFFFAOYSA-N -1 3 431.499 3.940 50 0 IHAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)Sc1n[n-]c(-c2ccccn2)n1 ZINC000334161308 556837266 /nfs/dbraw/zinc/83/72/66/556837266.db2.gz YWFOHUSHEFFOLR-UHFFFAOYSA-N -1 3 431.499 3.940 50 0 IHAAHM CCS(=O)(=O)[N-]c1ccc(-c2noc([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)n2)cc1 ZINC000033122756 556863623 /nfs/dbraw/zinc/86/36/23/556863623.db2.gz MKHDJUCTUWMUCP-QGZVFWFLSA-N -1 3 440.525 3.636 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)cc1 ZINC000033129796 556869270 /nfs/dbraw/zinc/86/92/70/556869270.db2.gz BRVMGKVYXKWSIV-UHFFFAOYSA-N -1 3 427.570 3.516 50 0 IHAAHM O=C(C[C@H](c1ccccc1)c1cc(Br)ccc1[O-])NCCCN1CCOCC1 ZINC000020029138 556968134 /nfs/dbraw/zinc/96/81/34/556968134.db2.gz CUOJOGJOQCRFBM-LJQANCHMSA-N -1 3 447.373 3.515 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074726 557030959 /nfs/dbraw/zinc/03/09/59/557030959.db2.gz BNDLFGWPWJTOQQ-SFHVURJKSA-N -1 3 448.548 3.998 50 0 IHAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)c1 ZINC000046074778 557031189 /nfs/dbraw/zinc/03/11/89/557031189.db2.gz HIHMFGORTLOSEG-INIZCTEOSA-N -1 3 434.521 3.744 50 0 IHAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2F)CC(=O)N3)cc1 ZINC000046074941 557031527 /nfs/dbraw/zinc/03/15/27/557031527.db2.gz AKWWYLHVPCTPPI-CQSZACIVSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccc(F)cc1NC(=O)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 ZINC000046075711 557032422 /nfs/dbraw/zinc/03/24/22/557032422.db2.gz ZYPXNNAYZNADAM-OAHLLOKOSA-N -1 3 438.484 3.574 50 0 IHAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)NCc1cccc(Cl)c1)C3 ZINC000049003210 557091148 /nfs/dbraw/zinc/09/11/48/557091148.db2.gz DGTDSFMYQWNBFS-UHFFFAOYSA-N -1 3 446.334 3.930 50 0 IHAAHM O=C1COc2cc(S(=O)(=O)[N-][C@@H](c3cccs3)c3ccccc3)c(Cl)cc2N1 ZINC000043774519 557124841 /nfs/dbraw/zinc/12/48/41/557124841.db2.gz SXDJUUKXJZGXEZ-LJQANCHMSA-N -1 3 434.926 3.800 50 0 IHAAHM CC(C)(C)c1ccc(CCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011451275 557150068 /nfs/dbraw/zinc/15/00/68/557150068.db2.gz FSGGMZVWTYSMIT-UHFFFAOYSA-N -1 3 434.627 3.948 50 0 IHAAHM O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011451179 557150186 /nfs/dbraw/zinc/15/01/86/557150186.db2.gz AHQUVKOXAFJHDR-UHFFFAOYSA-N -1 3 434.514 3.730 50 0 IHAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCO[C@@H](C)C1 ZINC000011497293 557153732 /nfs/dbraw/zinc/15/37/32/557153732.db2.gz AORWVYUTWCGTFF-KBPBESRZSA-N -1 3 429.567 3.521 50 0 IHAAHM CCCN(CC(=O)Nc1ccc(Br)c(C)c1)Cc1nc2ccsc2c(=O)[n-]1 ZINC000024843300 557173903 /nfs/dbraw/zinc/17/39/03/557173903.db2.gz SCPNFHKRQQAALB-UHFFFAOYSA-N -1 3 449.374 3.906 50 0 IHAAHM CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cs1 ZINC000024895285 557177361 /nfs/dbraw/zinc/17/73/61/557177361.db2.gz YNEKDDPCRWKYFG-UHFFFAOYSA-N -1 3 431.539 3.762 50 0 IHAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000101075344 557225573 /nfs/dbraw/zinc/22/55/73/557225573.db2.gz VARQVJBNNLKMKN-ZRBLBEILSA-N -1 3 448.450 3.894 50 0 IHAAHM COc1ccc(OC)c2c1CN(Cc1nc(=O)c3cc(-c4ccccc4)sc3[n-]1)C[C@@H]2O ZINC000026157755 557236435 /nfs/dbraw/zinc/23/64/35/557236435.db2.gz FRAUOEFKBBCGIT-KRWDZBQOSA-N -1 3 449.532 3.718 50 0 IHAAHM Cc1cc(C)n2nc(C(=O)[N-]c3ncc(Cc4ccccc4Br)s3)nc2n1 ZINC000026620926 557245840 /nfs/dbraw/zinc/24/58/40/557245840.db2.gz RHSYXQKBCNVKBU-UHFFFAOYSA-N -1 3 443.330 3.803 50 0 IHAAHM CCOC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000101142231 557262037 /nfs/dbraw/zinc/26/20/37/557262037.db2.gz BOJUQTZEHLILDF-AEFFLSMTSA-N -1 3 446.290 3.599 50 0 IHAAHM Cc1c(F)cccc1NC(=O)Nc1ccc(Cl)c(S(=O)(=O)[C@H]2CCCNC2)c1[O-] ZINC000095627831 557318897 /nfs/dbraw/zinc/31/88/97/557318897.db2.gz NGYNBSHYFOFVLS-LBPRGKRZSA-N -1 3 441.912 3.663 50 0 investigational IHAAHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccco2)cc1 ZINC000102912272 557411883 /nfs/dbraw/zinc/41/18/83/557411883.db2.gz KRTFUMFAYMRUBY-FDFHNCONSA-N -1 3 446.459 3.816 50 0 IHAAHM Cc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)c(C)c1 ZINC000051316765 557465411 /nfs/dbraw/zinc/46/54/11/557465411.db2.gz HRRUGLQTSIAIEF-UHFFFAOYSA-N -1 3 441.463 3.735 50 0 IHAAHM Cc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)c(C)c1 ZINC000051316765 557465415 /nfs/dbraw/zinc/46/54/15/557465415.db2.gz HRRUGLQTSIAIEF-UHFFFAOYSA-N -1 3 441.463 3.735 50 0 IHAAHM O=C([N-]c1cc(S(=O)(=O)N2CCCC2)ccc1Cl)c1cc(F)c(F)c(F)c1F ZINC000012615571 562982898 /nfs/dbraw/zinc/98/28/98/562982898.db2.gz PUJJXCWKJUQWDP-UHFFFAOYSA-N -1 3 436.814 3.933 50 0 IHAAHM CCCCNC(=O)c1cnc2ccc(S(=O)(=O)N(CC)c3cccc(C)c3)cc2c1[O-] ZINC000006296529 568882297 /nfs/dbraw/zinc/88/22/97/568882297.db2.gz GVXNCGQCDRFKDL-UHFFFAOYSA-N -1 3 441.553 3.582 50 0 IHAAHM O=C(CN1CCc2[n-]c3c(F)c(Cl)ccc3c(=O)c2C1)Nc1ccc2c(c1)OCCO2 ZINC000065035014 569092487 /nfs/dbraw/zinc/09/24/87/569092487.db2.gz ZVEQGCVWFLPCIP-UHFFFAOYSA-N -1 3 443.862 3.501 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ccc(C(=O)NC(C)C)cn3)cc2)cc1 ZINC000065063355 569097820 /nfs/dbraw/zinc/09/78/20/569097820.db2.gz XZVKGGGMMOOXFE-UHFFFAOYSA-N -1 3 441.509 3.822 50 0 IHAAHM O=c1ccc(-c2cccs2)nn1CCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000013799967 569157195 /nfs/dbraw/zinc/15/71/95/569157195.db2.gz QWVDQZXUZBTDIY-UHFFFAOYSA-N -1 3 444.365 3.647 50 0 IHAAHM COc1ccc(C[N-]S(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cn1 ZINC000014099439 569157773 /nfs/dbraw/zinc/15/77/73/569157773.db2.gz ADXJEYKXSUXRQL-UHFFFAOYSA-N -1 3 426.119 3.638 50 0 IHAAHM COc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119401 569182842 /nfs/dbraw/zinc/18/28/42/569182842.db2.gz PNZVVNMGDOMIBA-RDJZCZTQSA-N -1 3 431.286 3.636 50 0 biogenic IHAAHM COc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119403 569182849 /nfs/dbraw/zinc/18/28/49/569182849.db2.gz PNZVVNMGDOMIBA-DOTOQJQBSA-N -1 3 431.286 3.636 50 0 biogenic IHAAHM O=C([O-])c1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000002406500 569300268 /nfs/dbraw/zinc/30/02/68/569300268.db2.gz VARXRXVMXBPTGE-NJYVYQBISA-N -1 3 432.407 3.575 50 0 IHAAHM O=C(N[C@H]1CCCc2ccccc21)[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000020137170 569335817 /nfs/dbraw/zinc/33/58/17/569335817.db2.gz VUIDOEDHKMLRHR-PZJWPPBQSA-N -1 3 426.563 3.962 50 0 IHAAHM CC(C)c1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000020280953 569358739 /nfs/dbraw/zinc/35/87/39/569358739.db2.gz VCTKJWVGWNMRJA-GOSISDBHSA-N -1 3 432.571 3.756 50 0 IHAAHM COC(=O)C[C@@H](c1cnn(C)c1)c1oc(CSc2ccccc2Cl)cc(=O)c1[O-] ZINC000095474993 569372594 /nfs/dbraw/zinc/37/25/94/569372594.db2.gz HZJVATAYCVUHNK-AWEZNQCLSA-N -1 3 434.901 3.720 50 0 IHAAHM CCc1nc(CN(Cc2ccco2)C(=O)NC(C)C)[n-]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317647 569393561 /nfs/dbraw/zinc/39/35/61/569393561.db2.gz HOJKBWFXQONYJS-UHFFFAOYSA-N -1 3 438.528 3.645 50 0 IHAAHM COc1cccc(NC(=O)CN2CCc3[n-]c4c(OC)ccc(Cl)c4c(=O)c3C2)c1 ZINC000096326894 569396290 /nfs/dbraw/zinc/39/62/90/569396290.db2.gz YERDUZCKFQVVBI-UHFFFAOYSA-N -1 3 427.888 3.608 50 0 IHAAHM CCOC(=O)C[C@@H](c1ccc(OCc2ccccc2F)cc1)c1oc(CO)cc(=O)c1[O-] ZINC000096335752 569396635 /nfs/dbraw/zinc/39/66/35/569396635.db2.gz RXNSPIVYCQRWPX-IBGZPJMESA-N -1 3 442.439 3.641 50 0 IHAAHM COc1ccc(C)cc1NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000096399480 569400063 /nfs/dbraw/zinc/40/00/63/569400063.db2.gz FDICGOVFUSCDAB-UHFFFAOYSA-N -1 3 437.568 3.716 50 0 IHAAHM CCCN1CCc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)[n-]c(=O)c2C1 ZINC000067291714 569467621 /nfs/dbraw/zinc/46/76/21/569467621.db2.gz CYUMXINYSVCMJO-UHFFFAOYSA-N -1 3 426.464 3.700 50 0 IHAAHM Cc1cc(NC(=O)CSc2n[n-]c(COc3ccccc3C)n2)n(-c2ccccc2)n1 ZINC000008848625 569479148 /nfs/dbraw/zinc/47/91/48/569479148.db2.gz FHCKWOCDLKBCLO-UHFFFAOYSA-N -1 3 434.525 3.917 50 0 IHAAHM CN(C)c1ccc(CN=Nc2nc([N-]c3ccc([N+](=O)[O-])cc3)nc(N3CCCC3)n2)cc1 ZINC000008872747 569480996 /nfs/dbraw/zinc/48/09/96/569480996.db2.gz MBKSKRSWKOSLQW-UHFFFAOYSA-N -1 3 447.503 3.636 50 0 IHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@](O)(c1ccsc1)c1cccs1 ZINC000245187636 569498316 /nfs/dbraw/zinc/49/83/16/569498316.db2.gz ZRNJOYWRZZVIOR-QGZVFWFLSA-N -1 3 429.972 3.686 50 0 IHAAHM CC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-]CCC3=CCCCC3)cc21 ZINC000040450136 569506224 /nfs/dbraw/zinc/50/62/24/569506224.db2.gz CWXUMOPOYBTBGP-UHFFFAOYSA-N -1 3 427.364 3.527 50 0 IHAAHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1 ZINC000040450480 569506356 /nfs/dbraw/zinc/50/63/56/569506356.db2.gz MVIRLISNZCQGLC-MLGOLLRUSA-N -1 3 441.391 3.605 50 0 IHAAHM C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009203442 569511294 /nfs/dbraw/zinc/51/12/94/569511294.db2.gz IEDSZXBNXKCAPU-AWEZNQCLSA-N -1 3 442.566 3.880 50 0 IHAAHM Cn1c(SCC(=O)Nc2cccc(F)c2)nnc1-c1cc(Br)ccc1[O-] ZINC000009226026 569513226 /nfs/dbraw/zinc/51/32/26/569513226.db2.gz WNCHQKNSMFVWPX-UHFFFAOYSA-N -1 3 437.294 3.820 50 0 IHAAHM C[C@@H](Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)C(=O)Nc1ccc(Cl)cc1 ZINC000009255945 569516677 /nfs/dbraw/zinc/51/66/77/569516677.db2.gz YLITXDXWRFIKEC-GFCCVEGCSA-N -1 3 425.901 3.882 50 0 IHAAHM Cc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009490039 569540139 /nfs/dbraw/zinc/54/01/39/569540139.db2.gz QVUVMVNEDNVUHN-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 IHAAHM Cc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009490039 569540140 /nfs/dbraw/zinc/54/01/40/569540140.db2.gz QVUVMVNEDNVUHN-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 IHAAHM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CSc3nc[nH]n3)nc(=O)c12 ZINC000009608327 569552117 /nfs/dbraw/zinc/55/21/17/569552117.db2.gz QANHKHOBXFGVHS-UHFFFAOYSA-N -1 3 426.527 3.573 50 0 IHAAHM O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000009711998 569562147 /nfs/dbraw/zinc/56/21/47/569562147.db2.gz QIXJXTVDCWOQMP-FQEVSTJZSA-N -1 3 440.452 3.867 50 0 IHAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 ZINC000010077902 569577718 /nfs/dbraw/zinc/57/77/18/569577718.db2.gz SGJLPFVJXGGYMI-UHFFFAOYSA-N -1 3 440.477 3.542 50 0 IHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(Cl)ccc3C)ccc21 ZINC000012180460 520525172 /nfs/dbraw/zinc/52/51/72/520525172.db2.gz XMLKMELSHLXKPB-UHFFFAOYSA-N -1 3 442.990 3.942 50 0 IHAAHM CCOc1cc2c(cc1CNC(=O)CSc1n[n-]c(-c3cccs3)n1)O[C@H](C)C2 ZINC000012617272 520790632 /nfs/dbraw/zinc/79/06/32/520790632.db2.gz BNXQGTXGENLJSA-GFCCVEGCSA-N -1 3 430.555 3.664 50 0 IHAAHM CCC(CC)[C@H](CNC(=O)CCn1c(=S)[n-]nc1-c1cccc(C)c1)N1CCOCC1 ZINC000022898878 521617160 /nfs/dbraw/zinc/61/71/60/521617160.db2.gz SPWQZXABBFNIPG-FQEVSTJZSA-N -1 3 445.633 3.559 50 0 IHAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)Nc2ccccc2)c1OC ZINC000022589765 522896178 /nfs/dbraw/zinc/89/61/78/522896178.db2.gz FBPBGNZCLBXYJZ-UHFFFAOYSA-N -1 3 430.457 3.896 50 0 IHAAHM Cc1cccc2c1nc(C[N-]S(=O)(=O)c1ccc(F)cc1Cl)nc2N1CCCC1 ZINC000014888790 524966783 /nfs/dbraw/zinc/96/67/83/524966783.db2.gz XMMKEIYHOLKENO-UHFFFAOYSA-N -1 3 434.924 3.809 50 0 IHAAHM O=C(Cc1ccccc1)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000001232150 555686888 /nfs/dbraw/zinc/68/68/88/555686888.db2.gz DDKNMFRRSRWRSY-OAHLLOKOSA-N -1 3 432.760 3.734 50 0 IHAAHM CCOC(=O)c1c([N-]C(=O)c2nc3nc(C)cc(C(F)F)n3n2)sc2c1CC[C@@H](C)C2 ZINC000002768551 555814567 /nfs/dbraw/zinc/81/45/67/555814567.db2.gz GUYPNNVWEYSWNS-SECBINFHSA-N -1 3 449.483 3.986 50 0 IHAAHM CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c([O-])c(OCC)c2)C1=O ZINC000008875149 556230299 /nfs/dbraw/zinc/23/02/99/556230299.db2.gz MYHUMBNGGNEEAQ-ITTMYVLYSA-N -1 3 444.303 3.541 50 0 IHAAHM C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cc2ccccc2o1 ZINC000032745188 556314758 /nfs/dbraw/zinc/31/47/58/556314758.db2.gz IXZSUQISAXIYHG-AWEZNQCLSA-N -1 3 445.504 3.825 50 0 IHAAHM O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)[N-]C(=O)c1cccs1 ZINC000014141931 556377135 /nfs/dbraw/zinc/37/71/35/556377135.db2.gz RPYXJUUOTRSIFF-UHFFFAOYSA-N -1 3 448.957 3.956 50 0 IHAAHM COc1ccc(C[C@@H](NC(=O)c2ccc(-c3nnn[n-]3)cc2)c2ccc(OC)cc2)cc1 ZINC000014168408 556380516 /nfs/dbraw/zinc/38/05/16/556380516.db2.gz JTFUFRRGUWUURQ-JOCHJYFZSA-N -1 3 429.480 3.598 50 0 IHAAHM COc1ccc(C[C@@H](NC(=O)c2ccc(-c3nn[n-]n3)cc2)c2ccc(OC)cc2)cc1 ZINC000014168408 556380517 /nfs/dbraw/zinc/38/05/17/556380517.db2.gz JTFUFRRGUWUURQ-JOCHJYFZSA-N -1 3 429.480 3.598 50 0 IHAAHM CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000014237107 556399672 /nfs/dbraw/zinc/39/96/72/556399672.db2.gz AXQWDQKENWACAG-HNNXBMFYSA-N -1 3 447.520 3.739 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc2)cc1 ZINC000013096781 556457564 /nfs/dbraw/zinc/45/75/64/556457564.db2.gz FKLWGJHZWRAXCY-QHCPKHFHSA-N -1 3 437.565 3.829 50 0 IHAAHM Cc1nn(C)c(C)c1NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000029953437 556487272 /nfs/dbraw/zinc/48/72/72/556487272.db2.gz MTHJSZKQGCQTMZ-UHFFFAOYSA-N -1 3 436.896 3.883 50 0 IHAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)Cc1csc(-c2ccccc2Cl)n1 ZINC000032872078 556489832 /nfs/dbraw/zinc/48/98/32/556489832.db2.gz LEMYVZRPLYKMNP-UHFFFAOYSA-N -1 3 430.942 3.963 50 0 IHAAHM O=C([N-]c1nnc(CCCCc2nnc(NC(=O)c3ccco3)s2)s1)c1ccco1 ZINC000013425380 556505525 /nfs/dbraw/zinc/50/55/25/556505525.db2.gz GDWYBVRLMXDSFO-UHFFFAOYSA-N -1 3 444.498 3.646 50 0 IHAAHM CCOC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)c1ccccc1OCC)C(F)(F)F ZINC000003103565 556522843 /nfs/dbraw/zinc/52/28/43/556522843.db2.gz XMQROMUHPZJWIQ-IBGZPJMESA-N -1 3 428.382 3.888 50 0 IHAAHM Cc1sc2nc([C@@H](C)N3CCC(C(=O)Nc4ccccc4[O-])CC3)[nH]c(=O)c2c1C ZINC000015507437 556531968 /nfs/dbraw/zinc/53/19/68/556531968.db2.gz ZMXXJYJLKPUUJJ-CYBMUJFWSA-N -1 3 426.542 3.719 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC4CCCCC4)CC3)cc2)cc1 ZINC000015869589 556560306 /nfs/dbraw/zinc/56/03/06/556560306.db2.gz PMHDGPIQKCLEJN-UHFFFAOYSA-N -1 3 428.554 3.977 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@H]4C3=O)ccc2C)cc1 ZINC000032975677 556600354 /nfs/dbraw/zinc/60/03/54/556600354.db2.gz VSBGXJMFQQTQDH-WOJBJXKFSA-N -1 3 426.538 3.779 50 0 IHAAHM CCN1CCN(c2ccc(NC(=O)c3ccc(Br)cc3)cc2C(=O)[O-])CC1 ZINC000033078732 556853881 /nfs/dbraw/zinc/85/38/81/556853881.db2.gz UZKBZYOPVGMHFE-UHFFFAOYSA-N -1 3 432.318 3.542 50 0 IHAAHM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)CN3CC(=O)N2CCCC2)c1C ZINC000033129723 556869033 /nfs/dbraw/zinc/86/90/33/556869033.db2.gz UNJTZQCEGZLMDR-UHFFFAOYSA-N -1 3 441.597 3.824 50 0 IHAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)CCN3C(=O)c2cccnc2)cc1C ZINC000019819338 556922514 /nfs/dbraw/zinc/92/25/14/556922514.db2.gz FATQJECREUKUHG-UHFFFAOYSA-N -1 3 437.521 3.711 50 0 IHAAHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074339 557030702 /nfs/dbraw/zinc/03/07/02/557030702.db2.gz DUMUTIAOMNCLGB-KRWDZBQOSA-N -1 3 448.548 3.732 50 0 IHAAHM O=c1nc(CN[C@@H](CN2CCOCC2)c2ccccc2)[n-]c2sc(-c3ccccc3)cc21 ZINC000022930147 557049755 /nfs/dbraw/zinc/04/97/55/557049755.db2.gz JJAZLVYDYNCLRY-NRFANRHFSA-N -1 3 446.576 3.815 50 0 IHAAHM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1ccc(OCCN2CCCCC2)cc1 ZINC000409415084 557110082 /nfs/dbraw/zinc/11/00/82/557110082.db2.gz SSSDFYLODJMLTF-UHFFFAOYSA-N -1 3 436.508 3.853 50 0 biogenic IHAAHM Cc1c(C(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)cnn1-c1ccccc1C(F)(F)F ZINC000024750608 557162259 /nfs/dbraw/zinc/16/22/59/557162259.db2.gz YHMQITVQSQHQFL-UHFFFAOYSA-N -1 3 447.442 3.770 50 0 IHAAHM C[C@@H]1CCc2nc([N-]C(=O)c3sccc3S(=O)(=O)N3CCCCC3)sc2C1 ZINC000024775942 557166569 /nfs/dbraw/zinc/16/65/69/557166569.db2.gz QJRFIBFAFZRFFZ-GFCCVEGCSA-N -1 3 425.601 3.756 50 0 IHAAHM Cc1nc(-c2ccccc2)c(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)s1 ZINC000025906891 557230051 /nfs/dbraw/zinc/23/00/51/557230051.db2.gz NHGXXYMXXPZFNE-UHFFFAOYSA-N -1 3 447.607 3.763 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000101628508 557293238 /nfs/dbraw/zinc/29/32/38/557293238.db2.gz XLWCULIVXYZZJH-KDURUIRLSA-N -1 3 444.528 3.919 50 0 IHAAHM CCOC(=O)c1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccco2)cc1 ZINC000102196909 557314647 /nfs/dbraw/zinc/31/46/47/557314647.db2.gz RMZWPBIXXJEQBB-PCCBWWKXSA-N -1 3 432.432 3.507 50 0 IHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000102557238 557358802 /nfs/dbraw/zinc/35/88/02/557358802.db2.gz SECGSVQQLYOHTO-RDJZCZTQSA-N -1 3 449.688 3.712 50 0 IHAAHM COc1ccc2ccccc2c1[C@@H]1NC(=O)N[C@](O)(C(F)(F)F)C1=C([O-])c1ccccc1 ZINC000106213439 557523230 /nfs/dbraw/zinc/52/32/30/557523230.db2.gz CAPYRYAACVZIHP-CNNODRBYSA-N -1 3 444.409 3.952 50 0 IHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1c(=O)oc2ccccc2c1N1CCCC1 ZINC000045961857 557555330 /nfs/dbraw/zinc/55/53/30/557555330.db2.gz NXWNKBUUHKORRG-UHFFFAOYSA-N -1 3 434.901 3.856 50 0 IHAAHM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc4c(c3)OCCO4)ccc2OC)cc1 ZINC000018708024 557854756 /nfs/dbraw/zinc/85/47/56/557854756.db2.gz ZUFGKOHPCCRYNO-UHFFFAOYSA-N -1 3 427.478 3.943 50 0 IHAAHM CCCCN(CC)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000002494178 562928175 /nfs/dbraw/zinc/92/81/75/562928175.db2.gz MIHYNNNZRUFMHZ-UHFFFAOYSA-N -1 3 434.543 3.861 50 0 IHAAHM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc(Nc2cc(N(C)C)nc(C)n2)cc1 ZINC000015671328 568802766 /nfs/dbraw/zinc/80/27/66/568802766.db2.gz KZZLEWKKHBAGBY-UHFFFAOYSA-N -1 3 427.530 3.712 50 0 IHAAHM Cc1oc(-c2ccccc2C)nc1CSc1nc2c(nc[n-]c2=O)n1C[C@H]1CCCO1 ZINC000085704115 568835410 /nfs/dbraw/zinc/83/54/10/568835410.db2.gz FVPLPWNFIMUOCD-OAHLLOKOSA-N -1 3 437.525 3.863 50 0 IHAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCSc1ccccc1 ZINC000015832886 568842198 /nfs/dbraw/zinc/84/21/98/568842198.db2.gz YELGGMRUBAFBJZ-FQEVSTJZSA-N -1 3 445.566 3.867 50 0 IHAAHM Cc1sc2[n-]c([C@H]3S[C@](c4ccccc4)(C(F)(F)F)NC3=O)nc(=O)c2c1C ZINC000012946255 568871075 /nfs/dbraw/zinc/87/10/75/568871075.db2.gz HAMZKWOORWGIQF-SJKOYZFVSA-N -1 3 425.457 3.921 50 0 IHAAHM CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4F)C([O-])=C3ON2c2ccccc2)cc1 ZINC000102759237 568889148 /nfs/dbraw/zinc/88/91/48/568889148.db2.gz IZFKBBWLZQVYJB-DNVJHFABSA-N -1 3 445.450 3.835 50 0 IHAAHM CCOC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccco2)cc1 ZINC000238924264 568910308 /nfs/dbraw/zinc/91/03/08/568910308.db2.gz RMZWPBIXXJEQBB-NJDAHSKKSA-N -1 3 432.432 3.507 50 0 IHAAHM CC(C)NC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063341 569097870 /nfs/dbraw/zinc/09/78/70/569097870.db2.gz QXUGRHDYHMFJRR-UHFFFAOYSA-N -1 3 429.473 3.952 50 0 IHAAHM Cc1ccc(C)c(Oc2ccc(CNC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cn2)c1 ZINC000036394701 569098596 /nfs/dbraw/zinc/09/85/96/569098596.db2.gz XVHZNUHCLGRVNZ-UHFFFAOYSA-N -1 3 425.510 3.792 50 0 IHAAHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N[C@H](C)c2cccc(Cl)c2)cc1F ZINC000089960393 569169156 /nfs/dbraw/zinc/16/91/56/569169156.db2.gz JBXBUCDLDCFIQA-GFCCVEGCSA-N -1 3 434.942 3.670 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3nc(C)cc(N4CCCC4)n3)cc2)cc1 ZINC000017013775 569170797 /nfs/dbraw/zinc/17/07/97/569170797.db2.gz NQSNUUXZFDRXPF-UHFFFAOYSA-N -1 3 439.541 3.938 50 0 IHAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cc([C@@H](O)c3ccccn3)ccc2C)cc1OC ZINC000253425108 569267063 /nfs/dbraw/zinc/26/70/63/569267063.db2.gz PERIQWOGXCXZIH-JOCHJYFZSA-N -1 3 428.510 3.598 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2CC)cc1 ZINC000009434223 569296326 /nfs/dbraw/zinc/29/63/26/569296326.db2.gz UXTIONQWTZRDCI-UHFFFAOYSA-N -1 3 449.536 3.801 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2CC)cc1 ZINC000009434223 569296329 /nfs/dbraw/zinc/29/63/29/569296329.db2.gz UXTIONQWTZRDCI-UHFFFAOYSA-N -1 3 449.536 3.801 50 0 IHAAHM O=S(=O)([N-]c1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1ccc(Cl)cc1 ZINC000013009961 569306751 /nfs/dbraw/zinc/30/67/51/569306751.db2.gz ACSWDJGLLFWOIZ-UHFFFAOYSA-N -1 3 426.889 3.860 50 0 IHAAHM Cc1cc(S(=O)(=O)[N-]c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)cc(C)c1F ZINC000095447956 569367489 /nfs/dbraw/zinc/36/74/89/569367489.db2.gz QUAFRGRNLIZCGD-UHFFFAOYSA-N -1 3 446.953 3.681 50 0 IHAAHM COC(=O)C[C@@H](c1ccc(OCCc2ccccc2)c(OC)c1)c1oc(C)cc(=O)c1[O-] ZINC000096115168 569383133 /nfs/dbraw/zinc/38/31/33/569383133.db2.gz MEKDSOQZHJJKCH-IBGZPJMESA-N -1 3 438.476 3.979 50 0 biogenic IHAAHM COc1ccc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)c(OC)c1 ZINC000096117767 569384261 /nfs/dbraw/zinc/38/42/61/569384261.db2.gz HFWUDNXEXUELCY-SGTLLEGYSA-N -1 3 433.530 3.511 50 0 IHAAHM Cc1ccc(F)c(NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)c1 ZINC000096399494 569400079 /nfs/dbraw/zinc/40/00/79/569400079.db2.gz CZJCYXNMBDFXIY-UHFFFAOYSA-N -1 3 425.532 3.846 50 0 IHAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 ZINC000032093238 569459684 /nfs/dbraw/zinc/45/96/84/569459684.db2.gz UGRIRRHXHGXIQW-QFIPXVFZSA-N -1 3 427.932 3.952 50 0 IHAAHM CCOC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(OC)c1)c1ccccc1Cl ZINC000008955718 569490186 /nfs/dbraw/zinc/49/01/86/569490186.db2.gz LQUALTJKQCBKHN-MRXNPFEDSA-N -1 3 432.325 3.975 50 0 IHAAHM O=S(=O)([N-]C1CCN(c2ncnc3c2CCCC3)CC1)c1cc(Cl)ccc1Cl ZINC000245174021 569497970 /nfs/dbraw/zinc/49/79/70/569497970.db2.gz YGNFSOLBSLVZPA-UHFFFAOYSA-N -1 3 441.384 3.610 50 0 IHAAHM CCOC([O-])=NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C ZINC000009050000 569498623 /nfs/dbraw/zinc/49/86/23/569498623.db2.gz HKIIGSAFSLEWCM-UHFFFAOYSA-N -1 3 431.901 3.712 50 0 IHAAHM CCOC(=O)[N-]C(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1C ZINC000009050000 569498624 /nfs/dbraw/zinc/49/86/24/569498624.db2.gz HKIIGSAFSLEWCM-UHFFFAOYSA-N -1 3 431.901 3.712 50 0 IHAAHM COc1cc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccccc1Cl ZINC000009130047 569505901 /nfs/dbraw/zinc/50/59/01/569505901.db2.gz RDCSGMGRKSGSSN-HNNXBMFYSA-N -1 3 425.872 3.793 50 0 IHAAHM C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000009203449 569511275 /nfs/dbraw/zinc/51/12/75/569511275.db2.gz IEDSZXBNXKCAPU-CQSZACIVSA-N -1 3 442.566 3.880 50 0 IHAAHM CC(=O)c1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3[O-])n[nH]2)c1 ZINC000009227715 569513519 /nfs/dbraw/zinc/51/35/19/569513519.db2.gz PMSPPQZIZLXEJM-UHFFFAOYSA-N -1 3 447.314 3.873 50 0 IHAAHM CC(=O)c1cccc(NC(=O)CSc2n[nH]c(-c3cc(Br)ccc3[O-])n2)c1 ZINC000009227715 569513520 /nfs/dbraw/zinc/51/35/20/569513520.db2.gz PMSPPQZIZLXEJM-UHFFFAOYSA-N -1 3 447.314 3.873 50 0 IHAAHM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000009449997 569536290 /nfs/dbraw/zinc/53/62/90/569536290.db2.gz ASBVATCSOOSXIZ-UHFFFAOYSA-N -1 3 440.927 3.784 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccccc2C)cc1 ZINC000009490038 569540097 /nfs/dbraw/zinc/54/00/97/569540097.db2.gz NHGBRYOZZUYOBV-UHFFFAOYSA-N -1 3 435.509 3.547 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccccc2C)cc1 ZINC000009490038 569540098 /nfs/dbraw/zinc/54/00/98/569540098.db2.gz NHGBRYOZZUYOBV-UHFFFAOYSA-N -1 3 435.509 3.547 50 0 IHAAHM O=C(NCCc1ccc(Cl)cc1)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597739 569550926 /nfs/dbraw/zinc/55/09/26/569550926.db2.gz WQQCMAUFTQAKKU-IBGZPJMESA-N -1 3 434.970 3.780 50 0 IHAAHM CCOC(=O)c1[n-]c(COC(=O)CCCOc2ccc(OC)cc2)c(C(=O)OCC)c1C ZINC000009670255 569558304 /nfs/dbraw/zinc/55/83/04/569558304.db2.gz WQXADRZQVDVNCC-UHFFFAOYSA-N -1 3 447.484 3.588 50 0 IHAAHM O=S(=O)([N-]CCN1CCC(c2cccs2)CC1)c1ccc(Br)s1 ZINC000077104218 569585587 /nfs/dbraw/zinc/58/55/87/569585587.db2.gz CLZQKOVSUIFGHW-UHFFFAOYSA-N -1 3 435.434 3.730 50 0 IHAAHM Cc1c(CC[N-]S(=O)(=O)c2ccccc2F)sc2nc(-c3ccc(C)cc3)nn12 ZINC000009808988 569569046 /nfs/dbraw/zinc/56/90/46/569569046.db2.gz TYGCEWHOUDRKGP-UHFFFAOYSA-N -1 3 430.530 3.735 50 0 IHAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(Cl)cc1)CN1CCN(C/C=C/c2ccccc2)CC1 ZINC000071279566 569573572 /nfs/dbraw/zinc/57/35/72/569573572.db2.gz DXFXUJLNSHCZDV-WWPOYFSUSA-N -1 3 441.959 3.700 50 0 IHAAHM COc1cc([C@H]2NC(=O)N(C)C(C)=C2C(=O)OCCC(C)C)cc(Br)c1[O-] ZINC000000662953 193877098 /nfs/dbraw/zinc/87/70/98/193877098.db2.gz SFSMDZACYQONEQ-MRXNPFEDSA-N -1 3 441.322 3.723 50 0 IHAAHM Cc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4ccccc4)ccc32)cc1 ZINC000008608712 132287785 /nfs/dbraw/zinc/28/77/85/132287785.db2.gz WMBQKFZMFSMHHA-UHFFFAOYSA-N -1 3 442.562 3.937 50 0 IHAAHM Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)[N-]c1ccc(F)c(NS(C)(=O)=O)c1 ZINC000012898621 524200909 /nfs/dbraw/zinc/20/09/09/524200909.db2.gz YMQCNCZIDWIAQV-UHFFFAOYSA-N -1 3 428.551 3.912 50 0 IHAAHM C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000012548485 525068851 /nfs/dbraw/zinc/06/88/51/525068851.db2.gz JNMIOQXTGQOHPW-SZNDQCEHSA-N -1 3 442.468 3.794 50 0 IHAAHM C[C@@H](OC(=O)C[N-]S(=O)(=O)C=Cc1ccccc1)C(=O)c1ccc(C(C)(C)C)cc1 ZINC000035681465 525889307 /nfs/dbraw/zinc/88/93/07/525889307.db2.gz KCOQPQOQOJZKSF-NHRMXYMRSA-N -1 3 429.538 3.689 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(C)c3)cc2)cc1 ZINC000000674303 555533054 /nfs/dbraw/zinc/53/30/54/555533054.db2.gz NQKMEXHHANNVFY-UHFFFAOYSA-N -1 3 426.494 3.822 50 0 IHAAHM CCOC(=O)C(=O)[N-]c1sc(C(=O)Nc2cccc(Cl)c2)c(C)c1C(=O)OCC ZINC000002880680 555854896 /nfs/dbraw/zinc/85/48/96/555854896.db2.gz NWGIRFPNJODIEM-UHFFFAOYSA-N -1 3 438.889 3.641 50 0 IHAAHM CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc([O-])c(I)c1 ZINC000009296040 556275281 /nfs/dbraw/zinc/27/52/81/556275281.db2.gz FMGYRWDWGVUNTM-UVTDQMKNSA-N -1 3 436.274 3.601 50 0 IHAAHM COc1ccccc1Oc1ccc(NC(=O)CCn2[n-]c(=O)c3ccccc3c2=O)cc1 ZINC000014245612 556405524 /nfs/dbraw/zinc/40/55/24/556405524.db2.gz IXEVBFFBZWHODD-UHFFFAOYSA-N -1 3 431.448 3.520 50 0 IHAAHM C[C@@H](CCc1ccccc1)NC(=O)CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000028198415 556445227 /nfs/dbraw/zinc/44/52/27/556445227.db2.gz HNHRUPKYEVPADF-HNNXBMFYSA-N -1 3 428.476 3.511 50 0 IHAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 ZINC000030581987 556498378 /nfs/dbraw/zinc/49/83/78/556498378.db2.gz NBZYCDFHIQTRSJ-FQEVSTJZSA-N -1 3 443.532 3.951 50 0 IHAAHM CC(C)c1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115304 556554733 /nfs/dbraw/zinc/55/47/33/556554733.db2.gz PCEDFWJTQRQANA-OAQYLSRUSA-N -1 3 442.581 3.938 50 0 IHAAHM CC(C)N(C(=O)COC(=O)c1ccc([N-]S(=O)(=O)/C=C\c2ccccc2)cc1)C(C)C ZINC000033731970 556628411 /nfs/dbraw/zinc/62/84/11/556628411.db2.gz MEQUIDGCRIIGAT-PFONDFGASA-N -1 3 444.553 3.901 50 0 IHAAHM CCN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@@H]2C1 ZINC000016956712 556650374 /nfs/dbraw/zinc/65/03/74/556650374.db2.gz IIWDOUYSHMKYQW-CVDCTZTESA-N -1 3 438.915 3.516 50 0 IHAAHM CCCS(=O)(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)CC)C[C@H]1c1ccc(C)cc1 ZINC000072314463 556701360 /nfs/dbraw/zinc/70/13/60/556701360.db2.gz ZSEKQBWQKWEABE-NRFANRHFSA-N -1 3 449.598 3.648 50 0 IHAAHM Cc1oc(-c2n[nH]cc2C(=O)N2CCCC2)cc1S(=O)(=O)[N-]c1ccc(C)cc1Cl ZINC000097940838 556811613 /nfs/dbraw/zinc/81/16/13/556811613.db2.gz VCEHMCFDBCESPD-UHFFFAOYSA-N -1 3 448.932 3.977 50 0 IHAAHM CCCNC(=O)c1ccc(OCc2nnc(C(=O)[N-]c3ccc(F)c(F)c3)s2)cc1 ZINC000033114349 556861310 /nfs/dbraw/zinc/86/13/10/556861310.db2.gz QXIUKZJRTWQOKG-UHFFFAOYSA-N -1 3 432.452 3.787 50 0 IHAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2F)CC(=O)N3)c1 ZINC000046074809 557031070 /nfs/dbraw/zinc/03/10/70/557031070.db2.gz ZLFSYMWSBYTTGM-CQSZACIVSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4C)[n-]c(=O)c32)cc1 ZINC000046074680 557031121 /nfs/dbraw/zinc/03/11/21/557031121.db2.gz HMCKKDFLHSSGSM-QGZVFWFLSA-N -1 3 434.521 3.744 50 0 IHAAHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccc(C)cc3)[n-]c(=O)c21 ZINC000046074950 557031512 /nfs/dbraw/zinc/03/15/12/557031512.db2.gz PZVCLHHTFYXUNR-QGZVFWFLSA-N -1 3 448.548 3.998 50 0 IHAAHM Cc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccc(F)cc3)[n-]c(=O)c21 ZINC000046075350 557032000 /nfs/dbraw/zinc/03/20/00/557032000.db2.gz XTKWAFYZCMSVBJ-OAHLLOKOSA-N -1 3 438.484 3.574 50 0 IHAAHM O=c1c2c[n-]nc2nc(SCc2nc(-c3cccs3)no2)n1-c1ccc(F)c(F)c1 ZINC000033292223 557070133 /nfs/dbraw/zinc/07/01/33/557070133.db2.gz KYXHFWMOFNYMHS-UHFFFAOYSA-N -1 3 444.448 3.791 50 0 IHAAHM O=c1c2cn[n-]c2nc(SCc2nc(-c3cccs3)no2)n1-c1ccc(F)c(F)c1 ZINC000033292223 557070135 /nfs/dbraw/zinc/07/01/35/557070135.db2.gz KYXHFWMOFNYMHS-UHFFFAOYSA-N -1 3 444.448 3.791 50 0 IHAAHM CCOc1cc(C=CC(=O)Nc2nc(-c3ccccc3OC)n[n-]2)ccc1OC(F)F ZINC000048373852 557076003 /nfs/dbraw/zinc/07/60/03/557076003.db2.gz BGDDXBKQYRLNCV-PKNBQFBNSA-N -1 3 430.411 3.554 50 0 IHAAHM Cc1ccc(C(C)C)cc1OCC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011449686 557148638 /nfs/dbraw/zinc/14/86/38/557148638.db2.gz DJIRQAWXACPLCT-UHFFFAOYSA-N -1 3 436.599 3.528 50 0 IHAAHM Cc1ccc(C(C)C)c(OCC(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000011450732 557149355 /nfs/dbraw/zinc/14/93/55/557149355.db2.gz SLPBNUKKIRYPOV-UHFFFAOYSA-N -1 3 436.599 3.528 50 0 IHAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1 ZINC000024576530 557151905 /nfs/dbraw/zinc/15/19/05/557151905.db2.gz ZCIBRTNFITWCKX-HOTGVXAUSA-N -1 3 427.530 3.792 50 0 IHAAHM CCOc1ccccc1CN1CCN(Cc2cc(Cl)c([O-])c(OC)c2)C[C@@H]1CCO ZINC000096791617 557205128 /nfs/dbraw/zinc/20/51/28/557205128.db2.gz AVXACDCWJKFLLD-IBGZPJMESA-N -1 3 434.964 3.522 50 0 IHAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@H]3c2ccc(C)o2)cc1 ZINC000018144796 557243149 /nfs/dbraw/zinc/24/31/49/557243149.db2.gz OCZMTJMEJFNJHE-BHIFYINESA-N -1 3 446.459 3.734 50 0 IHAAHM COc1cc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc(Br)c1[O-] ZINC000000819289 557261527 /nfs/dbraw/zinc/26/15/27/557261527.db2.gz DWTZHRXWMUTLHT-UHFFFAOYSA-N -1 3 425.367 3.634 50 0 IHAAHM COCc1nc(=O)c2c(C)c(C(=O)OC[C@@]3(C)CCCN3Cc3ccccc3)sc2[n-]1 ZINC000072310754 557333007 /nfs/dbraw/zinc/33/30/07/557333007.db2.gz SWTNEWBAQIDQBE-HSZRJFAPSA-N -1 3 441.553 3.651 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)N(C)c2cccc(C)c2)cc1 ZINC000051316461 557464394 /nfs/dbraw/zinc/46/43/94/557464394.db2.gz OAPUDKRQDDWWCY-UHFFFAOYSA-N -1 3 449.536 3.571 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)N(C)c2cccc(C)c2)cc1 ZINC000051316461 557464397 /nfs/dbraw/zinc/46/43/97/557464397.db2.gz OAPUDKRQDDWWCY-UHFFFAOYSA-N -1 3 449.536 3.571 50 0 IHAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 ZINC000009671624 562975216 /nfs/dbraw/zinc/97/52/16/562975216.db2.gz PWLSSSMPMVFUFZ-QHCPKHFHSA-N -1 3 437.565 3.829 50 0 IHAAHM CCOC(=O)N[C@@]([N-]c1ccc(OC(F)(F)Cl)cc1)(C(=O)OCC)C(F)(F)F ZINC000003672611 568754298 /nfs/dbraw/zinc/75/42/98/568754298.db2.gz DPXDMGABDLXUHY-ZDUSSCGKSA-N -1 3 434.745 3.834 50 0 IHAAHM CC(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCN(C/C=C/c2ccccc2)CC1 ZINC000032100737 568780577 /nfs/dbraw/zinc/78/05/77/568780577.db2.gz IXAKPYLUZMFMJM-LNJOJYBOSA-N -1 3 432.524 3.583 50 0 IHAAHM C[C@H]1CSc2ccc(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)cc2NC1=O ZINC000015731213 568814586 /nfs/dbraw/zinc/81/45/86/568814586.db2.gz LMSCSULAGPYULT-HNNXBMFYSA-N -1 3 431.583 3.764 50 0 IHAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]CC3CCN(Cc4cccc(F)c4)CC3)s2)n[nH]1 ZINC000015734989 568816533 /nfs/dbraw/zinc/81/65/33/568816533.db2.gz HOWWWRXIGGJFJN-UHFFFAOYSA-N -1 3 448.589 3.776 50 0 IHAAHM CCOc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCc1ccc(C)cc1 ZINC000015832878 568842169 /nfs/dbraw/zinc/84/21/69/568842169.db2.gz WLOQZSGRBMAWLU-NRFANRHFSA-N -1 3 427.526 3.974 50 0 IHAAHM COc1cc([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OCCSc1ccccc1 ZINC000015832888 568842220 /nfs/dbraw/zinc/84/22/20/568842220.db2.gz YELGGMRUBAFBJZ-HXUWFJFHSA-N -1 3 445.566 3.867 50 0 IHAAHM CCCOc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000245313100 568914867 /nfs/dbraw/zinc/91/48/67/568914867.db2.gz ZZEGYUHGFNNAND-DNVJHFABSA-N -1 3 429.476 3.922 50 0 IHAAHM CCn1c(=O)sc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)ccc21 ZINC000064946792 568993717 /nfs/dbraw/zinc/99/37/17/568993717.db2.gz NWDUPLCXIUTKMQ-UHFFFAOYSA-N -1 3 431.308 3.785 50 0 IHAAHM COc1ccc(OC)c(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)c1 ZINC000065034988 569092432 /nfs/dbraw/zinc/09/24/32/569092432.db2.gz OAHKRIIWYQCKGS-UHFFFAOYSA-N -1 3 445.878 3.747 50 0 IHAAHM Cc1ccc(-c2noc(C(=O)N3CCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000065318883 569134594 /nfs/dbraw/zinc/13/45/94/569134594.db2.gz RCKIWINMNQPGMY-UHFFFAOYSA-N -1 3 446.916 3.735 50 0 IHAAHM Cc1cc(S(=O)(=O)[N-]C[C@H](c2ccoc2)N2CCSCC2)c(Cl)cc1Cl ZINC000253401678 569264930 /nfs/dbraw/zinc/26/49/30/569264930.db2.gz NKJTWSVOQLIWTC-MRXNPFEDSA-N -1 3 435.398 3.963 50 0 IHAAHM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)CCCOCc3ccccc3)cc2)CC1 ZINC000328595887 569317880 /nfs/dbraw/zinc/31/78/80/569317880.db2.gz IYDOZOYCOPLFJM-UHFFFAOYSA-N -1 3 430.570 3.907 50 0 IHAAHM COc1cc2c(cc1OC)[C@@H](c1c(=O)[nH]c(=S)n(CCC3=CCCCC3)c1[O-])NCC2 ZINC000020113958 569334816 /nfs/dbraw/zinc/33/48/16/569334816.db2.gz CYDQUPYBBLOGOT-FQEVSTJZSA-N -1 3 443.569 3.754 50 0 biogenic IHAAHM Cc1ccc([O-])c(C(=O)Nc2nc(CC(=O)N(C)CCc3ccc(F)cc3)cs2)c1 ZINC000096004312 569379149 /nfs/dbraw/zinc/37/91/49/569379149.db2.gz YJNCPQWKASJCHM-UHFFFAOYSA-N -1 3 427.501 3.792 50 0 IHAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000096297366 569391905 /nfs/dbraw/zinc/39/19/05/569391905.db2.gz IRDDNVUFRRBXFA-AEFFLSMTSA-N -1 3 446.290 3.599 50 0 IHAAHM CS(=O)(=O)[N-]c1ccc2nc(SCC(=O)NCc3cccc(Cl)c3)sc2c1 ZINC000096399498 569399997 /nfs/dbraw/zinc/39/99/97/569399997.db2.gz IFRZDFFWNHBJDQ-UHFFFAOYSA-N -1 3 441.987 3.730 50 0 IHAAHM CSCC[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)Nc1ccc(Br)cc1 ZINC000002469103 569403939 /nfs/dbraw/zinc/40/39/39/569403939.db2.gz CYPBCNNWBXTEMM-ZDUSSCGKSA-N -1 3 449.417 3.549 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 ZINC000029098095 569426650 /nfs/dbraw/zinc/42/66/50/569426650.db2.gz ZVPBXZWXPOKJTB-ZBFHGGJFSA-N -1 3 427.526 3.503 50 0 IHAAHM CCOc1ccccc1NC(=O)c1ccc(F)c(S(=O)(=O)[N-]CCc2ccccc2)c1 ZINC000003022417 569435978 /nfs/dbraw/zinc/43/59/78/569435978.db2.gz YSMYKAVAABBKHU-UHFFFAOYSA-N -1 3 442.512 3.998 50 0 IHAAHM COc1ccc2[nH]cc(CCNC(=O)CCc3c(C)c4ccc([O-])c(C)c4oc3=O)c2c1 ZINC000008877336 569481226 /nfs/dbraw/zinc/48/12/26/569481226.db2.gz DLEMNYFQAATYFH-UHFFFAOYSA-N -1 3 434.492 3.897 50 0 biogenic IHAAHM Cc1ccccc1OCc1nc(SCC(=O)Nc2ccc(N3CCCC3=O)cc2)n[n-]1 ZINC000008937643 569488139 /nfs/dbraw/zinc/48/81/39/569488139.db2.gz UFCLOOVSPBPYQI-UHFFFAOYSA-N -1 3 437.525 3.550 50 0 IHAAHM CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)c1 ZINC000009051158 569498652 /nfs/dbraw/zinc/49/86/52/569498652.db2.gz KPLKJZDKEAERDX-AWEZNQCLSA-N -1 3 433.493 3.843 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1c[nH]c2ccccc21)c1ccc(N(C)C)cc1 ZINC000009126157 569504796 /nfs/dbraw/zinc/50/47/96/569504796.db2.gz XIQOEDUBQNECGD-FQEVSTJZSA-N -1 3 438.553 3.949 50 0 IHAAHM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)C(=O)C(C)(C)CO3)cc1 ZINC000009170249 569509274 /nfs/dbraw/zinc/50/92/74/569509274.db2.gz JQLQQPHSRFCNEI-UHFFFAOYSA-N -1 3 432.542 3.904 50 0 IHAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)N1CCc2ccccc21 ZINC000009590909 569550086 /nfs/dbraw/zinc/55/00/86/569550086.db2.gz SNKLZANOVWVGPK-UHFFFAOYSA-N -1 3 437.912 3.856 50 0 IHAAHM CC(=O)c1ccc(S(=O)(=O)NCc2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2)cc1 ZINC000009614050 569553107 /nfs/dbraw/zinc/55/31/07/569553107.db2.gz HGNFEPYGQCLANE-UHFFFAOYSA-N -1 3 438.505 3.634 50 0 IHAAHM COc1cccc(CNC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)ccc2C)c1 ZINC000009950077 569574347 /nfs/dbraw/zinc/57/43/47/569574347.db2.gz ZGTKVXJDOSRIPH-UHFFFAOYSA-N -1 3 428.485 3.874 50 0 IHAAHM O=c1cc(CSc2nc3ccccc3s2)nc(N2CCN(c3ccccc3)CC2)[n-]1 ZINC000008758012 132293164 /nfs/dbraw/zinc/29/31/64/132293164.db2.gz HUYFRHDEWAIYOK-UHFFFAOYSA-N -1 3 435.578 3.999 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3c(C)cccc3C)cc2)S1 ZINC000020895565 519643252 /nfs/dbraw/zinc/64/32/52/519643252.db2.gz JLFQLXXGPNFCQT-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccccc3Cl)cc2)S1 ZINC000020895593 519643553 /nfs/dbraw/zinc/64/35/53/519643553.db2.gz KPPCDHLYIMYXOD-IBGZPJMESA-N -1 3 433.917 3.799 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccc(OCCOc3ccc(C)cc3C)cc2)S1 ZINC000020895574 519643656 /nfs/dbraw/zinc/64/36/56/519643656.db2.gz FKIUOGRAZHJEHV-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1 ZINC000033306448 519702222 /nfs/dbraw/zinc/70/22/22/519702222.db2.gz KXWSSHCQRMCYBN-VQHVLOKHSA-N -1 3 435.502 3.791 50 0 IHAAHM CCCOc1cccc([C@@H]2NC(=O)N[C@](O)(C(F)(F)F)C2=C([O-])c2ccc(C)cc2)c1 ZINC000012291666 520468286 /nfs/dbraw/zinc/46/82/86/520468286.db2.gz IVOIDBVVNSDLPP-BBTUJRGHSA-N -1 3 436.430 3.888 50 0 IHAAHM CCOC(=O)[C@H]1CCCN([C@H](c2sc3nc(C)nn3c2[O-])c2ccc(OCC)cc2)C1 ZINC000022626215 521300093 /nfs/dbraw/zinc/30/00/93/521300093.db2.gz LAAOEHWWDROFND-WMZOPIPTSA-N -1 3 444.557 3.568 50 0 IHAAHM CCN(Cc1ccc(Cl)s1)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC ZINC000024443645 521313472 /nfs/dbraw/zinc/31/34/72/521313472.db2.gz QYTGYUWEQCPGNO-UHFFFAOYSA-N -1 3 434.949 3.605 50 0 IHAAHM CCCCc1nnc([N-]C(=O)c2cc(S(=O)(=O)NC3CC3)c(Cl)cc2Cl)s1 ZINC000022742943 521326273 /nfs/dbraw/zinc/32/62/73/521326273.db2.gz XXELONZXLNMXKR-UHFFFAOYSA-N -1 3 449.385 3.881 50 0 IHAAHM CN(C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccco1 ZINC000012767623 522027409 /nfs/dbraw/zinc/02/74/09/522027409.db2.gz HAQMZDPDJKWFFA-IBGZPJMESA-N -1 3 447.944 3.767 50 0 IHAAHM COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(I)c1[O-] ZINC000012608714 522930286 /nfs/dbraw/zinc/93/02/86/522930286.db2.gz QJZZIIGECCIQMI-QGZVFWFLSA-N -1 3 436.249 3.734 50 0 IHAAHM C[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[n-]n21 ZINC000021537312 524091052 /nfs/dbraw/zinc/09/10/52/524091052.db2.gz GLUPNIJTVXLEID-OAHLLOKOSA-N -1 3 439.585 3.875 50 0 IHAAHM Cc1ccc(CN2CCc3nc(SCC(=O)Nc4ccc(F)cc4)[n-]c(=O)c3C2)cc1 ZINC000020467778 524477684 /nfs/dbraw/zinc/47/76/84/524477684.db2.gz GWMYGLPFMHLKLU-UHFFFAOYSA-N -1 3 438.528 3.919 50 0 IHAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1ccccc1Br ZINC000020848774 525512495 /nfs/dbraw/zinc/51/24/95/525512495.db2.gz WWGXFECPAUBSNG-UHFFFAOYSA-N -1 3 431.275 3.702 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000021897161 525619255 /nfs/dbraw/zinc/61/92/55/525619255.db2.gz XPFYSNDUUMAIBX-UHFFFAOYSA-N -1 3 442.468 3.958 50 0 IHAAHM Cc1cc(Br)ccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000020604252 526170817 /nfs/dbraw/zinc/17/08/17/526170817.db2.gz WEQNGVOCHIYJFL-HNNXBMFYSA-N -1 3 431.377 3.761 50 0 IHAAHM O=C(CCc1ccc2c(c1)OCO2)Nc1cccc(S(=O)(=O)[N-]c2ccccc2F)c1 ZINC000012608147 526599507 /nfs/dbraw/zinc/59/95/07/526599507.db2.gz BXSOAFPKQDYXSZ-UHFFFAOYSA-N -1 3 442.468 3.927 50 0 IHAAHM O=S(=O)([N-]CCc1cccs1)c1cc(Br)ccc1Br ZINC000012892358 527219675 /nfs/dbraw/zinc/21/96/75/527219675.db2.gz LLYRFCXGDQGJBD-UHFFFAOYSA-N -1 3 425.167 3.794 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3nn(C)c(=O)c4ccccc43)ccc2C)cc1 ZINC000001131088 555644483 /nfs/dbraw/zinc/64/44/83/555644483.db2.gz VOJIRRVDXZFORV-UHFFFAOYSA-N -1 3 435.505 3.718 50 0 IHAAHM COc1cc(/C=C2/NC(=O)N(Cc3ccc(Br)cc3)C2=O)cc(Cl)c1[O-] ZINC000001145295 555652901 /nfs/dbraw/zinc/65/29/01/555652901.db2.gz AOBKSPHWXNPKTN-VGOFMYFVSA-N -1 3 437.677 3.910 50 0 IHAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)Nc2ccc(Cl)cc2)c(OC)c1)C(F)(F)F ZINC000002276053 555764733 /nfs/dbraw/zinc/76/47/33/555764733.db2.gz VVGWFFQNUYUDJT-KRWDZBQOSA-N -1 3 432.782 3.916 50 0 IHAAHM CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2OC)sc1[N-]C(=O)c1cnccn1 ZINC000002759942 556137787 /nfs/dbraw/zinc/13/77/87/556137787.db2.gz GNSOYCVMEWLMER-UHFFFAOYSA-N -1 3 440.481 3.536 50 0 IHAAHM O=C(COc1ccccc1)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000008672691 556198531 /nfs/dbraw/zinc/19/85/31/556198531.db2.gz KUJOTDUAHRBTQI-HNNXBMFYSA-N -1 3 448.759 3.570 50 0 IHAAHM Cc1ccc(C)c([N-]S(=O)(=O)c2ccc(NC3=NS(=O)(=O)c4ccccc43)cc2)c1 ZINC000008715405 556201818 /nfs/dbraw/zinc/20/18/18/556201818.db2.gz UAFJQMMMCMTHKF-UHFFFAOYSA-N -1 3 441.534 3.665 50 0 IHAAHM Cn1c(SCC(=O)N2CCc3ccccc32)nnc1-c1cc(Br)ccc1[O-] ZINC000009235338 556263472 /nfs/dbraw/zinc/26/34/72/556263472.db2.gz WQDCOTYPZXONPT-UHFFFAOYSA-N -1 3 445.342 3.632 50 0 IHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2OC)c(Br)c1 ZINC000032770638 556334466 /nfs/dbraw/zinc/33/44/66/556334466.db2.gz LOHVIWIJKWFNMY-LBPRGKRZSA-N -1 3 442.331 3.674 50 0 IHAAHM COc1cccc([C@]2(C)NC(=O)N([N-]C(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000014135673 556375073 /nfs/dbraw/zinc/37/50/73/556375073.db2.gz XZRKTLOOESUSLV-DEOSSOPVSA-N -1 3 431.448 3.600 50 0 IHAAHM CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)cc1 ZINC000014237104 556399700 /nfs/dbraw/zinc/39/97/00/556399700.db2.gz AXQWDQKENWACAG-OAHLLOKOSA-N -1 3 447.520 3.739 50 0 IHAAHM CCOC([O-])=NC(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000028696613 556459139 /nfs/dbraw/zinc/45/91/39/556459139.db2.gz CTINJFBCYXVMGN-UHFFFAOYSA-N -1 3 435.889 3.537 50 0 IHAAHM CCOC(=O)[N-]C(=O)COC(=O)c1cc2c(C)nn(Cc3ccc(Cl)cc3)c2s1 ZINC000028696613 556459142 /nfs/dbraw/zinc/45/91/42/556459142.db2.gz CTINJFBCYXVMGN-UHFFFAOYSA-N -1 3 435.889 3.537 50 0 IHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2F)c(Br)c1 ZINC000029940060 556487029 /nfs/dbraw/zinc/48/70/29/556487029.db2.gz QOQWVJVMOXSXGT-NSHDSACASA-N -1 3 430.295 3.804 50 0 IHAAHM Cc1sc2nc([C@H](C)N3CCC(C(=O)Nc4ccccc4[O-])CC3)[nH]c(=O)c2c1C ZINC000015507439 556531957 /nfs/dbraw/zinc/53/19/57/556531957.db2.gz ZMXXJYJLKPUUJJ-ZDUSSCGKSA-N -1 3 426.542 3.719 50 0 IHAAHM O=C(CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)N1CCC[C@H]1c1cccs1 ZINC000032721827 556547366 /nfs/dbraw/zinc/54/73/66/556547366.db2.gz PTAACPWKHGKFAO-INIZCTEOSA-N -1 3 437.550 3.626 50 0 IHAAHM Cc1c(Cl)cccc1NC(=O)CSc1nnc2[n-]c(=O)c(Cc3ccccc3)nn21 ZINC000015882055 556560834 /nfs/dbraw/zinc/56/08/34/556560834.db2.gz AFTFJSORZPBFNK-UHFFFAOYSA-N -1 3 440.916 3.508 50 0 IHAAHM Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(F)c([N-]S(C)(=O)=O)c3)c12 ZINC000032909878 556577731 /nfs/dbraw/zinc/57/77/31/556577731.db2.gz KYWRTXBGVBCIFL-UHFFFAOYSA-N -1 3 430.417 3.554 50 0 IHAAHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)N2CCc3ccccc3C2)c1[O-] ZINC000032975406 556600174 /nfs/dbraw/zinc/60/01/74/556600174.db2.gz FGFSEQJDVLXRHW-UHFFFAOYSA-N -1 3 426.472 3.695 50 0 IHAAHM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(N2CCC(Cc3ccccc3)CC2)n1 ZINC000039383751 556628514 /nfs/dbraw/zinc/62/85/14/556628514.db2.gz FLJIDMYCUJCDKZ-UHFFFAOYSA-N -1 3 430.556 3.595 50 0 IHAAHM CC(C)c1ccccc1NC(=O)[C@@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719651 556644755 /nfs/dbraw/zinc/64/47/55/556644755.db2.gz QOVODGZVULDNIG-MRXNPFEDSA-N -1 3 435.615 3.641 50 0 IHAAHM O=C([O-])c1cc(N2CCC([NH+]3CCCCC3)CC2)ccc1[N-]S(=O)(=O)c1ccccc1 ZINC000033007173 556655951 /nfs/dbraw/zinc/65/59/51/556655951.db2.gz WOMXIMDXYMBFIE-UHFFFAOYSA-N -1 3 443.569 3.640 50 0 IHAAHM O=C(Nc1ccccc1)[C@@H]([N-]S(=O)(=O)c1ccc2c(c1)OCCCO2)c1ccccc1 ZINC000032932930 556676140 /nfs/dbraw/zinc/67/61/40/556676140.db2.gz NHEFAQAXGWTZBR-QFIPXVFZSA-N -1 3 438.505 3.506 50 0 IHAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1 ZINC000137799619 556698389 /nfs/dbraw/zinc/69/83/89/556698389.db2.gz ARZHICNHPZMVIN-YTFSRNRJSA-N -1 3 430.460 3.755 50 0 IHAAHM CCCCCN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000058004185 556752322 /nfs/dbraw/zinc/75/23/22/556752322.db2.gz LLWUQGDYYIEZSN-UHFFFAOYSA-N -1 3 428.551 3.578 50 0 IHAAHM Cc1[nH]c2c(cc(C)cc2C[N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1C ZINC000058173788 556768909 /nfs/dbraw/zinc/76/89/09/556768909.db2.gz QTFLVUVGWFWDOT-UHFFFAOYSA-N -1 3 440.974 3.629 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)COCC(F)(F)F)c2)cc1 ZINC000058291616 556777831 /nfs/dbraw/zinc/77/78/31/556777831.db2.gz HLRHWYGDBMBWSH-HNNXBMFYSA-N -1 3 444.475 3.801 50 0 IHAAHM CCc1cc(Sc2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)n2ncnc2n1 ZINC000033122333 556863291 /nfs/dbraw/zinc/86/32/91/556863291.db2.gz VBAPQSSZLQZPRU-UHFFFAOYSA-N -1 3 441.538 3.647 50 0 IHAAHM Cc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1NC(=O)c1ccco1 ZINC000033122734 556863709 /nfs/dbraw/zinc/86/37/09/556863709.db2.gz JEDVYNQGVYKUKD-UHFFFAOYSA-N -1 3 438.465 3.929 50 0 IHAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)c4ccc(F)cc4)ccc3n2)CC1 ZINC000033260634 556897466 /nfs/dbraw/zinc/89/74/66/556897466.db2.gz CVGVJEIDLMYIAF-UHFFFAOYSA-N -1 3 436.487 3.856 50 0 IHAAHM Cc1c([O-])ccc2c(COC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc(=O)oc12 ZINC000010788059 557026890 /nfs/dbraw/zinc/02/68/90/557026890.db2.gz MASOGUSXXMBLIG-LJQANCHMSA-N -1 3 449.459 3.561 50 0 IHAAHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCCc3ccccc3)[n-]c(=O)c21 ZINC000046074336 557030635 /nfs/dbraw/zinc/03/06/35/557030635.db2.gz DUMUTIAOMNCLGB-QGZVFWFLSA-N -1 3 448.548 3.732 50 0 IHAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccc(C)cc2)CC(=O)N3)cc1 ZINC000046074920 557031475 /nfs/dbraw/zinc/03/14/75/557031475.db2.gz JGLLTYHFHWCYOK-QGZVFWFLSA-N -1 3 434.521 3.744 50 0 IHAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c(C)c1 ZINC000046075488 557032037 /nfs/dbraw/zinc/03/20/37/557032037.db2.gz QPLCGGFQDLWRJV-QGZVFWFLSA-N -1 3 448.548 3.786 50 0 IHAAHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)c1 ZINC000046075356 557032111 /nfs/dbraw/zinc/03/21/11/557032111.db2.gz YPDJFIQYPLXXIZ-MRXNPFEDSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccc(F)cc4)[n-]c(=O)c32)cc1 ZINC000046075361 557032156 /nfs/dbraw/zinc/03/21/56/557032156.db2.gz ZQCOULGJJJXTOP-MRXNPFEDSA-N -1 3 438.484 3.574 50 0 IHAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049609490 557115204 /nfs/dbraw/zinc/11/52/04/557115204.db2.gz OOAVDXCPTODBBK-SFHVURJKSA-N -1 3 426.480 3.511 50 0 IHAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)[C@H]1CCCN(C(=O)c2cccc3ccccc32)C1 ZINC000049609490 557115207 /nfs/dbraw/zinc/11/52/07/557115207.db2.gz OOAVDXCPTODBBK-SFHVURJKSA-N -1 3 426.480 3.511 50 0 IHAAHM CCCN(Cc1ccccc1)C(=O)c1cc(C(C)C)nc2c1c(=O)[n-]c(=O)n2CC(C)C ZINC000024443434 557147004 /nfs/dbraw/zinc/14/70/04/557147004.db2.gz KQUPWNBPWMHXSK-UHFFFAOYSA-N -1 3 436.556 3.917 50 0 IHAAHM CCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(O)cc2)cc1 ZINC000102706602 557366480 /nfs/dbraw/zinc/36/64/80/557366480.db2.gz RIWJAXKQAMZFDW-RJGXRXQPSA-N -1 3 430.460 3.842 50 0 IHAAHM CCn1c(CC(=O)Nc2ccc(C)c(C)c2)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000013858110 557391466 /nfs/dbraw/zinc/39/14/66/557391466.db2.gz YJSBDGKMSOOGEY-UHFFFAOYSA-N -1 3 439.541 3.532 50 0 IHAAHM COc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4cc(C)c(OC)cc4C)cc3)cn2n1 ZINC000011693580 557391976 /nfs/dbraw/zinc/39/19/76/557391976.db2.gz LPVZPOYJQQLXAV-UHFFFAOYSA-N -1 3 438.509 3.831 50 0 IHAAHM O=C(NCc1ccccn1)c1cc(S(=O)(=O)[N-]C2CCCC2)c(Cl)cc1Cl ZINC000016607441 557443342 /nfs/dbraw/zinc/44/33/42/557443342.db2.gz GCLAEMLLYHTLDU-UHFFFAOYSA-N -1 3 428.341 3.539 50 0 IHAAHM COc1ccc(Cl)cc1NC(=O)CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1 ZINC000051316720 557465123 /nfs/dbraw/zinc/46/51/23/557465123.db2.gz GNFMAADRXJNODK-UHFFFAOYSA-N -1 3 441.900 3.502 50 0 IHAAHM COc1ccc(Cl)cc1NC(=O)CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1 ZINC000051316720 557465127 /nfs/dbraw/zinc/46/51/27/557465127.db2.gz GNFMAADRXJNODK-UHFFFAOYSA-N -1 3 441.900 3.502 50 0 IHAAHM CCOc1ccccc1C(=O)[N-]N1C(=O)c2ccccc2N[C@H]1c1ccc2c(c1)OCCO2 ZINC000000998097 568649395 /nfs/dbraw/zinc/64/93/95/568649395.db2.gz GUYXBPUFEAKJRM-HSZRJFAPSA-N -1 3 445.475 3.768 50 0 IHAAHM O=S(=O)([N-]CCc1csc2nc(-c3cccs3)nn12)c1ccc(Cl)s1 ZINC000015783864 568826582 /nfs/dbraw/zinc/82/65/82/568826582.db2.gz OPVKEYUSZIKGOV-UHFFFAOYSA-N -1 3 430.989 3.755 50 0 IHAAHM Cc1c(CC[N-]S(=O)(=O)c2ccccc2F)sc2nc(-c3ccc(F)cc3)nn12 ZINC000015823605 568840228 /nfs/dbraw/zinc/84/02/28/568840228.db2.gz WEFLXBCHQQHVCF-UHFFFAOYSA-N -1 3 434.493 3.565 50 0 IHAAHM Cc1cc(C)n([C@H](C[N-]S(=O)(=O)c2ccc(Br)s2)c2ccsc2)n1 ZINC000575612930 568879660 /nfs/dbraw/zinc/87/96/60/568879660.db2.gz DNXAPXZZOJNMSY-CYBMUJFWSA-N -1 3 446.417 3.953 50 0 IHAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cc1)N1CCCCC1 ZINC000016475622 568908826 /nfs/dbraw/zinc/90/88/26/568908826.db2.gz XAMLNUHLIXBMLF-UHFFFAOYSA-N -1 3 442.459 3.898 50 0 IHAAHM COc1ccccc1C(=O)N1CCc2nc(Cc3cccc(C(F)(F)F)c3)[n-]c(=O)c2C1 ZINC000035829311 568927810 /nfs/dbraw/zinc/92/78/10/568927810.db2.gz NPCZIFLTPLZPBS-UHFFFAOYSA-N -1 3 443.425 3.587 50 0 IHAAHM CCN1CCN(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2C(=O)[O-])CC1 ZINC000064580597 568934525 /nfs/dbraw/zinc/93/45/25/568934525.db2.gz XDIDDBNTZSXLBG-UHFFFAOYSA-N -1 3 445.585 3.625 50 0 IHAAHM O=C([O-])c1cc([N-]S(=O)(=O)c2ccccc2)ccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000064580605 568934583 /nfs/dbraw/zinc/93/45/83/568934583.db2.gz XIJUEBHBYVHTAK-UHFFFAOYSA-N -1 3 443.569 3.640 50 0 IHAAHM O=C([N-]c1ccccc1F)c1nnc([C@H]2CCCN2S(=O)(=O)Cc2ccccc2)s1 ZINC000064941752 568991256 /nfs/dbraw/zinc/99/12/56/568991256.db2.gz JXNFKDCFLVCMMU-QGZVFWFLSA-N -1 3 446.529 3.596 50 0 IHAAHM CCCNC(=O)c1ccc(Oc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2)nc1 ZINC000065063348 569097952 /nfs/dbraw/zinc/09/79/52/569097952.db2.gz GQEMWBVEKJHZFB-UHFFFAOYSA-N -1 3 429.473 3.954 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3ncccc3C(=O)NC3CC3)cc2)cc1 ZINC000065074479 569098878 /nfs/dbraw/zinc/09/88/78/569098878.db2.gz UMTHGTFMOSVMSH-UHFFFAOYSA-N -1 3 439.493 3.576 50 0 IHAAHM COc1ccc([C@@H]2CC(c3cc(Cl)ccc3[O-])=NC3(CCN(C(C)=O)CC3)N2)cc1 ZINC000065298555 569131977 /nfs/dbraw/zinc/13/19/77/569131977.db2.gz GFXIDRDVABZARN-FQEVSTJZSA-N -1 3 427.932 3.917 50 0 biogenic IHAAHM COc1cccc2c(=O)c(C)c(C(=O)N[C@H](C)Cc3ccccc3Br)[n-]c12 ZINC000170610343 569144854 /nfs/dbraw/zinc/14/48/54/569144854.db2.gz FWQVSKWPBDGDOD-GFCCVEGCSA-N -1 3 429.314 3.969 50 0 IHAAHM CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(=O)c2cc(Br)ccc2[n-]1 ZINC000170626250 569148591 /nfs/dbraw/zinc/14/85/91/569148591.db2.gz AMXLFTYUSJRMQP-UHFFFAOYSA-N -1 3 429.270 3.682 50 0 IHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)ccc21 ZINC000016837528 569162641 /nfs/dbraw/zinc/16/26/41/569162641.db2.gz LLHXNSHFDUIDMI-UHFFFAOYSA-N -1 3 436.599 3.905 50 0 IHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)NC3CCCCC3)cc2)cc1 ZINC000002871754 569177469 /nfs/dbraw/zinc/17/74/69/569177469.db2.gz AMHJAGLVTUMATL-UHFFFAOYSA-N -1 3 432.542 3.714 50 0 IHAAHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)COc1c(Br)cccc1Br ZINC000252475097 569185656 /nfs/dbraw/zinc/18/56/56/569185656.db2.gz SOUHREYBVACSKN-SNVBAGLBSA-N -1 3 443.139 3.819 50 0 IHAAHM COc1c(OCCCCN2CCN(C)CC2)cc(=O)c2c([O-])cc(-c3ccccc3)oc1-2 ZINC000142658731 569254898 /nfs/dbraw/zinc/25/48/98/569254898.db2.gz ICGYSEWPMDWBIL-UHFFFAOYSA-N -1 3 438.524 3.581 50 0 IHAAHM COc1cc(C(=O)[N-]n2c(=O)c3ccccc3nc2-c2ccc(F)cc2)cc(OC)c1OC ZINC000027528049 569263468 /nfs/dbraw/zinc/26/34/68/569263468.db2.gz RXWLQSFSLFWNJV-UHFFFAOYSA-N -1 3 449.438 3.612 50 0 IHAAHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]C[C@](O)(c1ccsc1)c1ccco1 ZINC000253472790 569282802 /nfs/dbraw/zinc/28/28/02/569282802.db2.gz PJTLHNLBTJDPJC-KRWDZBQOSA-N -1 3 431.457 3.715 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCCOc2cc(C)cc(C)c2)S1 ZINC000020896163 569375074 /nfs/dbraw/zinc/37/50/74/569375074.db2.gz RSKCQEHDXXOCEG-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CC[C@H](C)[C@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000096274228 569388180 /nfs/dbraw/zinc/38/81/80/569388180.db2.gz UTSVNQJAYZEPGR-YJBOKZPZSA-N -1 3 444.582 3.678 50 0 IHAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1cc(F)ccc1F)C3 ZINC000096326914 569396331 /nfs/dbraw/zinc/39/63/31/569396331.db2.gz ABZMHKLLNOUDJA-UHFFFAOYSA-N -1 3 433.842 3.877 50 0 IHAAHM Cc1cc(F)ccc1NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000096399488 569400034 /nfs/dbraw/zinc/40/00/34/569400034.db2.gz KKCMAMXAYHFJOA-UHFFFAOYSA-N -1 3 425.532 3.846 50 0 IHAAHM O=C(CSc1nc2[n-]ncc2c(=O)n1-c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000003014234 569435492 /nfs/dbraw/zinc/43/54/92/569435492.db2.gz CTCXCXWBNMHYEZ-UHFFFAOYSA-N -1 3 445.426 3.858 50 0 IHAAHM O=C(CSc1nc2n[n-]cc2c(=O)n1-c1ccccc1)Nc1ccc(C(F)(F)F)cc1 ZINC000003014234 569435493 /nfs/dbraw/zinc/43/54/93/569435493.db2.gz CTCXCXWBNMHYEZ-UHFFFAOYSA-N -1 3 445.426 3.858 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3cccc(F)c3)cc2)cc1 ZINC000003307017 569445230 /nfs/dbraw/zinc/44/52/30/569445230.db2.gz GXMUBZISKFGUFS-UHFFFAOYSA-N -1 3 430.457 3.653 50 0 IHAAHM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(CCOc4ccc(Cl)cc4)CC3)c2c1 ZINC000032093236 569459732 /nfs/dbraw/zinc/45/97/32/569459732.db2.gz UGRIRRHXHGXIQW-JOCHJYFZSA-N -1 3 427.932 3.952 50 0 IHAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2nc3ccc(OCC)cc3s2)n1 ZINC000008868499 569480372 /nfs/dbraw/zinc/48/03/72/569480372.db2.gz VBJSXRHAACJTKS-UHFFFAOYSA-N -1 3 440.934 3.574 50 0 IHAAHM O=C(NCc1ccc(Cl)cc1)[C@H]([N-]S(=O)(=O)c1ccc(F)cc1)c1ccccc1 ZINC000040149832 569492671 /nfs/dbraw/zinc/49/26/71/569492671.db2.gz GQGQQWYRTQYQDH-HXUWFJFHSA-N -1 3 432.904 3.815 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 ZINC000008977273 569492915 /nfs/dbraw/zinc/49/29/15/569492915.db2.gz SKODPHYKZHYGRV-UHFFFAOYSA-N -1 3 428.535 3.756 50 0 IHAAHM CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)[N-][C@@H]3CCCC[C@H]3C)cc21 ZINC000040450317 569506290 /nfs/dbraw/zinc/50/62/90/569506290.db2.gz KXKYUQBDPZRHGN-IUODEOHRSA-N -1 3 429.380 3.605 50 0 IHAAHM C[C@H](Sc1nnc(-c2cc(Br)ccc2[O-])n1C)C(=O)Nc1nccs1 ZINC000009096085 569501394 /nfs/dbraw/zinc/50/13/94/569501394.db2.gz DKVJIBKSMCPSGN-QMMMGPOBSA-N -1 3 440.348 3.526 50 0 IHAAHM CC(=O)CCC(=O)Nc1cccc(S(=O)(=O)[N-]c2cc(C)ccc2Br)c1 ZINC000009130241 569506004 /nfs/dbraw/zinc/50/60/04/569506004.db2.gz ALJFQRVTHHLLEO-UHFFFAOYSA-N -1 3 439.331 3.866 50 0 IHAAHM O=C(C1CC1)N1CCc2cc(Br)c(S(=O)(=O)[N-]C3CCCCCC3)cc21 ZINC000040450411 569506380 /nfs/dbraw/zinc/50/63/80/569506380.db2.gz PRWMQLWDZUDXPP-UHFFFAOYSA-N -1 3 441.391 3.749 50 0 IHAAHM CCN1c2cc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)ccc2OCC(C)(C)C1=O ZINC000009170828 569509293 /nfs/dbraw/zinc/50/92/93/569509293.db2.gz ZKTFIYPTVOTEHB-UHFFFAOYSA-N -1 3 438.933 3.921 50 0 IHAAHM CCOC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000009185136 569510050 /nfs/dbraw/zinc/51/00/50/569510050.db2.gz WIDOYZJXGXJVAM-WMZOPIPTSA-N -1 3 446.290 3.599 50 0 IHAAHM CC(=O)[C@@H]1C(=C([O-])c2ccccn2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N21 ZINC000009193189 569510849 /nfs/dbraw/zinc/51/08/49/569510849.db2.gz CTLOGBVHJCVBFC-KALPRAJFSA-N -1 3 449.510 3.952 50 0 IHAAHM C[C@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cccc(Cl)c1 ZINC000009377798 569527535 /nfs/dbraw/zinc/52/75/35/569527535.db2.gz ABKLYYYZQSFSLO-ZDUSSCGKSA-N -1 3 439.928 3.732 50 0 IHAAHM CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000009427876 569533425 /nfs/dbraw/zinc/53/34/25/569533425.db2.gz HPCMWJWMYLJWKK-OAHLLOKOSA-N -1 3 430.486 3.535 50 0 IHAAHM O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000009666776 569557786 /nfs/dbraw/zinc/55/77/86/569557786.db2.gz LHINBDVQWMNPPJ-SFHVURJKSA-N -1 3 434.945 3.538 50 0 IHAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 ZINC000009670091 569558246 /nfs/dbraw/zinc/55/82/46/569558246.db2.gz XWKPDDQRSZOHPN-UHFFFAOYSA-N -1 3 426.523 3.599 50 0 IHAAHM CSc1cccc(N2C[C@H](C(=O)OCc3cc(=O)oc4c(C)c([O-])ccc34)CC2=O)c1 ZINC000010264967 569580011 /nfs/dbraw/zinc/58/00/11/569580011.db2.gz WPXNKTZPTUVNKN-CQSZACIVSA-N -1 3 439.489 3.625 50 0 IHAAHM COC(=O)c1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2C)[C@@H]3c2ccc(C)o2)cc1 ZINC000010434412 569582128 /nfs/dbraw/zinc/58/21/28/569582128.db2.gz OCZMTJMEJFNJHE-YPAWHYETSA-N -1 3 446.459 3.734 50 0 IHAAHM CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(C)(C)C(=O)N4C)cc2)CC1 ZINC000006887837 132280024 /nfs/dbraw/zinc/28/00/24/132280024.db2.gz MMPUCUASGRHCAP-UHFFFAOYSA-N -1 3 427.570 3.978 50 0 IHAAHM CCCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(C)c(C)cc3C)ccc21 ZINC000017286941 520526251 /nfs/dbraw/zinc/52/62/51/520526251.db2.gz JCMDRKQSTGRLRE-UHFFFAOYSA-N -1 3 436.599 3.905 50 0 IHAAHM CCS(=O)(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc21 ZINC000012180477 521664724 /nfs/dbraw/zinc/66/47/24/521664724.db2.gz XLRCMJVVDJXOGX-UHFFFAOYSA-N -1 3 436.599 3.887 50 0 IHAAHM COc1cc([C@@H]2SC([N-]C(C)=O)=NN2C(C)=O)ccc1OC(=O)c1ccc(Cl)cc1 ZINC000020895552 522932344 /nfs/dbraw/zinc/93/23/44/522932344.db2.gz ALRGFKZVXNYJSK-SFHVURJKSA-N -1 3 447.900 3.569 50 0 IHAAHM COc1ccc(-c2cc([N-]S(=O)(=O)c3ccc(CNC(C)=O)cc3)ccc2OC)cc1 ZINC000012548555 523113331 /nfs/dbraw/zinc/11/33/31/523113331.db2.gz FIRLKJVNVHQADY-UHFFFAOYSA-N -1 3 440.521 3.808 50 0 IHAAHM COc1ccc(OCc2ccccc2Cl)c([C@H]2SC([N-]C(C)=O)=NN2C(C)=O)c1 ZINC000020896411 524975815 /nfs/dbraw/zinc/97/58/15/524975815.db2.gz BSWXGXZAZWBYMH-LJQANCHMSA-N -1 3 433.917 3.929 50 0 IHAAHM Cc1cc(Br)ccc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000020604249 526172650 /nfs/dbraw/zinc/17/26/50/526172650.db2.gz WEQNGVOCHIYJFL-OAHLLOKOSA-N -1 3 431.377 3.761 50 0 IHAAHM C[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(C(C)(C)C)cc2)nc2cc(=O)[n-]n21 ZINC000021537314 526242677 /nfs/dbraw/zinc/24/26/77/526242677.db2.gz GLUPNIJTVXLEID-HNNXBMFYSA-N -1 3 439.585 3.875 50 0 IHAAHM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1)c1ccc(F)cc1 ZINC000012180416 527249431 /nfs/dbraw/zinc/24/94/31/527249431.db2.gz QBKXSOYVEWCMCJ-UHFFFAOYSA-N -1 3 446.525 3.768 50 0 IHAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc21 ZINC000012769421 527416594 /nfs/dbraw/zinc/41/65/94/527416594.db2.gz YUJFPJSFALOGEV-IBGZPJMESA-N -1 3 444.516 3.593 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 ZINC000001041931 555609999 /nfs/dbraw/zinc/60/99/99/555609999.db2.gz IYVXATCNUYFLKC-UHFFFAOYSA-N -1 3 430.551 3.929 50 0 IHAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C)cc(Br)c1[O-] ZINC000001110250 555631061 /nfs/dbraw/zinc/63/10/61/555631061.db2.gz CDHGSBFWOGVDBV-QGZVFWFLSA-N -1 3 446.301 3.738 50 0 IHAAHM COCc1cc([C@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241195 556081837 /nfs/dbraw/zinc/08/18/37/556081837.db2.gz RRMSPNKGBOSWLD-DNVCBOLYSA-N -1 3 447.557 3.649 50 0 IHAAHM COCc1cc([C@@H]2SCC(=O)Nc3c2c(=O)[n-]n3[C@H]2CCOC(C)(C)C2)ccc1OC ZINC000006241199 556081955 /nfs/dbraw/zinc/08/19/55/556081955.db2.gz RRMSPNKGBOSWLD-KXBFYZLASA-N -1 3 447.557 3.649 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 ZINC000032768563 556333201 /nfs/dbraw/zinc/33/32/01/556333201.db2.gz ZVPBXZWXPOKJTB-GOEBONIOSA-N -1 3 427.526 3.503 50 0 IHAAHM COc1ccc([C@]2(C)NC(=O)N([N-]C(=O)c3cccc(Oc4ccccc4)c3)C2=O)cc1 ZINC000014108505 556368820 /nfs/dbraw/zinc/36/88/20/556368820.db2.gz RESDSOYAASDFIP-DEOSSOPVSA-N -1 3 431.448 3.600 50 0 IHAAHM COc1cccc([C@@]2(C)NC(=O)N([N-]C(=O)c3cccc(Oc4ccccc4)c3)C2=O)c1 ZINC000014135671 556375199 /nfs/dbraw/zinc/37/51/99/556375199.db2.gz XZRKTLOOESUSLV-XMMPIXPASA-N -1 3 431.448 3.600 50 0 IHAAHM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N(C)Cc1nc2ccsc2c(=O)[n-]1 ZINC000030563281 556498051 /nfs/dbraw/zinc/49/80/51/556498051.db2.gz KVCDZHRAWJOKRN-UHFFFAOYSA-N -1 3 428.514 3.752 50 0 IHAAHM Cc1ccc(Cc2nn3c(nnc3SCC(=O)Nc3ccc(Cl)cc3)[n-]c2=O)cc1 ZINC000015882065 556561267 /nfs/dbraw/zinc/56/12/67/556561267.db2.gz SDWKAGFGMLYXCB-UHFFFAOYSA-N -1 3 440.916 3.508 50 0 IHAAHM CCc1ccc([C@@H](C)NC(=O)CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1 ZINC000032910435 556575619 /nfs/dbraw/zinc/57/56/19/556575619.db2.gz YLWDNPXGXVXZRB-OAHLLOKOSA-N -1 3 433.537 3.641 50 0 IHAAHM CC(C)c1ccccc1NC(=O)[C@H](C)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011719659 556644676 /nfs/dbraw/zinc/64/46/76/556644676.db2.gz QOVODGZVULDNIG-INIZCTEOSA-N -1 3 435.615 3.641 50 0 IHAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 ZINC000033024272 556694930 /nfs/dbraw/zinc/69/49/30/556694930.db2.gz OAIHWQJEJUXWOW-LJQANCHMSA-N -1 3 445.516 3.561 50 0 IHAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc21 ZINC000033129711 556868930 /nfs/dbraw/zinc/86/89/30/556868930.db2.gz LAZWBSVBOMAQGS-UHFFFAOYSA-N -1 3 447.988 3.861 50 0 IHAAHM O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccc(OC(F)(F)F)cc3)C2)o1)c1cccs1 ZINC000033169905 556885292 /nfs/dbraw/zinc/88/52/92/556885292.db2.gz LUYQCFRGEJHLRN-SNVBAGLBSA-N -1 3 438.387 3.803 50 0 IHAAHM O=S(=O)([N-]CCc1csc(-c2cccnc2)n1)c1ccc(Br)s1 ZINC000019942475 556953668 /nfs/dbraw/zinc/95/36/68/556953668.db2.gz 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COc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000018208581 557251910 /nfs/dbraw/zinc/25/19/10/557251910.db2.gz VARQVJBNNLKMKN-ZLNRFVROSA-N -1 3 448.450 3.894 50 0 IHAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4OC)C([O-])=C3ON2c2ccccc2)cc1 ZINC000100536435 557264005 /nfs/dbraw/zinc/26/40/05/557264005.db2.gz ARZHICNHPZMVIN-ZRBLBEILSA-N -1 3 430.460 3.755 50 0 IHAAHM COc1cc(Cl)c(C)cc1N1C(=O)[C@@H]2C(c3ccc(Br)cc3)=NOC2=C1[O-] ZINC000101278442 557266389 /nfs/dbraw/zinc/26/63/89/557266389.db2.gz SECGSVQQLYOHTO-WBVHZDCISA-N -1 3 449.688 3.712 50 0 IHAAHM CCCCc1ccc(N2C(=O)C[C@@H](N3CCC(C(=O)Nc4ccccc4[O-])CC3)C2=O)cc1 ZINC000101490838 557288223 /nfs/dbraw/zinc/28/82/23/557288223.db2.gz AESDPFVTUWSBQP-JOCHJYFZSA-N -1 3 449.551 3.717 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2cc(CN3C(=O)[C@@H]4CCCC[C@@H]4C3=O)ccc2C)cc1 ZINC000101628680 557291658 /nfs/dbraw/zinc/29/16/58/557291658.db2.gz VSBGXJMFQQTQDH-BGYRXZFFSA-N -1 3 426.538 3.779 50 0 IHAAHM 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557465049 /nfs/dbraw/zinc/46/50/49/557465049.db2.gz AYBSQOLJENASCC-UHFFFAOYSA-N -1 3 441.900 3.502 50 0 IHAAHM Cc1ccc(C)c(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316767 557465512 /nfs/dbraw/zinc/46/55/12/557465512.db2.gz ZRCGIVFKPHGWOL-UHFFFAOYSA-N -1 3 441.463 3.735 50 0 IHAAHM Cc1ccc(C)c(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(F)c(F)c2)c1 ZINC000051316767 557465514 /nfs/dbraw/zinc/46/55/14/557465514.db2.gz ZRCGIVFKPHGWOL-UHFFFAOYSA-N -1 3 441.463 3.735 50 0 IHAAHM Cc1ccc(C)c(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000085737259 557492180 /nfs/dbraw/zinc/49/21/80/557492180.db2.gz XNMFNTFXEQWNRI-QGZVFWFLSA-N -1 3 448.548 3.786 50 0 IHAAHM CCc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000045900667 557547301 /nfs/dbraw/zinc/54/73/01/557547301.db2.gz KQUBNNJQXFLLAH-UHFFFAOYSA-N -1 3 427.501 3.818 50 0 IHAAHM COc1ccc2[nH]c(C)c(CC[N-]S(=O)(=O)c3cc(OC)c(Cl)cc3OC)c2c1 ZINC000001424300 568793573 /nfs/dbraw/zinc/79/35/73/568793573.db2.gz SOJJUXMOURVOBY-UHFFFAOYSA-N -1 3 438.933 3.677 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3n[nH]c(CNC(=O)OC(C)(C)C)n3)cc2)cc1 ZINC000084160405 568795470 /nfs/dbraw/zinc/79/54/70/568795470.db2.gz VBRKOFGSHITLBK-UHFFFAOYSA-N -1 3 443.529 3.606 50 0 IHAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3nnc(CNC(=O)OC(C)(C)C)[nH]3)cc2)cc1 ZINC000084160405 568795471 /nfs/dbraw/zinc/79/54/71/568795471.db2.gz VBRKOFGSHITLBK-UHFFFAOYSA-N -1 3 443.529 3.606 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@H](c2cc(C)ccc2OCCCOc2ccccc2)S1 ZINC000015833006 568842532 /nfs/dbraw/zinc/84/25/32/568842532.db2.gz GHGUOSNZOAJKLL-OAQYLSRUSA-N -1 3 427.526 3.844 50 0 IHAAHM CCN(c1ccccc1)S(=O)(=O)c1ccc2ncc(C(=O)NCCC(C)C)c([O-])c2c1 ZINC000006296475 568882371 /nfs/dbraw/zinc/88/23/71/568882371.db2.gz FHAJWMFCYJOCJH-UHFFFAOYSA-N -1 3 441.553 3.519 50 0 IHAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1c2ccccc2nc1-c1ccncc1 ZINC000064888117 568979292 /nfs/dbraw/zinc/97/92/92/568979292.db2.gz OFPBLEXPYDDZCO-UHFFFAOYSA-N -1 3 442.928 3.739 50 0 IHAAHM Cc1ccccc1S(=O)(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccccc2F)s1 ZINC000064941737 568991248 /nfs/dbraw/zinc/99/12/48/568991248.db2.gz MAJSTWUTAOUYRO-INIZCTEOSA-N -1 3 446.529 3.764 50 0 IHAAHM COC(=O)c1cc(C)nc2nc(SCC(=O)c3cc(C)c(C)c(C)c3C)[n-]c(=O)c12 ZINC000065585048 569139929 /nfs/dbraw/zinc/13/99/29/569139929.db2.gz VGRGTEBVBFTFTN-UHFFFAOYSA-N -1 3 425.510 3.622 50 0 IHAAHM O=S(=O)([N-][C@@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000170619794 569147518 /nfs/dbraw/zinc/14/75/18/569147518.db2.gz FBKPOHDSMVRQSD-AWEZNQCLSA-N -1 3 430.839 3.739 50 0 IHAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-][C@@H](c2c[nH]c3ccccc32)C(F)(F)F)cc1 ZINC000170620393 569147932 /nfs/dbraw/zinc/14/79/32/569147932.db2.gz NTMIBTAVLSRJBS-IBGZPJMESA-N -1 3 437.443 3.877 50 0 IHAAHM Cc1ccc(C)c(CSc2nnc(Cc3cc(=O)[n-]c(=O)[nH]3)n2-c2cc(C)ccc2C)c1 ZINC000017026172 569170978 /nfs/dbraw/zinc/17/09/78/569170978.db2.gz SONUJXYBDVZLJG-UHFFFAOYSA-N -1 3 447.564 3.761 50 0 IHAAHM CSc1nc(=S)c2sc3nc(N4CCOCC4)c4c(c3c2[n-]1)CC(C)(C)OC4 ZINC000002870561 569177482 /nfs/dbraw/zinc/17/74/82/569177482.db2.gz VQUCEMABVAKWBR-UHFFFAOYSA-N -1 3 434.612 3.938 50 0 IHAAHM CN1OC[C@@H](S(=O)(=O)[N-]Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000037553398 569200362 /nfs/dbraw/zinc/20/03/62/569200362.db2.gz QNXHNVLMCWGPBQ-RPWUZVMVSA-N -1 3 438.549 3.672 50 0 IHAAHM O=C([N-]CC(F)(F)F)[C@H]1CCCN1C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl ZINC000095349499 569361791 /nfs/dbraw/zinc/36/17/91/569361791.db2.gz RCIPWOTTXKUHIE-RXMQYKEDSA-N -1 3 439.048 3.978 50 0 IHAAHM O=S(=O)([N-]c1cncc(Br)c1Br)c1cc(F)ccc1F ZINC000095457221 569368921 /nfs/dbraw/zinc/36/89/21/569368921.db2.gz QOQCTNMIZGPELA-UHFFFAOYSA-N -1 3 428.052 3.686 50 0 IHAAHM COC(=O)c1sc2[n-]c(CSc3nnc(Nc4ccccc4)s3)nc(=O)c2c1C ZINC000002644265 569414068 /nfs/dbraw/zinc/41/40/68/569414068.db2.gz DFTSVAGYJIRJKV-UHFFFAOYSA-N -1 3 445.551 3.967 50 0 IHAAHM O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000003031060 569437625 /nfs/dbraw/zinc/43/76/25/569437625.db2.gz DZZZODRUYJDIPA-UHFFFAOYSA-N -1 3 438.402 3.974 50 0 IHAAHM CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2ccc([O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000003312977 569445615 /nfs/dbraw/zinc/44/56/15/569445615.db2.gz IYEIKIUPQJNBJY-CHWSQXEVSA-N -1 3 431.510 3.939 50 0 IHAAHM CC(=O)[C@@H]1C(=C([O-])c2cccnc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21 ZINC000008964542 569491294 /nfs/dbraw/zinc/49/12/94/569491294.db2.gz CCMDLTKZCCBGQJ-ZOJNDGCKSA-N -1 3 435.483 3.644 50 0 biogenic IHAAHM Cc1nn(-c2nc(C)cc(C)n2)c(N)c1[C@@]([O-])(c1nc2ccccc2s1)C(F)(F)F ZINC000008986675 569494845 /nfs/dbraw/zinc/49/48/45/569494845.db2.gz QJVPUVGMDVEWOJ-GOSISDBHSA-N -1 3 434.447 3.578 50 0 IHAAHM COc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)c1ccco1 ZINC000009060591 569499508 /nfs/dbraw/zinc/49/95/08/569499508.db2.gz QCNYTURJSKHHGX-LJQANCHMSA-N -1 3 439.493 3.651 50 0 IHAAHM O=S(=O)(c1ccc([O-])c(Nc2ncnc3sc4c(c32)CCCC4)c1)N1CCCC1 ZINC000009120593 569503921 /nfs/dbraw/zinc/50/39/21/569503921.db2.gz KOYJVTNAAWFCFB-UHFFFAOYSA-N -1 3 430.555 3.804 50 0 IHAAHM COc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCCO)c1 ZINC000009124455 569504361 /nfs/dbraw/zinc/50/43/61/569504361.db2.gz YPCRVRKMXATAPT-OAQYLSRUSA-N -1 3 427.888 3.680 50 0 IHAAHM COc1cc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)ccc1OCc1ccc(Cl)cc1 ZINC000009129908 569505907 /nfs/dbraw/zinc/50/59/07/569505907.db2.gz DTRQURRXEMXZLL-MRXNPFEDSA-N -1 3 425.872 3.793 50 0 IHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CN3C(=O)c4cccnc4C3=O)cc2)c(C)c1 ZINC000009153189 569507992 /nfs/dbraw/zinc/50/79/92/569507992.db2.gz ZFGPUPQRSAOQIR-UHFFFAOYSA-N -1 3 435.505 3.604 50 0 IHAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3CC)cc1C ZINC000009166423 569508871 /nfs/dbraw/zinc/50/88/71/569508871.db2.gz KAKNNKLRUGDGHZ-UHFFFAOYSA-N -1 3 432.542 3.966 50 0 IHAAHM CCN1c2ccc([N-]S(=O)(=O)c3cc(C)c(OC)c(C)c3)cc2OCC(C)(C)C1=O ZINC000009166434 569508955 /nfs/dbraw/zinc/50/89/55/569508955.db2.gz XVXJWVSUYSRVAN-UHFFFAOYSA-N -1 3 432.542 3.884 50 0 IHAAHM CCCN1c2cc([N-]S(=O)(=O)c3ccc(OC)cc3C)ccc2OCC(C)(C)C1=O ZINC000009172160 569509505 /nfs/dbraw/zinc/50/95/05/569509505.db2.gz SIRKSEUAWPXWCK-UHFFFAOYSA-N -1 3 432.542 3.966 50 0 IHAAHM CS(=O)(=O)[N-]c1ccccc1C1=NN(C(=O)c2ccccc2F)[C@H](c2ccco2)C1 ZINC000009260395 569516936 /nfs/dbraw/zinc/51/69/36/569516936.db2.gz DVRBVEQFVSRHQR-IBGZPJMESA-N -1 3 427.457 3.782 50 0 IHAAHM CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c1csc2[N-]C(=O)c1ccco1 ZINC000009518552 569544134 /nfs/dbraw/zinc/54/41/34/569544134.db2.gz DGRGLASTURRKGE-UHFFFAOYSA-N -1 3 427.413 3.608 50 0 IHAAHM Cc1csc(NC(=O)CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)n1 ZINC000009521333 569544435 /nfs/dbraw/zinc/54/44/35/569544435.db2.gz VDVZCLIRZPNINY-UHFFFAOYSA-N -1 3 432.918 3.670 50 0 IHAAHM COc1ccccc1NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521257 569544441 /nfs/dbraw/zinc/54/44/41/569544441.db2.gz VEIALHLCDMXTBV-UHFFFAOYSA-N -1 3 441.900 3.914 50 0 IHAAHM O=C(N[C@H]1CCCc2ccccc21)[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1 ZINC000009597749 569550923 /nfs/dbraw/zinc/55/09/23/569550923.db2.gz VUIDOEDHKMLRHR-FPOVZHCZSA-N -1 3 426.563 3.962 50 0 IHAAHM COc1ccc(Br)cc1C(=O)[N-]C(=O)c1cc(Br)ccc1OC ZINC000009934681 569573758 /nfs/dbraw/zinc/57/37/58/569573758.db2.gz BJLAOLWDOIZGDO-UHFFFAOYSA-N -1 3 443.091 3.799 50 0 IHAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2O1 ZINC000009305909 132313128 /nfs/dbraw/zinc/31/31/28/132313128.db2.gz VXUOLRRKTMAFSJ-UHFFFAOYSA-N -1 3 444.915 3.517 50 0 IHAAHM CC(C)n1ncc2c1nc(-c1ccc3c(c1)OCCO3)cc2C(=O)Nc1ncccc1[O-] ZINC000012638085 520080351 /nfs/dbraw/zinc/08/03/51/520080351.db2.gz KXTMLPDGMGYXCU-UHFFFAOYSA-N -1 3 431.452 3.803 50 0 IHAAHM CCOC(=O)N1CCN(Cc2nc(=O)c3c([n-]2)sc(C)c3-c2ccc(C)cc2)CC1 ZINC000012813480 520955038 /nfs/dbraw/zinc/95/50/38/520955038.db2.gz ZBPGQOBAMOIBNE-UHFFFAOYSA-N -1 3 426.542 3.543 50 0 IHAAHM CCCN(CC1CC1)C(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000012821054 521619369 /nfs/dbraw/zinc/61/93/69/521619369.db2.gz QKEPHRPKYGLHDA-UHFFFAOYSA-N -1 3 431.949 3.915 50 0 IHAAHM COCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)cc21 ZINC000021756755 522741633 /nfs/dbraw/zinc/74/16/33/522741633.db2.gz FRIHQEBNHKUBAC-UHFFFAOYSA-N -1 3 430.570 3.955 50 0 IHAAHM C[C@@H](NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccccc1F)c1ccc(F)cc1 ZINC000022621470 525287640 /nfs/dbraw/zinc/28/76/40/525287640.db2.gz QIWVAKXXLGRKRW-IERDGZPVSA-N -1 3 444.503 3.732 50 0 IHAAHM Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3c2nc[n-]c3=O)cc1 ZINC000012462122 525899773 /nfs/dbraw/zinc/89/97/73/525899773.db2.gz NPGUTJIIJKEPJT-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 biogenic,in-vitro IHAAHM O=S(=O)([N-]CC1(N2CCOCC2)CCCCC1)c1ccc(Cl)cc1C(F)(F)F ZINC000022069678 527212108 /nfs/dbraw/zinc/21/21/08/527212108.db2.gz NSCVXRBBBLTANC-UHFFFAOYSA-N -1 3 440.915 3.672 50 0 IHAAHM O=C(Nc1ncccc1O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000022265247 527521197 /nfs/dbraw/zinc/52/11/97/527521197.db2.gz MEXVTRVTJGGIOI-UHFFFAOYSA-N -1 3 448.298 3.603 50 0 IHAAHM CCOC(=O)[C@]([N-]c1cccc(C(F)(F)F)c1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000002257382 555763133 /nfs/dbraw/zinc/76/31/33/555763133.db2.gz JISRWZNSSTYGFG-INIZCTEOSA-N -1 3 435.324 3.764 50 0 IHAAHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2)c1ccccc1 ZINC000008691520 556200538 /nfs/dbraw/zinc/20/05/38/556200538.db2.gz POFLBRDUUZVHIQ-CTNGQTDRSA-N -1 3 429.863 3.957 50 0 aggregator IHAAHM C[C@@H](NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1)c1cc2ccccc2o1 ZINC000032745187 556314802 /nfs/dbraw/zinc/31/48/02/556314802.db2.gz IXZSUQISAXIYHG-CQSZACIVSA-N -1 3 445.504 3.825 50 0 IHAAHM C[C@H](c1nc(=O)c2c(-c3cccs3)csc2[n-]1)N1CCN(C(=O)c2ccco2)CC1 ZINC000012979566 556423667 /nfs/dbraw/zinc/42/36/67/556423667.db2.gz RORKNKFLKDSHAT-CYBMUJFWSA-N -1 3 440.550 3.825 50 0 IHAAHM O=C([N-]n1cnc2scc(-c3cccs3)c2c1=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000032841537 556427095 /nfs/dbraw/zinc/42/70/95/556427095.db2.gz PRTANMQWJNKPIM-CQSZACIVSA-N -1 3 429.910 3.914 50 0 IHAAHM Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000013038400 556444126 /nfs/dbraw/zinc/44/41/26/556444126.db2.gz VRVRPZJTYVPJNC-UHFFFAOYSA-N -1 3 445.313 3.948 50 0 IHAAHM O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000013096659 556457279 /nfs/dbraw/zinc/45/72/79/556457279.db2.gz SMNZBKYWZPSQAL-CYBMUJFWSA-N -1 3 447.315 3.842 50 0 IHAAHM CCN(Cc1ccc(OC)c(F)c1)C(=O)c1sc2[n-]c(CSC)nc(=O)c2c1C ZINC000028973499 556465254 /nfs/dbraw/zinc/46/52/54/556465254.db2.gz ZVAUVMQPDVQICW-UHFFFAOYSA-N -1 3 435.546 3.966 50 0 IHAAHM O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)c1 ZINC000013138783 556485693 /nfs/dbraw/zinc/48/56/93/556485693.db2.gz NIACPDWVLRKFCV-OAHLLOKOSA-N -1 3 429.325 3.703 50 0 IHAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)[C@H]1CCCO1 ZINC000030531730 556497059 /nfs/dbraw/zinc/49/70/59/556497059.db2.gz IKLROIYOEYCBAP-MRXNPFEDSA-N -1 3 430.404 3.504 50 0 IHAAHM O=C(COc1ccccc1)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000013482500 556508220 /nfs/dbraw/zinc/50/82/20/556508220.db2.gz KUJOTDUAHRBTQI-OAHLLOKOSA-N -1 3 448.759 3.570 50 0 IHAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]Cc2ccc(Cn3cncn3)cc2)c1Cl ZINC000032885539 556510243 /nfs/dbraw/zinc/51/02/43/556510243.db2.gz UMRBOYBUBAIIBP-UHFFFAOYSA-N -1 3 425.341 3.729 50 0 IHAAHM O=C(CCc1nc(CSc2nnc(-c3ccco3)[n-]2)no1)Nc1cc(F)cc(F)c1 ZINC000033087467 556857483 /nfs/dbraw/zinc/85/74/83/556857483.db2.gz VAVSZIOIZAGLFV-UHFFFAOYSA-N -1 3 432.412 3.590 50 0 IHAAHM O=C(CCc1nc(CSc2nc(-c3ccco3)n[n-]2)no1)Nc1cc(F)cc(F)c1 ZINC000033087467 556857487 /nfs/dbraw/zinc/85/74/87/556857487.db2.gz VAVSZIOIZAGLFV-UHFFFAOYSA-N -1 3 432.412 3.590 50 0 IHAAHM O=C(CCc1nc(CSc2n[n-]c(-c3ccco3)n2)no1)Nc1cc(F)cc(F)c1 ZINC000033087467 556857490 /nfs/dbraw/zinc/85/74/90/556857490.db2.gz VAVSZIOIZAGLFV-UHFFFAOYSA-N -1 3 432.412 3.590 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\c3onc(C)c3NC(C)=O)cc2)cc1 ZINC000033170986 556881842 /nfs/dbraw/zinc/88/18/42/556881842.db2.gz MGVCUXFBNYHACV-MLPAPPSSSA-N -1 3 427.482 3.921 50 0 IHAAHM Cc1cc(C)cc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)c1 ZINC000046074349 557030691 /nfs/dbraw/zinc/03/06/91/557030691.db2.gz KDVKJYVNLACNCA-GOSISDBHSA-N -1 3 448.548 3.786 50 0 IHAAHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccccc3C)[n-]c(=O)c21 ZINC000046074716 557031203 /nfs/dbraw/zinc/03/12/03/557031203.db2.gz HDYIMMPTMXJNPL-QGZVFWFLSA-N -1 3 448.548 3.998 50 0 IHAAHM O=C(CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1)NCCc1ccccc1 ZINC000017178906 557038220 /nfs/dbraw/zinc/03/82/20/557038220.db2.gz WNAADKBPMXIUFY-UHFFFAOYSA-N -1 3 439.928 3.626 50 0 IHAAHM CCn1c(SCC(=O)c2ccc(OC)c([O-])c2OC)nnc1-c1ccccc1OC ZINC000072191453 557099789 /nfs/dbraw/zinc/09/97/89/557099789.db2.gz HKOPFLPUZXNTRV-UHFFFAOYSA-N -1 3 429.498 3.671 50 0 IHAAHM Cc1c(C(=O)NCc2ccccc2)sc2[n-]c(=O)n(-c3ccc(Cl)cc3)c(=O)c12 ZINC000004793110 557125570 /nfs/dbraw/zinc/12/55/70/557125570.db2.gz CTFVTZUPBWIKQD-UHFFFAOYSA-N -1 3 425.897 3.632 50 0 IHAAHM O=C(Nc1cccc2cccnc21)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000024500281 557148807 /nfs/dbraw/zinc/14/88/07/557148807.db2.gz KYCNPKSPAIJYGW-INIZCTEOSA-N -1 3 445.928 3.598 50 0 IHAAHM O=C(CCCc1nc2ccccc2s1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011450860 557149489 /nfs/dbraw/zinc/14/94/89/557149489.db2.gz AGTJDIMNUZUWMW-UHFFFAOYSA-N -1 3 449.623 3.650 50 0 IHAAHM Cc1nc2ccc(Cl)cc2cc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000011452196 557150478 /nfs/dbraw/zinc/15/04/78/557150478.db2.gz SJWFZBICPCFYHS-UHFFFAOYSA-N -1 3 449.985 3.841 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2cccc(C(=O)NC[C@@H](c3cccs3)N(C)C)c2)cc1 ZINC000025719977 557223226 /nfs/dbraw/zinc/22/32/26/557223226.db2.gz KQPBNJAGQZODGY-FQEVSTJZSA-N -1 3 443.594 3.890 50 0 IHAAHM CC(=O)Oc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000101190003 557262976 /nfs/dbraw/zinc/26/29/76/557262976.db2.gz UVAZWQPBCIEZCG-XPWALMASSA-N -1 3 446.434 3.802 50 0 IHAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102752939 557383429 /nfs/dbraw/zinc/38/34/29/557383429.db2.gz QBRWSSZSUDHTHM-DNVJHFABSA-N -1 3 448.450 3.981 50 0 IHAAHM CCOC(=O)C(=C([O-])CSc1nnc(C)n1-c1cccc(C)c1)c1nc(C)cs1 ZINC000103034679 557416007 /nfs/dbraw/zinc/41/60/07/557416007.db2.gz AWBPHRLZQAMEPQ-QGZVFWFLSA-N -1 3 430.555 3.657 50 0 IHAAHM CCOC(=O)C(=C([O-])CSc1nnc(C)n1-c1cccc(C)c1)c1nc(C)cs1 ZINC000103034682 557416056 /nfs/dbraw/zinc/41/60/56/557416056.db2.gz AWBPHRLZQAMEPQ-KRWDZBQOSA-N -1 3 430.555 3.657 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000051316432 557464270 /nfs/dbraw/zinc/46/42/70/557464270.db2.gz COFDWEGBIWKZQN-UHFFFAOYSA-N -1 3 449.536 3.801 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(CC)cc2)cc1 ZINC000051316432 557464272 /nfs/dbraw/zinc/46/42/72/557464272.db2.gz COFDWEGBIWKZQN-UHFFFAOYSA-N -1 3 449.536 3.801 50 0 IHAAHM CN1OC[C@H](S(=O)(=O)[N-]Cc2ccccc2)[C@@H]1c1ccc(OCc2ccccc2)cc1 ZINC000105025280 557473140 /nfs/dbraw/zinc/47/31/40/557473140.db2.gz QNXHNVLMCWGPBQ-ZEQRLZLVSA-N -1 3 438.549 3.672 50 0 IHAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1OC ZINC000226990369 557811620 /nfs/dbraw/zinc/81/16/20/557811620.db2.gz VARQVJBNNLKMKN-YTFSRNRJSA-N -1 3 448.450 3.894 50 0 IHAAHM O=S(=O)([N-]CCc1ccccc1F)c1cc(Br)ccc1Br ZINC000018940635 568627371 /nfs/dbraw/zinc/62/73/71/568627371.db2.gz JALBZPSIJKQIHR-UHFFFAOYSA-N -1 3 437.128 3.872 50 0 IHAAHM COc1cc(-c2nnc([N-]C(=O)c3ccc(Br)s3)o2)cc(OC)c1OC ZINC000015391374 568761547 /nfs/dbraw/zinc/76/15/47/568761547.db2.gz IMJPTHQOYBRKCR-UHFFFAOYSA-N -1 3 440.275 3.839 50 0 IHAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1c(C)[nH]c2ccc(Br)cc21 ZINC000001424301 568793569 /nfs/dbraw/zinc/79/35/69/568793569.db2.gz LQQVOLDVTTVISE-UHFFFAOYSA-N -1 3 441.322 3.908 50 0 IHAAHM Cc1sc2[n-]c([C@@H]3S[C@](c4ccccc4)(C(F)(F)F)NC3=O)nc(=O)c2c1C ZINC000012946251 568871116 /nfs/dbraw/zinc/87/11/16/568871116.db2.gz HAMZKWOORWGIQF-YVEFUNNKSA-N -1 3 425.457 3.921 50 0 IHAAHM Cc1cccc(S(=O)(=O)N2CCC[C@H]2c2nnc(C(=O)[N-]c3ccccc3F)s2)c1 ZINC000064941909 568991285 /nfs/dbraw/zinc/99/12/85/568991285.db2.gz KRNAAGHNTDLPJM-KRWDZBQOSA-N -1 3 446.529 3.764 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc2c(c1)CCN2C(=O)c1ccc(Cl)cc1 ZINC000064977045 569077370 /nfs/dbraw/zinc/07/73/70/569077370.db2.gz UZRYTEHUVNSZFO-UHFFFAOYSA-N -1 3 445.928 3.626 50 0 IHAAHM Cc1ccc(-n2cc(-c3noc(C(=O)[N-]c4cccc(Br)c4)n3)nn2)cc1 ZINC000065236674 569119625 /nfs/dbraw/zinc/11/96/25/569119625.db2.gz CVLLFSWVQYMAMV-UHFFFAOYSA-N -1 3 425.246 3.641 50 0 IHAAHM Cc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000065318927 569134497 /nfs/dbraw/zinc/13/44/97/569134497.db2.gz LUHSSXLXBIUZFZ-UHFFFAOYSA-N -1 3 444.488 3.611 50 0 IHAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1cccc(C)c1C)[n-]c2=O ZINC000017135631 569174383 /nfs/dbraw/zinc/17/43/83/569174383.db2.gz CKROJNRKAWNJNM-UHFFFAOYSA-N -1 3 435.509 3.877 50 0 IHAAHM O=S(=O)([N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccccc1 ZINC000017191386 569175885 /nfs/dbraw/zinc/17/58/85/569175885.db2.gz HVFDIDXZRRQLBW-UHFFFAOYSA-N -1 3 434.564 3.690 50 0 IHAAHM COc1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119408 569182820 /nfs/dbraw/zinc/18/28/20/569182820.db2.gz PNZVVNMGDOMIBA-NVXWUHKLSA-N -1 3 431.286 3.636 50 0 biogenic IHAAHM O=S(=O)([N-]c1ccc(Nc2ccc(-n3cccn3)nn2)cc1)c1cccc(Cl)c1 ZINC000013009996 569306759 /nfs/dbraw/zinc/30/67/59/569306759.db2.gz LQSUKWZKZFNKNE-UHFFFAOYSA-N -1 3 426.889 3.860 50 0 IHAAHM Cc1ccc(C([O-])=C2[C@H](c3ccc(Cl)cc3)NC(=S)N[C@@]2(O)C(F)(F)F)cc1 ZINC000013109400 569310255 /nfs/dbraw/zinc/31/02/55/569310255.db2.gz CXTLQMTZCXJYPB-MPGHIAIKSA-N -1 3 428.863 3.917 50 0 IHAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC(c1ccccc1)c1ccccc1 ZINC000020137026 569335824 /nfs/dbraw/zinc/33/58/24/569335824.db2.gz XBYUOBZYKCMBKF-FQEVSTJZSA-N -1 3 428.579 3.957 50 0 IHAAHM CC(C)c1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccc3nsnc32)C(C)C)cc1 ZINC000020280956 569358748 /nfs/dbraw/zinc/35/87/48/569358748.db2.gz VCTKJWVGWNMRJA-SFHVURJKSA-N -1 3 432.571 3.756 50 0 IHAAHM CC(C)(C)c1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Br)NC(=O)CO2 ZINC000095964492 569377203 /nfs/dbraw/zinc/37/72/03/569377203.db2.gz YKLNPZZIXBDDDK-UHFFFAOYSA-N -1 3 439.331 3.878 50 0 IHAAHM O=C(c1ccco1)c1ccc(C[N-]S(=O)(=O)c2ccccc2Br)s1 ZINC000096119823 569384803 /nfs/dbraw/zinc/38/48/03/569384803.db2.gz VCJBKVWKTZBWLR-UHFFFAOYSA-N -1 3 426.313 3.813 50 0 IHAAHM CCOc1cc(C=Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc(Br)c1[O-] ZINC000096133885 569385893 /nfs/dbraw/zinc/38/58/93/569385893.db2.gz SXERYEUAVLLQOP-DAXSKMNVSA-N -1 3 445.269 3.747 50 0 IHAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)Nc1ccc(F)c(F)c1)C3 ZINC000096326915 569396315 /nfs/dbraw/zinc/39/63/15/569396315.db2.gz UGEQQUGXBLBONZ-UHFFFAOYSA-N -1 3 433.842 3.877 50 0 IHAAHM Cc1ccc(NC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1F ZINC000096399501 569399989 /nfs/dbraw/zinc/39/99/89/569399989.db2.gz OBTPNIUMNRXSSJ-UHFFFAOYSA-N -1 3 425.532 3.846 50 0 IHAAHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C(=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000230035979 569418174 /nfs/dbraw/zinc/41/81/74/569418174.db2.gz OQASDXQACGOCDP-BHDDXSALSA-N -1 3 428.444 3.744 50 0 IHAAHM O=C(C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NCCc1ccccc1 ZINC000002938600 569426547 /nfs/dbraw/zinc/42/65/47/569426547.db2.gz OKRIEFHFUJHXCT-IBGZPJMESA-N -1 3 432.929 3.702 50 0 IHAAHM CCC[NH+]1CCN(c2ccc(C(=O)[O-])cc2[N-]S(=O)(=O)c2cc(C)c(C)cc2C)CC1 ZINC000058009335 569444698 /nfs/dbraw/zinc/44/46/98/569444698.db2.gz VWCVCAWXFXNHFT-UHFFFAOYSA-N -1 3 445.585 3.643 50 0 IHAAHM CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2ccc([O-])cc2)sc2c1CC[C@@H](C)C2 ZINC000003312982 569445612 /nfs/dbraw/zinc/44/56/12/569445612.db2.gz IYEIKIUPQJNBJY-OLZOCXBDSA-N -1 3 431.510 3.939 50 0 IHAAHM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000032096240 569459904 /nfs/dbraw/zinc/45/99/04/569459904.db2.gz 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O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000136634105 556690919 /nfs/dbraw/zinc/69/09/19/556690919.db2.gz VARXRXVMXBPTGE-PWRODBHTSA-N -1 3 432.407 3.575 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Sc3c(C)c(C)nc4ncnn43)cc2)cc1 ZINC000033122282 556863228 /nfs/dbraw/zinc/86/32/28/556863228.db2.gz SAIJXTHYHPWRFK-UHFFFAOYSA-N -1 3 441.538 3.702 50 0 IHAAHM CC1(C)CN(CC(=O)N2CCCC2)c2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cc21 ZINC000033129712 556869025 /nfs/dbraw/zinc/86/90/25/556869025.db2.gz XVDYMKPPMOBGFF-UHFFFAOYSA-N -1 3 447.988 3.861 50 0 IHAAHM COCCN1CCc2nc(SCc3nc(-c4cccc(C)c4)oc3C)[n-]c(=O)c2C1 ZINC000033141645 556877991 /nfs/dbraw/zinc/87/79/91/556877991.db2.gz IZSNSNSCCDKFQJ-UHFFFAOYSA-N -1 3 426.542 3.751 50 0 IHAAHM COc1cccc(OC)c1C([O-])=C1CC(=O)Nc2c1c(C)nn2-c1ccc(F)cc1F ZINC000046057164 557028705 /nfs/dbraw/zinc/02/87/05/557028705.db2.gz XJGRENNWJHTCKW-ZDUSSCGKSA-N -1 3 427.407 3.785 50 0 IHAAHM CCc1ccccc1NC(=O)C1CC(=O)Nc2nc(SCc3ccccc3)[n-]c(=O)c21 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438.578 3.851 50 0 IHAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(C(=O)NCCN3CCC[C@H](C)C3)cc2)c1 ZINC000032931458 556675267 /nfs/dbraw/zinc/67/52/67/556675267.db2.gz IIENPDMEMXZVOY-SFHVURJKSA-N -1 3 429.586 3.566 50 0 IHAAHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Br)cc1Cl ZINC000033047981 556743520 /nfs/dbraw/zinc/74/35/20/556743520.db2.gz RURLKUQEAAVKFH-OAHLLOKOSA-N -1 3 429.767 3.655 50 0 IHAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccccc3I)c2)n1 ZINC000058319164 556780615 /nfs/dbraw/zinc/78/06/15/556780615.db2.gz NYGYALMYKXSIQH-UHFFFAOYSA-N -1 3 431.233 3.602 50 0 IHAAHM O=C(Nc1ccccc1[O-])c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1 ZINC000058356424 556782718 /nfs/dbraw/zinc/78/27/18/556782718.db2.gz VPLZPPMOGZMFFB-UHFFFAOYSA-N -1 3 443.569 3.809 50 0 IHAAHM COc1ccc(CC(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c(OC)c1 ZINC000019603361 556830975 /nfs/dbraw/zinc/83/09/75/556830975.db2.gz XAXXKGGYJIMHIR-UHFFFAOYSA-N -1 3 444.484 3.825 50 0 IHAAHM CC(C)(C)NS(=O)(=O)c1cc(C(=O)[N-]c2nonc2-c2ccccc2)ccc1Cl 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/nfs/dbraw/zinc/08/57/91/557085791.db2.gz UAWJJCXSCQNEAZ-VQHVLOKHSA-N -1 3 447.538 3.943 50 0 IHAAHM CCOC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3cccc(Cl)c3C)c(=O)c1-2 ZINC000100942697 557203196 /nfs/dbraw/zinc/20/31/96/557203196.db2.gz IRDDNVUFRRBXFA-WMZOPIPTSA-N -1 3 446.290 3.599 50 0 IHAAHM COc1ccc(C([O-])=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 ZINC000025581095 557216314 /nfs/dbraw/zinc/21/63/14/557216314.db2.gz BHFXHZDHXBBNKM-WFXMLNOXSA-N -1 3 436.430 3.923 50 0 IHAAHM C[C@H]1c2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc3c2N(CCC3)C1=O ZINC000101061602 557218976 /nfs/dbraw/zinc/21/89/76/557218976.db2.gz UGUMGOPMJPXLDN-JTQLQIEISA-N -1 3 439.306 3.785 50 0 IHAAHM O=C(c1cc(C2CC2)nc2ccccc21)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000026113338 557234962 /nfs/dbraw/zinc/23/49/62/557234962.db2.gz MUUWJBJKNVUNEB-UHFFFAOYSA-N -1 3 441.578 3.757 50 0 IHAAHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2)c1ccccc1 ZINC000100486759 557409340 /nfs/dbraw/zinc/40/93/40/557409340.db2.gz NXTDRLQETVSXKY-PZJWPPBQSA-N -1 3 429.863 3.957 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3cn[n-]c3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000051316428 557464234 /nfs/dbraw/zinc/46/42/34/557464234.db2.gz IKPRMZVPQJGODX-UHFFFAOYSA-N -1 3 449.536 3.855 50 0 IHAAHM CCOc1ccc(-n2c(=O)c3c[n-]nc3nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000051316428 557464236 /nfs/dbraw/zinc/46/42/36/557464236.db2.gz IKPRMZVPQJGODX-UHFFFAOYSA-N -1 3 449.536 3.855 50 0 IHAAHM COc1ccc(C([O-])=C2[C@H](c3ccc(C(C)C)cc3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 ZINC000238881774 557841786 /nfs/dbraw/zinc/84/17/86/557841786.db2.gz BHFXHZDHXBBNKM-BBTUJRGHSA-N -1 3 436.430 3.923 50 0 IHAAHM O=C(COC(=O)c1ccc([O-])cc1O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 ZINC000019010402 568632034 /nfs/dbraw/zinc/63/20/34/568632034.db2.gz LLACOHMIYJNYQF-UHFFFAOYSA-N -1 3 438.505 3.823 50 0 IHAAHM O=C(CSc1n[n-]c(COc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCCO2 ZINC000003427718 568748888 /nfs/dbraw/zinc/74/88/88/568748888.db2.gz JZJCYMRXQMUFKP-UHFFFAOYSA-N -1 3 432.889 3.539 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)c2)cc1 ZINC000015541641 568797305 /nfs/dbraw/zinc/79/73/05/568797305.db2.gz ZJYWIGFLXCDTGU-UHFFFAOYSA-N -1 3 436.493 3.526 50 0 IHAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)c(OC)c1 ZINC000015730559 568814151 /nfs/dbraw/zinc/81/41/51/568814151.db2.gz UJIIRYPELCKJCS-JTQLQIEISA-N -1 3 442.946 3.981 50 0 IHAAHM CCCCc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)Nc4ccccc4[O-])CC3)C2=O)cc1 ZINC000012939920 568868420 /nfs/dbraw/zinc/86/84/20/568868420.db2.gz AESDPFVTUWSBQP-QFIPXVFZSA-N -1 3 449.551 3.717 50 0 IHAAHM Cc1c2ccc([O-])cc2oc(=O)c1CC(=O)Nc1cccc(OCCN2CCCCC2)c1 ZINC000524730289 568904133 /nfs/dbraw/zinc/90/41/33/568904133.db2.gz DHTGSUYWVNZCAO-UHFFFAOYSA-N -1 3 436.508 3.853 50 0 biogenic IHAAHM O=C([O-])c1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)C2ON1c1ccccc1 ZINC000245240467 568913323 /nfs/dbraw/zinc/91/33/23/568913323.db2.gz VARXRXVMXBPTGE-HBMCJLEFSA-N -1 3 432.407 3.575 50 0 IHAAHM CSCC[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)c1nnc2ccccn21 ZINC000036367301 569087477 /nfs/dbraw/zinc/08/74/77/569087477.db2.gz GKKYYNLCOIISLH-CYBMUJFWSA-N -1 3 431.370 3.809 50 0 IHAAHM O=C(c1ccccc1)N1CCC(CC[N-]S(=O)(=O)c2ccccc2C(F)(F)F)CC1 ZINC000065007430 569087597 /nfs/dbraw/zinc/08/75/97/569087597.db2.gz DOLDUIPZJJCXKN-UHFFFAOYSA-N -1 3 440.487 3.926 50 0 IHAAHM Cc1noc(-c2ccc(S(=O)(=O)[N-]C3CCN(Cc4ccccc4)CC3)s2)c1C ZINC000065031348 569091488 /nfs/dbraw/zinc/09/14/88/569091488.db2.gz CTBOOFUXJIVMAT-UHFFFAOYSA-N -1 3 431.583 3.963 50 0 IHAAHM COc1cc(NC(=O)CN2CCc3[n-]c4c(F)c(Cl)ccc4c(=O)c3C2)cc(OC)c1 ZINC000065035002 569092471 /nfs/dbraw/zinc/09/24/71/569092471.db2.gz VUIGFUVDOVGBDV-UHFFFAOYSA-N -1 3 445.878 3.747 50 0 IHAAHM Cc1ccc(C([O-])=C2[C@@H](c3ccc(Cl)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000036387048 569093149 /nfs/dbraw/zinc/09/31/49/569093149.db2.gz CXTLQMTZCXJYPB-HDMKZQKVSA-N -1 3 428.863 3.917 50 0 IHAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]C3CCCC3)c2)sc1C(=O)N1CCCC1 ZINC000065116868 569107408 /nfs/dbraw/zinc/10/74/08/569107408.db2.gz HOKLFVQHRPGEFJ-UHFFFAOYSA-N -1 3 425.601 3.637 50 0 IHAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccccc3)c2)sc1C(=O)N1CCCC1 ZINC000065117026 569107505 /nfs/dbraw/zinc/10/75/05/569107505.db2.gz XRURSENXTWMOKP-UHFFFAOYSA-N -1 3 447.607 3.895 50 0 IHAAHM O=c1ccc(-c2cccs2)nn1CCC[N-]S(=O)(=O)c1cccc(Cl)c1Cl ZINC000013800062 569157189 /nfs/dbraw/zinc/15/71/89/569157189.db2.gz ZMWZRMLHYPHJNX-UHFFFAOYSA-N -1 3 444.365 3.647 50 0 IHAAHM COCCOC(=O)c1sc2[n-]c(CN[C@H](C)c3cccc(Cl)c3)nc(=O)c2c1C ZINC000013040172 569308046 /nfs/dbraw/zinc/30/80/46/569308046.db2.gz NRESIBKDHAGTHT-GFCCVEGCSA-N -1 3 435.933 3.600 50 0 IHAAHM CCOc1ccccc1NC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000020116403 569335140 /nfs/dbraw/zinc/33/51/40/569335140.db2.gz IZXDMGRGNJFLKO-SFHVURJKSA-N -1 3 430.551 3.675 50 0 IHAAHM CCCS(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCCc3cccc(Cl)c32)cc1F ZINC000095977423 569377750 /nfs/dbraw/zinc/37/77/50/569377750.db2.gz SJJOJXMKWDMXEC-UHFFFAOYSA-N -1 3 446.953 3.772 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1cc(F)ccc1F ZINC000096287065 569390316 /nfs/dbraw/zinc/39/03/16/569390316.db2.gz CPFAZAKENGMKHO-IAGOWNOFSA-N -1 3 448.491 3.749 50 0 IHAAHM COc1ccc(Cl)c2c(=O)c3c([n-]c12)CCN(CC(=O)NCc1ccc(Cl)cc1)C3 ZINC000096326892 569396300 /nfs/dbraw/zinc/39/63/00/569396300.db2.gz RWJPBXGMNMJYCZ-UHFFFAOYSA-N -1 3 446.334 3.930 50 0 IHAAHM CCc1ccc(CNC(=O)CSc2nc3ccc([N-]S(C)(=O)=O)cc3s2)cc1 ZINC000096399513 569400194 /nfs/dbraw/zinc/40/01/94/569400194.db2.gz KLAAOHOEOXYJMY-UHFFFAOYSA-N -1 3 435.596 3.639 50 0 IHAAHM CCCOc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@@H]3c2ccncc2)cc1 ZINC000230014695 569417516 /nfs/dbraw/zinc/41/75/16/569417516.db2.gz ZZEGYUHGFNNAND-YTFSRNRJSA-N -1 3 429.476 3.922 50 0 IHAAHM Cc1ccc(CNC(=O)C[C@H]([N-]S(=O)(=O)c2ccc(Cl)cc2)c2ccco2)cc1 ZINC000002938569 569426553 /nfs/dbraw/zinc/42/65/53/569426553.db2.gz WKODFZMYDNFUBE-IBGZPJMESA-N -1 3 432.929 3.968 50 0 IHAAHM Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C32)cc1 ZINC000230075248 569433286 /nfs/dbraw/zinc/43/32/86/569433286.db2.gz BAZJKDYIWBGCDB-ZLNRFVROSA-N -1 3 443.478 3.702 50 0 IHAAHM C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000008862109 569480095 /nfs/dbraw/zinc/48/00/95/569480095.db2.gz JSZUAAUTCAYCIA-AWEZNQCLSA-N -1 3 442.566 3.880 50 0 IHAAHM O=S(=O)(Cc1ccc(C(F)(F)F)cc1)[N-]C[C@@](O)(c1ccoc1)c1cccs1 ZINC000244986033 569496860 /nfs/dbraw/zinc/49/68/60/569496860.db2.gz JCTKMQCTUIFPFI-QGZVFWFLSA-N -1 3 431.457 3.715 50 0 IHAAHM CCc1cc2oc(=O)cc(COC(=O)c3cccc([N-]S(C)(=O)=O)c3)c2cc1Cl ZINC000009120140 569503786 /nfs/dbraw/zinc/50/37/86/569503786.db2.gz DYMNTLXZSYPWMA-UHFFFAOYSA-N -1 3 435.885 3.737 50 0 IHAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3C)cc1C ZINC000009165896 569508873 /nfs/dbraw/zinc/50/88/73/569508873.db2.gz NVFYKCSMJZRPKA-UHFFFAOYSA-N -1 3 432.542 3.966 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)c3n[nH]c4ccccc43)ccc2C)cc1 ZINC000009366914 569526306 /nfs/dbraw/zinc/52/63/06/569526306.db2.gz UJBKGRNVZZTPII-UHFFFAOYSA-N -1 3 436.493 3.933 50 0 IHAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1OCC(=O)NCc1ccco1 ZINC000009426717 569533320 /nfs/dbraw/zinc/53/33/20/569533320.db2.gz LJSPRIUHHINACH-UHFFFAOYSA-N -1 3 434.901 3.737 50 0 IHAAHM CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccco3)o2)cc1 ZINC000009427878 569533437 /nfs/dbraw/zinc/53/34/37/569533437.db2.gz HPCMWJWMYLJWKK-HNNXBMFYSA-N -1 3 430.486 3.535 50 0 IHAAHM CCOc1ccc(-c2nc(COC(=O)c3cccc([N-]S(C)(=O)=O)c3)cs2)cc1 ZINC000009442767 569535650 /nfs/dbraw/zinc/53/56/50/569535650.db2.gz JHFHMAGAUGAFIU-UHFFFAOYSA-N -1 3 432.523 3.937 50 0 IHAAHM COC(=O)[C@H](CC(C)C)NC(=O)CSc1nnc([N-]c2ccccc2Cl)s1 ZINC000009451441 569536371 /nfs/dbraw/zinc/53/63/71/569536371.db2.gz VWEGAHPVCMEKDS-ZDUSSCGKSA-N -1 3 428.967 3.731 50 0 IHAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccccc1C(=O)NC1CCCC1 ZINC000009461310 569537022 /nfs/dbraw/zinc/53/70/22/569537022.db2.gz MUURRBLNHFDKOQ-UHFFFAOYSA-N -1 3 427.555 3.936 50 0 IHAAHM Cc1c(Cl)cccc1NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000009507066 569541991 /nfs/dbraw/zinc/54/19/91/569541991.db2.gz AGIMEVKNEAMTEB-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 IHAAHM Cc1ccc(CNC(=O)c2ccc(Cl)c([N-]S(=O)(=O)c3ccc(F)cc3)c2)n1C ZINC000009513558 569543164 /nfs/dbraw/zinc/54/31/64/569543164.db2.gz YYBNVCKUYOEHIJ-UHFFFAOYSA-N -1 3 435.908 3.857 50 0 IHAAHM COC(=O)c1ccc(CSc2nc3c(cnn3-c3cccc(Cl)c3)c(=O)[n-]2)cc1 ZINC000009521435 569544395 /nfs/dbraw/zinc/54/43/95/569544395.db2.gz DKABYDKUBZCQPM-UHFFFAOYSA-N -1 3 426.885 3.841 50 0 IHAAHM O=C(CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)NCc1ccc(F)cc1 ZINC000009590912 569550076 /nfs/dbraw/zinc/55/00/76/569550076.db2.gz CRUUCNUQOTWRBX-UHFFFAOYSA-N -1 3 443.891 3.722 50 0 IHAAHM COc1ccc2c(CSc3nc4c(cnn4-c4ccccc4)c(=O)[n-]3)cc(=O)oc2c1 ZINC000009644367 569556004 /nfs/dbraw/zinc/55/60/04/569556004.db2.gz WATCOEKIPNWXQV-UHFFFAOYSA-N -1 3 432.461 3.516 50 0 IHAAHM CC[C@@H]1CCc2sc(C(=O)N3CCC([N-]S(=O)(=O)c4cccs4)CC3)cc2C1 ZINC000009853605 569571518 /nfs/dbraw/zinc/57/15/18/569571518.db2.gz SMDRQVNNXLHGLG-CQSZACIVSA-N -1 3 438.640 3.908 50 0 IHAAHM CC(C)[C@H](NC(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1)c1ccc(F)cc1 ZINC000009872494 569572511 /nfs/dbraw/zinc/57/25/11/569572511.db2.gz HGRYCVACNQNJQL-IBGZPJMESA-N -1 3 439.578 3.737 50 0 IHAAHM Cc1cc(C)cc(NC(=O)C[N-]S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)c1 ZINC000033279552 569587419 /nfs/dbraw/zinc/58/74/19/569587419.db2.gz ATCRWEPSPKEEJN-UHFFFAOYSA-N -1 3 446.554 3.599 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cccc(OCCOc3cc(C)cc(C)c3)c2)S1 ZINC000020896520 519643483 /nfs/dbraw/zinc/64/34/83/519643483.db2.gz QDWMQSIKTBQFJF-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2cc(C)ccc2OCCOc2ccccc2C)S1 ZINC000020896272 519643623 /nfs/dbraw/zinc/64/36/23/519643623.db2.gz AGWMFBONTROOSC-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM CC(C)[C@H](NC(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccc(F)cc1 ZINC000012774284 519818561 /nfs/dbraw/zinc/81/85/61/519818561.db2.gz JCGTYRMVMSHUQH-QHCPKHFHSA-N -1 3 427.520 3.695 50 0 IHAAHM CCOc1ccc(S(=O)(=O)[N-]c2cc(-c3cn4nc(OC)ccc4n3)ccc2C)cc1 ZINC000012441331 521207447 /nfs/dbraw/zinc/20/74/47/521207447.db2.gz KYTDGXKUOFGAIW-UHFFFAOYSA-N -1 3 438.509 3.913 50 0 IHAAHM CCCCn1c(=O)[n-]nc1SCc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000016118996 521357225 /nfs/dbraw/zinc/35/72/25/521357225.db2.gz AXLOHFJGDWTNLH-UHFFFAOYSA-N -1 3 425.489 3.502 50 0 IHAAHM CCCn1cnc2cc(-c3noc([C@H](C)[N-]S(=O)(=O)c4ccc(C)cc4)n3)ccc21 ZINC000035453574 521663310 /nfs/dbraw/zinc/66/33/10/521663310.db2.gz LFKPHVQCAQXILL-HNNXBMFYSA-N -1 3 425.514 3.844 50 0 IHAAHM COc1ccc(Br)cc1S(=O)(=O)[N-][C@H](C)c1ccc(-n2ccnc2)cc1 ZINC000012576911 523506624 /nfs/dbraw/zinc/50/66/24/523506624.db2.gz XXBWDUAXBXIPNR-CYBMUJFWSA-N -1 3 436.331 3.683 50 0 IHAAHM CN(Cc1nc2ccsc2c(=O)[n-]1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 ZINC000012921743 523571664 /nfs/dbraw/zinc/57/16/64/523571664.db2.gz BUFXHJGRHUQPNA-UHFFFAOYSA-N -1 3 446.941 3.946 50 0 IHAAHM CCn1cnc2cc(-c3noc([C@@H]([N-]S(=O)(=O)c4ccccc4)C(C)C)n3)ccc21 ZINC000035453376 523572986 /nfs/dbraw/zinc/57/29/86/523572986.db2.gz VBBFYWZVUAIFGE-IBGZPJMESA-N -1 3 425.514 3.782 50 0 IHAAHM COc1ccc(CC[N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1 ZINC000012801587 523976406 /nfs/dbraw/zinc/97/64/06/523976406.db2.gz FVGXCMDBFAKKRA-UHFFFAOYSA-N -1 3 449.164 3.741 50 0 IHAAHM COc1ccccc1-n1ncc2c1nc(SCC(=O)Nc1ccc(C)cc1C)[n-]c2=O ZINC000017025823 524307415 /nfs/dbraw/zinc/30/74/15/524307415.db2.gz CCPIIBOCLMSILQ-UHFFFAOYSA-N -1 3 435.509 3.877 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@@H](C)c3ccccn3)c2)cc1 ZINC000012584507 524692717 /nfs/dbraw/zinc/69/27/17/524692717.db2.gz RZYZGOILNAHOTB-INIZCTEOSA-N -1 3 425.510 3.690 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NC[C@H](c3ccco3)N(C)C)ccc2C)cc1 ZINC000012761210 525296613 /nfs/dbraw/zinc/29/66/13/525296613.db2.gz OUTYTCZQUORLJQ-HXUWFJFHSA-N -1 3 441.553 3.730 50 0 IHAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(C2SCCS2)c1 ZINC000012849138 525580969 /nfs/dbraw/zinc/58/09/69/525580969.db2.gz VMSWANPMVRCYEL-GFCCVEGCSA-N -1 3 426.560 3.610 50 0 IHAAHM Cc1ccnc2nc(C(=O)[N-]c3ncc(Cc4ccc(OC(F)(F)F)cc4)s3)nn21 ZINC000012765605 525720882 /nfs/dbraw/zinc/72/08/82/525720882.db2.gz WJIBRICJRLSQRO-UHFFFAOYSA-N -1 3 434.403 3.631 50 0 IHAAHM C[C@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)ccc2S1 ZINC000020977388 526216976 /nfs/dbraw/zinc/21/69/76/526216976.db2.gz ZPFGGTHGHBTAIL-HNNXBMFYSA-N -1 3 431.583 3.906 50 0 IHAAHM O=C(Nc1cccc(Oc2ccc3c(c2)C(=O)[N-]C3=O)c1)c1ccc(Br)o1 ZINC000000692958 555542396 /nfs/dbraw/zinc/54/23/96/555542396.db2.gz VIEAQDZDAXVVRY-UHFFFAOYSA-N -1 3 427.210 3.970 50 0 IHAAHM CSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)C(=O)Nc2ccc(Br)cc21 ZINC000000822521 555564241 /nfs/dbraw/zinc/56/42/41/555564241.db2.gz AIGZTBAEIUTKPW-SFHVURJKSA-N -1 3 442.298 3.632 50 0 biogenic IHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CC(C)C)cc2)cc1 ZINC000002136501 555747324 /nfs/dbraw/zinc/74/73/24/555747324.db2.gz NZWOAQFEJQOJST-UHFFFAOYSA-N -1 3 435.571 3.745 50 0 IHAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C)cc3)cc2)cc1 ZINC000002998400 555876941 /nfs/dbraw/zinc/87/69/41/555876941.db2.gz HKZYGOUXXUDSSH-UHFFFAOYSA-N -1 3 426.494 3.822 50 0 IHAAHM COc1cc([C@H](c2sc3nc(C)nn3c2[O-])N2CCC[C@H](C)C2)cc(OC)c1OC ZINC000034913873 555929943 /nfs/dbraw/zinc/92/99/43/555929943.db2.gz LLIIRNMRYDHBER-YVEFUNNKSA-N -1 3 432.546 3.652 50 0 IHAAHM CCCc1cc2c(nc(C)n([N-]C(=O)[C@@H](C)n3nc(C(F)(F)F)cc3C)c2=O)s1 ZINC000002778690 556141122 /nfs/dbraw/zinc/14/11/22/556141122.db2.gz DSALFEAFRGHLOQ-SNVBAGLBSA-N -1 3 427.452 3.574 50 0 IHAAHM O=S(=O)([N-]c1cccc(Cl)c1)c1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 ZINC000008715406 556201741 /nfs/dbraw/zinc/20/17/41/556201741.db2.gz ZPIUVBZGMDVXEQ-UHFFFAOYSA-N -1 3 447.925 3.702 50 0 IHAAHM COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)cc(Br)c1[O-] ZINC000009296152 556275506 /nfs/dbraw/zinc/27/55/06/556275506.db2.gz JNFHGEVWNNKXJV-ZROIWOOFSA-N -1 3 425.348 3.896 50 0 IHAAHM CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3c(cnn3-c3ccc(C)cc3)c(=O)[n-]2)c1 ZINC000014200437 556390898 /nfs/dbraw/zinc/39/08/98/556390898.db2.gz YRVGTZJLWAECRF-OAHLLOKOSA-N -1 3 447.520 3.739 50 0 IHAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1nc(-c2ccccc2)cs1 ZINC000014231257 556397821 /nfs/dbraw/zinc/39/78/21/556397821.db2.gz MDLPSDQQUMCFPD-SFHVURJKSA-N -1 3 433.530 3.891 50 0 IHAAHM Cc1cc2nnc(S[C@H](C)C(=O)c3ccc([N-]S(C)(=O)=O)cc3)n2c2ccccc12 ZINC000032671970 556414438 /nfs/dbraw/zinc/41/44/38/556414438.db2.gz XJFSHTPUDKNLOS-CQSZACIVSA-N -1 3 440.550 3.926 50 0 IHAAHM Cc1ccc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)cc1F ZINC000012989388 556428152 /nfs/dbraw/zinc/42/81/52/556428152.db2.gz MQDFXJIFSOTDCF-UHFFFAOYSA-N -1 3 431.316 3.812 50 0 IHAAHM C[C@H](NC(=O)CSc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1)c1ccccc1 ZINC000015634565 556539375 /nfs/dbraw/zinc/53/93/75/556539375.db2.gz UDUHCMQNCWRQOK-ZDUSSCGKSA-N -1 3 439.928 3.732 50 0 IHAAHM CS(=O)(=O)[N-]c1cc(NC(=O)COc2ccccc2Cc2ccccc2)ccc1F ZINC000032908031 556564213 /nfs/dbraw/zinc/56/42/13/556564213.db2.gz OEDSCHOBSJIXNT-UHFFFAOYSA-N -1 3 428.485 3.806 50 0 IHAAHM Cc1cc(C(=O)COC(=O)C2CCN(C(=O)c3cc(C)ccc3[O-])CC2)c(C)n1C(C)C ZINC000032913733 556594869 /nfs/dbraw/zinc/59/48/69/556594869.db2.gz PNCDIQMYKOXZAI-UHFFFAOYSA-N -1 3 440.540 3.978 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000032975674 556600408 /nfs/dbraw/zinc/60/04/08/556600408.db2.gz XLWCULIVXYZZJH-RTBURBONSA-N -1 3 444.528 3.919 50 0 IHAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1Cl ZINC000032985973 556605565 /nfs/dbraw/zinc/60/55/65/556605565.db2.gz MFYVJKSMQJGUDR-UHFFFAOYSA-N -1 3 446.941 3.877 50 0 IHAAHM CCc1nn2c(nnc3c2ccn([N-]C(=O)c2ccccc2Cl)c3=O)c1-c1ccccc1 ZINC000040390787 556637565 /nfs/dbraw/zinc/63/75/65/556637565.db2.gz CTQMMKPWRYNUEC-UHFFFAOYSA-N -1 3 444.882 3.706 50 0 IHAAHM O=c1cc(CSc2nc3ccccc3s2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000054435395 556730775 /nfs/dbraw/zinc/73/07/75/556730775.db2.gz FYKAKABJLFRECR-UHFFFAOYSA-N -1 3 449.605 3.994 50 0 IHAAHM COc1ccc(NC(=O)c2c[n-]c3c(C)cc(Br)cc3c2=O)cc1NC(C)=O ZINC000058357028 556782654 /nfs/dbraw/zinc/78/26/54/556782654.db2.gz KHURQHTUAXWNRJ-UHFFFAOYSA-N -1 3 444.285 3.818 50 0 IHAAHM Cc1cc(Br)c([O-])c(C(=O)OCC(=O)c2cnc(N3CCCCC3)s2)c1 ZINC000062386970 556820630 /nfs/dbraw/zinc/82/06/30/556820630.db2.gz HKUVTURHCGTATH-UHFFFAOYSA-N -1 3 439.331 3.950 50 0 IHAAHM O=C(Nc1ccccc1)C1CC(=O)Nc2nc(SCc3ccc(Cl)cc3)[n-]c(=O)c21 ZINC000046075157 557031505 /nfs/dbraw/zinc/03/15/05/557031505.db2.gz NKORBPBBMMKPOP-HNNXBMFYSA-N -1 3 440.912 3.780 50 0 IHAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000046074909 557031509 /nfs/dbraw/zinc/03/15/09/557031509.db2.gz ZZDXYBFDQRDPSO-MRXNPFEDSA-N -1 3 434.521 3.744 50 0 IHAAHM Cc1cccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)c1 ZINC000046075253 557031515 /nfs/dbraw/zinc/03/15/15/557031515.db2.gz MKXADNBFKVZUTN-HNNXBMFYSA-N -1 3 438.484 3.574 50 0 IHAAHM COC(=O)c1c([N-]C(=O)c2cc(-c3ccc(OC)c(OC)c3)on2)sc2c1CCC2 ZINC000046086526 557035824 /nfs/dbraw/zinc/03/58/24/557035824.db2.gz BSEJZWBRBCNYPM-UHFFFAOYSA-N -1 3 428.466 3.948 50 0 IHAAHM S=c1[n-]c(-c2ccccc2Br)nn1CN1CCN(Cc2ccccn2)CC1 ZINC000022924641 557048312 /nfs/dbraw/zinc/04/83/12/557048312.db2.gz IZIRWBASFQGLHY-UHFFFAOYSA-N -1 3 445.390 3.540 50 0 IHAAHM CC(C)n1c(S[C@@H](C)C(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc2ccccc2c1=O ZINC000023222865 557074199 /nfs/dbraw/zinc/07/41/99/557074199.db2.gz WCZCNPTYAJJCEA-AWEZNQCLSA-N -1 3 445.566 3.712 50 0 IHAAHM CCC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccc(C)o2)s1 ZINC000033306566 557085683 /nfs/dbraw/zinc/08/56/83/557085683.db2.gz GNDAQVWEEXMTEO-VQHVLOKHSA-N -1 3 435.527 3.943 50 0 IHAAHM C[C@H](SCc1nc(=O)c2c(-c3ccccc3)csc2[n-]1)C(=O)N1CCO[C@H](C)C1 ZINC000011497287 557153824 /nfs/dbraw/zinc/15/38/24/557153824.db2.gz AORWVYUTWCGTFF-KGLIPLIRSA-N -1 3 429.567 3.521 50 0 IHAAHM Cc1sc2[n-]c(C(=Cc3cnn(-c4ccccc4)c3)C(=O)N3CCCC3)nc(=O)c2c1C ZINC000097998085 557187770 /nfs/dbraw/zinc/18/77/70/557187770.db2.gz KNSMBTOOHQNCMB-UNOMPAQXSA-N -1 3 445.548 3.950 50 0 IHAAHM CCOc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000018159261 557243795 /nfs/dbraw/zinc/24/37/95/557243795.db2.gz QBRWSSZSUDHTHM-ZRBLBEILSA-N -1 3 448.450 3.981 50 0 IHAAHM CCOc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000101148233 557262320 /nfs/dbraw/zinc/26/23/20/557262320.db2.gz QBRWSSZSUDHTHM-ZLNRFVROSA-N -1 3 448.450 3.981 50 0 IHAAHM CC(=O)Nc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000101221423 557266003 /nfs/dbraw/zinc/26/60/03/557266003.db2.gz IYRVNKAGCDPRBN-ZLNRFVROSA-N -1 3 445.450 3.835 50 0 IHAAHM Cc1ccc(CN2C(=O)[C@@H]3CCCC[C@@H]3C2=O)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000101628200 557292941 /nfs/dbraw/zinc/29/29/41/557292941.db2.gz DECGURWDURJORX-CALCHBBNSA-N -1 3 430.501 3.610 50 0 IHAAHM Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C(=O)[O-])cc4)[C@@H]3C2=O)cc1 ZINC000102760487 557385306 /nfs/dbraw/zinc/38/53/06/557385306.db2.gz OQASDXQACGOCDP-FDFHNCONSA-N -1 3 428.444 3.744 50 0 IHAAHM O=C([N-]N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2c2ccccc21)c1ccccc1Cl ZINC000000866651 557839915 /nfs/dbraw/zinc/83/99/15/557839915.db2.gz YJBMGDPGZIJORN-LIKPIUCQSA-N -1 3 428.875 3.877 50 0 IHAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(CC)S(=O)(=O)c2ccc(C)cc2)cc1)C(F)(F)F ZINC000003639388 562937162 /nfs/dbraw/zinc/93/71/62/562937162.db2.gz FNQMOBGENWIGGW-IBGZPJMESA-N -1 3 445.459 3.523 50 0 IHAAHM O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009596696 562973811 /nfs/dbraw/zinc/97/38/11/562973811.db2.gz NMHLIZASBYGQSS-OAQYLSRUSA-N -1 3 439.537 3.647 50 0 IHAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(CN3C(=O)c4ccccc4C3=O)cc2)cc1 ZINC000001079255 568656746 /nfs/dbraw/zinc/65/67/46/568656746.db2.gz NBMKQMCGFPLLRK-UHFFFAOYSA-N -1 3 436.489 3.682 50 0 IHAAHM COc1cc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c(OC)c1 ZINC000015730560 568814093 /nfs/dbraw/zinc/81/40/93/568814093.db2.gz UJIIRYPELCKJCS-SNVBAGLBSA-N -1 3 442.946 3.981 50 0 IHAAHM C[C@H]1CCCN(C(=O)CSc2nc(-c3ccc(C(C)(C)C)cc3)nc3cc(=O)[n-]n32)C1 ZINC000015732581 568815531 /nfs/dbraw/zinc/81/55/31/568815531.db2.gz RZUIZIIRYGQPSF-HNNXBMFYSA-N -1 3 439.585 3.733 50 0 IHAAHM CSc1cccc(NC(=O)[C@H](Cc2ccccc2)[N-]S(=O)(=O)c2cccs2)c1 ZINC000015865791 568850525 /nfs/dbraw/zinc/85/05/25/568850525.db2.gz JJQCXXOVDMKBLO-SFHVURJKSA-N -1 3 432.592 3.998 50 0 IHAAHM CC(C)C(=O)Oc1coc(CSc2nnc([N-]C(=O)c3cccs3)s2)cc1=O ZINC000016047907 568869225 /nfs/dbraw/zinc/86/92/25/568869225.db2.gz DVMPMJNZGQAVGG-UHFFFAOYSA-N -1 3 437.524 3.659 50 0 IHAAHM CCOC(=O)C1CCN([C@@H](c2sc3nc(CC)nn3c2[O-])c2ccc(CC)cc2)CC1 ZINC000016690085 568938485 /nfs/dbraw/zinc/93/84/85/568938485.db2.gz QXPZPPAJDAFLKK-LJQANCHMSA-N -1 3 442.585 3.986 50 0 IHAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4ccccc4)CC3)c2c1 ZINC000036354317 569084229 /nfs/dbraw/zinc/08/42/29/569084229.db2.gz BHMQGRUGVXIJQN-HSZRJFAPSA-N -1 3 434.540 3.706 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Oc3nc4ccccc4n4cnnc34)cc2)cc1 ZINC000065096405 569103567 /nfs/dbraw/zinc/10/35/67/569103567.db2.gz DDDRONLUWMVYGZ-UHFFFAOYSA-N -1 3 447.476 3.879 50 0 IHAAHM O=C(C1CCC1)N1CCc2sc(S(=O)(=O)[N-]Cc3ccc(F)cc3Cl)cc2C1 ZINC000065196289 569115704 /nfs/dbraw/zinc/11/57/04/569115704.db2.gz PAMHXDMNDGVMBL-UHFFFAOYSA-N -1 3 442.965 3.704 50 0 IHAAHM O=S(=O)([N-][C@H](Cc1nnc[nH]1)c1ccccc1)c1ccc(Cl)cc1C(F)(F)F ZINC000170619793 569147494 /nfs/dbraw/zinc/14/74/94/569147494.db2.gz FBKPOHDSMVRQSD-CQSZACIVSA-N -1 3 430.839 3.739 50 0 IHAAHM O=C(N[C@@]1(C(F)(F)F)[N-]C(=O)N(Cc2ccccc2)C1=O)c1ccc(Cl)cc1Cl ZINC000002871811 569177580 /nfs/dbraw/zinc/17/75/80/569177580.db2.gz LHYWOJPTJBYIJM-QGZVFWFLSA-N -1 3 446.212 3.734 50 0 IHAAHM O=C(NCCc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)[N-]S(=O)(=O)c1cccs1 ZINC000020116364 569335108 /nfs/dbraw/zinc/33/51/08/569335108.db2.gz GLAPNJOKCGZYIH-LJQANCHMSA-N -1 3 448.997 3.650 50 0 IHAAHM COc1cc(-n2cc(C(=O)Nc3ccccc3[O-])c3ccccc3c2=O)cc(OC)c1OC ZINC000095476134 569372907 /nfs/dbraw/zinc/37/29/07/569372907.db2.gz VVBVVRHZMXXNNK-UHFFFAOYSA-N -1 3 446.459 3.974 50 0 IHAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@H](c2ccccc2OCCOc2ccc(C)cc2C)S1 ZINC000020896167 569375092 /nfs/dbraw/zinc/37/50/92/569375092.db2.gz FTYLXAINBRTGQC-NRFANRHFSA-N -1 3 427.526 3.762 50 0 IHAAHM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2ncccc2[O-])cc1 ZINC000095946564 569376186 /nfs/dbraw/zinc/37/61/86/569376186.db2.gz ODVUCQVJSBNLKX-NRFANRHFSA-N -1 3 444.491 3.892 50 0 IHAAHM COCCn1ccc2c1cccc2NC(=O)COc1cc([O-])c2c(c1)OC(C)(C)CC2=O ZINC000096113727 569382591 /nfs/dbraw/zinc/38/25/91/569382591.db2.gz AZSHWGABGLBMNB-UHFFFAOYSA-N -1 3 438.480 3.755 50 0 biogenic IHAAHM CCc1nc(CN(Cc2ccco2)C(=O)C2CCC2)[n-]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317685 569393684 /nfs/dbraw/zinc/39/36/84/569393684.db2.gz NWMLVCZMGJVQAN-UHFFFAOYSA-N -1 3 435.524 3.854 50 0 IHAAHM CCOC(=O)C[C@H](c1ccc(OCc2ccccc2F)cc1)c1oc(CO)cc(=O)c1[O-] ZINC000096335753 569396667 /nfs/dbraw/zinc/39/66/67/569396667.db2.gz RXNSPIVYCQRWPX-LJQANCHMSA-N -1 3 442.439 3.641 50 0 IHAAHM O=C(NCCCNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc([O-])c1 ZINC000058161878 569449294 /nfs/dbraw/zinc/44/92/94/569449294.db2.gz DLDXGIYTAXXFLR-UHFFFAOYSA-N -1 3 434.336 3.980 50 0 IHAAHM COc1c(C)cnc(CN2CCN([C@H](C(=O)[O-])c3c[nH]c4cc(Cl)ccc43)CC2)c1C ZINC000031811096 569457688 /nfs/dbraw/zinc/45/76/88/569457688.db2.gz XIXNXDBRSAKQSA-NRFANRHFSA-N -1 3 442.947 3.785 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Nc3cc(-n4cccn4)ncn3)cc2)cc1C ZINC000038488258 569463005 /nfs/dbraw/zinc/46/30/05/569463005.db2.gz HPWVRSFTRPRQQP-UHFFFAOYSA-N -1 3 436.497 3.524 50 0 IHAAHM Cc1cc(Br)c([O-])c(C(=O)OCC(=O)Nc2ccc(OC(F)F)cc2)c1 ZINC000040151885 569493333 /nfs/dbraw/zinc/49/33/33/569493333.db2.gz GYMADWDKNYKYII-UHFFFAOYSA-N -1 3 430.201 3.860 50 0 IHAAHM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(-c4ccccc4Cl)[nH]c3c2)cc1 ZINC000040156326 569494123 /nfs/dbraw/zinc/49/41/23/569494123.db2.gz DJWXHYAWCXQXJU-UHFFFAOYSA-N -1 3 426.885 3.783 50 0 IHAAHM COCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3cccnc3)nc3ccccc32)N1 ZINC000009090681 569501027 /nfs/dbraw/zinc/50/10/27/569501027.db2.gz AVTVOKLBIBYVGD-OAQYLSRUSA-N -1 3 444.413 3.786 50 0 IHAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc(CCN3C(=O)c4cccnc4C3=O)cc2)c(C)c1 ZINC000009153158 569508025 /nfs/dbraw/zinc/50/80/25/569508025.db2.gz WMKCEJZHSBYNIJ-UHFFFAOYSA-N -1 3 449.532 3.646 50 0 IHAAHM Cc1ccc(O)c(NC(=O)CSc2nnc(-c3cc(Br)ccc3[O-])n2C)c1 ZINC000009189630 569510476 /nfs/dbraw/zinc/51/04/76/569510476.db2.gz IEKUQFBDALJIQZ-UHFFFAOYSA-N -1 3 449.330 3.695 50 0 IHAAHM O=c1nc(CSc2nnc(NC[C@@H]3CCCO3)s2)[n-]c2scc(-c3ccco3)c21 ZINC000009315454 569522108 /nfs/dbraw/zinc/52/21/08/569522108.db2.gz CNIKEEFMVANGQD-JTQLQIEISA-N -1 3 447.567 3.979 50 0 IHAAHM O=C(CN1C(=O)c2ccccc2C1=O)Nc1ccc([O-])c(-c2nc3ccccc3s2)c1 ZINC000009367812 569526506 /nfs/dbraw/zinc/52/65/06/569526506.db2.gz VHFYWFQGRYVXEG-UHFFFAOYSA-N -1 3 429.457 3.904 50 0 IHAAHM CCOc1ccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)C(C)C)cc1 ZINC000009378562 569527634 /nfs/dbraw/zinc/52/76/34/569527634.db2.gz PISAFNRCYRUHPP-OAQYLSRUSA-N -1 3 429.542 3.791 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc3[n-]ncc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000009490633 569540295 /nfs/dbraw/zinc/54/02/95/569540295.db2.gz SSCUFYNFZWNNAP-UHFFFAOYSA-N -1 3 435.509 3.547 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc3n[n-]cc3c(=O)n2-c2ccc(C)cc2)cc1 ZINC000009490633 569540296 /nfs/dbraw/zinc/54/02/96/569540296.db2.gz SSCUFYNFZWNNAP-UHFFFAOYSA-N -1 3 435.509 3.547 50 0 IHAAHM C[C@H]1CCc2c(sc(NC(=O)CSc3n[n-]c(-c4cccs4)n3)c2C(N)=O)C1 ZINC000009669640 569558113 /nfs/dbraw/zinc/55/81/13/569558113.db2.gz MHIXOGYBLVBKIQ-VIFPVBQESA-N -1 3 433.584 3.549 50 0 IHAAHM COc1cc(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)N(C)Cc2ccco2)c1OC ZINC000009671150 569558508 /nfs/dbraw/zinc/55/85/08/569558508.db2.gz DHCRCHYCDBOTRZ-UHFFFAOYSA-N -1 3 448.472 3.509 50 0 IHAAHM COc1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)cc1 ZINC000009713141 569562482 /nfs/dbraw/zinc/56/24/82/569562482.db2.gz XQVYGIJIOMDOIU-UHFFFAOYSA-N -1 3 428.485 3.907 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(-n3c(C)nc4ccccc4c3=O)cc2C)cc1 ZINC000009715054 569562991 /nfs/dbraw/zinc/56/29/91/569562991.db2.gz LJPWNQUQJRNOOY-UHFFFAOYSA-N -1 3 435.505 3.812 50 0 IHAAHM Cc1ccc(CNC(=O)C(=C([O-])c2ccc(Br)cc2)n2ccccc2=O)cc1 ZINC000009763643 569566666 /nfs/dbraw/zinc/56/66/66/569566666.db2.gz XZVWVUNOVKUEHW-FQEVSTJZSA-N -1 3 439.309 3.660 50 0 IHAAHM Cc1cc(S(=O)(=O)[N-]CC2CCN(C(=O)c3ccoc3)CC2)c(Cl)cc1Cl ZINC000077099738 569585215 /nfs/dbraw/zinc/58/52/15/569585215.db2.gz CFBYYRMDQKWWRU-UHFFFAOYSA-N -1 3 431.341 3.726 50 0 IHAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(Br)cc3F)cc3c2N1CCC3 ZINC000009738399 132240241 /nfs/dbraw/zinc/24/02/41/132240241.db2.gz FXSFAYPGTQQTRY-UHFFFAOYSA-N -1 3 439.306 3.614 50 0 IHAAHM CCC[C@@H](C)N1CCN(c2ccc(NC(=O)c3ccc(OC)cc3)cc2C(=O)[O-])CC1 ZINC000021716389 520651099 /nfs/dbraw/zinc/65/10/99/520651099.db2.gz DHMNVSOICDOCQY-QGZVFWFLSA-N -1 3 425.529 3.956 50 0 IHAAHM CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1cccs1 ZINC000021763068 522082100 /nfs/dbraw/zinc/08/21/00/522082100.db2.gz OGGCXTKUYVFCDK-LJQANCHMSA-N -1 3 447.557 3.721 50 0 IHAAHM CCn1c2ccccc2c2cc(NC(=O)[C@H](C)[N-]S(=O)(=O)c3c(C)noc3C)ccc21 ZINC000012527280 523278320 /nfs/dbraw/zinc/27/83/20/523278320.db2.gz VZVNSFQVZHEROX-AWEZNQCLSA-N -1 3 440.525 3.725 50 0 IHAAHM C[C@H](Sc1nnc2c(Cl)cc(Cl)cn12)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000012604561 526015174 /nfs/dbraw/zinc/01/51/74/526015174.db2.gz DRENCQHKWYDNFI-VIFPVBQESA-N -1 3 445.353 3.771 50 0 IHAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](C)c1cnn(-c2cccc(C(F)(F)F)c2)c1C ZINC000012887721 526555367 /nfs/dbraw/zinc/55/53/67/526555367.db2.gz JMMWUYTXHYDHSG-SNVBAGLBSA-N -1 3 428.436 3.844 50 0 IHAAHM Cc1sc2[n-]c(CN3Cc4ccccc4C[C@H]3C(N)=O)nc(=O)c2c1-c1ccc(C)cc1 ZINC000035349087 526894293 /nfs/dbraw/zinc/89/42/93/526894293.db2.gz ZRMQYWZWCJZINM-IBGZPJMESA-N -1 3 444.560 3.681 50 0 IHAAHM O=C(Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1ccc[nH]c1=O ZINC000012814048 527177494 /nfs/dbraw/zinc/17/74/94/527177494.db2.gz XEWHHIPQKXTMLP-UHFFFAOYSA-N -1 3 438.292 3.735 50 0 IHAAHM O=C(Nc1nc2c(s1)CCCCC2)c1cccc(S(=O)(=O)[N-]CC(F)(F)F)c1 ZINC000022326079 527511685 /nfs/dbraw/zinc/51/16/85/527511685.db2.gz STXWQRBSMHEGAY-UHFFFAOYSA-N -1 3 433.477 3.505 50 0 IHAAHM CC(C)[C@@H](NC(=O)c1ccccc1Cl)C(=O)OCC(=O)[N-]c1cc(C(C)(C)C)no1 ZINC000032739520 556300032 /nfs/dbraw/zinc/30/00/32/556300032.db2.gz VPJGIFBCPZEDGW-GOSISDBHSA-N -1 3 435.908 3.562 50 0 IHAAHM CC[C@H](C)N1C(=O)S/C(=C\c2cc(I)c([O-])c(OC)c2)C1=O ZINC000013881465 556326271 /nfs/dbraw/zinc/32/62/71/556326271.db2.gz RSUFHGZXWVBOEV-VQLBTBKJSA-N -1 3 433.267 3.840 50 0 IHAAHM COc1ccc(C)cc1NC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000032774460 556336562 /nfs/dbraw/zinc/33/65/62/556336562.db2.gz TVUXMSXQCVXLNX-CQSZACIVSA-N -1 3 435.509 3.957 50 0 IHAAHM Cc1nc2ccccc2nc1CC[N-]S(=O)(=O)c1ccc(Br)cc1Cl ZINC000032824097 556408789 /nfs/dbraw/zinc/40/87/89/556408789.db2.gz NQBAYBXKCXWVFD-UHFFFAOYSA-N -1 3 440.750 3.875 50 0 IHAAHM Cc1ccc(-c2csc3[n-]c(CN4CCN(C(=O)c5ccco5)CC4)nc(=O)c23)s1 ZINC000012987501 556427696 /nfs/dbraw/zinc/42/76/96/556427696.db2.gz SWGHXUOGJRNXCW-UHFFFAOYSA-N -1 3 440.550 3.573 50 0 IHAAHM O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)c1 ZINC000013138776 556485406 /nfs/dbraw/zinc/48/54/06/556485406.db2.gz NIACPDWVLRKFCV-HNNXBMFYSA-N -1 3 429.325 3.703 50 0 IHAAHM CCOC(=O)c1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(F)cc2F)c(Br)c1 ZINC000029940072 556486984 /nfs/dbraw/zinc/48/69/84/556486984.db2.gz HGBAYCHLWDHBJE-SNVBAGLBSA-N -1 3 448.285 3.944 50 0 IHAAHM Cc1ccc(-n2ccnc2SCC(=O)N(C)Cc2nc3ccsc3c(=O)[n-]2)c(C)c1 ZINC000030031896 556489834 /nfs/dbraw/zinc/48/98/34/556489834.db2.gz UESPZRDKIMSYPC-UHFFFAOYSA-N -1 3 439.566 3.538 50 0 IHAAHM CCN(CC(=O)Nc1ccc(OC)cc1)Cc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000030219835 556491586 /nfs/dbraw/zinc/49/15/86/556491586.db2.gz LKUUSRQIJJJJND-UHFFFAOYSA-N -1 3 438.509 3.714 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NCc4ccccc4)CC3)cc2)cc1 ZINC000015869470 556559926 /nfs/dbraw/zinc/55/99/26/556559926.db2.gz HPDUXEQARWVBIB-UHFFFAOYSA-N -1 3 436.533 3.844 50 0 IHAAHM COc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccc(OC)cc2)cc1 ZINC000138721491 556719502 /nfs/dbraw/zinc/71/95/02/556719502.db2.gz FBYKKEJUYQCEDB-YTFSRNRJSA-N -1 3 448.450 3.894 50 0 IHAAHM CC(=O)NCCc1ccc(S(=O)(=O)[N-]C2(c3ccc(Cl)cc3)CCCC2)s1 ZINC000058246547 556775565 /nfs/dbraw/zinc/77/55/65/556775565.db2.gz AZSIODLIRDBPQB-UHFFFAOYSA-N -1 3 426.991 3.828 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CN(C(=O)c2ccco2)CC3)cc1C ZINC000008977175 556852214 /nfs/dbraw/zinc/85/22/14/556852214.db2.gz UYDRTMXONLVXQG-UHFFFAOYSA-N -1 3 426.494 3.596 50 0 IHAAHM CCOc1cccc([C@H]2CC(c3ccccc3[N-]S(C)(=O)=O)=NN2C(=O)C(C)C)c1 ZINC000097105738 556987809 /nfs/dbraw/zinc/98/78/09/556987809.db2.gz MFQHIBYRIUUNKK-OAQYLSRUSA-N -1 3 429.542 3.791 50 0 IHAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2OC(F)(F)F)C3)cc1 ZINC000097112856 556989746 /nfs/dbraw/zinc/98/97/46/556989746.db2.gz FVCOTFPRGJTQGW-UHFFFAOYSA-N -1 3 445.397 3.543 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074346 557030721 /nfs/dbraw/zinc/03/07/21/557030721.db2.gz WARRHGSPGJCXMH-SFHVURJKSA-N -1 3 448.548 3.732 50 0 IHAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1C ZINC000046075596 557032394 /nfs/dbraw/zinc/03/23/94/557032394.db2.gz XFFBTQBLONSQDP-QGZVFWFLSA-N -1 3 434.521 3.744 50 0 IHAAHM [O-]c1ccccc1-c1nc(CSc2nnnn2-c2ccc(OC(F)(F)F)cc2)no1 ZINC000048301673 557063083 /nfs/dbraw/zinc/06/30/83/557063083.db2.gz VSZJAWGVUXZOCS-UHFFFAOYSA-N -1 3 436.375 3.609 50 0 IHAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)N1CCC(C(=O)Nc2ccccc2)CC1 ZINC000048368885 557076018 /nfs/dbraw/zinc/07/60/18/557076018.db2.gz XIHUAXIBNDDGOM-UHFFFAOYSA-N -1 3 427.555 3.503 50 0 IHAAHM CC(C)N(C(=O)[C@@H](C)OC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C(C)(C)C)c1)C(C)C ZINC000023277676 557081736 /nfs/dbraw/zinc/08/17/36/557081736.db2.gz DMHLXOOJOUICLK-CQSZACIVSA-N -1 3 446.997 3.608 50 0 IHAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]Cc2ccccc2C)s1 ZINC000033306480 557085450 /nfs/dbraw/zinc/08/54/50/557085450.db2.gz PXEDVDUPZIUBLB-CSKARUKUSA-N -1 3 431.539 3.960 50 0 IHAAHM O=C(OCc1csc(-c2ccco2)n1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000025619999 557219643 /nfs/dbraw/zinc/21/96/43/557219643.db2.gz DPBCQSJVDKLTAK-UHFFFAOYSA-N -1 3 438.914 3.854 50 0 IHAAHM CC(=O)Oc1ccc(N2C(=O)[C@@H]3C(=C2[O-])ON(c2ccccc2)[C@H]3c2ccc(F)cc2)cc1 ZINC000101189998 557262904 /nfs/dbraw/zinc/26/29/04/557262904.db2.gz UVAZWQPBCIEZCG-RJGXRXQPSA-N -1 3 446.434 3.802 50 0 IHAAHM COC(=O)c1c2c(sc1[N-]C(=O)c1cc(-c3ccc4c(c3)OCCO4)on1)CCC2 ZINC000027793593 557274456 /nfs/dbraw/zinc/27/44/56/557274456.db2.gz QHMMFUDPNMVMHW-UHFFFAOYSA-N -1 3 426.450 3.702 50 0 IHAAHM Cc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4[n-]cc-3c2=O)c(Br)c1 ZINC000101800992 557298830 /nfs/dbraw/zinc/29/88/30/557298830.db2.gz NWPFWPWUCKVSCX-UHFFFAOYSA-N -1 3 429.249 3.678 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C(F)(F)F)nc2Br)cc1F ZINC000225693399 557764828 /nfs/dbraw/zinc/76/48/28/557764828.db2.gz HVZGXWMAIYSPGS-UHFFFAOYSA-N -1 3 429.189 3.811 50 0 IHAAHM O=C(c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2)c1ccccc1 ZINC000008757176 562963930 /nfs/dbraw/zinc/96/39/30/562963930.db2.gz NXTDRLQETVSXKY-TZIWHRDSSA-N -1 3 429.863 3.957 50 0 IHAAHM CCCCNC(=O)N([O-])[C@@H]1N(CCc2ccc(OC)c(OC)c2)C(=S)SC1(C)C ZINC000015162298 568731884 /nfs/dbraw/zinc/73/18/84/568731884.db2.gz WEOWTVKMOFGSJZ-KRWDZBQOSA-N -1 3 441.619 3.886 50 0 IHAAHM O=C(OCc1csc(Nc2ccccc2)n1)c1sccc1S(=O)(=O)[N-]C1CC1 ZINC000012526525 568742519 /nfs/dbraw/zinc/74/25/19/568742519.db2.gz ORJWEGPFFMJCCU-UHFFFAOYSA-N -1 3 435.552 3.746 50 0 IHAAHM Cc1cc(S(=O)(=O)[N-]CC2CCN(C(=O)NC(C)(C)C)CC2)c(Cl)cc1Cl ZINC000043955988 568744461 /nfs/dbraw/zinc/74/44/61/568744461.db2.gz 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Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nc3c2nc[n-]c3=O)cc1 ZINC000012462131 525900192 /nfs/dbraw/zinc/90/01/92/525900192.db2.gz GMBIVPHMCZJZKM-UHFFFAOYSA-N -1 3 425.901 3.801 50 0 biogenic,in-vitro IHAAHM C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)[N-]c3cccc(CN4CCCC4)c3)ccc2S1 ZINC000020977382 526217308 /nfs/dbraw/zinc/21/73/08/526217308.db2.gz ZPFGGTHGHBTAIL-OAHLLOKOSA-N -1 3 431.583 3.906 50 0 IHAAHM O=C(NCCN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O)c1ccccc1[O-] ZINC000035104227 526299795 /nfs/dbraw/zinc/29/97/95/526299795.db2.gz BEMXSROUAMVZKP-LFIBNONCSA-N -1 3 447.310 3.621 50 0 IHAAHM O=C(Cc1ccccc1)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000001232151 555686968 /nfs/dbraw/zinc/68/69/68/555686968.db2.gz DDKNMFRRSRWRSY-HNNXBMFYSA-N -1 3 432.760 3.734 50 0 IHAAHM O=C1NC(=Cc2ccc([O-])c(I)c2)C(=O)N1c1cccc(Cl)c1 ZINC000009323335 556281422 /nfs/dbraw/zinc/28/14/22/556281422.db2.gz JLIFDZOKXYXOKA-NTUHNPAUSA-N -1 3 440.624 3.748 50 0 IHAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC[C@H]4CCCO4)CC3)cc2)cc1 ZINC000033115326 556554899 /nfs/dbraw/zinc/55/48/99/556554899.db2.gz CKLOACJVXXGHNV-OAQYLSRUSA-N -1 3 442.581 3.767 50 0 IHAAHM COCCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc2)CC1 ZINC000033274733 556559193 /nfs/dbraw/zinc/55/91/93/556559193.db2.gz IULYIRDHOCLRKJ-UHFFFAOYSA-N -1 3 430.570 3.597 50 0 IHAAHM COc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccc(Br)cc3)n2)cc1 ZINC000013495064 556608733 /nfs/dbraw/zinc/60/87/33/556608733.db2.gz TWZKHVKUJCFQSQ-LLVKDONJSA-N -1 3 438.303 3.547 50 0 IHAAHM CC(C)c1cccc2c(=O)c(C(=O)Nc3cccc(OCCN4CCOCC4)c3)c[n-]c21 ZINC000409415109 556641691 /nfs/dbraw/zinc/64/16/91/556641691.db2.gz UAQYDXRUWLPWQU-UHFFFAOYSA-N -1 3 435.524 3.615 50 0 IHAAHM Cc1nc([N-]C(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)sc1C(=O)OCC(C)C ZINC000011916028 556673036 /nfs/dbraw/zinc/67/30/36/556673036.db2.gz ISVLDJUEVZZBFC-UHFFFAOYSA-N -1 3 443.481 3.943 50 0 IHAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N[C@H](C)COCC(F)(F)F)c2)cc1 ZINC000058291618 556777735 /nfs/dbraw/zinc/77/77/35/556777735.db2.gz HLRHWYGDBMBWSH-OAHLLOKOSA-N -1 3 444.475 3.801 50 0 IHAAHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1cc(Br)ccc1F ZINC000058307371 556779298 /nfs/dbraw/zinc/77/92/98/556779298.db2.gz ISEQJTGZPNHBCC-LBPRGKRZSA-N -1 3 431.302 3.532 50 0 IHAAHM Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000019897669 556940603 /nfs/dbraw/zinc/94/06/03/556940603.db2.gz ODHWQEDBLRKJMO-UHFFFAOYSA-N -1 3 438.477 3.875 50 0 IHAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000010811720 557029396 /nfs/dbraw/zinc/02/93/96/557029396.db2.gz PZGYOMBVSHBMHS-ZDUSSCGKSA-N -1 3 436.892 3.722 50 0 IHAAHM CCc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4)[n-]c(=O)c32)cc1 ZINC000046074601 557030579 /nfs/dbraw/zinc/03/05/79/557030579.db2.gz WSQCRVGBEPBPOZ-KRWDZBQOSA-N -1 3 434.521 3.689 50 0 IHAAHM Cc1cccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2F)CC(=O)N3)c1 ZINC000046074806 557030976 /nfs/dbraw/zinc/03/09/76/557030976.db2.gz ZLFSYMWSBYTTGM-AWEZNQCLSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1ccc(CSc2nc3c(c(=O)[n-]2)C(C(=O)Nc2ccccc2C)CC(=O)N3)cc1 ZINC000046074906 557031487 /nfs/dbraw/zinc/03/14/87/557031487.db2.gz ZZDXYBFDQRDPSO-INIZCTEOSA-N -1 3 434.521 3.744 50 0 IHAAHM Cc1ccc(NC(=O)C2CC(=O)Nc3nc(SCc4ccccc4F)[n-]c(=O)c32)cc1 ZINC000046075258 557031946 /nfs/dbraw/zinc/03/19/46/557031946.db2.gz TZEZVCYTVIAUPE-HNNXBMFYSA-N -1 3 438.484 3.574 50 0 IHAAHM Cc1cc(CN2CCN([C@@H](C)c3nc(=O)c4c(-c5ccccc5)csc4[n-]3)CC2)no1 ZINC000022919675 557046702 /nfs/dbraw/zinc/04/67/02/557046702.db2.gz GSYKMZLIWIJSGQ-INIZCTEOSA-N -1 3 435.553 3.827 50 0 IHAAHM COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)[N-][C@H](C)c2ccc(Cl)c(Cl)c2)c1 ZINC000048345669 557071942 /nfs/dbraw/zinc/07/19/42/557071942.db2.gz ZSLJSPBNVDKMRO-SNVBAGLBSA-N -1 3 446.308 3.606 50 0 IHAAHM CC(=O)Nc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C([O-])=C3ON2c2ccccc2)cc1 ZINC000017859388 557126541 /nfs/dbraw/zinc/12/65/41/557126541.db2.gz IYRVNKAGCDPRBN-ZRBLBEILSA-N -1 3 445.450 3.835 50 0 IHAAHM COc1ccc(-c2nc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c3ccccc3F)sc2C)cc1 ZINC000024834166 557171606 /nfs/dbraw/zinc/17/16/06/557171606.db2.gz QTKKVFANPDQFLV-GFCCVEGCSA-N -1 3 449.529 3.572 50 0 IHAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccccc1C(F)(F)F ZINC000100880453 557198211 /nfs/dbraw/zinc/19/82/11/557198211.db2.gz RYWKVBRCRCUFRT-HIFRSBDPSA-N -1 3 439.187 3.760 50 0 IHAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3csc4nc(C)cc(=O)n34)c2)cc1C ZINC000011696301 557233119 /nfs/dbraw/zinc/23/31/19/557233119.db2.gz OXQYBMXXRDYYAU-UHFFFAOYSA-N -1 3 441.534 3.849 50 0 IHAAHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1nc2ccccc2o1 ZINC000013987386 557242131 /nfs/dbraw/zinc/24/21/31/557242131.db2.gz MDVODDNJUHFJKG-JTQLQIEISA-N -1 3 429.281 3.545 50 0 IHAAHM C[C@H](Sc1nnnn1Cc1ccco1)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000011683094 557365823 /nfs/dbraw/zinc/36/58/23/557365823.db2.gz ZDLHBKGZGXGALN-JTQLQIEISA-N -1 3 426.483 3.726 50 0 IHAAHM COc1ccc(NC(=O)[N-]c2snnc2C(=O)N2CCCC[C@H]2c2cccnc2)cc1 ZINC000033436152 557397632 /nfs/dbraw/zinc/39/76/32/557397632.db2.gz MGQBFKQMRABGOE-KRWDZBQOSA-N -1 3 438.513 3.953 50 0 IHAAHM C[N-]S(=O)(=O)c1ccc(CNc2ncnc3cc(-c4ccc(OC)cc4)sc32)s1 ZINC000009216694 562968259 /nfs/dbraw/zinc/96/82/59/562968259.db2.gz YJIZHXKJHLSNJU-UHFFFAOYSA-N -1 3 446.579 3.949 50 0 IHAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1)c1ccncc1 ZINC000025379674 568655269 /nfs/dbraw/zinc/65/52/69/568655269.db2.gz SNOHCDRJPFZKMO-HNNXBMFYSA-N -1 3 429.929 3.705 50 0 IHAAHM O=C(c1csc(-c2cccs2)n1)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000025905726 568791252 /nfs/dbraw/zinc/79/12/52/568791252.db2.gz XDAMRIAAZKXLCA-UHFFFAOYSA-N -1 3 439.609 3.516 50 0 IHAAHM Cc1ccc(-c2n[nH]c(=O)c3c2CCCC3)cc1S(=O)(=O)[N-]c1ccc(F)cc1F ZINC000015669363 568801902 /nfs/dbraw/zinc/80/19/02/568801902.db2.gz FKNIVRHOROOIIK-UHFFFAOYSA-N -1 3 431.464 3.703 50 0 IHAAHM CCCS(=O)(=O)N1CCCc2ccc([N-]S(=O)(=O)c3c(C)cc(C)cc3C)cc21 ZINC000015781380 568825775 /nfs/dbraw/zinc/82/57/75/568825775.db2.gz NFDCUYPTUPHKHP-UHFFFAOYSA-N -1 3 436.599 3.905 50 0 IHAAHM Cc1oc(-c2cccc(C)c2)nc1CSc1nc2c(nc[n-]c2=O)n1C[C@@H]1CCCO1 ZINC000085704133 568835449 /nfs/dbraw/zinc/83/54/49/568835449.db2.gz WGPSLCYIDPUHRB-INIZCTEOSA-N -1 3 437.525 3.863 50 0 IHAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1cc2ccccc2o1 ZINC000575619293 568882704 /nfs/dbraw/zinc/88/27/04/568882704.db2.gz CWGFRBYPGFSQKZ-GFCCVEGCSA-N -1 3 429.361 3.838 50 0 IHAAHM Cc1cc(CNC(=O)c2cc(S(=O)(=O)[N-]C3CC3)c(Cl)cc2Cl)ccc1F ZINC000013010420 568899980 /nfs/dbraw/zinc/89/99/80/568899980.db2.gz ULCGPXYPBBUQDW-UHFFFAOYSA-N -1 3 431.316 3.812 50 0 IHAAHM CCN1CCN2c3cccc(Cl)c3C[C@@]3(C(=O)[N-]C(=O)N(c4ccccc4)C3=O)[C@H]2C1 ZINC000245325971 568915066 /nfs/dbraw/zinc/91/50/66/568915066.db2.gz IIWDOUYSHMKYQW-XXBNENTESA-N -1 3 438.915 3.516 50 0 IHAAHM COC[C@H](O)CN(CCC(C)C)Cc1nc(=O)c2c(-c3ccccc3OC)csc2[n-]1 ZINC000036207163 568973165 /nfs/dbraw/zinc/97/31/65/568973165.db2.gz UIYMYELRBGAHQZ-MRXNPFEDSA-N -1 3 445.585 3.516 50 0 IHAAHM CC(C)c1ccc(S(=O)(=O)NCc2nnc(C(=O)[N-]c3ccccc3F)s2)cc1 ZINC000064991771 569084755 /nfs/dbraw/zinc/08/47/55/569084755.db2.gz OKJZOLKHPNLXRQ-UHFFFAOYSA-N -1 3 434.518 3.531 50 0 IHAAHM Cc1ccc(S(=O)(=O)N[C@H](CCOC(=O)c2ccc([O-])cc2)c2ccccc2)cc1 ZINC000013129405 569125330 /nfs/dbraw/zinc/12/53/30/569125330.db2.gz YPBPWPPEAWOCPY-JOCHJYFZSA-N -1 3 425.506 3.967 50 0 IHAAHM COc1ccc([C@H]2CC(c3cc(Cl)ccc3[O-])=NC3(CCN(C(C)=O)CC3)N2)cc1 ZINC000065298557 569131999 /nfs/dbraw/zinc/13/19/99/569131999.db2.gz GFXIDRDVABZARN-HXUWFJFHSA-N -1 3 427.932 3.917 50 0 biogenic IHAAHM Cc1ccc(C(=O)N2N[C@H](c3ccccc3F)[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C32)cc1 ZINC000251449584 569158904 /nfs/dbraw/zinc/15/89/04/569158904.db2.gz CFXKFDBVNRLNNP-ZLNRFVROSA-N -1 3 443.478 3.702 50 0 IHAAHM COc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(Br)c1OC ZINC000002119405 569182793 /nfs/dbraw/zinc/18/27/93/569182793.db2.gz PNZVVNMGDOMIBA-WBVHZDCISA-N -1 3 431.286 3.636 50 0 biogenic IHAAHM O=C([N-]n1cnc2c(cnn2-c2cccc(Cl)c2)c1=O)c1ccccc1C(F)(F)F ZINC000013036697 569307505 /nfs/dbraw/zinc/30/75/05/569307505.db2.gz YNTIJDAIUYZHHW-UHFFFAOYSA-N -1 3 433.777 3.638 50 0 IHAAHM Cc1ccc(OCCNC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2)cc1 ZINC000013113077 569310659 /nfs/dbraw/zinc/31/06/59/569310659.db2.gz NUKUKHJBOYLWFX-UHFFFAOYSA-N -1 3 428.485 3.744 50 0 IHAAHM COc1ccc(C(=O)Oc2ccc([C@H]3SC([N-]C(C)=O)=NN3C(C)=O)cc2Cl)cc1 ZINC000020895850 569374960 /nfs/dbraw/zinc/37/49/60/569374960.db2.gz ZOZBQOCWBRGKFE-GOSISDBHSA-N -1 3 447.900 3.569 50 0 IHAAHM Cc1cc(C)c(/C=C/S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCC3)cc2)c(C)c1 ZINC000096137151 569385842 /nfs/dbraw/zinc/38/58/42/569385842.db2.gz SYWAQAPQFJUURG-JLHYYAGUSA-N -1 3 434.583 3.809 50 0 IHAAHM Cc1cc(C)c(/C=C/S(=O)(=O)[N-]c2cccc(S(=O)(=O)N3CCCC3)c2)c(C)c1 ZINC000096137114 569385885 /nfs/dbraw/zinc/38/58/85/569385885.db2.gz KIAQZBYLBPSMEH-FMIVXFBMSA-N -1 3 434.583 3.809 50 0 IHAAHM CC[C@H](C)[C@@H]([N-]S(=O)(=O)Cc1ccccc1)C(=O)Nc1nnc(-c2ccccc2)s1 ZINC000096274230 569388175 /nfs/dbraw/zinc/38/81/75/569388175.db2.gz UTSVNQJAYZEPGR-MAUKXSAKSA-N -1 3 444.582 3.678 50 0 IHAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ccc(N2CCOCC2)cc1 ZINC000003286311 569444153 /nfs/dbraw/zinc/44/41/53/569444153.db2.gz NKNMQMBMXVSTLO-UHFFFAOYSA-N -1 3 445.545 3.988 50 0 IHAAHM CCOc1cc(C=Cc2nc3cc(C(=O)OC)ccc3c(=O)[nH]2)cc(Br)c1[O-] ZINC000058129370 569448147 /nfs/dbraw/zinc/44/81/47/569448147.db2.gz SXERYEUAVLLQOP-QPJJXVBHSA-N -1 3 445.269 3.747 50 0 IHAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCC[C@H]1c1cccnc1 ZINC000031939575 569458435 /nfs/dbraw/zinc/45/84/35/569458435.db2.gz SCVMUTSUPBXZEJ-NRFANRHFSA-N -1 3 425.485 3.999 50 0 IHAAHM CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccccc3)o2)cc1 ZINC000008920222 569486506 /nfs/dbraw/zinc/48/65/06/569486506.db2.gz UIGAPDHEMHSFLF-UHFFFAOYSA-N -1 3 448.504 3.738 50 0 IHAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cc(-c3ccccc3)nn1-c1ccccc1)C2=O ZINC000008965881 569491539 /nfs/dbraw/zinc/49/15/39/569491539.db2.gz XWPVCMMDZIFNPJ-UHFFFAOYSA-N -1 3 443.507 3.685 50 0 IHAAHM COc1ccc(N2C(=O)[C@H]3C(=C2[O-])ON(c2ccc(OC)cc2)[C@@H]3c2ccccc2)cc1 ZINC000009019669 569496875 /nfs/dbraw/zinc/49/68/75/569496875.db2.gz MRIXZMITUCEVGP-DNVJHFABSA-N -1 3 430.460 3.755 50 0 IHAAHM CCOc1cccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4[O-])n[nH]c3C(=O)N2CCO)c1 ZINC000009293064 569520133 /nfs/dbraw/zinc/52/01/33/569520133.db2.gz BUSJYWJSGIGCAU-OAQYLSRUSA-N -1 3 427.888 3.680 50 0 IHAAHM CCOc1cc2c(cc1CNC(=O)CSc1n[n-]c(-c3cccs3)n1)O[C@@H](C)C2 ZINC000009366578 569526273 /nfs/dbraw/zinc/52/62/73/569526273.db2.gz BNXQGTXGENLJSA-LBPRGKRZSA-N -1 3 430.555 3.664 50 0 IHAAHM O=C(CSc1nnc([N-]C(=O)c2c(F)cccc2Cl)s1)Nc1nccs1 ZINC000009368147 569526598 /nfs/dbraw/zinc/52/65/98/569526598.db2.gz HNBWZIVIXIQHGJ-UHFFFAOYSA-N -1 3 429.911 3.770 50 0 IHAAHM CCOc1ccccc1[C@H]1CC(c2ccccc2[N-]S(C)(=O)=O)=NN1C(=O)C(C)C ZINC000009378574 569527674 /nfs/dbraw/zinc/52/76/74/569527674.db2.gz OOGFJWVBUMWZSB-HXUWFJFHSA-N -1 3 429.542 3.791 50 0 IHAAHM COc1ccccc1-n1c(=O)c2cn[n-]c2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009490157 569540081 /nfs/dbraw/zinc/54/00/81/569540081.db2.gz BLQNUVHDSUPHOX-UHFFFAOYSA-N -1 3 441.900 3.502 50 0 IHAAHM COc1ccccc1-n1c(=O)c2c[n-]nc2nc1SCC(=O)Nc1ccc(Cl)cc1 ZINC000009490157 569540082 /nfs/dbraw/zinc/54/00/82/569540082.db2.gz BLQNUVHDSUPHOX-UHFFFAOYSA-N -1 3 441.900 3.502 50 0 IHAAHM COc1ccc2c(CNCc3cc(Br)ccc3OC)c(C(=O)[O-])n(C)c2c1 ZINC000009532769 569545372 /nfs/dbraw/zinc/54/53/72/569545372.db2.gz HMHBPHBMPIAKTJ-UHFFFAOYSA-N -1 3 433.302 3.946 50 0 IHAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(N3CCCS3(=O)=O)c2)c(C)c1 ZINC000009569133 569547613 /nfs/dbraw/zinc/54/76/13/569547613.db2.gz NNCKLWCBHSEHTG-UHFFFAOYSA-N -1 3 428.963 3.606 50 0 IHAAHM C[C@@H]1CCc2c(sc(NC(=O)CSc3n[n-]c(-c4cccs4)n3)c2C(N)=O)C1 ZINC000009669639 569558118 /nfs/dbraw/zinc/55/81/18/569558118.db2.gz MHIXOGYBLVBKIQ-SECBINFHSA-N -1 3 433.584 3.549 50 0 IHAAHM CCOc1ccc(NC(=O)CSc2nc3c(cnn3-c3ccc(F)cc3)c(=O)[n-]2)cc1 ZINC000009704212 569561445 /nfs/dbraw/zinc/56/14/45/569561445.db2.gz POAIBLRPTVXWOF-UHFFFAOYSA-N -1 3 439.472 3.790 50 0 IHAAHM O=C(c1ccc(I)cc1)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000009730685 569564487 /nfs/dbraw/zinc/56/44/87/569564487.db2.gz WCTRGUYOHRBUIC-FZMZJTMJSA-N -1 3 438.187 3.544 50 0 IHAAHM C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010292882 569580509 /nfs/dbraw/zinc/58/05/09/569580509.db2.gz TUUOARPHCFZPMZ-CQSZACIVSA-N -1 3 447.329 3.799 50 0 IHAAHM CCCCC(=O)NC1(C(=O)NCc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CCCC1 ZINC000067665085 574415413 /nfs/dbraw/zinc/41/54/13/574415413.db2.gz PAKGYCNZUGIDHV-UHFFFAOYSA-N -1 3 446.555 3.769 50 0 endogenous,world IHAAHM CCCCC(=O)NC1(C(=O)NCc2ccc(-c3ccccc3-c3nn[n-]n3)cc2)CCCC1 ZINC000067665085 574415414 /nfs/dbraw/zinc/41/54/14/574415414.db2.gz PAKGYCNZUGIDHV-UHFFFAOYSA-N -1 3 446.555 3.769 50 0 endogenous,world IHAAHM