smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccsc1CNc1cccc(C(=O)NCc2cc(=O)[n-]cn2)c1 ZINC000023506553 727847064 /nfs/dbraw/zinc/84/70/64/727847064.db2.gz GOTTUYVSKMRWIU-UHFFFAOYSA-N -1 3 354.435 2.682 50 0 FFAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(OC)c(OC)c2)N1 ZINC000001436972 204007160 /nfs/dbraw/zinc/00/71/60/204007160.db2.gz OQIYDBGLTUUGFK-MRXNPFEDSA-N -1 3 374.359 2.886 50 0 FFAAHM O=C(Nc1ccc(Cl)cc1)[C@@H]1C=C([O-])NC(N2CCc3ccccc32)=N1 ZINC000002347531 204034909 /nfs/dbraw/zinc/03/49/09/204034909.db2.gz CHWUCDJNMZGSDB-HNNXBMFYSA-N -1 3 368.824 2.586 50 0 FFAAHM CCN(C(=O)OC(C)C)c1ccc([C@@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000003118565 204078764 /nfs/dbraw/zinc/07/87/64/204078764.db2.gz ADVQUVOMBZIUET-OAHLLOKOSA-N -1 3 363.332 2.981 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)NC1CCCCC1 ZINC000002665245 204051202 /nfs/dbraw/zinc/05/12/02/204051202.db2.gz OILVBEZMOPXKBG-INIZCTEOSA-N -1 3 356.463 2.578 50 0 FFAAHM CCOC(=O)[C@@]([O-])(CC(=O)Nc1cccc(Cl)c1C)C(F)(F)F ZINC000002770574 204056178 /nfs/dbraw/zinc/05/61/78/204056178.db2.gz NJDHTNOBLSJEFC-ZDUSSCGKSA-N -1 3 353.724 2.834 50 0 FFAAHM O=C1N[C@H](c2cccs2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004183805 204125720 /nfs/dbraw/zinc/12/57/20/204125720.db2.gz VTKDNOOWBIARLM-LALPHHSUSA-N -1 3 370.352 2.852 50 0 FFAAHM O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1nc[n-]n1 ZINC000004818876 204166651 /nfs/dbraw/zinc/16/66/51/204166651.db2.gz ZJVXLEKVKNUNSH-UHFFFAOYSA-N -1 3 350.201 2.943 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000004304360 204130836 /nfs/dbraw/zinc/13/08/36/204130836.db2.gz QBVFPPZJKYXGGZ-CYBMUJFWSA-N -1 3 356.300 2.870 50 0 FFAAHM CC(C)(C)NC(=O)COc1ccc(CNCc2ccc(C(=O)[O-])cc2)cc1 ZINC000006882427 204279987 /nfs/dbraw/zinc/27/99/87/204279987.db2.gz IFKAJURCIXLFEA-UHFFFAOYSA-N -1 3 370.449 2.968 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000008225309 204322974 /nfs/dbraw/zinc/32/29/74/204322974.db2.gz ZQVMMQZVQGGKBB-SNVBAGLBSA-N -1 3 355.362 2.776 50 0 FFAAHM O=C(Nc1nc2ccccc2[nH]1)c1c[n-]nc1-c1ccc2c(c1)OCCO2 ZINC000008710077 204340432 /nfs/dbraw/zinc/34/04/32/204340432.db2.gz ZISNCYSFOBFJSD-UHFFFAOYSA-N -1 3 361.361 2.977 50 0 FFAAHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N(C)C)c1 ZINC000010091474 204389529 /nfs/dbraw/zinc/38/95/29/204389529.db2.gz RTHXMUJMXCXKGO-ZDUSSCGKSA-N -1 3 374.915 2.991 50 0 FFAAHM CCCCCC[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000027935230 204871544 /nfs/dbraw/zinc/87/15/44/204871544.db2.gz IOESBVLYIHRVMZ-UHFFFAOYSA-N -1 3 353.893 2.602 50 0 FFAAHM Cc1cc([N-]C(=O)COC(=O)c2cc(Br)ccc2F)on1 ZINC000040047260 205051000 /nfs/dbraw/zinc/05/10/00/205051000.db2.gz CZASBKCPPAXVPP-UHFFFAOYSA-N -1 3 357.135 2.680 50 0 FFAAHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3cc(C)ccc3C)n2)c1 ZINC000041153641 205090048 /nfs/dbraw/zinc/09/00/48/205090048.db2.gz WDYMXIOUCOPCJX-UHFFFAOYSA-N -1 3 373.434 2.841 50 0 FFAAHM Cn1ccnc1COc1ccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000058191888 205257686 /nfs/dbraw/zinc/25/76/86/205257686.db2.gz LLLVVMVGSZCKGX-PDGQHHTCSA-N -1 3 359.385 2.810 50 0 FFAAHM CC[C@@H](Nc1cccc(OC)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000065456767 205352745 /nfs/dbraw/zinc/35/27/45/205352745.db2.gz RVPWKBHIGXSVBA-OAHLLOKOSA-N -1 3 352.398 2.705 50 0 FFAAHM CC[C@@H](Nc1cccc(OC)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000065456767 205352749 /nfs/dbraw/zinc/35/27/49/205352749.db2.gz RVPWKBHIGXSVBA-OAHLLOKOSA-N -1 3 352.398 2.705 50 0 FFAAHM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(Cc2cccc(O)c2)CC1 ZINC000077487289 205605675 /nfs/dbraw/zinc/60/56/75/205605675.db2.gz DEUGTFBUWSTWTR-UHFFFAOYSA-N -1 3 367.405 2.925 50 0 FFAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCC[C@@H](C)C3)cs2)no1 ZINC000006680881 206205820 /nfs/dbraw/zinc/20/58/20/206205820.db2.gz IEEPOXJFKOITQN-SNVBAGLBSA-N -1 3 369.468 2.717 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]c2cc(C)ccc2F)ccc1NC(C)=O ZINC000006581144 206202472 /nfs/dbraw/zinc/20/24/72/206202472.db2.gz FVWGCONHEQLKMK-UHFFFAOYSA-N -1 3 352.387 2.902 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NC[C@H](O)c3ccccc3)c(=O)oc12 ZINC000008791264 206216987 /nfs/dbraw/zinc/21/69/87/206216987.db2.gz JGXMCARJBVXXRE-SFHVURJKSA-N -1 3 367.401 2.508 50 0 biogenic FFAAHM Cn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1cc2ccccc2o1 ZINC000013945022 206307880 /nfs/dbraw/zinc/30/78/80/206307880.db2.gz YIDDDOQNBFBJJF-UHFFFAOYSA-N -1 3 373.463 2.539 50 0 FFAAHM CCc1nc(C)c(CC(=O)N(C)Cc2[nH]c3ccccc3c2C)c(=O)[n-]1 ZINC000215701940 206350244 /nfs/dbraw/zinc/35/02/44/206350244.db2.gz ZPBSOBVXCCHSCR-UHFFFAOYSA-N -1 3 352.438 2.632 50 0 FFAAHM Nc1cc(=O)[n-]c(CCNC(=O)c2cccc(-c3ccc(F)cc3)c2)n1 ZINC000219121363 206379799 /nfs/dbraw/zinc/37/97/99/206379799.db2.gz DELJLKGMMXAPDZ-UHFFFAOYSA-N -1 3 352.369 2.543 50 0 FFAAHM COc1cc([C@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc(OC)c1O ZINC000217706093 206365541 /nfs/dbraw/zinc/36/55/41/206365541.db2.gz PATXQPIQJYWQIW-GFCCVEGCSA-N -1 3 358.346 2.759 50 0 biogenic FFAAHM CN1CCCC[C@@H]1CN1CCc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2C1 ZINC000220013575 206397878 /nfs/dbraw/zinc/39/78/78/206397878.db2.gz UDZSMWNKHPDOII-MRXNPFEDSA-N -1 3 354.454 2.617 50 0 FFAAHM O=c1[n-]c(CN2CC[C@@](CO)(Cc3ccc(F)cc3)C2)nc2ccsc21 ZINC000288746164 257223180 /nfs/dbraw/zinc/22/31/80/257223180.db2.gz HULYRDCCCMBZBD-LJQANCHMSA-N -1 3 373.453 2.963 50 0 FFAAHM COc1cccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)c1[O-] ZINC000082139192 132197099 /nfs/dbraw/zinc/19/70/99/132197099.db2.gz STRZTAIHEJBWPM-AWEZNQCLSA-N -1 3 354.406 2.587 50 0 FFAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(N2CCC(C)CC2)n1 ZINC000039383643 136118999 /nfs/dbraw/zinc/11/89/99/136118999.db2.gz LRATXRQSBGURDW-UHFFFAOYSA-N -1 3 368.485 2.762 50 0 FFAAHM Cc1ccc(S(=O)(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000000664351 506226761 /nfs/dbraw/zinc/22/67/61/506226761.db2.gz MUHDVHCUIKCTQV-CYBMUJFWSA-N -1 3 350.362 2.652 50 0 FFAAHM Cc1ccc(=O)n(C(C(=O)NCc2ccco2)=C([O-])c2ccc(F)cc2)c1 ZINC000000819541 506235325 /nfs/dbraw/zinc/23/53/25/506235325.db2.gz NRRHXNFLTZOXJH-GOSISDBHSA-N -1 3 368.364 2.629 50 0 FFAAHM O=S(=O)([N-]C1Cc2ccccc2C1)c1ccc(Br)s1 ZINC000001040243 506246027 /nfs/dbraw/zinc/24/60/27/506246027.db2.gz ZDRRFYGOPJTFIZ-UHFFFAOYSA-N -1 3 358.282 2.956 50 0 FFAAHM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001137506 506249903 /nfs/dbraw/zinc/24/99/03/506249903.db2.gz YUNSPRWXPZHLDR-UHFFFAOYSA-N -1 3 374.871 2.821 50 0 FFAAHM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000001137506 506249912 /nfs/dbraw/zinc/24/99/12/506249912.db2.gz YUNSPRWXPZHLDR-UHFFFAOYSA-N -1 3 374.871 2.821 50 0 FFAAHM CCOC([O-])=NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000032945351 506316584 /nfs/dbraw/zinc/31/65/84/506316584.db2.gz UXPUYZBKBPYXNY-NSHDSACASA-N -1 3 358.394 2.722 50 0 FFAAHM CCOC(=O)[N-]C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3 ZINC000032945351 506316589 /nfs/dbraw/zinc/31/65/89/506316589.db2.gz UXPUYZBKBPYXNY-NSHDSACASA-N -1 3 358.394 2.722 50 0 FFAAHM O=C([N-]c1nnc(Cc2ccc3c(c2)OCO3)o1)c1ccc(F)c(F)c1 ZINC000035588299 506388800 /nfs/dbraw/zinc/38/88/00/506388800.db2.gz JEAGTZSWHJSXHB-UHFFFAOYSA-N -1 3 359.288 2.920 50 0 FFAAHM O=C1C[C@H](C[N-]S(=O)(=O)c2cccs2)CN1c1ccc(Cl)cc1 ZINC000009036703 506677310 /nfs/dbraw/zinc/67/73/10/506677310.db2.gz VOZKIOVAKFQXFC-LLVKDONJSA-N -1 3 370.883 2.733 50 0 FFAAHM COc1cccc(N2CCN(c3nc(-c4ccccc4)cc(=O)[n-]3)CC2)c1 ZINC000009096435 506681945 /nfs/dbraw/zinc/68/19/45/506681945.db2.gz NMGFDUHYAXINFQ-UHFFFAOYSA-N -1 3 362.433 2.772 50 0 FFAAHM CC1(C)COc2ccc([N-]S(=O)(=O)c3ccc(F)cc3)cc2NC1=O ZINC000009173251 506686180 /nfs/dbraw/zinc/68/61/80/506686180.db2.gz XQWHQWUSZDAXIO-UHFFFAOYSA-N -1 3 364.398 2.984 50 0 FFAAHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1CCC(C)C ZINC000009331432 506691174 /nfs/dbraw/zinc/69/11/74/506691174.db2.gz SMNJJWIXQULSQY-UHFFFAOYSA-N -1 3 354.498 2.989 50 0 FFAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)N1CCCCC1 ZINC000016490283 507094413 /nfs/dbraw/zinc/09/44/13/507094413.db2.gz JJEMMMDIOJTDQV-UHFFFAOYSA-N -1 3 374.462 2.879 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000018173513 507143310 /nfs/dbraw/zinc/14/33/10/507143310.db2.gz WCNZWIDVPLBKFT-WBVHZDCISA-N -1 3 367.792 2.663 50 0 FFAAHM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000020713998 507231427 /nfs/dbraw/zinc/23/14/27/507231427.db2.gz YDAHMKZDGQDNDT-HXUWFJFHSA-N -1 3 364.449 2.815 50 0 FFAAHM COC(=O)c1ccc(C(=O)[N-]c2nnc(Cc3ccccc3)s2)nc1 ZINC000024574958 507420601 /nfs/dbraw/zinc/42/06/01/507420601.db2.gz POQFBBMZYSFZKN-UHFFFAOYSA-N -1 3 354.391 2.563 50 0 FFAAHM Cc1ccccc1-c1cccc(C(=O)N2CCc3c(nc(N)[n-]c3=O)C2)c1 ZINC000071775944 507716218 /nfs/dbraw/zinc/71/62/18/507716218.db2.gz WUXOTOMJNNXEHV-UHFFFAOYSA-N -1 3 360.417 2.526 50 0 FFAAHM Cn1ncc(CN2CCC(Oc3ccccc3)(C(=O)[O-])CC2)c1C1CC1 ZINC000072430876 507789759 /nfs/dbraw/zinc/78/97/59/507789759.db2.gz GOOSVAJFMLGNFA-UHFFFAOYSA-N -1 3 355.438 2.796 50 0 FFAAHM O=C(c1cnc(C2CC2)[n-]c1=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072470657 507795527 /nfs/dbraw/zinc/79/55/27/507795527.db2.gz CNZJDYYSZNIPMX-UHFFFAOYSA-N -1 3 368.824 2.981 50 0 FFAAHM CCCCC[N-]S(=O)(=O)c1cc(C(=O)OC)sc1Br ZINC000030287697 507805560 /nfs/dbraw/zinc/80/55/60/507805560.db2.gz NANGRCPAZBYDJI-UHFFFAOYSA-N -1 3 370.290 2.766 50 0 FFAAHM CSc1ccc(CN2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)cc1 ZINC000091595939 507995134 /nfs/dbraw/zinc/99/51/34/507995134.db2.gz MHIIOVFPDOVNHS-UHFFFAOYSA-N -1 3 362.495 2.698 50 0 FFAAHM Cc1ncc(C(=O)NCC[C@]2(c3ccccc3)CCOC(C)(C)C2)c(=O)[n-]1 ZINC000092028443 508034547 /nfs/dbraw/zinc/03/45/47/508034547.db2.gz BJCXSQHOYFAGPU-NRFANRHFSA-N -1 3 369.465 2.725 50 0 FFAAHM COc1ccc(CN2C[C@@H](c3ccccc3OC)[C@H](C(=O)[O-])C2)cc1O ZINC000092065073 508039313 /nfs/dbraw/zinc/03/93/13/508039313.db2.gz WVVKTNCGBVBCGP-JKSUJKDBSA-N -1 3 357.406 2.710 50 0 FFAAHM CCc1ccc(CN2C[C@@H]3c4cccc(OC)c4OC[C@]3(C(=O)[O-])C2)o1 ZINC000095356435 508174760 /nfs/dbraw/zinc/17/47/60/508174760.db2.gz FWNAXYUGKXHWIE-OXQOHEQNSA-N -1 3 357.406 2.913 50 0 FFAAHM CCOc1ccccc1[C@H](C(=O)[O-])N1CCC(C(=O)N2CCCCC2)CC1 ZINC000095357663 508175513 /nfs/dbraw/zinc/17/55/13/508175513.db2.gz CIDUPYXEHONYQI-LJQANCHMSA-N -1 3 374.481 2.936 50 0 FFAAHM CC(C)Cn1cncc1CN1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000095521984 508194524 /nfs/dbraw/zinc/19/45/24/508194524.db2.gz JCKMHVCXZJVIQV-YLJYHZDGSA-N -1 3 355.438 2.602 50 0 FFAAHM Cc1ccccc1N1CCCN([C@H](C(=O)[O-])c2ccc(F)c(CO)c2)CC1 ZINC000095531091 508197039 /nfs/dbraw/zinc/19/70/39/508197039.db2.gz SKKKJFCTLOIBAK-FQEVSTJZSA-N -1 3 372.440 2.964 50 0 FFAAHM Cc1cc(N2CCCC2)nc(C[N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000096120794 508206705 /nfs/dbraw/zinc/20/67/05/508206705.db2.gz LCHPCRGIUVTHSW-UHFFFAOYSA-N -1 3 366.874 2.517 50 0 FFAAHM Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000096396162 508214184 /nfs/dbraw/zinc/21/41/84/508214184.db2.gz QCYVKVWMPGOIPW-LBPRGKRZSA-N -1 3 370.883 2.794 50 0 FFAAHM Cc1ccccc1N1CCCN(C(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000077379220 508307306 /nfs/dbraw/zinc/30/73/06/508307306.db2.gz BDVPJMARVOFROD-UHFFFAOYSA-N -1 3 362.437 2.528 50 0 FFAAHM Cc1ccccc1N1CCCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000077379220 508307309 /nfs/dbraw/zinc/30/73/09/508307309.db2.gz BDVPJMARVOFROD-UHFFFAOYSA-N -1 3 362.437 2.528 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)[C@@H]1CON(C)[C@H]1c1ccccc1F)c1ccccc1 ZINC000248382939 509280931 /nfs/dbraw/zinc/28/09/31/509280931.db2.gz YOTFMCYXWYJHPJ-VHSSKADRSA-N -1 3 364.442 2.793 50 0 FFAAHM CC[N-]S(=O)(=O)c1c(Br)cc(C)cc1Br ZINC000173005446 509345396 /nfs/dbraw/zinc/34/53/96/509345396.db2.gz YYLVYMFRLDLXDQ-UHFFFAOYSA-N -1 3 357.067 2.818 50 0 FFAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 ZINC000227168326 509406518 /nfs/dbraw/zinc/40/65/18/509406518.db2.gz YLDHQURBLNRNLP-SNVBAGLBSA-N -1 3 350.371 2.654 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)C[C@H]2CCCC[C@H]21 ZINC000230159407 509432664 /nfs/dbraw/zinc/43/26/64/509432664.db2.gz CCZXEZBWLPFGQE-HLPPOEQASA-N -1 3 368.474 2.672 50 0 FFAAHM COCc1nc(NC(=O)COc2cccc3c2ccn3CCC(C)C)n[n-]1 ZINC000252489642 509842737 /nfs/dbraw/zinc/84/27/37/509842737.db2.gz JVHGSASBJCPIIT-UHFFFAOYSA-N -1 3 371.441 2.969 50 0 FFAAHM Cc1cc(C)n([C@@H]2CCN(CCC(=O)Nc3ccsc3C(=O)[O-])C2)n1 ZINC000244673970 509863744 /nfs/dbraw/zinc/86/37/44/509863744.db2.gz HZBFEJLPTJQLFV-CYBMUJFWSA-N -1 3 362.455 2.535 50 0 FFAAHM O=C(NCc1ccccc1F)N[C@H]1C[C@@H](c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000253535343 509885489 /nfs/dbraw/zinc/88/54/89/509885489.db2.gz MFRKJMZFJPDMLJ-OKILXGFUSA-N -1 3 356.401 2.944 50 0 FFAAHM Cc1cc(C(=O)NCc2cc3n(n2)CCN(C2CCCCC2)C3)ccc1[O-] ZINC000082170717 524102842 /nfs/dbraw/zinc/10/28/42/524102842.db2.gz ZAIFDAVWCHWXFP-UHFFFAOYSA-N -1 3 368.481 2.975 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]CC2(c3ccc(F)cc3)CCOCC2)o1 ZINC000678616163 989408998 /nfs/dbraw/zinc/40/89/98/989408998.db2.gz VCBVCXLUOLREJB-UHFFFAOYSA-N -1 3 353.415 2.754 50 0 FFAAHM Cn1c2ccc([N-]S(=O)(=O)c3ccccc3)cc2nc1CN1CCCC1 ZINC000020443039 1022581032 /nfs/dbraw/zinc/58/10/32/1022581032.db2.gz RFCFCZAASLOFAL-UHFFFAOYSA-N -1 3 370.478 2.970 50 0 FFAAHM CCOC(=O)[C@]([N-]c1ccccc1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000001879900 204022509 /nfs/dbraw/zinc/02/25/09/204022509.db2.gz IIJMFEFCVNBHJP-INIZCTEOSA-N -1 3 367.327 2.745 50 0 FFAAHM CC(=O)O[C@@H](C(=O)[N-]C(=N)Nc1nc2ccccc2o1)c1ccccc1 ZINC000002283376 204031314 /nfs/dbraw/zinc/03/13/14/204031314.db2.gz BIQULEMGPZBKDC-OAHLLOKOSA-N -1 3 352.350 2.595 50 0 FFAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000002764719 204056150 /nfs/dbraw/zinc/05/61/50/204056150.db2.gz YNPLACAHMXLMFE-NSHDSACASA-N -1 3 360.115 2.788 50 0 FFAAHM C/C=C/COC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000004189549 204127975 /nfs/dbraw/zinc/12/79/75/204127975.db2.gz ZIACBWRDQIKEGG-NNTXTVRGSA-N -1 3 366.801 2.801 50 0 FFAAHM Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc([O-])cc2)n1 ZINC000003441083 204100803 /nfs/dbraw/zinc/10/08/03/204100803.db2.gz YFENYHMLEVRKCD-UHFFFAOYSA-N -1 3 351.366 2.568 50 0 FFAAHM CCc1nnc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)[n-]2)s1 ZINC000004741979 204159915 /nfs/dbraw/zinc/15/99/15/204159915.db2.gz WESKKOVSESRIFD-MRVPVSSYSA-N -1 3 361.452 2.869 50 0 FFAAHM CCCC[N-]S(=O)(=O)c1ccc(CNC(=O)c2ccccc2)s1 ZINC000004365107 204135926 /nfs/dbraw/zinc/13/59/26/204135926.db2.gz WVSBMHXYAPVGMY-UHFFFAOYSA-N -1 3 352.481 2.757 50 0 FFAAHM COC(=O)c1sc2[n-]c(CN3CCc4ccccc43)nc(=O)c2c1C ZINC000005265995 204199483 /nfs/dbraw/zinc/19/94/83/204199483.db2.gz OKTONEYKIBZJSO-UHFFFAOYSA-N -1 3 355.419 2.642 50 0 FFAAHM O=C(Nc1nccs1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000006227244 204241775 /nfs/dbraw/zinc/24/17/75/204241775.db2.gz OXZYERYJFHKNBM-UHFFFAOYSA-N -1 3 371.418 2.783 50 0 FFAAHM C[C@H](NC(=O)CSc1n[n-]c([C@@H]2CCCO2)n1)c1ccc(F)cc1 ZINC000008993796 204352091 /nfs/dbraw/zinc/35/20/91/204352091.db2.gz SBDDMYBFKFMJRU-GWCFXTLKSA-N -1 3 350.419 2.765 50 0 FFAAHM CCN(CC)C(=O)CSc1n[n-]c(COc2ccc(Cl)cc2)n1 ZINC000008718547 204341568 /nfs/dbraw/zinc/34/15/68/204341568.db2.gz ZXKARTHMJBIKQD-UHFFFAOYSA-N -1 3 354.863 2.998 50 0 FFAAHM CC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)c1 ZINC000036360178 205012339 /nfs/dbraw/zinc/01/23/39/205012339.db2.gz WRBPJGUZDKHVIE-UHFFFAOYSA-N -1 3 356.407 2.632 50 0 FFAAHM CC(C)c1ccc([C@H]2[C@H](S(=O)(=O)[N-]Cc3ccco3)CON2C)cc1 ZINC000037553442 205027762 /nfs/dbraw/zinc/02/77/62/205027762.db2.gz APYCEQYKQURUTQ-MSOLQXFVSA-N -1 3 364.467 2.809 50 0 FFAAHM O=C([N-]c1ccccc1F)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000040086744 205053746 /nfs/dbraw/zinc/05/37/46/205053746.db2.gz CNPICIMTYBFRQN-UHFFFAOYSA-N -1 3 352.387 2.846 50 0 FFAAHM O=C([N-]n1ccc2c(cnc3ccnn32)c1=O)c1ccc(Cl)cc1Cl ZINC000040387616 205068471 /nfs/dbraw/zinc/06/84/71/205068471.db2.gz JUCWWAOGAKBBCY-UHFFFAOYSA-N -1 3 374.187 2.735 50 0 FFAAHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)N(C)C)c1 ZINC000047032843 205141907 /nfs/dbraw/zinc/14/19/07/205141907.db2.gz QJPXHGFXTCBAKE-QGZVFWFLSA-N -1 3 370.421 2.555 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000048332673 205158693 /nfs/dbraw/zinc/15/86/93/205158693.db2.gz FGVRYNFKJMPSQV-UHFFFAOYSA-N -1 3 371.361 2.708 50 0 FFAAHM CC[C@@H](C(=O)NCc1nc(C)cc(=O)[n-]1)n1cc(C(C)=O)c2ccccc21 ZINC000055091016 205205886 /nfs/dbraw/zinc/20/58/86/205205886.db2.gz NWKIRAFJAZJKMQ-INIZCTEOSA-N -1 3 366.421 2.503 50 0 FFAAHM COc1ccc2c(c1)CCN2C(=O)c1c[n-]c2cc(OC)ccc2c1=O ZINC000060471301 205284714 /nfs/dbraw/zinc/28/47/14/205284714.db2.gz HXKQJINCJJYFAO-UHFFFAOYSA-N -1 3 350.374 2.748 50 0 FFAAHM COc1ccc2c(c1)CCN2C(=O)c1cnc2cc(OC)ccc2c1[O-] ZINC000060471301 205284718 /nfs/dbraw/zinc/28/47/18/205284718.db2.gz HXKQJINCJJYFAO-UHFFFAOYSA-N -1 3 350.374 2.748 50 0 FFAAHM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]C3CCCCC3)cc2C1 ZINC000065196154 205323515 /nfs/dbraw/zinc/32/35/15/205323515.db2.gz ONVMDRMODBKKBN-UHFFFAOYSA-N -1 3 356.513 2.654 50 0 FFAAHM O=C([N-]c1ccc(F)c(F)c1)c1nc(-c2cn(-c3ccccc3)nn2)no1 ZINC000065236622 205327170 /nfs/dbraw/zinc/32/71/70/205327170.db2.gz FLXHJAXLCZZGHH-UHFFFAOYSA-N -1 3 368.303 2.848 50 0 FFAAHM O=C(N[C@@H](c1ccncc1)c1ccc(Cl)cc1)c1cc(=O)c([O-])co1 ZINC000067847364 205396108 /nfs/dbraw/zinc/39/61/08/205396108.db2.gz NDKPNOQBFKTKBJ-QGZVFWFLSA-N -1 3 356.765 2.913 50 0 FFAAHM CCOC([O-])=NC(=O)CSc1nnc(Nc2ccccc2OC)s1 ZINC000003494470 206161525 /nfs/dbraw/zinc/16/15/25/206161525.db2.gz AYHDMMPAMWKDHR-UHFFFAOYSA-N -1 3 368.440 2.655 50 0 FFAAHM CCOC(=O)[N-]C(=O)CSc1nnc(Nc2ccccc2OC)s1 ZINC000003494470 206161531 /nfs/dbraw/zinc/16/15/31/206161531.db2.gz AYHDMMPAMWKDHR-UHFFFAOYSA-N -1 3 368.440 2.655 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCCO3)c(C)c1 ZINC000008961781 206221378 /nfs/dbraw/zinc/22/13/78/206221378.db2.gz UDJSQHPGVJDMPF-UHFFFAOYSA-N -1 3 360.435 2.535 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](CCO)c1ccccc1 ZINC000206627038 206280105 /nfs/dbraw/zinc/28/01/05/206280105.db2.gz WSAFUBZPHDRNSN-HNNXBMFYSA-N -1 3 367.442 2.669 50 0 FFAAHM Cc1cc([N-]C(=O)COC(=O)/C=C/c2ccc(Br)o2)on1 ZINC000014852017 206312117 /nfs/dbraw/zinc/31/21/17/206312117.db2.gz LPKHSVNSGKXUGY-HWKANZROSA-N -1 3 355.144 2.534 50 0 FFAAHM CC(=O)Nc1nc(C)c(S(=O)(=O)[N-]Cc2ccccc2Cl)s1 ZINC000016623057 206319486 /nfs/dbraw/zinc/31/94/86/206319486.db2.gz HOAYTDXMMWBQRG-UHFFFAOYSA-N -1 3 359.860 2.542 50 0 FFAAHM Cn1c(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)ccc1-c1ccccc1 ZINC000215757744 206350365 /nfs/dbraw/zinc/35/03/65/206350365.db2.gz HLRBSSLXQJSTAC-INIZCTEOSA-N -1 3 362.433 2.795 50 0 FFAAHM CC(C)c1ccc(C(=O)N2CCO[C@H](c3ccnc(N(C)C)n3)C2)c([O-])c1 ZINC000276788307 256130662 /nfs/dbraw/zinc/13/06/62/256130662.db2.gz VIEHQTQGQMNKMT-SFHVURJKSA-N -1 3 370.453 2.585 50 0 FFAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)cc1 ZINC000004347355 132386856 /nfs/dbraw/zinc/38/68/56/132386856.db2.gz WOIWBFMHCCPROZ-UHFFFAOYSA-N -1 3 359.495 2.802 50 0 FFAAHM Cc1cccc(C(=O)N2N=C(c3cccnc3)C[C@@]2(O)C(F)(F)F)c1[O-] ZINC000001207664 506254050 /nfs/dbraw/zinc/25/40/50/506254050.db2.gz LOJYBNBXKNGQCF-MRXNPFEDSA-N -1 3 365.311 2.597 50 0 FFAAHM COc1ccc(CCC(=O)OCC(=O)Nc2ccccc2[O-])cc1OC ZINC000032933399 506314927 /nfs/dbraw/zinc/31/49/27/506314927.db2.gz QJPKFWKURRCZCI-UHFFFAOYSA-N -1 3 359.378 2.524 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(F)c(F)c1 ZINC000012777726 506900404 /nfs/dbraw/zinc/90/04/04/506900404.db2.gz SGFQDIUDDABVQL-MRVPVSSYSA-N -1 3 353.394 2.829 50 0 FFAAHM Cc1ccc(CN2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000012891165 506912228 /nfs/dbraw/zinc/91/22/28/506912228.db2.gz FOOWCFGLAFFMNT-UHFFFAOYSA-N -1 3 350.509 2.999 50 0 FFAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3C[C@H](C)C[C@@H](C)C3)nc2n1 ZINC000014354395 506986932 /nfs/dbraw/zinc/98/69/32/506986932.db2.gz RUKVRZKHSPFYCP-GHMZBOCLSA-N -1 3 360.483 2.944 50 0 FFAAHM O=C(CS(=O)(=O)C=C([O-])c1ccc(F)cc1)Nc1ccc(Cl)cc1 ZINC000019620798 507186377 /nfs/dbraw/zinc/18/63/77/507186377.db2.gz QVJIIAXOMKHSFQ-UHFFFAOYSA-N -1 3 369.801 2.715 50 0 FFAAHM CSC1=NC(=O)C([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)C([O-])=N1 ZINC000020621985 507229591 /nfs/dbraw/zinc/22/95/91/507229591.db2.gz LNZRZJJPIWOBLJ-CYBMUJFWSA-N -1 3 362.842 2.567 50 0 biogenic FFAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@@H]1Cc1cccc(F)c1 ZINC000068629569 507283946 /nfs/dbraw/zinc/28/39/46/507283946.db2.gz YIZUZLYVTFORDL-OAHLLOKOSA-N -1 3 367.380 2.948 50 0 FFAAHM Cc1nc2sc([C@H](c3ccc(C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023156851 507335078 /nfs/dbraw/zinc/33/50/78/507335078.db2.gz UGWGFIHQTVDURG-HNNXBMFYSA-N -1 3 358.467 2.659 50 0 FFAAHM Cc1nc([C@@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc(=O)[n-]1 ZINC000023191721 507337069 /nfs/dbraw/zinc/33/70/69/507337069.db2.gz DPTQAHFSSOALHR-CQSZACIVSA-N -1 3 355.467 2.705 50 0 FFAAHM COc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)ccc1[O-] ZINC000071759781 507711573 /nfs/dbraw/zinc/71/15/73/507711573.db2.gz LKSZQPHYEMVEKG-MRXNPFEDSA-N -1 3 360.454 2.510 50 0 FFAAHM COc1cccc(CN2CCC[C@@H]([N-]S(=O)(=O)c3cccs3)C2)c1 ZINC000072157542 507764096 /nfs/dbraw/zinc/76/40/96/507764096.db2.gz XSLRSYGDBRZQKW-OAHLLOKOSA-N -1 3 366.508 2.700 50 0 FFAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@@H]1c1ccccn1 ZINC000072421351 507787800 /nfs/dbraw/zinc/78/78/00/507787800.db2.gz VZOZSOSXJMYOLY-QGZVFWFLSA-N -1 3 364.405 2.505 50 0 FFAAHM Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)ccc1[O-] ZINC000091550882 507992299 /nfs/dbraw/zinc/99/22/99/507992299.db2.gz LNRMFCJATXZFQQ-PKOBYXMFSA-N -1 3 351.450 2.832 50 0 FFAAHM O=C([O-])c1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1cccnc1)C2 ZINC000091587031 507993766 /nfs/dbraw/zinc/99/37/66/507993766.db2.gz KLTQDNRXNFHNRE-CRAIPNDOSA-N -1 3 365.433 2.516 50 0 FFAAHM CC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000091713975 508005195 /nfs/dbraw/zinc/00/51/95/508005195.db2.gz PLWANEFWGNRNPX-HXUWFJFHSA-N -1 3 358.482 2.753 50 0 FFAAHM COc1cccc([C@@H]2CN(Cc3ccc4c(c3)OCO4)C[C@H]2C(=O)[O-])c1 ZINC000091896480 508022583 /nfs/dbraw/zinc/02/25/83/508022583.db2.gz AOPSLFBKFGHEFP-DLBZAZTESA-N -1 3 355.390 2.724 50 0 FFAAHM Cc1cc(C)cc(N2CC[C@@H]([N-]S(=O)(=O)c3ccccc3F)C2=O)c1 ZINC000075524108 508113827 /nfs/dbraw/zinc/11/38/27/508113827.db2.gz WNFCQXWVOXNHBB-MRXNPFEDSA-N -1 3 362.426 2.526 50 0 FFAAHM COc1ccc(OC)c([C@@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)c1 ZINC000095367285 508177806 /nfs/dbraw/zinc/17/78/06/508177806.db2.gz UONXXFVTSAHCAU-IBGZPJMESA-N -1 3 371.433 2.813 50 0 FFAAHM O=C([O-])c1ccccc1CN1C[C@H]2CC[C@@H]1CN(C(=O)c1ccncc1)C2 ZINC000095376638 508179959 /nfs/dbraw/zinc/17/99/59/508179959.db2.gz FCDHLCIRBKCXIQ-CRAIPNDOSA-N -1 3 365.433 2.516 50 0 FFAAHM CN(Cc1ccc2nsnc2c1)[C@@H](C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000095384281 508182155 /nfs/dbraw/zinc/18/21/55/508182155.db2.gz BUTAHAKAFOCHQN-QGZVFWFLSA-N -1 3 371.418 2.720 50 0 FFAAHM Cc1cccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c1F ZINC000095503446 508191013 /nfs/dbraw/zinc/19/10/13/508191013.db2.gz YCQXYFMYRAYYEK-IBGZPJMESA-N -1 3 357.429 2.863 50 0 FFAAHM CCc1nccn1CCCNc1nc2c(c(=O)[n-]1)Cc1ccccc1OC2 ZINC000095502831 508191354 /nfs/dbraw/zinc/19/13/54/508191354.db2.gz SIJWXFDKOJNNHU-UHFFFAOYSA-N -1 3 365.437 2.514 50 0 FFAAHM O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)OC/C=C/c1ccccc1 ZINC000096499509 508214512 /nfs/dbraw/zinc/21/45/12/508214512.db2.gz GWLIVOLKSFHHBC-HMHGSNSKSA-N -1 3 357.431 2.833 50 0 FFAAHM COCCN(Cc1ccc(C)s1)C(=O)c1ccccc1-c1nnn[n-]1 ZINC000097172898 508220727 /nfs/dbraw/zinc/22/07/27/508220727.db2.gz SCGDTJONHCKULE-UHFFFAOYSA-N -1 3 357.439 2.525 50 0 FFAAHM COCCN(Cc1ccc(C)s1)C(=O)c1ccccc1-c1nn[n-]n1 ZINC000097172898 508220728 /nfs/dbraw/zinc/22/07/28/508220728.db2.gz SCGDTJONHCKULE-UHFFFAOYSA-N -1 3 357.439 2.525 50 0 FFAAHM CCN(C[C@@H](O)c1cccc(O)c1)C(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000097570900 508226675 /nfs/dbraw/zinc/22/66/75/508226675.db2.gz LXCRAFOBMYFGKM-QGZVFWFLSA-N -1 3 370.380 2.569 50 0 FFAAHM C[C@@H]1C=CC[C@H]2C(=O)N([N-]C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000100398428 508239373 /nfs/dbraw/zinc/23/93/73/508239373.db2.gz MDEGNVHESXQNCJ-ZDSQKVDBSA-N -1 3 353.205 2.835 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](O)c1csc2ccccc12 ZINC000225695625 509384128 /nfs/dbraw/zinc/38/41/28/509384128.db2.gz QBHIPXKEAXJTDA-CYBMUJFWSA-N -1 3 352.437 2.518 50 0 FFAAHM COCc1nc(NC(=O)COc2cccc3c2ccn3CC(C)C)n[n-]1 ZINC000252491700 509842186 /nfs/dbraw/zinc/84/21/86/509842186.db2.gz LRBREVITSBCPJE-UHFFFAOYSA-N -1 3 357.414 2.579 50 0 FFAAHM CO[C@H](C[N-]S(=O)(=O)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000244975078 509877443 /nfs/dbraw/zinc/87/74/43/509877443.db2.gz IAOZNOPNVLAYND-CYBMUJFWSA-N -1 3 351.346 2.992 50 0 FFAAHM C[C@H](c1cc(-c2ccccc2)n[nH]1)N(C)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000253537380 509887789 /nfs/dbraw/zinc/88/77/89/509887789.db2.gz SYRIDYLFFCOATM-GFCCVEGCSA-N -1 3 363.425 2.652 50 0 FFAAHM Cc1ncsc1CCS(=O)(=O)c1nnc(CCC2CCCC2)[n-]1 ZINC000177509201 510104717 /nfs/dbraw/zinc/10/47/17/510104717.db2.gz WDFOAVZOIZBLSE-UHFFFAOYSA-N -1 3 354.501 2.709 50 0 FFAAHM Cc1ncsc1CCS(=O)(=O)c1nc(CCC2CCCC2)n[n-]1 ZINC000177509201 510104727 /nfs/dbraw/zinc/10/47/27/510104727.db2.gz WDFOAVZOIZBLSE-UHFFFAOYSA-N -1 3 354.501 2.709 50 0 FFAAHM CCOC(C(=O)NCc1cc(=O)[n-]cn1)(c1ccccc1)c1ccccc1 ZINC000426551806 513979107 /nfs/dbraw/zinc/97/91/07/513979107.db2.gz MCGISRBOLMVYSJ-UHFFFAOYSA-N -1 3 363.417 2.779 50 0 FFAAHM COc1nnc(-c2ccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)cc2)[n-]1 ZINC000534640079 517976419 /nfs/dbraw/zinc/97/64/19/517976419.db2.gz DEJYHDHVUBEUBW-QGZVFWFLSA-N -1 3 366.421 2.676 50 0 FFAAHM COc1nc(-c2ccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)cc2)n[n-]1 ZINC000534640079 517976428 /nfs/dbraw/zinc/97/64/28/517976428.db2.gz DEJYHDHVUBEUBW-QGZVFWFLSA-N -1 3 366.421 2.676 50 0 FFAAHM COc1n[n-]c(-c2ccc(C(=O)N(C)CC[C@@H](O)c3ccccc3)cc2)n1 ZINC000534640079 517976435 /nfs/dbraw/zinc/97/64/35/517976435.db2.gz DEJYHDHVUBEUBW-QGZVFWFLSA-N -1 3 366.421 2.676 50 0 FFAAHM COc1ccc(CN2CC[C@@](O)(c3ccccc3C)C2)cc1OCC(=O)[O-] ZINC000534675286 517996466 /nfs/dbraw/zinc/99/64/66/517996466.db2.gz CAKDAFKRYNOQGJ-NRFANRHFSA-N -1 3 371.433 2.561 50 0 FFAAHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000606369598 521042507 /nfs/dbraw/zinc/04/25/07/521042507.db2.gz NFTJDGXKLNUOMW-JSGCOSHPSA-N -1 3 358.467 2.581 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000627212 521699519 /nfs/dbraw/zinc/69/95/19/521699519.db2.gz MSYFKEAXXUVIAV-MSOLQXFVSA-N -1 3 359.470 2.658 50 0 FFAAHM O=S(=O)([N-]CCc1csc(-c2ccccn2)n1)c1cccs1 ZINC000019942391 527220251 /nfs/dbraw/zinc/22/02/51/527220251.db2.gz KLOLLVBJHMFXOY-UHFFFAOYSA-N -1 3 351.478 2.788 50 0 FFAAHM Cc1ccc(NC(=O)Cn2nc3c4cc(F)ccc4[n-]cc-3c2=O)cc1 ZINC000101800963 570823659 /nfs/dbraw/zinc/82/36/59/570823659.db2.gz KMPGSVIJFUNUCY-UHFFFAOYSA-N -1 3 350.353 2.916 50 0 FFAAHM O=C(Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O)Nc1cccc(F)c1 ZINC000101801057 570823853 /nfs/dbraw/zinc/82/38/53/570823853.db2.gz KUSCMDTXGBODEC-UHFFFAOYSA-N -1 3 354.316 2.746 50 0 FFAAHM Cc1ccc(CNC(=O)N2[C@@H]3CC[C@H]2Cc2nc(C)[n-]c(=O)c2C3)cc1 ZINC000675010772 971485677 /nfs/dbraw/zinc/48/56/77/971485677.db2.gz KZDPDRGJICDXQZ-CVEARBPZSA-N -1 3 352.438 2.640 50 0 FFAAHM O=C([O-])COc1ccc(CN2CCCN(Cc3cccs3)CC2)cc1 ZINC001506397691 1059489591 /nfs/dbraw/zinc/48/95/91/1059489591.db2.gz XSEGIVNRAVTZGP-UHFFFAOYSA-N -1 3 360.479 2.919 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 ZINC000001049488 219358426 /nfs/dbraw/zinc/35/84/26/219358426.db2.gz NJFYFUVXDNKJBB-SECBINFHSA-N -1 3 365.282 2.719 50 0 FFAAHM COC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000001124165 219375047 /nfs/dbraw/zinc/37/50/47/219375047.db2.gz ZQXHVZDFBQLNBA-UHFFFAOYSA-N -1 3 355.799 2.693 50 0 FFAAHM O=S(=O)(Cc1cccc(Br)c1)c1nc2ncccc2[n-]1 ZINC000002504098 204042530 /nfs/dbraw/zinc/04/25/30/204042530.db2.gz GHWLVCIBSZURNO-UHFFFAOYSA-N -1 3 352.213 2.694 50 0 FFAAHM O=S(=O)(Cc1cccc(Br)c1)c1nc2cccnc2[n-]1 ZINC000002504098 204042533 /nfs/dbraw/zinc/04/25/33/204042533.db2.gz GHWLVCIBSZURNO-UHFFFAOYSA-N -1 3 352.213 2.694 50 0 FFAAHM O=S(=O)(Cc1cccc(Br)c1)c1nc2ccc[n-]c-2n1 ZINC000002504098 204042537 /nfs/dbraw/zinc/04/25/37/204042537.db2.gz GHWLVCIBSZURNO-UHFFFAOYSA-N -1 3 352.213 2.694 50 0 FFAAHM O=S(=O)(Cc1ccc(Br)cc1)c1nc2ncccc2[n-]1 ZINC000002504037 204042749 /nfs/dbraw/zinc/04/27/49/204042749.db2.gz AJHOYXWMKAAITK-UHFFFAOYSA-N -1 3 352.213 2.694 50 0 FFAAHM O=S(=O)(Cc1ccc(Br)cc1)c1nc2cccnc2[n-]1 ZINC000002504037 204042751 /nfs/dbraw/zinc/04/27/51/204042751.db2.gz AJHOYXWMKAAITK-UHFFFAOYSA-N -1 3 352.213 2.694 50 0 FFAAHM O=S(=O)(Cc1ccc(Br)cc1)c1nc2ccc[n-]c-2n1 ZINC000002504037 204042754 /nfs/dbraw/zinc/04/27/54/204042754.db2.gz AJHOYXWMKAAITK-UHFFFAOYSA-N -1 3 352.213 2.694 50 0 FFAAHM CC(C)(C)OC(=O)C(=O)N1NC(C2CCCCC2)=C[C@]1([O-])C(F)(F)F ZINC000004009291 204117775 /nfs/dbraw/zinc/11/77/75/204117775.db2.gz LLVNCNWXGASCCO-HNNXBMFYSA-N -1 3 364.364 2.748 50 0 FFAAHM Cc1cccc2sc(NC(=O)C[N-]S(=O)(=O)c3cccs3)nc21 ZINC000004758001 204162256 /nfs/dbraw/zinc/16/22/56/204162256.db2.gz WEBVJYSWMVKMFV-UHFFFAOYSA-N -1 3 367.477 2.583 50 0 FFAAHM O=C(CO[N-]C(=O)C12CC3CC(CC(C3)C1)C2)N1CCc2ccccc21 ZINC000006049181 204234558 /nfs/dbraw/zinc/23/45/58/204234558.db2.gz YJRRYEFCHBZPML-UHFFFAOYSA-N -1 3 354.450 2.840 50 0 FFAAHM COc1ccc(C(=O)[N-]C(=O)CSc2nc3cc(C)ccc3[nH]2)cc1 ZINC000006506724 204251153 /nfs/dbraw/zinc/25/11/53/204251153.db2.gz VYZAHRKJGLPCBM-UHFFFAOYSA-N -1 3 355.419 2.929 50 0 FFAAHM COc1ccc(C(=O)[N-]C(=O)CSc2nc3ccc(C)cc3[nH]2)cc1 ZINC000006506724 204251157 /nfs/dbraw/zinc/25/11/57/204251157.db2.gz VYZAHRKJGLPCBM-UHFFFAOYSA-N -1 3 355.419 2.929 50 0 FFAAHM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000007051839 204288150 /nfs/dbraw/zinc/28/81/50/204288150.db2.gz LZORMIJZQXRTFA-CYBMUJFWSA-N -1 3 357.439 2.977 50 0 FFAAHM C[C@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008164358 204320903 /nfs/dbraw/zinc/32/09/03/204320903.db2.gz COOLRVOXXOBWQC-ZDUSSCGKSA-N -1 3 359.393 2.543 50 0 FFAAHM C[C@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008164358 204320906 /nfs/dbraw/zinc/32/09/06/204320906.db2.gz COOLRVOXXOBWQC-ZDUSSCGKSA-N -1 3 359.393 2.543 50 0 FFAAHM C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccco1 ZINC000008314765 204326276 /nfs/dbraw/zinc/32/62/76/204326276.db2.gz FPUPCXDZKNZRBA-JTQLQIEISA-N -1 3 368.842 2.865 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N1 ZINC000008550600 204334186 /nfs/dbraw/zinc/33/41/86/204334186.db2.gz RIDWIDIGPJSETJ-HNNXBMFYSA-N -1 3 352.316 2.858 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N[C@H]2CCSc3c(F)cccc32)c(=O)[n-]1 ZINC000008774745 204345385 /nfs/dbraw/zinc/34/53/85/204345385.db2.gz VMGBDYZVKXXGKZ-HNNXBMFYSA-N -1 3 361.442 2.812 50 0 FFAAHM O=C(CSc1ncnc2sc3c(c21)CCC3)[N-]C(=O)c1ccco1 ZINC000008937264 204348514 /nfs/dbraw/zinc/34/85/14/204348514.db2.gz SEOKUBMFWHYYIX-UHFFFAOYSA-N -1 3 359.432 2.822 50 0 FFAAHM C[C@@H](NC(=O)CSc1n[n-]c([C@H]2CCCO2)n1)c1ccc(F)cc1 ZINC000008993806 204351473 /nfs/dbraw/zinc/35/14/73/204351473.db2.gz SBDDMYBFKFMJRU-ZWNOBZJWSA-N -1 3 350.419 2.765 50 0 FFAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1c1ccccc1 ZINC000009957392 204387179 /nfs/dbraw/zinc/38/71/79/204387179.db2.gz PRAWVQIIFDWAOG-GOSISDBHSA-N -1 3 363.417 2.856 50 0 FFAAHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1ccccc1F)c1ccccc1F ZINC000012530084 204471172 /nfs/dbraw/zinc/47/11/72/204471172.db2.gz ATAODCKGQQYCNC-INIZCTEOSA-N -1 3 363.389 2.766 50 0 FFAAHM CCn1cc(C(=O)Nc2cccc([O-])c2)c(=O)c2cc3c(cc21)OCO3 ZINC000013692937 204545449 /nfs/dbraw/zinc/54/54/49/204545449.db2.gz ZVYVHNYMAPNALA-UHFFFAOYSA-N -1 3 352.346 2.708 50 0 FFAAHM CCCC12CN3CC(C)(CN(C1)C3c1ccc([O-])c3ncccc13)C2=O ZINC000079190475 205057631 /nfs/dbraw/zinc/05/76/31/205057631.db2.gz AGVIXYHDRNNREF-UHFFFAOYSA-N -1 3 351.450 2.946 50 0 biogenic FFAAHM CCC12CN3CC(CC)(CN(C1)C3c1ccc([O-])c3ncccc13)C2=O ZINC000079193166 205060148 /nfs/dbraw/zinc/06/01/48/205060148.db2.gz VXRPCYVRTQQWQM-UHFFFAOYSA-N -1 3 351.450 2.946 50 0 biogenic FFAAHM O=S(=O)([N-]C[C@@]1(O)CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000085560327 205172853 /nfs/dbraw/zinc/17/28/53/205172853.db2.gz SRZLZELKWRTCKS-OAHLLOKOSA-N -1 3 357.884 2.600 50 0 FFAAHM CCc1ccc([O-])c(C(=O)N2CCC(C(=O)Nc3cc(C)on3)CC2)c1 ZINC000058226711 205265697 /nfs/dbraw/zinc/26/56/97/205265697.db2.gz VSSWGWDJLYHHBT-UHFFFAOYSA-N -1 3 357.410 2.742 50 0 FFAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1ccc(F)cc1F ZINC000047031874 206080278 /nfs/dbraw/zinc/08/02/78/206080278.db2.gz ONOVYLPZZWHNBK-AWEZNQCLSA-N -1 3 356.394 2.673 50 0 FFAAHM CCC[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000002144142 206229740 /nfs/dbraw/zinc/22/97/40/206229740.db2.gz SMFLXMLYZPBIPI-UHFFFAOYSA-N -1 3 359.616 2.633 50 0 FFAAHM Cn1c(C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)cc2c1cccc2Cl ZINC000216322647 206358443 /nfs/dbraw/zinc/35/84/43/206358443.db2.gz HIHRLBDBUPXXLM-GFCCVEGCSA-N -1 3 370.840 2.935 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1ccnc(-c2cccnc2)c1 ZINC000225641404 206490388 /nfs/dbraw/zinc/49/03/88/206490388.db2.gz BLAFKDYUPQQWOD-UHFFFAOYSA-N -1 3 373.409 2.770 50 0 FFAAHM Cn1ncc2c1nc(CN1CCc3[nH]c4ccc(Cl)cc4c3C1)[n-]c2=O ZINC000253536862 206586223 /nfs/dbraw/zinc/58/62/23/206586223.db2.gz QFLUCSRUCRLKID-UHFFFAOYSA-N -1 3 368.828 2.762 50 0 FFAAHM O=C([O-])CN1CCN(c2ccc(Br)cc2C(F)(F)F)CC1 ZINC000096630439 132305072 /nfs/dbraw/zinc/30/50/72/132305072.db2.gz JKSMPBOCVQTNSB-UHFFFAOYSA-N -1 3 367.165 2.675 50 0 FFAAHM C[C@H]1CN(c2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc2)C[C@H](C)O1 ZINC000058216728 136131044 /nfs/dbraw/zinc/13/10/44/136131044.db2.gz GOPBCJRYLAZBED-STQMWFEESA-N -1 3 351.410 2.824 50 0 FFAAHM O=c1cc([C@@H]2CCCN(c3cc(-c4ccccc4)nc4ccnn43)C2)nc[n-]1 ZINC000072161521 136143331 /nfs/dbraw/zinc/14/33/31/136143331.db2.gz WRZRJWXCDMAGRE-MRXNPFEDSA-N -1 3 372.432 2.864 50 0 FFAAHM O=C(NCCN1CCCOC1=O)c1cccc(-c2cc(F)ccc2[O-])c1 ZINC000426584134 263639648 /nfs/dbraw/zinc/63/96/48/263639648.db2.gz ULRINTWCRPYPEQ-UHFFFAOYSA-N -1 3 358.369 2.770 50 0 FFAAHM COc1ccccc1OCC[N-]S(=O)(=O)c1cccc(Cl)c1F ZINC000032414146 506252076 /nfs/dbraw/zinc/25/20/76/506252076.db2.gz CDJLWKVIQMQJBO-UHFFFAOYSA-N -1 3 359.806 2.845 50 0 FFAAHM Cc1nc(C[N-]S(=O)(=O)c2ccccc2OC(F)(F)F)cs1 ZINC000032937666 506316706 /nfs/dbraw/zinc/31/67/06/506316706.db2.gz DEOVOSSWOPQVIH-UHFFFAOYSA-N -1 3 352.359 2.829 50 0 FFAAHM COc1ccc2c(c1)n(C)c(C(=O)[O-])c2CNCc1ccc2c(c1)OCO2 ZINC000006794922 506507384 /nfs/dbraw/zinc/50/73/84/506507384.db2.gz JACUQFHUQHJYPK-UHFFFAOYSA-N -1 3 368.389 2.904 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1nc(-c2ccccn2)cs1 ZINC000011811476 506795177 /nfs/dbraw/zinc/79/51/77/506795177.db2.gz XOYWZCFKMAYUTJ-UHFFFAOYSA-N -1 3 373.463 2.831 50 0 FFAAHM O=C(NCCN1C(=O)S/C(=C\c2ccccc2)C1=O)c1ccccc1[O-] ZINC000012971498 506920061 /nfs/dbraw/zinc/92/00/61/506920061.db2.gz IMXKAHONFZQZEA-VBKFSLOCSA-N -1 3 368.414 2.859 50 0 FFAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)NCc3ccccc3)nc2n1 ZINC000013126107 506928948 /nfs/dbraw/zinc/92/89/48/506928948.db2.gz LWFCKAMYHRHYHA-UHFFFAOYSA-N -1 3 354.435 2.756 50 0 FFAAHM O=S(=O)([N-]CCc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 ZINC000014199319 506978145 /nfs/dbraw/zinc/97/81/45/506978145.db2.gz YXTSJNQGHWUIMU-UHFFFAOYSA-N -1 3 363.389 2.672 50 0 FFAAHM Cc1cc(CN2C(=O)c3ccccc3C2=O)cc(C(=O)NC(C)C)c1[O-] ZINC000017300383 507121517 /nfs/dbraw/zinc/12/15/17/507121517.db2.gz NAVHKDJZMYITFG-UHFFFAOYSA-N -1 3 352.390 2.635 50 0 FFAAHM Cc1noc(C)c1C(=O)[N-]c1c2ccccc2oc1C(=O)N1CCOCC1 ZINC000018948370 507152946 /nfs/dbraw/zinc/15/29/46/507152946.db2.gz KYPGCYSNVNRQOP-UHFFFAOYSA-N -1 3 369.377 2.762 50 0 FFAAHM Cc1sc2[n-]c(CN3CCN(C)CC3)nc(=O)c2c1-c1ccccc1 ZINC000019926613 507204796 /nfs/dbraw/zinc/20/47/96/507204796.db2.gz XPUBLEUJEVKZMN-UHFFFAOYSA-N -1 3 354.479 2.707 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2cccnc2)CC1 ZINC000020717680 507231904 /nfs/dbraw/zinc/23/19/04/507231904.db2.gz CELYUQWTBRBLKJ-LJQANCHMSA-N -1 3 368.412 2.646 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(c2ccccn2)CC1 ZINC000020736878 507233636 /nfs/dbraw/zinc/23/36/36/507233636.db2.gz DKSOFQBIQSYIHF-GOSISDBHSA-N -1 3 354.385 2.650 50 0 FFAAHM Cc1nc(-c2cccc(CN3CC(O)C3)c2)[n-]c(=O)c1Cc1ccccc1 ZINC000023145239 507334905 /nfs/dbraw/zinc/33/49/05/507334905.db2.gz KTTZLONHLLFBBO-UHFFFAOYSA-N -1 3 361.445 2.513 50 0 FFAAHM CC1(C)C[C@@]1(C(=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1)c1cccs1 ZINC000023340355 507346977 /nfs/dbraw/zinc/34/69/77/507346977.db2.gz ZYTIXROYPLTAIW-DJJJIMSYSA-N -1 3 357.479 2.905 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cccc(OC(F)F)c1 ZINC000024881637 507445608 /nfs/dbraw/zinc/44/56/08/507445608.db2.gz YMINMBUEFGXZNI-UHFFFAOYSA-N -1 3 356.350 2.912 50 0 FFAAHM COc1ccc2cc([C@H]3CC(=O)Nc4c3c(=O)[n-]n4C(C)C)c(=O)[nH]c2c1 ZINC000071279546 507698508 /nfs/dbraw/zinc/69/85/08/507698508.db2.gz DKRYAWDOUGCXPI-GFCCVEGCSA-N -1 3 368.393 2.731 50 0 FFAAHM Cc1cc(C)c(C)c2occ(CC(=O)N3CCc4c(=O)[n-]cnc4C3)c21 ZINC000071750281 507710204 /nfs/dbraw/zinc/71/02/04/507710204.db2.gz RAXFXVMCARKBBD-UHFFFAOYSA-N -1 3 351.406 2.569 50 0 FFAAHM Cc1c(F)cccc1CN1CCC2(C[C@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072470829 507795560 /nfs/dbraw/zinc/79/55/60/507795560.db2.gz XXSPWEHCFROLKZ-GOSISDBHSA-N -1 3 374.456 2.812 50 0 FFAAHM CC[C@H]1CN(C(=O)c2cnc(-c3ccc(C)cc3)[n-]c2=O)CCN1C(C)C ZINC000091908404 508023688 /nfs/dbraw/zinc/02/36/88/508023688.db2.gz YGFBGKSLBWTQPF-KRWDZBQOSA-N -1 3 368.481 2.690 50 0 FFAAHM Cc1nc(-c2ccncc2)ncc1[C@@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000092107888 508045282 /nfs/dbraw/zinc/04/52/82/508045282.db2.gz VLQIMOMJLBNAIQ-GFCCVEGCSA-N -1 3 359.393 2.609 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000095366077 508177478 /nfs/dbraw/zinc/17/74/78/508177478.db2.gz VCCMKJLZDLRAJA-LJQANCHMSA-N -1 3 371.433 2.813 50 0 FFAAHM Cc1c2cc(C)ccc2oc1CN1CCC2(CC1)[C@@H](C(=O)[O-])CC(=O)N2C ZINC000095374065 508179276 /nfs/dbraw/zinc/17/92/76/508179276.db2.gz AQOLPJMTLCPUEF-MRXNPFEDSA-N -1 3 370.449 2.947 50 0 FFAAHM O=C([O-])COc1ccccc1CN1C[C@H]2CC[C@H](CN2CC2CCC2)C1 ZINC000095380403 508180722 /nfs/dbraw/zinc/18/07/22/508180722.db2.gz YPWNFFHNBWLRAB-PKOBYXMFSA-N -1 3 358.482 2.846 50 0 FFAAHM Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3n[n-]c([C@@H]4CCCO4)n3)c12 ZINC000095475796 508188355 /nfs/dbraw/zinc/18/83/55/508188355.db2.gz GESKAWUZCIHNQN-ZDUSSCGKSA-N -1 3 369.429 2.622 50 0 FFAAHM COc1cccc2c1OC[C@]1(C(=O)[O-])CN(Cc3cccc(F)c3)C[C@H]21 ZINC000095525753 508195542 /nfs/dbraw/zinc/19/55/42/508195542.db2.gz UTXPDZFPPUZUBK-OXQOHEQNSA-N -1 3 357.381 2.897 50 0 FFAAHM CCc1nc(CN(CC(C)C)C(C)=O)[n-]c(=O)c1Cc1ccc(OC)cc1 ZINC000096317683 508213526 /nfs/dbraw/zinc/21/35/26/508213526.db2.gz JDLKQRKDYLSGDN-UHFFFAOYSA-N -1 3 371.481 2.936 50 0 FFAAHM O=c1cc(CN2CCC[C@H](CCc3ccc(F)c(F)c3)C2)nc2[n-]cnn21 ZINC000102440005 508274936 /nfs/dbraw/zinc/27/49/36/508274936.db2.gz YSZYCHAEDZCXTA-CQSZACIVSA-N -1 3 373.407 2.541 50 0 FFAAHM O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000077394087 508310789 /nfs/dbraw/zinc/31/07/89/508310789.db2.gz SWBSWCLDPSMNTD-LLVKDONJSA-N -1 3 356.813 2.924 50 0 FFAAHM COc1cccc(CN2CCC(c3nccn3C)CC2)c1O[C@@H](C)C(=O)[O-] ZINC000215193639 509244372 /nfs/dbraw/zinc/24/43/72/509244372.db2.gz DJKJSQVZEBPWMN-AWEZNQCLSA-N -1 3 373.453 2.660 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]C2CCN(C(=O)C(C)C)CC2)sc1Cl ZINC000252487959 509840751 /nfs/dbraw/zinc/84/07/51/509840751.db2.gz IFUJYOWUGGKDLB-UHFFFAOYSA-N -1 3 364.920 2.635 50 0 FFAAHM O=C([O-])Cn1ccc([C@H]2CCCN(CCCC(=O)c3ccc(F)cc3)C2)n1 ZINC000426674328 514012303 /nfs/dbraw/zinc/01/23/03/514012303.db2.gz RWSJKNOIZHHPNL-INIZCTEOSA-N -1 3 373.428 2.949 50 0 FFAAHM Cc1cccc(OCCN2CCC[C@H](c3ccnn3CC(=O)[O-])C2)c1C ZINC000426746384 514031533 /nfs/dbraw/zinc/03/15/33/514031533.db2.gz ZTDIGVMGGKTLRD-KRWDZBQOSA-N -1 3 357.454 2.843 50 0 FFAAHM O=C(Nc1n[nH]c(C2CCC2)n1)c1cc(=O)c(OCc2ccccc2)c[n-]1 ZINC000524732280 516806873 /nfs/dbraw/zinc/80/68/73/516806873.db2.gz DWBGPSDHXNUBDO-UHFFFAOYSA-N -1 3 365.393 2.592 50 0 FFAAHM CCCCc1nc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c[nH]1 ZINC000091635729 521301802 /nfs/dbraw/zinc/30/18/02/521301802.db2.gz IVJYYVDSZDWHQU-JKSUJKDBSA-N -1 3 371.437 2.781 50 0 FFAAHM CCCCc1ncc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)[nH]1 ZINC000091635729 521301823 /nfs/dbraw/zinc/30/18/23/521301823.db2.gz IVJYYVDSZDWHQU-JKSUJKDBSA-N -1 3 371.437 2.781 50 0 FFAAHM COc1c(C)cnc(CN(C)C(=O)c2c[n-]c3ccccc3c2=O)c1C ZINC000084258007 521810066 /nfs/dbraw/zinc/81/00/66/521810066.db2.gz CGPPFXLSILUUIK-UHFFFAOYSA-N -1 3 351.406 2.821 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]CCC[C@@H](C)CO)sc1Br ZINC000089608801 525407013 /nfs/dbraw/zinc/40/70/13/525407013.db2.gz GIDKGNGBHRSUBQ-MRVPVSSYSA-N -1 3 356.307 2.506 50 0 FFAAHM Cc1nc(C2CCN(C(=O)c3cccc(OC(F)F)c3)CC2)cc(=O)[n-]1 ZINC000082107975 526778869 /nfs/dbraw/zinc/77/88/69/526778869.db2.gz LSGBXXNDCOFQND-UHFFFAOYSA-N -1 3 363.364 2.700 50 0 FFAAHM CC(=O)Nc1ccc2nc(NC(=O)c3ccc4n[n-]nc4c3)sc2c1 ZINC000084796829 571100685 /nfs/dbraw/zinc/10/06/85/571100685.db2.gz GKWWFFOYULJBHT-UHFFFAOYSA-N -1 3 352.379 2.778 50 0 FFAAHM O=C([O-])[C@H]1C[C@@H](NCc2ccc(Cl)o2)[C@@H](n2cc(C3CC3)nn2)C1 ZINC000685942374 571102399 /nfs/dbraw/zinc/10/23/99/571102399.db2.gz RSSSQTXJRYCYAN-SUHUHFCYSA-N -1 3 350.806 2.596 50 0 FFAAHM O=c1[n-]n(CC[C@@H]2NN=C(c3ccccc3)S2)c(=O)c2ccccc12 ZINC000670431815 571345544 /nfs/dbraw/zinc/34/55/44/571345544.db2.gz VABSOJKQBJXGOA-OAHLLOKOSA-N -1 3 352.419 2.517 50 0 FFAAHM Cc1ccc2c(CC(=O)N3CCC[C@H](c4cc(=O)[n-]cn4)C3)coc2c1 ZINC000023214622 967264578 /nfs/dbraw/zinc/26/45/78/967264578.db2.gz VORIYJWHIMQMGA-AWEZNQCLSA-N -1 3 351.406 2.773 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cccc3c4c([nH]c31)CCCC4)C2 ZINC000072165136 1019837014 /nfs/dbraw/zinc/83/70/14/1019837014.db2.gz UFUKUPFCBCRTIN-UHFFFAOYSA-N -1 3 362.433 2.637 50 0 FFAAHM Nc1ccc(S(=O)(=O)[N-]c2ccc(I)cc2)cc1 ZINC000000537958 219305068 /nfs/dbraw/zinc/30/50/68/219305068.db2.gz GNYYVWOTRVNKCO-UHFFFAOYSA-N -1 3 374.203 2.674 50 0 in-vivo FFAAHM O=C(NCCCCCCNC(=O)c1ccccc1O)c1ccccc1[O-] ZINC000002023953 204023223 /nfs/dbraw/zinc/02/32/23/204023223.db2.gz RCZUFIIUHYDLDD-UHFFFAOYSA-N -1 3 356.422 2.818 50 0 FFAAHM CCOC(=O)N[C@@]([N-]c1ccc(Cl)cc1)(C(=O)OC)C(F)(F)F ZINC000002322819 204034220 /nfs/dbraw/zinc/03/42/20/204034220.db2.gz JRICFEZLPKGDFQ-LBPRGKRZSA-N -1 3 354.712 2.930 50 0 FFAAHM O=C(Nc1ccc(Cl)cc1)[C@H]1C=C([O-])NC(N2CCc3ccccc32)=N1 ZINC000002347533 204035288 /nfs/dbraw/zinc/03/52/88/204035288.db2.gz CHWUCDJNMZGSDB-OAHLLOKOSA-N -1 3 368.824 2.586 50 0 FFAAHM COc1cccc(CNC(=O)Cc2c(C)c3ccc([O-])c(C)c3oc2=O)c1 ZINC000004084893 204120820 /nfs/dbraw/zinc/12/08/20/204120820.db2.gz FUQAPVDNNOCNFX-UHFFFAOYSA-N -1 3 367.401 2.983 50 0 biogenic FFAAHM CCOC(=O)c1sc2[n-]c(CN3C[C@@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000003366435 204095217 /nfs/dbraw/zinc/09/52/17/204095217.db2.gz DMGYGUQOTLXYQW-QWRGUYRKSA-N -1 3 363.483 2.948 50 0 FFAAHM CC(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000005613403 204218262 /nfs/dbraw/zinc/21/82/62/204218262.db2.gz XTKAMUGCTADIQP-JFGNBEQYSA-N -1 3 370.249 2.515 50 0 FFAAHM O=S(=O)([N-]N=c1cccc(Cl)[nH]1)c1ccc(Br)cc1 ZINC000006221955 204241347 /nfs/dbraw/zinc/24/13/47/204241347.db2.gz GFFCXCROVPFYDL-UHFFFAOYSA-N -1 3 362.636 2.803 50 0 FFAAHM COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccco2)[n-]1 ZINC000006580304 204254368 /nfs/dbraw/zinc/25/43/68/204254368.db2.gz RRVRFDSVDGIGEI-UHFFFAOYSA-N -1 3 358.379 2.582 50 0 FFAAHM COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccco2)n[n-]1 ZINC000006580304 204254372 /nfs/dbraw/zinc/25/43/72/204254372.db2.gz RRVRFDSVDGIGEI-UHFFFAOYSA-N -1 3 358.379 2.582 50 0 FFAAHM COC(=O)c1ccccc1NC(=O)CSc1n[n-]c(-c2ccco2)n1 ZINC000006580304 204254376 /nfs/dbraw/zinc/25/43/76/204254376.db2.gz RRVRFDSVDGIGEI-UHFFFAOYSA-N -1 3 358.379 2.582 50 0 FFAAHM COc1cc(OC)c(C(=O)[N-]c2nnc(C(F)(F)F)s2)cc1OC ZINC000006735493 204264577 /nfs/dbraw/zinc/26/45/77/204264577.db2.gz OPSJQUIZVXZIIY-UHFFFAOYSA-N -1 3 363.317 2.835 50 0 FFAAHM C[C@@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1cccc(Cl)c1 ZINC000007941991 204311868 /nfs/dbraw/zinc/31/18/68/204311868.db2.gz CSFKVBWGCXIJDX-LLVKDONJSA-N -1 3 357.797 2.633 50 0 FFAAHM CCCCOc1ccc([C@@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)cc1OC ZINC000008769375 204345414 /nfs/dbraw/zinc/34/54/14/204345414.db2.gz HBCJPDRGGYLKGC-ZDUSSCGKSA-N -1 3 357.410 2.740 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCCc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000009452784 204368349 /nfs/dbraw/zinc/36/83/49/204368349.db2.gz SILXJGBAUBSEJE-UHFFFAOYSA-N -1 3 367.371 2.697 50 0 FFAAHM Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccccc1[O-] ZINC000009479137 204369063 /nfs/dbraw/zinc/36/90/63/204369063.db2.gz HQYDHXJJBHSAFR-UHFFFAOYSA-N -1 3 363.211 2.832 50 0 FFAAHM Nc1nnc(SCc2nc(=O)c3c(-c4ccco4)csc3[n-]2)s1 ZINC000009516731 204371799 /nfs/dbraw/zinc/37/17/99/204371799.db2.gz SSNXRSZGCJSHSK-UHFFFAOYSA-N -1 3 363.449 2.971 50 0 FFAAHM COc1cc(N[C@@H](C)C(=O)[N-]c2cc(C)no2)ccc1N1CCCC1=O ZINC000010185363 204392350 /nfs/dbraw/zinc/39/23/50/204392350.db2.gz BBVSVVHZBVLGAJ-LBPRGKRZSA-N -1 3 358.398 2.558 50 0 FFAAHM Cc1nn(C(F)F)cc1S(=O)(=O)[N-]Cc1ccccc1N1CCCC1 ZINC000036614923 205017381 /nfs/dbraw/zinc/01/73/81/205017381.db2.gz HBRHGYYGFHIBQV-UHFFFAOYSA-N -1 3 370.425 2.665 50 0 FFAAHM C[C@@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000040105666 205056251 /nfs/dbraw/zinc/05/62/51/205056251.db2.gz QDVACDWYLPYEFU-SNVBAGLBSA-N -1 3 367.334 2.521 50 0 FFAAHM CCN(CC)CC[N-]S(=O)(=O)c1cc(-c2onc(C)c2C)cs1 ZINC000044900942 205115320 /nfs/dbraw/zinc/11/53/20/205115320.db2.gz QXWLZEFFNCUEMI-UHFFFAOYSA-N -1 3 357.501 2.640 50 0 FFAAHM O=C([N-]c1ccccn1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000045727978 205123738 /nfs/dbraw/zinc/12/37/38/205123738.db2.gz OYBZSUBTASGSNZ-UHFFFAOYSA-N -1 3 351.453 2.570 50 0 FFAAHM CCc1ccc([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)cc1 ZINC000048331770 205157677 /nfs/dbraw/zinc/15/76/77/205157677.db2.gz IZURVWJLBMCJBZ-UHFFFAOYSA-N -1 3 363.435 2.992 50 0 FFAAHM Cc1cc2nc(SCC(=O)N[C@@H](C)CCc3ccccc3)[n-]c(=O)c2[nH]1 ZINC000057521008 205242053 /nfs/dbraw/zinc/24/20/53/205242053.db2.gz WBBFHHITTPEBDL-LBPRGKRZSA-N -1 3 370.478 2.789 50 0 FFAAHM Cc1ccc(F)c(S(=O)(=O)[N-]CCc2nc3c(s2)CCCC3)c1 ZINC000058175004 205254068 /nfs/dbraw/zinc/25/40/68/205254068.db2.gz JLKRBVPRPGOLLZ-UHFFFAOYSA-N -1 3 354.472 2.990 50 0 FFAAHM CC(C)(C)c1cc([N-]C(=O)COc2cc(Cl)ccc2C(N)=O)on1 ZINC000058357898 205273429 /nfs/dbraw/zinc/27/34/29/205273429.db2.gz RFHRJSXCVKSRGY-UHFFFAOYSA-N -1 3 351.790 2.742 50 0 FFAAHM Cn1cc(NC(=O)c2cc(=O)c(OCc3ccccc3Cl)c[n-]2)cn1 ZINC000061719346 205286220 /nfs/dbraw/zinc/28/62/20/205286220.db2.gz ZHFJTZNVZDTBBT-UHFFFAOYSA-N -1 3 358.785 2.593 50 0 FFAAHM O=C1[C@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCN1c1ccccc1 ZINC000065229191 205326937 /nfs/dbraw/zinc/32/69/37/205326937.db2.gz QEWCLAQQYJGGMN-MRXNPFEDSA-N -1 3 364.854 2.565 50 0 FFAAHM CCNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)cc3)ccc21 ZINC000064861492 205307585 /nfs/dbraw/zinc/30/75/85/205307585.db2.gz MFPQDXHDISPUKA-UHFFFAOYSA-N -1 3 359.451 2.888 50 0 FFAAHM O=c1cc(CN2CCc3onc(-c4ccccc4F)c3C2)nc(C2CC2)[n-]1 ZINC000067489950 205372260 /nfs/dbraw/zinc/37/22/60/205372260.db2.gz GHPLVEFBYHZCKB-UHFFFAOYSA-N -1 3 366.396 3.000 50 0 FFAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1cnc3ccccn13)C2 ZINC000067851113 205397335 /nfs/dbraw/zinc/39/73/35/205397335.db2.gz WRKXUHGSBDPXFQ-AWEZNQCLSA-N -1 3 367.453 2.628 50 0 FFAAHM COCCOC1CCN([C@H](C(=O)[O-])c2c(Cl)cccc2OC)CC1 ZINC000095389498 205752181 /nfs/dbraw/zinc/75/21/81/205752181.db2.gz FOGZNRGGSHUYPM-INIZCTEOSA-N -1 3 357.834 2.602 50 0 FFAAHM COC(=O)c1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000005910239 206199238 /nfs/dbraw/zinc/19/92/38/206199238.db2.gz LGZGOHXTBJSWFV-IAGOWNOFSA-N -1 3 350.374 2.643 50 0 FFAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2C1=O ZINC000008961609 206220817 /nfs/dbraw/zinc/22/08/17/206220817.db2.gz SACGMCGMTXAOON-UHFFFAOYSA-N -1 3 360.435 2.650 50 0 FFAAHM COc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@H]2C)ccc1[O-] ZINC000082114865 132195717 /nfs/dbraw/zinc/19/57/17/132195717.db2.gz NMLWOQAXNGXVEI-GFCCVEGCSA-N -1 3 374.824 2.932 50 0 FFAAHM CCOC(=O)C(Sc1nc2sc(C)c(C)c2c(=O)n1CC)=C(C)[O-] ZINC000000642584 506226738 /nfs/dbraw/zinc/22/67/38/506226738.db2.gz LUYRXSZMPCGZIA-GFCCVEGCSA-N -1 3 368.480 2.708 50 0 FFAAHM Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000000645239 506226939 /nfs/dbraw/zinc/22/69/39/506226939.db2.gz YKRWRIZHVJSBLF-UHFFFAOYSA-N -1 3 374.462 2.740 50 0 FFAAHM COc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(OC)c1O ZINC000000754306 506230231 /nfs/dbraw/zinc/23/02/31/506230231.db2.gz SDMYZAFOXJKZSN-PBHICJAKSA-N -1 3 368.389 2.579 50 0 biogenic FFAAHM CCc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1 ZINC000064976552 506246409 /nfs/dbraw/zinc/24/64/09/506246409.db2.gz XHXXJTRTEVWOKR-UHFFFAOYSA-N -1 3 359.451 2.549 50 0 FFAAHM Cc1ccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000032820905 506300565 /nfs/dbraw/zinc/30/05/65/506300565.db2.gz BJGAJLBCXXCNCK-UHFFFAOYSA-N -1 3 368.433 2.957 50 0 FFAAHM Cc1cc(C)n(CCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)n1 ZINC000033327071 506355541 /nfs/dbraw/zinc/35/55/41/506355541.db2.gz AQMLAMLEWFLTQP-DOMZBBRYSA-N -1 3 358.364 2.529 50 0 FFAAHM O=C(c1csc(S(=O)(=O)[N-]Cc2cccs2)c1)N1CCCC1 ZINC000035405105 506381643 /nfs/dbraw/zinc/38/16/43/506381643.db2.gz SXKTYRPFCVDQAE-UHFFFAOYSA-N -1 3 356.494 2.524 50 0 FFAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 ZINC000007055408 506531421 /nfs/dbraw/zinc/53/14/21/506531421.db2.gz XOIONJPCXXDPDE-UHFFFAOYSA-N -1 3 354.378 2.602 50 0 FFAAHM COC(=O)[C@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521396 506701172 /nfs/dbraw/zinc/70/11/72/506701172.db2.gz FKKDGKDZCKAQOC-QMMMGPOBSA-N -1 3 364.814 2.828 50 0 FFAAHM CCN1CCN(c2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)CC1 ZINC000009614649 506705830 /nfs/dbraw/zinc/70/58/30/506705830.db2.gz UGWQJEJUBYVZHO-UHFFFAOYSA-N -1 3 364.902 2.858 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c(C)c1 ZINC000009828166 506713194 /nfs/dbraw/zinc/71/31/94/506713194.db2.gz UJXFLAQSFPOYQY-UHFFFAOYSA-N -1 3 374.462 2.877 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012211687 506836457 /nfs/dbraw/zinc/83/64/57/506836457.db2.gz STSGJZMHEWHHFO-LBPRGKRZSA-N -1 3 362.426 2.620 50 0 FFAAHM O=C1N[C@]([N-]c2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1 ZINC000013153145 506929867 /nfs/dbraw/zinc/92/98/67/506929867.db2.gz RSLSYWOCBPGKBV-AWEZNQCLSA-N -1 3 354.263 2.648 50 0 FFAAHM O=C([N-]c1ccc(N2CCOCC2)c2nonc21)c1c(F)cccc1F ZINC000013326711 506937049 /nfs/dbraw/zinc/93/70/49/506937049.db2.gz PFXQRNPJMUTARQ-UHFFFAOYSA-N -1 3 360.320 2.590 50 0 FFAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1OC ZINC000013678034 506951094 /nfs/dbraw/zinc/95/10/94/506951094.db2.gz DNANGZYJCGWRIE-UHFFFAOYSA-N -1 3 370.377 2.524 50 0 FFAAHM COc1ccc(CN(Cc2ccccn2)C(=O)c2cc(=O)c([O-])co2)cc1 ZINC000019741360 507197127 /nfs/dbraw/zinc/19/71/27/507197127.db2.gz NBZDCKPCSUBMPM-UHFFFAOYSA-N -1 3 366.373 2.592 50 0 FFAAHM COc1ccc(-c2noc([C@@H](C)[N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000020888921 507235698 /nfs/dbraw/zinc/23/56/98/507235698.db2.gz CQOTYYZOHHFKAN-GFCCVEGCSA-N -1 3 359.407 2.785 50 0 FFAAHM COc1cc2nc(NC(=O)c3ccc4n[n-]nc4c3)sc2cc1OC ZINC000021559370 507258931 /nfs/dbraw/zinc/25/89/31/507258931.db2.gz MKYUOSPLTGGQMG-UHFFFAOYSA-N -1 3 355.379 2.837 50 0 FFAAHM CCC[C@H]1CCc2c(sc([N-]C(=O)C(=O)OC)c2C(=O)OCC)C1 ZINC000022327330 507289355 /nfs/dbraw/zinc/28/93/55/507289355.db2.gz MYGCBPBJHIVCHB-JTQLQIEISA-N -1 3 353.440 2.941 50 0 FFAAHM O=S(=O)([N-]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccs1 ZINC000069042235 507389936 /nfs/dbraw/zinc/38/99/36/507389936.db2.gz HKSOLYIBJSUGCR-NSHDSACASA-N -1 3 358.435 2.831 50 0 FFAAHM Cc1nn(C)c2sc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc12 ZINC000024893476 507447286 /nfs/dbraw/zinc/44/72/86/507447286.db2.gz VWCVBSWRLRDUKY-UHFFFAOYSA-N -1 3 364.452 2.567 50 0 FFAAHM Cc1ncc(C(=O)N2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)c(=O)[n-]1 ZINC000071614043 507706810 /nfs/dbraw/zinc/70/68/10/507706810.db2.gz QEFJMUPACIGMAY-AWEZNQCLSA-N -1 3 361.392 2.842 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071750350 507709688 /nfs/dbraw/zinc/70/96/88/507709688.db2.gz PJEMVQPECHCVGI-INIZCTEOSA-N -1 3 369.812 2.734 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071750350 507709702 /nfs/dbraw/zinc/70/97/02/507709702.db2.gz PJEMVQPECHCVGI-INIZCTEOSA-N -1 3 369.812 2.734 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071750351 507710174 /nfs/dbraw/zinc/71/01/74/507710174.db2.gz PJEMVQPECHCVGI-MRXNPFEDSA-N -1 3 369.812 2.734 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071750351 507710176 /nfs/dbraw/zinc/71/01/76/507710176.db2.gz PJEMVQPECHCVGI-MRXNPFEDSA-N -1 3 369.812 2.734 50 0 FFAAHM Cc1nn(-c2ccccc2)nc1C(=O)[N-]c1n[nH]c(-c2ccc(C)cc2)n1 ZINC000028789498 507743070 /nfs/dbraw/zinc/74/30/70/507743070.db2.gz XUNGPNAKCMKKJD-UHFFFAOYSA-N -1 3 359.393 2.922 50 0 FFAAHM O=C([O-])c1ccc(C[C@H]2CCN(Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000072412291 507786325 /nfs/dbraw/zinc/78/63/25/507786325.db2.gz JFGKESCSAQSYQS-QGZVFWFLSA-N -1 3 366.465 2.840 50 0 FFAAHM Cc1ccc2c(c1)CCCN2C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000030032444 507801762 /nfs/dbraw/zinc/80/17/62/507801762.db2.gz NTYKWWGRJVWSFY-UHFFFAOYSA-N -1 3 363.417 2.780 50 0 FFAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1coc(-c2cccs2)n1 ZINC000031617989 507820799 /nfs/dbraw/zinc/82/07/99/507820799.db2.gz BLDNBCBOOFBKJN-UHFFFAOYSA-N -1 3 363.420 2.874 50 0 FFAAHM O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000078520128 507879222 /nfs/dbraw/zinc/87/92/22/507879222.db2.gz BJHJLMGMMINAPH-UHFFFAOYSA-N -1 3 366.270 2.658 50 0 FFAAHM CCCc1ccc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)o1 ZINC000091914746 508024235 /nfs/dbraw/zinc/02/42/35/508024235.db2.gz WGGHCIKBHPBTIX-HNNXBMFYSA-N -1 3 362.470 2.910 50 0 FFAAHM O=C([O-])[C@@H]1CN(Cc2c[nH]c(CC3CCCC3)n2)C[C@H]1c1ccncc1 ZINC000091943756 508026345 /nfs/dbraw/zinc/02/63/45/508026345.db2.gz YUDCHQCYYURCPS-ZWKOTPCHSA-N -1 3 354.454 2.838 50 0 FFAAHM O=C([O-])[C@@H]1CN(Cc2cnc(CC3CCCC3)[nH]2)C[C@H]1c1ccncc1 ZINC000091943756 508026346 /nfs/dbraw/zinc/02/63/46/508026346.db2.gz YUDCHQCYYURCPS-ZWKOTPCHSA-N -1 3 354.454 2.838 50 0 FFAAHM CCc1nn(C)c(Cl)c1CN1CCC[C@@](CCCOC)(C(=O)[O-])C1 ZINC000092098673 508042850 /nfs/dbraw/zinc/04/28/50/508042850.db2.gz ANHAPRILPFTGMK-KRWDZBQOSA-N -1 3 357.882 2.729 50 0 FFAAHM CSc1ccc([C@@H](C(=O)[O-])N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000095378731 508180845 /nfs/dbraw/zinc/18/08/45/508180845.db2.gz QNXXZNSDKKWEJC-KRWDZBQOSA-N -1 3 362.495 2.869 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]C[C@H]2COC3(CCCC3)O2)c(Cl)cc1F ZINC000095459483 508186693 /nfs/dbraw/zinc/18/66/93/508186693.db2.gz OYXYPRPMBBYBKG-NSHDSACASA-N -1 3 363.838 2.752 50 0 FFAAHM CCOC(=O)[C@H]1CSCCN1Cn1nc(-c2cccs2)[n-]c1=S ZINC000096794683 508215920 /nfs/dbraw/zinc/21/59/20/508215920.db2.gz FDHANXDITKYWOH-SNVBAGLBSA-N -1 3 370.525 2.607 50 0 FFAAHM COC[C@H]1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C1 ZINC000097594886 508226862 /nfs/dbraw/zinc/22/68/62/508226862.db2.gz FPJHEQADUFNGAR-HNNXBMFYSA-N -1 3 356.422 2.680 50 0 FFAAHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100224960 508239000 /nfs/dbraw/zinc/23/90/00/508239000.db2.gz SWLLRBKZGOIQEH-DOTOQJQBSA-N -1 3 367.792 2.663 50 0 FFAAHM Cc1cccc(SC2CCN(C(=O)Cc3cnc(C)[n-]c3=O)CC2)c1 ZINC000077297827 508296713 /nfs/dbraw/zinc/29/67/13/508296713.db2.gz KCFTWJUBPZYZOT-UHFFFAOYSA-N -1 3 357.479 2.713 50 0 FFAAHM CC(C)c1ccn(C2(C(=O)[O-])CCN(Cc3cccc4nonc43)CC2)n1 ZINC000077459646 508319321 /nfs/dbraw/zinc/31/93/21/508319321.db2.gz LCRPFAJYIGQEPP-UHFFFAOYSA-N -1 3 369.425 2.619 50 0 FFAAHM Cc1ccc(-c2nc(CN3CCC[C@H](c4cc(=O)[n-]cn4)C3)no2)cc1 ZINC000243915007 509856744 /nfs/dbraw/zinc/85/67/44/509856744.db2.gz BLLPMGJJGQJXHG-HNNXBMFYSA-N -1 3 351.410 2.920 50 0 FFAAHM COc1ccc2c(C)c(C(=O)N3CCc4nc(C)[n-]c(=O)c4CC3)oc2c1 ZINC000426395414 513927574 /nfs/dbraw/zinc/92/75/74/513927574.db2.gz RLOQKZLPIWNOCS-UHFFFAOYSA-N -1 3 367.405 2.795 50 0 FFAAHM COc1cccc([C@H](C(=O)[O-])N2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000526055986 517316962 /nfs/dbraw/zinc/31/69/62/517316962.db2.gz CSQYWQLFRXIARR-MRXNPFEDSA-N -1 3 364.442 2.764 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000627206 521698979 /nfs/dbraw/zinc/69/89/79/521698979.db2.gz MSYFKEAXXUVIAV-QZTJIDSGSA-N -1 3 359.470 2.658 50 0 FFAAHM COCCC[N-]S(=O)(=O)c1ccc(-c2cc(C(F)(F)F)on2)s1 ZINC000020977800 523376477 /nfs/dbraw/zinc/37/64/77/523376477.db2.gz JMEBHGHTPFILHS-UHFFFAOYSA-N -1 3 370.374 2.737 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3cccc(C)c3C)cc21 ZINC000006778663 534802016 /nfs/dbraw/zinc/80/20/16/534802016.db2.gz GZNGHSJDGYJAON-UHFFFAOYSA-N -1 3 360.435 2.850 50 0 FFAAHM Cc1nc([C@@H]2CCCN(c3ccc(Cn4ccnc4)cn3)C2)cc(=O)[n-]1 ZINC000082127648 527006690 /nfs/dbraw/zinc/00/66/90/527006690.db2.gz RNOWXQMFAYNUQP-MRXNPFEDSA-N -1 3 350.426 2.514 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)cc(=O)[n-]1 ZINC000082161784 527044006 /nfs/dbraw/zinc/04/40/06/527044006.db2.gz DGNJZBNLBGWBSP-CYBMUJFWSA-N -1 3 361.829 2.517 50 0 FFAAHM Cn1nc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cc1-c1ccco1 ZINC000090607017 527555556 /nfs/dbraw/zinc/55/55/56/527555556.db2.gz OGFYZSCSHXCDAW-UHFFFAOYSA-N -1 3 369.805 2.951 50 0 FFAAHM Cc1ccccc1NC(=O)Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O ZINC000101800955 570823781 /nfs/dbraw/zinc/82/37/81/570823781.db2.gz LXINOFWQZYVSNY-UHFFFAOYSA-N -1 3 350.353 2.916 50 0 FFAAHM CC[C@@H](C)NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000102835042 570840088 /nfs/dbraw/zinc/84/00/88/570840088.db2.gz CVCKOZRVTAFMDT-SECBINFHSA-N -1 3 373.525 2.675 50 0 FFAAHM O=C(Nc1cccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c1)C(F)(F)F ZINC000045667836 570910570 /nfs/dbraw/zinc/91/05/70/570910570.db2.gz ODMSWZPKOLHQIX-NTEUORMPSA-N -1 3 360.291 2.998 50 0 FFAAHM Cc1cc(-c2ccc(S(=O)(=O)[N-]Cc3cn4ccc(C)cc4n3)o2)on1 ZINC000670443529 571349540 /nfs/dbraw/zinc/34/95/40/571349540.db2.gz SLDWXGCJJQNWIZ-UHFFFAOYSA-N -1 3 372.406 2.678 50 0 FFAAHM COc1ccc2nc([N-]C(=O)c3nc4nc(C)cc(C)n4n3)sc2c1 ZINC000003323784 204090748 /nfs/dbraw/zinc/09/07/48/204090748.db2.gz LNSJDRNPZFMLPK-UHFFFAOYSA-N -1 3 354.395 2.612 50 0 FFAAHM COc1ccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000004840150 204168131 /nfs/dbraw/zinc/16/81/31/204168131.db2.gz HDAVIZCAEDUJCB-UHFFFAOYSA-N -1 3 359.407 2.532 50 0 FFAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000005660274 204219648 /nfs/dbraw/zinc/21/96/48/204219648.db2.gz KBAUDKOVCUNTTN-LBPRGKRZSA-N -1 3 359.856 2.984 50 0 FFAAHM Cc1cc(NC(=O)CSc2n[n-]c(COc3ccc(C)cc3)n2)no1 ZINC000006064812 204235848 /nfs/dbraw/zinc/23/58/48/204235848.db2.gz QULGKLFUWGHOFX-UHFFFAOYSA-N -1 3 359.411 2.719 50 0 FFAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F ZINC000007307765 204294534 /nfs/dbraw/zinc/29/45/34/204294534.db2.gz GSJDYJDYFWVNSV-UHFFFAOYSA-N -1 3 359.325 2.913 50 0 FFAAHM CCCNC(=O)[C@@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000007688298 204302564 /nfs/dbraw/zinc/30/25/64/204302564.db2.gz BMPVRNGBDNJNRS-MRVPVSSYSA-N -1 3 372.796 2.552 50 0 FFAAHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]Cc2ccccc2Cl)s1 ZINC000008608494 204336574 /nfs/dbraw/zinc/33/65/74/204336574.db2.gz JZTPTLOFJBFOCF-UHFFFAOYSA-N -1 3 358.872 2.582 50 0 FFAAHM O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192429 204356405 /nfs/dbraw/zinc/35/64/05/204356405.db2.gz HTYDKVQHMFGVOI-AWEZNQCLSA-N -1 3 360.776 2.774 50 0 FFAAHM CCOC([O-])=NC(=O)CSc1nnc(NCCc2cccs2)s1 ZINC000009952604 204386915 /nfs/dbraw/zinc/38/69/15/204386915.db2.gz FHHBGNZQUOAQCH-UHFFFAOYSA-N -1 3 372.497 2.619 50 0 FFAAHM CCOC(=O)[N-]C(=O)CSc1nnc(NCCc2cccs2)s1 ZINC000009952604 204386920 /nfs/dbraw/zinc/38/69/20/204386920.db2.gz FHHBGNZQUOAQCH-UHFFFAOYSA-N -1 3 372.497 2.619 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000009954896 204387798 /nfs/dbraw/zinc/38/77/98/204387798.db2.gz TWJLKYHNYJCDFF-UHFFFAOYSA-N -1 3 368.477 2.893 50 0 FFAAHM CCc1cc2c(CSc3nncn3CCOC)cc(=O)oc2cc1[O-] ZINC000039579620 205046680 /nfs/dbraw/zinc/04/66/80/205046680.db2.gz BABFPFOQZFGJBG-UHFFFAOYSA-N -1 3 361.423 2.591 50 0 FFAAHM COc1cccc2c1[n-]cc(C(=O)Nc1ccc(NC(C)=O)cc1)c2=O ZINC000039962875 205047338 /nfs/dbraw/zinc/04/73/38/205047338.db2.gz LJPIJJJHQIUMOU-UHFFFAOYSA-N -1 3 351.362 2.747 50 0 FFAAHM O=C(Nc1ccc(Oc2cnccn2)cc1)c1cc2c(cc1[O-])OCO2 ZINC000040154696 205060778 /nfs/dbraw/zinc/06/07/78/205060778.db2.gz LBLZPOLGTXNBOH-UHFFFAOYSA-N -1 3 351.318 2.956 50 0 FFAAHM Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000055108842 205207049 /nfs/dbraw/zinc/20/70/49/205207049.db2.gz VNKJGOKILYFSTF-AWEZNQCLSA-N -1 3 351.410 2.567 50 0 FFAAHM Cc1ccc(C)c(O[C@@H](C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000055108842 205207053 /nfs/dbraw/zinc/20/70/53/205207053.db2.gz VNKJGOKILYFSTF-AWEZNQCLSA-N -1 3 351.410 2.567 50 0 FFAAHM Cc1nc(C)c(CC(=O)N(C)Cc2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000057097731 205234214 /nfs/dbraw/zinc/23/42/14/205234214.db2.gz BZWSWOCHGMENDC-UHFFFAOYSA-N -1 3 353.344 2.607 50 0 FFAAHM CC(C)NC(=O)CN(C)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000057286234 205237263 /nfs/dbraw/zinc/23/72/63/205237263.db2.gz UTMBQXIUWBOONZ-UHFFFAOYSA-N -1 3 370.478 2.608 50 0 FFAAHM Cc1nc(C)c(CC(=O)N(Cc2nccs2)Cc2ccccc2)c(=O)[n-]1 ZINC000071779963 205448107 /nfs/dbraw/zinc/44/81/07/205448107.db2.gz ISUHDLDVIVUESX-UHFFFAOYSA-N -1 3 368.462 2.615 50 0 FFAAHM CCOC(=O)COc1c(Cl)cc(C=C2SC(=O)[N-]C2=O)cc1OC ZINC000001012970 206145572 /nfs/dbraw/zinc/14/55/72/206145572.db2.gz FMXZTWIOZCGHES-IZZDOVSWSA-N -1 3 371.798 2.614 50 0 FFAAHM COC(=O)c1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000001814848 206152334 /nfs/dbraw/zinc/15/23/34/206152334.db2.gz LGZGOHXTBJSWFV-IRXDYDNUSA-N -1 3 350.374 2.643 50 0 biogenic FFAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(OC(F)F)cc1)NCc1ccccc1 ZINC000005258782 206191166 /nfs/dbraw/zinc/19/11/66/206191166.db2.gz RBHOBICUNDUCGQ-HNNXBMFYSA-N -1 3 364.348 2.860 50 0 FFAAHM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCCO3)c1C ZINC000008961779 206220774 /nfs/dbraw/zinc/22/07/74/206220774.db2.gz AMPBJSHZCMBKHL-UHFFFAOYSA-N -1 3 374.462 2.843 50 0 FFAAHM CO[C@@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccco1 ZINC000206865634 206336980 /nfs/dbraw/zinc/33/69/80/206336980.db2.gz SGMLHAWSYKPKIG-VIFPVBQESA-N -1 3 366.258 2.770 50 0 FFAAHM O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1c[n-]c2c(F)cccc2c1=O ZINC000218469289 206369895 /nfs/dbraw/zinc/36/98/95/206369895.db2.gz DXNSXKHXDSTPQJ-UHFFFAOYSA-N -1 3 350.309 2.568 50 0 FFAAHM O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cnc2c(F)cccc2c1[O-] ZINC000218469289 206369897 /nfs/dbraw/zinc/36/98/97/206369897.db2.gz DXNSXKHXDSTPQJ-UHFFFAOYSA-N -1 3 350.309 2.568 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H](O)c1ccc(SC)cc1 ZINC000096103205 206536366 /nfs/dbraw/zinc/53/63/66/206536366.db2.gz USWLHKDOZWVCHH-CQSZACIVSA-N -1 3 371.455 2.568 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000004270490 132254693 /nfs/dbraw/zinc/25/46/93/132254693.db2.gz KDFFFQQDVAQYDP-UHFFFAOYSA-N -1 3 372.446 2.721 50 0 FFAAHM O=c1/c(=C/c2cc(Br)ccc2[O-])sc2nc3ccccc3n12 ZINC000000793910 506231405 /nfs/dbraw/zinc/23/14/05/506231405.db2.gz SPEIKRVTMZKPGK-ZSOIEALJSA-N -1 3 373.231 2.925 50 0 FFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000000793132 506231804 /nfs/dbraw/zinc/23/18/04/506231804.db2.gz YCCYQWKGDHBUFB-ZBEGNZNMSA-N -1 3 372.343 2.957 50 0 FFAAHM O=C(C=C1[N-]S(=O)(=O)c2ccccc2N1)NCc1ccc(Cl)cc1 ZINC000033249473 506351043 /nfs/dbraw/zinc/35/10/43/506351043.db2.gz GHFVWOCWQFXZSI-UHFFFAOYSA-N -1 3 363.826 2.559 50 0 FFAAHM O=c1cc(-c2ccccc2)nc(N2CCN(c3ccc(F)cc3)CC2)[n-]1 ZINC000009668944 506706467 /nfs/dbraw/zinc/70/64/67/506706467.db2.gz HOBDOOHCSQVWAR-UHFFFAOYSA-N -1 3 350.397 2.903 50 0 FFAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000010063772 506724514 /nfs/dbraw/zinc/72/45/14/506724514.db2.gz SUVZSLZVIYQMNJ-UHFFFAOYSA-N -1 3 360.435 2.632 50 0 FFAAHM O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccc2n[n-]nc2c1 ZINC000011252479 506769529 /nfs/dbraw/zinc/76/95/29/506769529.db2.gz UGEAKHQBTRVOSD-UHFFFAOYSA-N -1 3 364.327 2.967 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nccs1 ZINC000012602872 506883553 /nfs/dbraw/zinc/88/35/53/506883553.db2.gz XXGGEHFNINDREB-ZHZWZMEUSA-N -1 3 365.480 2.697 50 0 FFAAHM COc1ccccc1-c1noc([C@@H](C)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000013495139 506942608 /nfs/dbraw/zinc/94/26/08/506942608.db2.gz AKBLBFVIBPNPON-GFCCVEGCSA-N -1 3 359.407 2.785 50 0 FFAAHM COc1cc(NC(=O)CCc2c(C)nc(C)[n-]c2=O)c(OC)cc1Cl ZINC000015544532 507046510 /nfs/dbraw/zinc/04/65/10/507046510.db2.gz DHHQYANNSYCASP-UHFFFAOYSA-N -1 3 365.817 2.629 50 0 FFAAHM O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1[C@H]1NCCc2ccccc21 ZINC000020132036 507213627 /nfs/dbraw/zinc/21/36/27/507213627.db2.gz WXWLERQAQZQEPM-INIZCTEOSA-N -1 3 351.431 2.836 50 0 FFAAHM O=C(c1ccc(Cl)cn1)N1CCc2c(=O)[n-]c(-c3ccccc3)nc2C1 ZINC000072167338 507768239 /nfs/dbraw/zinc/76/82/39/507768239.db2.gz APSZGKLIXNZSRY-UHFFFAOYSA-N -1 3 366.808 2.684 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)C2 ZINC000072170331 507769086 /nfs/dbraw/zinc/76/90/86/507769086.db2.gz KAXIVFJFESCQTB-LJQANCHMSA-N -1 3 351.450 2.937 50 0 FFAAHM CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccccc1-c1nnn[n-]1 ZINC000072428436 507789276 /nfs/dbraw/zinc/78/92/76/507789276.db2.gz DLNBUHWFJZRWBK-UHFFFAOYSA-N -1 3 360.377 2.794 50 0 FFAAHM CN(Cc1cc(-c2ccccc2)no1)C(=O)c1ccccc1-c1nn[n-]n1 ZINC000072428436 507789278 /nfs/dbraw/zinc/78/92/78/507789278.db2.gz DLNBUHWFJZRWBK-UHFFFAOYSA-N -1 3 360.377 2.794 50 0 FFAAHM Cc1ccc(-c2nnn[n-]2)cc1-n1ccnc1-c1ccc2c(c1)OCCO2 ZINC000072476865 507795934 /nfs/dbraw/zinc/79/59/34/507795934.db2.gz YIAUZHPZEYOLAE-UHFFFAOYSA-N -1 3 360.377 2.799 50 0 FFAAHM Cc1ccc(-c2nn[n-]n2)cc1-n1ccnc1-c1ccc2c(c1)OCCO2 ZINC000072476865 507795937 /nfs/dbraw/zinc/79/59/37/507795937.db2.gz YIAUZHPZEYOLAE-UHFFFAOYSA-N -1 3 360.377 2.799 50 0 FFAAHM COc1cccc([C@@H]2CN(Cc3cccc(C)n3)C[C@H]2C(=O)[O-])c1OC ZINC000091254301 507976577 /nfs/dbraw/zinc/97/65/77/507976577.db2.gz AVDJHOSJOBMFOD-DLBZAZTESA-N -1 3 356.422 2.707 50 0 FFAAHM CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@@H]2NC(=O)c1c[nH]c(=O)cc1[O-] ZINC000091381103 507982884 /nfs/dbraw/zinc/98/28/84/507982884.db2.gz YOKLWEAPJNJCGN-ZDUSSCGKSA-N -1 3 370.453 2.612 50 0 FFAAHM O=C([O-])[C@@H]1CN(C(=O)CN2CCCCCCC2)C[C@H]1c1ccc(F)cc1 ZINC000091625936 507997759 /nfs/dbraw/zinc/99/77/59/507997759.db2.gz RJOPNEXFJWGMMI-ZWKOTPCHSA-N -1 3 362.445 2.718 50 0 FFAAHM O=C(c1cnc[n-]c1=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091746958 508007631 /nfs/dbraw/zinc/00/76/31/508007631.db2.gz HZBHTAGMEXXEHK-UHFFFAOYSA-N -1 3 359.429 2.992 50 0 FFAAHM O=C([O-])c1ccc(CN2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1 ZINC000091793179 508013587 /nfs/dbraw/zinc/01/35/87/508013587.db2.gz YIBVKJKYSCAGMM-AZUAARDMSA-N -1 3 351.450 2.876 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000095099922 508173573 /nfs/dbraw/zinc/17/35/73/508173573.db2.gz WCNZWIDVPLBKFT-NVXWUHKLSA-N -1 3 367.792 2.663 50 0 FFAAHM Cc1cc(C)c([C@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000095366466 508177881 /nfs/dbraw/zinc/17/78/81/508177881.db2.gz VERUITAEFFSVFY-HXUWFJFHSA-N -1 3 353.466 2.950 50 0 FFAAHM CCc1nc(C)c(Cc2nc(C3CC3)nn2-c2cccc(F)c2)c(=O)[n-]1 ZINC000096131265 508207507 /nfs/dbraw/zinc/20/75/07/508207507.db2.gz RMOSXDSYRJEUSV-UHFFFAOYSA-N -1 3 353.401 2.829 50 0 FFAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccnc2)CCO1 ZINC000096230806 508212317 /nfs/dbraw/zinc/21/23/17/508212317.db2.gz JWUFHKMNQOWBFV-SWLSCSKDSA-N -1 3 374.466 2.889 50 0 FFAAHM O=C1[C@@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1ccc(F)cc1 ZINC000096396256 508214142 /nfs/dbraw/zinc/21/41/42/508214142.db2.gz APBQDLWJOWKFNQ-NSHDSACASA-N -1 3 374.846 2.624 50 0 FFAAHM CN(Cc1nc2ccc(Cl)cc2[nH]1)C(=O)c1cnc(C(C)(C)C)[n-]c1=O ZINC000082166522 508227302 /nfs/dbraw/zinc/22/73/02/508227302.db2.gz SRFPBSQOTRWNHU-UHFFFAOYSA-N -1 3 373.844 2.869 50 0 FFAAHM O=C1[C@@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1F ZINC000101505462 508241882 /nfs/dbraw/zinc/24/18/82/508241882.db2.gz KTDBRMZNRBYTDU-HIFRSBDPSA-N -1 3 362.719 2.911 50 0 FFAAHM O=c1cc(CN2CCC[C@@H](CCc3c(F)cccc3F)C2)nc2[n-]cnn21 ZINC000102815469 508285956 /nfs/dbraw/zinc/28/59/56/508285956.db2.gz FTJCVQCCLYFIMM-ZDUSSCGKSA-N -1 3 373.407 2.541 50 0 FFAAHM O=C(Cc1ccc([O-])c(F)c1)N1CCC([C@H](O)Cc2ccccc2)CC1 ZINC000077554546 508333712 /nfs/dbraw/zinc/33/37/12/508333712.db2.gz CGMCARPPFKYZIP-HXUWFJFHSA-N -1 3 357.425 2.916 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@H]21 ZINC000230159398 509432820 /nfs/dbraw/zinc/43/28/20/509432820.db2.gz CCZXEZBWLPFGQE-ORIJERBGSA-N -1 3 368.474 2.672 50 0 FFAAHM COC(=O)C[C@H](c1ccc(O)c(OC)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253413110 509878915 /nfs/dbraw/zinc/87/89/15/509878915.db2.gz TUUFGXFEYRBKRK-CYBMUJFWSA-N -1 3 370.357 2.908 50 0 biogenic FFAAHM O=C1CC[C@@H](CC[N-]S(=O)(=O)c2ccccc2F)CCN1CC1CC1 ZINC000257174364 509944807 /nfs/dbraw/zinc/94/48/07/509944807.db2.gz FZFGDISDCGGXKT-AWEZNQCLSA-N -1 3 368.474 2.533 50 0 FFAAHM CC(=O)Nc1cccc(NC(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000299774104 511675504 /nfs/dbraw/zinc/67/55/04/511675504.db2.gz GKCXFNFFUGJBRG-CQSZACIVSA-N -1 3 369.425 2.861 50 0 FFAAHM Cc1[nH]c(=O)[n-]c(=O)c1-c1ccc(C(=O)N(C)CCC[C@@H]2CCCO2)cc1 ZINC000426535920 513972538 /nfs/dbraw/zinc/97/25/38/513972538.db2.gz QYWPXUKUOHNMIZ-MRXNPFEDSA-N -1 3 371.437 2.894 50 0 FFAAHM COCC[C@@H]1CCCCN1C(=O)c1ccc(-c2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000426581285 513986058 /nfs/dbraw/zinc/98/60/58/513986058.db2.gz PQGQOQAJJLWCTE-INIZCTEOSA-N -1 3 371.437 2.894 50 0 FFAAHM Cc1cccc(OCCN2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)c1C ZINC000426746385 514031658 /nfs/dbraw/zinc/03/16/58/514031658.db2.gz ZTDIGVMGGKTLRD-QGZVFWFLSA-N -1 3 357.454 2.843 50 0 FFAAHM O=S(=O)([N-]Cc1n[nH]c2c1CCCCC2)c1ccc(F)c(F)c1F ZINC000670444910 571350454 /nfs/dbraw/zinc/35/04/54/571350454.db2.gz GNYMJJCZGXDICM-UHFFFAOYSA-N -1 3 359.373 2.574 50 0 FFAAHM O=C([O-])CC1(NCc2nn(-c3ccc(F)cc3)c3c2CCC3)CCOCC1 ZINC000662213302 604795737 /nfs/dbraw/zinc/79/57/37/604795737.db2.gz YQJTUELXEAJCHI-UHFFFAOYSA-N -1 3 373.428 2.614 50 0 FFAAHM Cc1ncc(C(=O)N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)[n-]1 ZINC000071750497 845554590 /nfs/dbraw/zinc/55/45/90/845554590.db2.gz FVGDCEHTKYEDAC-AWEZNQCLSA-N -1 3 368.220 2.599 50 0 FFAAHM CN1CC[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000206259844 939042788 /nfs/dbraw/zinc/04/27/88/939042788.db2.gz DPJSOXXGRRQIOX-NRFANRHFSA-N -1 3 366.417 2.684 50 0 FFAAHM COc1cccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000179402771 979757589 /nfs/dbraw/zinc/75/75/89/979757589.db2.gz WHWDZEPWZLRNOJ-INIZCTEOSA-N -1 3 352.394 2.660 50 0 FFAAHM Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)cc2)c([O-])c1 ZINC000002641326 204049622 /nfs/dbraw/zinc/04/96/22/204049622.db2.gz VGZUZIQPCJVKOD-UHFFFAOYSA-N -1 3 368.842 2.613 50 0 FFAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000004144324 204123011 /nfs/dbraw/zinc/12/30/11/204123011.db2.gz UOIWGJQFFMKHKC-VBQJREDUSA-N -1 3 364.323 2.791 50 0 FFAAHM COCc1nnc([N-]C(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 ZINC000004815780 204165337 /nfs/dbraw/zinc/16/53/37/204165337.db2.gz LWCDGACJNKTCNF-UHFFFAOYSA-N -1 3 370.818 2.557 50 0 FFAAHM COCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1 ZINC000005447377 204209633 /nfs/dbraw/zinc/20/96/33/204209633.db2.gz XSPQNTSKZCQJJO-ZDUSSCGKSA-N -1 3 350.724 2.829 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1NC(C)=O ZINC000006315189 204245063 /nfs/dbraw/zinc/24/50/63/204245063.db2.gz OLKDVEBVSAPVSO-UHFFFAOYSA-N -1 3 360.435 2.943 50 0 FFAAHM O=S(=O)([N-]Cc1cccnc1)c1ccc(Br)cc1Cl ZINC000007059636 204288128 /nfs/dbraw/zinc/28/81/28/204288128.db2.gz IEUXNXBUFOHKJE-UHFFFAOYSA-N -1 3 361.648 2.976 50 0 FFAAHM CCCCOc1ccc([N-]S(=O)(=O)c2ccc(-n3cnnn3)cc2)cc1 ZINC000006746853 204265962 /nfs/dbraw/zinc/26/59/62/204265962.db2.gz NLAGORACIALDOZ-UHFFFAOYSA-N -1 3 373.438 2.642 50 0 FFAAHM COc1ccc(CCNC(=O)c2c[n-]c3ccccc3c2=O)cc1OC ZINC000008578960 204335599 /nfs/dbraw/zinc/33/55/99/204335599.db2.gz FNAWFKYZCPJAFR-UHFFFAOYSA-N -1 3 352.390 2.518 50 0 FFAAHM O=c1nc(SC=C(O)c2ccc(Br)cc2)[n-]c2nc[nH]c21 ZINC000010003330 204388436 /nfs/dbraw/zinc/38/84/36/204388436.db2.gz SRTBLMNCVNVSNX-UHFFFAOYSA-N -1 3 365.212 2.796 50 0 FFAAHM COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O ZINC000010087818 204390330 /nfs/dbraw/zinc/39/03/30/204390330.db2.gz JMXUYOOBFKZSOW-GFCCVEGCSA-N -1 3 361.467 2.868 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1ccc(F)cc1F ZINC000013012722 204519348 /nfs/dbraw/zinc/51/93/48/204519348.db2.gz KPSPSPUDDCHSPQ-UHFFFAOYSA-N -1 3 363.389 2.688 50 0 FFAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3C[C@H](C)C[C@H](C)C3)nc2n1 ZINC000014354397 204580231 /nfs/dbraw/zinc/58/02/31/204580231.db2.gz RUKVRZKHSPFYCP-PHIMTYICSA-N -1 3 360.483 2.944 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)cc(=O)[n-]1 ZINC000023430449 204805340 /nfs/dbraw/zinc/80/53/40/204805340.db2.gz SXQRAAGYYHHQBO-IRXDYDNUSA-N -1 3 351.450 2.904 50 0 FFAAHM COc1ccc(F)cc1COC(=O)c1cccc([N-]S(C)(=O)=O)c1 ZINC000024290022 204817521 /nfs/dbraw/zinc/81/75/21/204817521.db2.gz JBAUUDAPNCAYBV-UHFFFAOYSA-N -1 3 353.371 2.563 50 0 FFAAHM O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)[N-]C1=NCCS1 ZINC000040160307 205061976 /nfs/dbraw/zinc/06/19/76/205061976.db2.gz ZCJYJXAPSVGJFW-MRXNPFEDSA-N -1 3 353.447 2.767 50 0 FFAAHM COc1cccc([C@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)N(C)C)c1 ZINC000048313037 205157426 /nfs/dbraw/zinc/15/74/26/205157426.db2.gz OZLDIBIAXJQBIM-KRWDZBQOSA-N -1 3 370.421 2.555 50 0 FFAAHM COc1ccc(C)cc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)[n-]1 ZINC000057521089 205242493 /nfs/dbraw/zinc/24/24/93/205242493.db2.gz XCUZDEFVVJDNLZ-UHFFFAOYSA-N -1 3 358.423 2.607 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)on1 ZINC000058341559 205271447 /nfs/dbraw/zinc/27/14/47/205271447.db2.gz WYEWSLQRSWWXRA-QWRGUYRKSA-N -1 3 359.361 2.850 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)cc1C ZINC000064591855 205302428 /nfs/dbraw/zinc/30/24/28/205302428.db2.gz FEKQGNICNAAYNM-UHFFFAOYSA-N -1 3 359.451 2.603 50 0 FFAAHM COc1cccc([N-]C(=O)c2nc(-c3cn(-c4ccccc4)nn3)no2)c1 ZINC000065236601 205326869 /nfs/dbraw/zinc/32/68/69/205326869.db2.gz PPXRNHRMQQOCBO-UHFFFAOYSA-N -1 3 362.349 2.578 50 0 FFAAHM Cc1[nH]c2ccc(CNC(=O)c3cc(CC(C)C)nc(=O)[n-]3)cc2c1C ZINC000071752083 205440070 /nfs/dbraw/zinc/44/00/70/205440070.db2.gz KSSWHTQOQQPLNE-UHFFFAOYSA-N -1 3 352.438 2.997 50 0 FFAAHM Cn1c(SCC(=O)NCc2ccccc2)nnc1-c1ccccc1[O-] ZINC000006703031 206203336 /nfs/dbraw/zinc/20/33/36/206203336.db2.gz PEWKHFWBTWKJOW-UHFFFAOYSA-N -1 3 354.435 2.596 50 0 FFAAHM CCN(CC)c1nc(Nc2ccccc2)nc(Oc2ccc(=O)[n-]n2)n1 ZINC000008584682 206218167 /nfs/dbraw/zinc/21/81/67/206218167.db2.gz UECILUWABXUMHJ-UHFFFAOYSA-N -1 3 353.386 2.749 50 0 FFAAHM CCOc1cccc2cc(C(=O)Nc3cccc4c3C(=O)[N-]C4=O)oc21 ZINC000008960775 206220308 /nfs/dbraw/zinc/22/03/08/206220308.db2.gz QMCBLMYSUORFGO-UHFFFAOYSA-N -1 3 350.330 2.967 50 0 FFAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)c(C)c1 ZINC000008962488 206221068 /nfs/dbraw/zinc/22/10/68/206221068.db2.gz GPCLQCGYGFWMCE-UHFFFAOYSA-N -1 3 373.434 2.639 50 0 FFAAHM Cn1c([O-])c([C@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020759472 206343353 /nfs/dbraw/zinc/34/33/53/206343353.db2.gz AHVJCZXSAJJQOX-CYBMUJFWSA-N -1 3 362.842 2.518 50 0 biogenic FFAAHM Cc1ccc(Cc2ccccc2C(=O)NCCc2nc(N)cc(=O)[n-]2)cc1 ZINC000219616150 206388762 /nfs/dbraw/zinc/38/87/62/206388762.db2.gz YNORIAJBBQBUTF-UHFFFAOYSA-N -1 3 362.433 2.636 50 0 FFAAHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@@H](C)c2ccccc2)c1 ZINC000058151598 206391493 /nfs/dbraw/zinc/39/14/93/206391493.db2.gz TUEGQCHWYURBDI-GFCCVEGCSA-N -1 3 351.399 2.694 50 0 FFAAHM CCc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855197 206393171 /nfs/dbraw/zinc/39/31/71/206393171.db2.gz VOHHSRLHRZHDEL-MRXNPFEDSA-N -1 3 372.494 2.913 50 0 FFAAHM C[C@@H]1CN(c2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc2)C[C@@H](C)O1 ZINC000058216730 136131041 /nfs/dbraw/zinc/13/10/41/136131041.db2.gz GOPBCJRYLAZBED-CHWSQXEVSA-N -1 3 351.410 2.824 50 0 FFAAHM COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc([O-])cc1Cl ZINC000000632281 506224789 /nfs/dbraw/zinc/22/47/89/506224789.db2.gz XVXJLVSJUZIIHL-UHFFFAOYSA-N -1 3 351.786 2.626 50 0 FFAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccc1 ZINC000000781590 506232244 /nfs/dbraw/zinc/23/22/44/506232244.db2.gz AJCKWNSXFRBQSE-UHFFFAOYSA-N -1 3 356.241 2.936 50 0 FFAAHM COc1cccc(OCC[N-]S(=O)(=O)c2cccc(Cl)c2F)c1 ZINC000032433840 506253295 /nfs/dbraw/zinc/25/32/95/506253295.db2.gz ABYCAMTYGOGQJZ-UHFFFAOYSA-N -1 3 359.806 2.845 50 0 FFAAHM O=C(Cc1csc(-c2cccs2)n1)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000032820450 506299078 /nfs/dbraw/zinc/29/90/78/506299078.db2.gz ARESSYYINUKEII-UHFFFAOYSA-N -1 3 369.427 2.936 50 0 FFAAHM O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccccc3)C2)o1)c1cccs1 ZINC000033169789 506341601 /nfs/dbraw/zinc/34/16/01/506341601.db2.gz XWMYKPDAESTDPW-NSHDSACASA-N -1 3 354.391 2.904 50 0 FFAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc2c(c1)CCC2 ZINC000007055475 506530460 /nfs/dbraw/zinc/53/04/60/506530460.db2.gz AWZBWDLJGOOWNO-UHFFFAOYSA-N -1 3 358.463 2.813 50 0 FFAAHM Cc1ccc(NC(=O)[C@@H](C)[N-]S(=O)(=O)c2ccccc2F)cc1C ZINC000012776043 506900432 /nfs/dbraw/zinc/90/04/32/506900432.db2.gz MUDGZDOIHDBXFQ-CYBMUJFWSA-N -1 3 350.415 2.748 50 0 FFAAHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)[nH]c(=O)n(-c1ccccc1)c2=O ZINC000012914004 506913817 /nfs/dbraw/zinc/91/38/17/506913817.db2.gz LOMYOFUAUATNCB-UHFFFAOYSA-N -1 3 373.368 2.637 50 0 FFAAHM CC(C)NC(=O)CN(C)[C@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000014121639 506968259 /nfs/dbraw/zinc/96/82/59/506968259.db2.gz MZOAXMCKKKMVAL-LLVKDONJSA-N -1 3 374.466 2.762 50 0 FFAAHM COc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c([O-])c1 ZINC000014167418 506974435 /nfs/dbraw/zinc/97/44/35/506974435.db2.gz ZPQGFMIWDBHAES-UHFFFAOYSA-N -1 3 367.405 2.521 50 0 FFAAHM O=C(C[N-]S(=O)(=O)c1ccccc1C(F)(F)F)Nc1ccccc1 ZINC000068192898 507144931 /nfs/dbraw/zinc/14/49/31/507144931.db2.gz RVYLZQJZQLGLEG-UHFFFAOYSA-N -1 3 358.341 2.622 50 0 FFAAHM COc1cc([C@H]2CC(=O)c3cc4c(=O)[nH]nc-4[n-]c3C2)cc(OC)c1OC ZINC000020086016 507209596 /nfs/dbraw/zinc/20/95/96/507209596.db2.gz FVXWVVMUPOUMKN-SECBINFHSA-N -1 3 369.377 2.602 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(Cc2cccnc2)CC1 ZINC000020714316 507231961 /nfs/dbraw/zinc/23/19/61/507231961.db2.gz OYYLWQSVPVZPPO-LJQANCHMSA-N -1 3 350.422 2.506 50 0 FFAAHM COc1ccc(-c2noc([C@H](C)[N-]S(=O)(=O)c3ccccc3)n2)cc1 ZINC000020888925 507236176 /nfs/dbraw/zinc/23/61/76/507236176.db2.gz CQOTYYZOHHFKAN-LBPRGKRZSA-N -1 3 359.407 2.785 50 0 FFAAHM Cc1nc(-c2csc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)no1 ZINC000021701801 507263733 /nfs/dbraw/zinc/26/37/33/507263733.db2.gz YWAWRCPIXGGZJA-UHFFFAOYSA-N -1 3 353.400 2.724 50 0 FFAAHM Cc1nc2sc([C@@H](c3ccc(C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000023156849 507334884 /nfs/dbraw/zinc/33/48/84/507334884.db2.gz UGWGFIHQTVDURG-OAHLLOKOSA-N -1 3 358.467 2.659 50 0 FFAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccsc1 ZINC000069375067 507478516 /nfs/dbraw/zinc/47/85/16/507478516.db2.gz FIXFSHVFNGQMRP-INIZCTEOSA-N -1 3 363.464 2.817 50 0 FFAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@H]1c1cccs1 ZINC000025453395 507502496 /nfs/dbraw/zinc/50/24/96/507502496.db2.gz JUCOFHHBNXSYBT-HNNXBMFYSA-N -1 3 369.446 2.505 50 0 FFAAHM O=C(c1c[n-]c2ccc(F)cc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000049546970 507623046 /nfs/dbraw/zinc/62/30/46/507623046.db2.gz KTLCENYWJNGPFF-UHFFFAOYSA-N -1 3 369.371 2.769 50 0 FFAAHM Cc1nc([C@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)cc(=O)[n-]1 ZINC000072126546 507751059 /nfs/dbraw/zinc/75/10/59/507751059.db2.gz HEKOBKUOLKKFNL-INIZCTEOSA-N -1 3 367.428 2.783 50 0 FFAAHM O=C(C[N-]S(=O)(=O)CC1CCCCC1)Nc1ccc(F)c(F)c1F ZINC000072230378 507771019 /nfs/dbraw/zinc/77/10/19/507771019.db2.gz UGTUXLDIMKVNNB-UHFFFAOYSA-N -1 3 364.389 2.542 50 0 FFAAHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)N(C)C2CCCCC2)c(C)c1 ZINC000030004066 507799336 /nfs/dbraw/zinc/79/93/36/507799336.db2.gz NCZRCYWIQKAJJA-UHFFFAOYSA-N -1 3 367.515 2.649 50 0 FFAAHM Cc1ccc(F)cc1CN1CCC2(CCC(=O)N([C@@H](C)C(=O)[O-])C2)CC1 ZINC000091410201 507983543 /nfs/dbraw/zinc/98/35/43/507983543.db2.gz WSGBIPCREXUUOS-HNNXBMFYSA-N -1 3 362.445 2.812 50 0 FFAAHM CCc1ccc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)nc1 ZINC000091892766 508022681 /nfs/dbraw/zinc/02/26/81/508022681.db2.gz OXNRAHFXCBQSPV-DLBZAZTESA-N -1 3 354.406 2.673 50 0 FFAAHM CN(Cc1cccnc1)[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CCCC2)cc1 ZINC000095358691 508175270 /nfs/dbraw/zinc/17/52/70/508175270.db2.gz ISRZKCMKKCHUSF-GOSISDBHSA-N -1 3 368.437 2.967 50 0 FFAAHM CCOc1ccccc1[C@H](C(=O)[O-])N1CCCN(Cc2cccnc2)CC1 ZINC000095382376 508181367 /nfs/dbraw/zinc/18/13/67/508181367.db2.gz GJUMESUUPPBLAU-HXUWFJFHSA-N -1 3 369.465 2.814 50 0 FFAAHM CCOCC1(CNc2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)CCC1 ZINC000095505495 508192119 /nfs/dbraw/zinc/19/21/19/508192119.db2.gz RBXBIFYXMOXWQR-UHFFFAOYSA-N -1 3 355.438 2.872 50 0 FFAAHM Cc1cc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)no1 ZINC000081715237 508205633 /nfs/dbraw/zinc/20/56/33/508205633.db2.gz PQCDPPBQNDWVDW-UHFFFAOYSA-N -1 3 363.801 2.833 50 0 FFAAHM O=C(NCc1csc(N2CCCC2)n1)c1c[n-]c2c(F)cccc2c1=O ZINC000097294558 508223206 /nfs/dbraw/zinc/22/32/06/508223206.db2.gz OVHJRCLYOJHFCQ-UHFFFAOYSA-N -1 3 372.425 2.654 50 0 FFAAHM C[C@@]1(CO)CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C1 ZINC000097660299 508227314 /nfs/dbraw/zinc/22/73/14/508227314.db2.gz BJNOLEFKXOZTND-OAQYLSRUSA-N -1 3 370.449 2.806 50 0 FFAAHM O=C1CC(N(O)c2ccccc2)=C([O-])N1c1cccc(Br)c1 ZINC000101055267 508240886 /nfs/dbraw/zinc/24/08/86/508240886.db2.gz MSGMDUMGBWSNEP-AWEZNQCLSA-N -1 3 361.195 2.977 50 0 FFAAHM CC(C)(CCC(=O)[O-])NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236836637 509514388 /nfs/dbraw/zinc/51/43/88/509514388.db2.gz YOTBQWDHDGPBAH-OAHLLOKOSA-N -1 3 350.434 2.797 50 0 FFAAHM Cc1cc(-n2cccn2)ccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000252490150 509842720 /nfs/dbraw/zinc/84/27/20/509842720.db2.gz KKLBYWAEGLYUHL-UHFFFAOYSA-N -1 3 355.419 2.916 50 0 FFAAHM CCCCc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])s1 ZINC000244764119 509869583 /nfs/dbraw/zinc/86/95/83/509869583.db2.gz PBSDJCKHTOJAIH-HNNXBMFYSA-N -1 3 350.484 2.646 50 0 FFAAHM CC(C)c1cc(C(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)no1 ZINC000253535008 509886046 /nfs/dbraw/zinc/88/60/46/509886046.db2.gz CUBFJOPYBLWJTD-BETUJISGSA-N -1 3 371.441 2.570 50 0 FFAAHM O=c1cc([C@H]2C[C@H](Nc3nccnc3N3CCCC3)C2)nc(C2CC2)[n-]1 ZINC000253534790 509886092 /nfs/dbraw/zinc/88/60/92/509886092.db2.gz CYBOHNACVJYXDK-HDJSIYSDSA-N -1 3 352.442 2.808 50 0 FFAAHM O=C([O-])CC[C@H]1CN(Cc2cccc(Cl)c2)CC[C@H]1N1CCOCC1 ZINC000299790912 511682609 /nfs/dbraw/zinc/68/26/09/511682609.db2.gz BUVLDFVPDVUEPG-FUHWJXTLSA-N -1 3 366.889 2.728 50 0 FFAAHM COCCCN1CC2(CCC1=O)CCN(C(=O)c1ccc([O-])c(C)c1)CC2 ZINC000091604317 523295512 /nfs/dbraw/zinc/29/55/12/523295512.db2.gz XRPLTDOOGSXXCZ-UHFFFAOYSA-N -1 3 374.481 2.582 50 0 FFAAHM CN1CCN(Cc2ccc(OCCc3ccccc3)cc2)C[C@H]1C(=O)[O-] ZINC000248075743 523911047 /nfs/dbraw/zinc/91/10/47/523911047.db2.gz YWRSJLVHZMSKLA-FQEVSTJZSA-N -1 3 354.450 2.509 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N(Cc1ccco1)Cc1ccncc1 ZINC000097815227 526800106 /nfs/dbraw/zinc/80/01/06/526800106.db2.gz QTNGTLSFXZNBNA-UHFFFAOYSA-N -1 3 360.377 2.697 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N(Cc1ccco1)Cc1ccncc1 ZINC000097815227 526800113 /nfs/dbraw/zinc/80/01/13/526800113.db2.gz QTNGTLSFXZNBNA-UHFFFAOYSA-N -1 3 360.377 2.697 50 0 FFAAHM CCOc1ccc(-c2ccnc(N3CCN4CCC[C@@H]4C3)n2)cc1C(=O)[O-] ZINC000072480879 535692121 /nfs/dbraw/zinc/69/21/21/535692121.db2.gz IYYPMAUBMGBPLE-OAHLLOKOSA-N -1 3 368.437 2.525 50 0 FFAAHM Cc1c([O-])ccc2c(CNc3ccc4c(c3)oc(=O)n4C)cc(=O)oc12 ZINC000077396776 571140531 /nfs/dbraw/zinc/14/05/31/571140531.db2.gz RWCFFWUHRHOSJK-UHFFFAOYSA-N -1 3 352.346 2.864 50 0 FFAAHM COCc1noc([C@@H](CC(C)C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000864097311 730821837 /nfs/dbraw/zinc/82/18/37/730821837.db2.gz OVCVLUXFAXRIBM-CQSZACIVSA-N -1 3 353.444 2.590 50 0 FFAAHM Cc1ccc2c(CC(=O)N3CCC[C@@H](c4cc(=O)[n-]cn4)C3)coc2c1 ZINC000023214620 967265018 /nfs/dbraw/zinc/26/50/18/967265018.db2.gz VORIYJWHIMQMGA-CQSZACIVSA-N -1 3 351.406 2.773 50 0 FFAAHM CCOC(=O)C(=C([O-])c1cccnc1)[C@H](C(=O)OCC)c1ccccc1 ZINC000003130199 204079883 /nfs/dbraw/zinc/07/98/83/204079883.db2.gz HOUUXJLVTPCYJH-SJORKVTESA-N -1 3 355.390 2.791 50 0 FFAAHM Cc1cc2c(nc(C)n([N-]C(=O)[C@H](C)n3ncc(Cl)c3C)c2=O)s1 ZINC000002777745 204057625 /nfs/dbraw/zinc/05/76/25/204057625.db2.gz DXGOTXXDEZELCD-VIFPVBQESA-N -1 3 365.846 2.564 50 0 FFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)cc1 ZINC000002851355 204062190 /nfs/dbraw/zinc/06/21/90/204062190.db2.gz DETWJNAEPSVIMO-UHFFFAOYSA-N -1 3 363.435 2.964 50 0 FFAAHM Cc1ccccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000003907492 204115747 /nfs/dbraw/zinc/11/57/47/204115747.db2.gz KWOYGIVWQLGSKN-HNNXBMFYSA-N -1 3 352.481 2.998 50 0 FFAAHM COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2[O-])n1C ZINC000004736177 204159287 /nfs/dbraw/zinc/15/92/87/204159287.db2.gz VAWWDYXPLVBOOD-UHFFFAOYSA-N -1 3 370.434 2.927 50 0 FFAAHM COc1ccc(NC(=O)CC[N-]S(=O)(=O)c2cccs2)cc1Cl ZINC000004758027 204161813 /nfs/dbraw/zinc/16/18/13/204161813.db2.gz IGHWBPHSNFJUOS-UHFFFAOYSA-N -1 3 374.871 2.717 50 0 FFAAHM Cc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc(C)c1Cl ZINC000004832515 204167506 /nfs/dbraw/zinc/16/75/06/204167506.db2.gz KSTKXSDCDJVKDO-UHFFFAOYSA-N -1 3 358.781 2.858 50 0 FFAAHM CCOC(=O)[C@H]1CCCN(Cc2cc(Br)c([O-])c(OC)c2)C1 ZINC000005326317 204203750 /nfs/dbraw/zinc/20/37/50/204203750.db2.gz GKIVQCMZVKUVDC-LBPRGKRZSA-N -1 3 372.259 2.938 50 0 FFAAHM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1ccccc1Br ZINC000005198551 204197742 /nfs/dbraw/zinc/19/77/42/204197742.db2.gz PLQKHCMMRQIZRJ-UHFFFAOYSA-N -1 3 358.195 2.851 50 0 FFAAHM Cc1ccc(Nc2nc(N)nc(COC(=O)c3ccc([O-])cc3)n2)cc1 ZINC000005298408 204201668 /nfs/dbraw/zinc/20/16/68/204201668.db2.gz FTBRPZFRLPHXKP-UHFFFAOYSA-N -1 3 351.366 2.568 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000008057685 204316182 /nfs/dbraw/zinc/31/61/82/204316182.db2.gz AZUQSIZSAOPBRS-INIZCTEOSA-N -1 3 366.439 2.738 50 0 FFAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccsc1 ZINC000008353004 204329333 /nfs/dbraw/zinc/32/93/33/204329333.db2.gz HYSSZQMFHQHQNL-UHFFFAOYSA-N -1 3 364.370 2.841 50 0 FFAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1ccco1 ZINC000009060534 204352651 /nfs/dbraw/zinc/35/26/51/204352651.db2.gz GVBDRLZYQIACCR-HNNXBMFYSA-N -1 3 361.423 2.739 50 0 FFAAHM O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1[O-] ZINC000029800826 204905231 /nfs/dbraw/zinc/90/52/31/204905231.db2.gz IQDXEVBXEKZZLH-KRWDZBQOSA-N -1 3 360.841 2.849 50 0 FFAAHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000036395450 205014212 /nfs/dbraw/zinc/01/42/12/205014212.db2.gz ZIYBCIONPKZPIK-PRHODGIISA-N -1 3 358.225 2.501 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@@H]1c1ccsc1 ZINC000046911825 205140310 /nfs/dbraw/zinc/14/03/10/205140310.db2.gz JAWFIXGWOQWGHY-CYBMUJFWSA-N -1 3 370.521 2.842 50 0 FFAAHM CC(C)(C)OC(=O)N1CCC([N-]S(=O)(=O)c2ccccc2F)CC1 ZINC000049983452 205176560 /nfs/dbraw/zinc/17/65/60/205176560.db2.gz IMIUCMPRAGCZMN-UHFFFAOYSA-N -1 3 358.435 2.504 50 0 FFAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000053695544 205195389 /nfs/dbraw/zinc/19/53/89/205195389.db2.gz ZMRQDLOWSNEPRZ-INIZCTEOSA-N -1 3 358.385 2.685 50 0 FFAAHM Cc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000064787710 205304159 /nfs/dbraw/zinc/30/41/59/205304159.db2.gz ZKLKBODAVDTPBN-UHFFFAOYSA-N -1 3 359.382 2.685 50 0 FFAAHM c1ccc(-c2ccc(-c3n[nH]c4c3CN(CCc3nnn[n-]3)CC4)cc2)cc1 ZINC000067675515 205381434 /nfs/dbraw/zinc/38/14/34/205381434.db2.gz RKVAGEKYCYFQTC-UHFFFAOYSA-N -1 3 371.448 2.858 50 0 FFAAHM CC(C)C[C@H]1CN(C(=O)c2c[n-]c3c(F)cccc3c2=O)CC[C@@]1(C)O ZINC000067742494 205387746 /nfs/dbraw/zinc/38/77/46/205387746.db2.gz HGQGEQUDKABGEU-RNODOKPDSA-N -1 3 360.429 2.926 50 0 FFAAHM O=C([O-])c1ccc(CN2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cc1 ZINC000091707607 205687931 /nfs/dbraw/zinc/68/79/31/205687931.db2.gz IZKUEIPJTLAEED-UHFFFAOYSA-N -1 3 356.466 2.999 50 0 FFAAHM COCCN(Cc1ccccc1Cl)C(=O)c1cnc(C2CC2)[n-]c1=O ZINC000097679887 205922730 /nfs/dbraw/zinc/92/27/30/205922730.db2.gz RXNYBMSCIQZXKJ-UHFFFAOYSA-N -1 3 361.829 2.590 50 0 FFAAHM CO[C@@H]1CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C1 ZINC000097759329 205926118 /nfs/dbraw/zinc/92/61/18/205926118.db2.gz VFZKMXTXIWCCAG-GOSISDBHSA-N -1 3 356.422 2.823 50 0 FFAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc2c3c(c1)CCCN3C(=O)C2 ZINC000004270422 206174343 /nfs/dbraw/zinc/17/43/43/206174343.db2.gz UWXYWZHZQYAMNF-UHFFFAOYSA-N -1 3 360.410 2.770 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCc3cccnc3)c(=O)oc12 ZINC000004000330 206163815 /nfs/dbraw/zinc/16/38/15/206163815.db2.gz OJUJJCYGNRDTIF-UHFFFAOYSA-N -1 3 352.390 2.759 50 0 biogenic FFAAHM Cc1ccc(OS(=O)(=O)c2cc3cccc4c3c(c2)C(=O)[N-]C4=O)cc1 ZINC000011691554 206285285 /nfs/dbraw/zinc/28/52/85/206285285.db2.gz TYQUWTXGEOWYNO-UHFFFAOYSA-N -1 3 367.382 2.800 50 0 FFAAHM O=C(CSc1cnnc(=O)[n-]1)N(Cc1ccccc1)Cc1ccccc1 ZINC000015859741 206317521 /nfs/dbraw/zinc/31/75/21/206317521.db2.gz VSKJVIHREQVCPT-UHFFFAOYSA-N -1 3 366.446 2.898 50 0 FFAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NC12CC3CC(CC(C3)C1)C2 ZINC000018114006 206324068 /nfs/dbraw/zinc/32/40/68/206324068.db2.gz WNLNSKIFLGIMHY-UHFFFAOYSA-N -1 3 367.449 2.577 50 0 FFAAHM Cc1[nH]c(C(=O)NCCN2CC[C@H](c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000215360820 206346575 /nfs/dbraw/zinc/34/65/75/206346575.db2.gz TUUNVTMMFUUXAJ-INIZCTEOSA-N -1 3 355.438 2.549 50 0 FFAAHM Cc1cc(=O)[n-]c(NCCNC(=O)Cc2ccc(-c3ccccc3)cc2)n1 ZINC000220268151 206398788 /nfs/dbraw/zinc/39/87/88/206398788.db2.gz NDHCUWDZJODNNM-UHFFFAOYSA-N -1 3 362.433 2.516 50 0 FFAAHM Cc1cccc([C@@H](NC(=O)C2(c3ccccc3)CCN(C)CC2)C(=O)[O-])c1 ZINC000220735382 206403407 /nfs/dbraw/zinc/40/34/07/206403407.db2.gz IILDEFXQODNYIC-LJQANCHMSA-N -1 3 366.461 2.901 50 0 FFAAHM Cc1ccc(N2CCN(C(=O)c3ccccc3-c3nnn[n-]3)[C@H](C)C2)cc1 ZINC000077440750 132185527 /nfs/dbraw/zinc/18/55/27/132185527.db2.gz GWQBKJTYZQFFIV-OAHLLOKOSA-N -1 3 362.437 2.526 50 0 FFAAHM Cc1ccc(N2CCN(C(=O)c3ccccc3-c3nn[n-]n3)[C@H](C)C2)cc1 ZINC000077440750 132185528 /nfs/dbraw/zinc/18/55/28/132185528.db2.gz GWQBKJTYZQFFIV-OAHLLOKOSA-N -1 3 362.437 2.526 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)Nc1ccccc1)CN1CCN(c2ccccc2)CC1 ZINC000061720148 136132621 /nfs/dbraw/zinc/13/26/21/136132621.db2.gz LWIVPGRYBJKNPX-KRWDZBQOSA-N -1 3 367.449 2.538 50 0 FFAAHM O=S(=O)([N-]C[C@H](O)c1ccccc1)c1ccc(-c2ccccn2)s1 ZINC000001033252 506244333 /nfs/dbraw/zinc/24/43/33/506244333.db2.gz ZXSGNRLGJHGJSM-HNNXBMFYSA-N -1 3 360.460 2.822 50 0 FFAAHM Cc1cc(C)nc(SCC(=O)[N-]C2=NN=C(c3ccccc3)CS2)n1 ZINC000001117032 506250233 /nfs/dbraw/zinc/25/02/33/506250233.db2.gz SFEJAOHJPPZRGD-UHFFFAOYSA-N -1 3 371.491 2.809 50 0 FFAAHM COc1ccc(-c2cc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)[nH]n2)cc1 ZINC000032476120 506258196 /nfs/dbraw/zinc/25/81/96/506258196.db2.gz SVALFIUUBBSGMC-HNNXBMFYSA-N -1 3 368.315 2.558 50 0 FFAAHM CN1CCc2nc(NC(=O)c3c[n-]nc3-c3ccc(F)cc3)sc2C1 ZINC000032795558 506297367 /nfs/dbraw/zinc/29/73/67/506297367.db2.gz FPPVQVJRJFZSLS-UHFFFAOYSA-N -1 3 357.414 2.913 50 0 FFAAHM O=C(CSc1n[n-]c([C@@H]2CCCO2)n1)NC12CC3CC(CC(C3)C1)C2 ZINC000032873955 506305052 /nfs/dbraw/zinc/30/50/52/506305052.db2.gz SCGUBTKIGARGOA-RZYZSWTKSA-N -1 3 362.499 2.833 50 0 FFAAHM CCc1ccc(OCC(=O)Nc2ccc(C)cc2[O-])c(-n2cnnc2)c1 ZINC000033087392 506334284 /nfs/dbraw/zinc/33/42/84/506334284.db2.gz KBWNJTAHQVWPLX-UHFFFAOYSA-N -1 3 352.394 2.861 50 0 FFAAHM O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)o1)c1cccs1 ZINC000033169788 506341532 /nfs/dbraw/zinc/34/15/32/506341532.db2.gz XWMYKPDAESTDPW-LLVKDONJSA-N -1 3 354.391 2.904 50 0 FFAAHM CC(=O)Nc1c(C)noc1/C=C/c1ccc(S(=O)(=O)[N-]C2CC2)s1 ZINC000033306436 506354983 /nfs/dbraw/zinc/35/49/83/506354983.db2.gz VGRZJUXJUURFCV-FNORWQNLSA-N -1 3 367.452 2.614 50 0 FFAAHM Cc1ccc(NC(=O)CCCN(C)S(=O)(=O)c2cccs2)c([O-])c1 ZINC000010123567 506728743 /nfs/dbraw/zinc/72/87/43/506728743.db2.gz CSBNPXTYBVXSBN-UHFFFAOYSA-N -1 3 368.480 2.802 50 0 FFAAHM CC(=O)N[C@@H](C(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12)C1CCCC1 ZINC000010911671 506758782 /nfs/dbraw/zinc/75/87/82/506758782.db2.gz REPHHJLCQJJHCZ-GOSISDBHSA-N -1 3 373.405 2.545 50 0 FFAAHM O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2n[n-]nc2c1 ZINC000012548110 506875945 /nfs/dbraw/zinc/87/59/45/506875945.db2.gz HPYYXYZZVQZNEO-UHFFFAOYSA-N -1 3 363.421 2.514 50 0 FFAAHM Cc1cccc(OCC(=O)N2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000012948409 506918519 /nfs/dbraw/zinc/91/85/19/506918519.db2.gz KNBVYMISNZVXCB-UHFFFAOYSA-N -1 3 368.433 2.957 50 0 FFAAHM CCOC(=O)c1c(C)oc2nc(CN(C)Cc3ccc(C)cc3)[n-]c(=O)c21 ZINC000014017909 506962922 /nfs/dbraw/zinc/96/29/22/506962922.db2.gz HMCLTMLLZONSOD-UHFFFAOYSA-N -1 3 369.421 2.942 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(COc3ccc(F)cc3)n2)cc1 ZINC000021702499 507262878 /nfs/dbraw/zinc/26/28/78/507262878.db2.gz NIGKBGVIWNXNDK-UHFFFAOYSA-N -1 3 363.370 2.826 50 0 FFAAHM Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000021927451 507274552 /nfs/dbraw/zinc/27/45/52/507274552.db2.gz HBIDJOIOCXZCQE-UHFFFAOYSA-N -1 3 360.410 2.770 50 0 FFAAHM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@H](c2ccccc2)O1 ZINC000068651775 507289009 /nfs/dbraw/zinc/28/90/09/507289009.db2.gz WRTOSGSPCOSYJX-SJKOYZFVSA-N -1 3 365.389 2.564 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1ccc(N2CCCCC2)nc1 ZINC000024031829 507384742 /nfs/dbraw/zinc/38/47/42/507384742.db2.gz PHQDAMMDKHDLHR-UHFFFAOYSA-N -1 3 373.482 2.698 50 0 FFAAHM CCOC([O-])=NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000024091022 507391906 /nfs/dbraw/zinc/39/19/06/507391906.db2.gz ZEHWZXPGVHKECM-UHFFFAOYSA-N -1 3 351.355 2.984 50 0 FFAAHM CCOC(=O)[N-]C(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1 ZINC000024091022 507391915 /nfs/dbraw/zinc/39/19/15/507391915.db2.gz ZEHWZXPGVHKECM-UHFFFAOYSA-N -1 3 351.355 2.984 50 0 FFAAHM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000029690244 507786668 /nfs/dbraw/zinc/78/66/68/507786668.db2.gz KBPWRLPQJOUNMY-MSOLQXFVSA-N -1 3 356.466 2.915 50 0 FFAAHM Cc1nc(C2CCN(Cc3cnc(N4CCCC4)s3)CC2)cc(=O)[n-]1 ZINC000072448011 507793315 /nfs/dbraw/zinc/79/33/15/507793315.db2.gz SWUQTPHQZSDJQS-UHFFFAOYSA-N -1 3 359.499 2.515 50 0 FFAAHM Cc1c([C@@H](C)NC(=O)c2cnc[n-]c2=O)cnn1-c1cccc2ccccc21 ZINC000091350826 507982402 /nfs/dbraw/zinc/98/24/02/507982402.db2.gz VNLYVPUFJIAYHO-CYBMUJFWSA-N -1 3 373.416 2.908 50 0 FFAAHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@](CO)(CC4CC4)C3)c[n-]c12 ZINC000091643805 507999704 /nfs/dbraw/zinc/99/97/04/507999704.db2.gz RZCRPLRXBKFVLJ-NRFANRHFSA-N -1 3 354.450 2.851 50 0 FFAAHM Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c([O-])c1 ZINC000091655849 508000257 /nfs/dbraw/zinc/00/02/57/508000257.db2.gz ZAPZBVQQTNFVHU-ZWKOTPCHSA-N -1 3 351.450 2.832 50 0 FFAAHM Cc1ccc(C(=O)N[C@@H](C)c2ccc([O-])c(F)c2)cc1N1CCNC1=O ZINC000091809009 508015188 /nfs/dbraw/zinc/01/51/88/508015188.db2.gz RTARPQODDCOASZ-LBPRGKRZSA-N -1 3 357.385 2.860 50 0 FFAAHM Cc1ccc(CN(Cc2ccccn2)C(=O)c2cnc(C)[n-]c2=O)s1 ZINC000091907767 508023334 /nfs/dbraw/zinc/02/33/34/508023334.db2.gz MIWINOJLKIWDHB-UHFFFAOYSA-N -1 3 354.435 2.686 50 0 FFAAHM COc1ccccc1[C@@H]1CN(Cc2cnc(N(C)C)s2)C[C@H]1C(=O)[O-] ZINC000091914759 508024200 /nfs/dbraw/zinc/02/42/00/508024200.db2.gz PZUBLJFEJVNBEK-LSDHHAIUSA-N -1 3 361.467 2.518 50 0 FFAAHM Cc1nc(-c2ccncc2)ncc1[C@H](C)NC(=O)c1ccc2n[n-]nc2c1 ZINC000092107890 508045608 /nfs/dbraw/zinc/04/56/08/508045608.db2.gz VLQIMOMJLBNAIQ-LBPRGKRZSA-N -1 3 359.393 2.609 50 0 FFAAHM O=S(=O)([N-]Cc1nnc2ccccn21)c1cc(Cl)cc(Cl)c1 ZINC000075568055 508117739 /nfs/dbraw/zinc/11/77/39/508117739.db2.gz XMBIWYGTHVQUES-UHFFFAOYSA-N -1 3 357.222 2.515 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000095251904 508174101 /nfs/dbraw/zinc/17/41/01/508174101.db2.gz XCCQWAIPVYBTNL-DOTOQJQBSA-N -1 3 367.792 2.663 50 0 FFAAHM CCCCn1ccnc1[C@H]1CCCN(Cc2cc(=O)n3[n-]c(C)cc3n2)C1 ZINC000095356056 508174612 /nfs/dbraw/zinc/17/46/12/508174612.db2.gz CRATWQDWKJMLPS-INIZCTEOSA-N -1 3 368.485 2.707 50 0 FFAAHM COc1cc(F)ccc1[C@@H](C(=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000095366750 508177366 /nfs/dbraw/zinc/17/73/66/508177366.db2.gz GALQDRWRCNNPGX-SFHVURJKSA-N -1 3 350.434 2.910 50 0 FFAAHM CCCCNC(=O)Nc1ccc([C@H](C(=O)[O-])N2CCSCC2)cc1 ZINC000095375440 508179666 /nfs/dbraw/zinc/17/96/66/508179666.db2.gz PORIBIAJOIOCNI-OAHLLOKOSA-N -1 3 351.472 2.783 50 0 FFAAHM CCCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000095510552 508192599 /nfs/dbraw/zinc/19/25/99/508192599.db2.gz QDZVYWKLNQZZRU-UHFFFAOYSA-N -1 3 368.481 2.823 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 ZINC000096117543 508206713 /nfs/dbraw/zinc/20/67/13/508206713.db2.gz WFQJFAIAJOSTPR-RISCZKNCSA-N -1 3 374.466 2.881 50 0 FFAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@@H](c1cccnc1)SCC(=O)N2 ZINC000096118079 508206868 /nfs/dbraw/zinc/20/68/68/508206868.db2.gz AMOHRZBMNFDJRW-CQSZACIVSA-N -1 3 362.480 2.827 50 0 FFAAHM O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1ccccc1[O-] ZINC000096585738 508215362 /nfs/dbraw/zinc/21/53/62/508215362.db2.gz IMXKAHONFZQZEA-FOWTUZBSSA-N -1 3 368.414 2.859 50 0 FFAAHM Cc1ccccc1NCc1cc(=O)n2nc(NCc3ccccc3)[n-]c2n1 ZINC000101795789 508257500 /nfs/dbraw/zinc/25/75/00/508257500.db2.gz ZFUBESPIDWQAEN-UHFFFAOYSA-N -1 3 360.421 2.950 50 0 FFAAHM Cc1cccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c1[O-] ZINC000077519274 508327161 /nfs/dbraw/zinc/32/71/61/508327161.db2.gz ZXKODUWSZLZYPO-NRFANRHFSA-N -1 3 356.466 2.955 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)N(C)Cc2cc(Br)cn2C)on1 ZINC000151534745 509038578 /nfs/dbraw/zinc/03/85/78/509038578.db2.gz RWROEQAOFMKFAP-SNVBAGLBSA-N -1 3 355.236 2.543 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)c1 ZINC000227168301 509405809 /nfs/dbraw/zinc/40/58/09/509405809.db2.gz SCPPDZUOGBWFIY-LLVKDONJSA-N -1 3 362.407 2.524 50 0 FFAAHM C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[N-]c1nn(C)c(=O)s1 ZINC000170617604 509681485 /nfs/dbraw/zinc/68/14/85/509681485.db2.gz CEMWSIIKIJFGOX-GFCCVEGCSA-N -1 3 355.419 2.915 50 0 FFAAHM Cn1cc(C[C@@H]2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)C2)cn1 ZINC000170649252 509698704 /nfs/dbraw/zinc/69/87/04/509698704.db2.gz QWRTUWQYUGIGSL-ZDUSSCGKSA-N -1 3 355.438 2.544 50 0 FFAAHM CCN(CCOc1ccccc1C(=O)[O-])Cc1ccc(C(=O)N(C)C)cc1 ZINC000183921575 510040599 /nfs/dbraw/zinc/04/05/99/510040599.db2.gz GJMALONRJQDQTO-UHFFFAOYSA-N -1 3 370.449 2.988 50 0 FFAAHM CCN1CCN([C@H]2CCN(C(=O)c3c([O-])cc(Cl)cc3Cl)C2)CC1 ZINC000175223850 510539369 /nfs/dbraw/zinc/53/93/69/510539369.db2.gz ZYPRILCOAWJROT-ZDUSSCGKSA-N -1 3 372.296 2.551 50 0 FFAAHM CC[C@H](NC(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1nc2cc(C)ccc2[nH]1 ZINC000426428315 513936850 /nfs/dbraw/zinc/93/68/50/513936850.db2.gz VGDAMHLJXZUBIA-ZDUSSCGKSA-N -1 3 366.425 2.852 50 0 FFAAHM CC[C@H](NC(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1nc2ccc(C)cc2[nH]1 ZINC000426428315 513936859 /nfs/dbraw/zinc/93/68/59/513936859.db2.gz VGDAMHLJXZUBIA-ZDUSSCGKSA-N -1 3 366.425 2.852 50 0 FFAAHM CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2cc(=O)[n-]cn2)cc1 ZINC000584885463 518522154 /nfs/dbraw/zinc/52/21/54/518522154.db2.gz FCXMSLWISDZBNR-KRWDZBQOSA-N -1 3 365.437 2.890 50 0 FFAAHM CCc1ccc(Cn2[n-]ccc2=NC(=O)COc2ccccc2OC)cc1 ZINC000606348138 521032476 /nfs/dbraw/zinc/03/24/76/521032476.db2.gz USSRVJYPZWGCCN-UHFFFAOYSA-N -1 3 365.433 2.942 50 0 FFAAHM CCNC(=O)N(Cc1nc(C)c(Cc2cc(C)ccc2C)c(=O)[n-]1)C1CC1 ZINC000085898300 521739474 /nfs/dbraw/zinc/73/94/74/521739474.db2.gz WHOAMHUCPSYLBR-UHFFFAOYSA-N -1 3 368.481 2.980 50 0 FFAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000046074162 570924352 /nfs/dbraw/zinc/92/43/52/570924352.db2.gz YPFHDXRDPUSQSA-LBPRGKRZSA-N -1 3 372.450 2.727 50 0 FFAAHM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCCn1ccc2ccccc21 ZINC000055237808 571144883 /nfs/dbraw/zinc/14/48/83/571144883.db2.gz SOBGCVDLWABLRZ-UHFFFAOYSA-N -1 3 366.874 2.705 50 0 FFAAHM O=S(=O)([N-]Cc1nc(-c2ccccc2Cl)no1)N1CCCCCC1 ZINC000670459166 571356259 /nfs/dbraw/zinc/35/62/59/571356259.db2.gz ZKUKHGHSUXRESF-UHFFFAOYSA-N -1 3 370.862 2.600 50 0 FFAAHM O=C([O-])c1ccccc1OCCN1CCC(NC(=O)C2CCCCC2)CC1 ZINC000183918585 949492618 /nfs/dbraw/zinc/49/26/18/949492618.db2.gz CZBDIMHDJJQSSR-UHFFFAOYSA-N -1 3 374.481 2.925 50 0 FFAAHM COc1cc(OC)cc(C(=O)OCc2nc(=O)c3c(C)c(C)sc3[n-]2)c1 ZINC000003272552 204087124 /nfs/dbraw/zinc/08/71/24/204087124.db2.gz HGTFKLXFVVKMJG-UHFFFAOYSA-N -1 3 374.418 2.976 50 0 FFAAHM Cc1ccc(=O)n(C(C(=O)N2CCCCC2)=C([O-])c2ccc(F)cc2)c1 ZINC000004698909 204157127 /nfs/dbraw/zinc/15/71/27/204157127.db2.gz YPDUIWVQSJROSP-SFHVURJKSA-N -1 3 356.397 2.732 50 0 FFAAHM CCSc1nnc([N-]C(=O)c2ccccc2S(=O)(=O)CC)s1 ZINC000007667467 204301873 /nfs/dbraw/zinc/30/18/73/204301873.db2.gz WBHROXQXGCTAPU-UHFFFAOYSA-N -1 3 357.482 2.696 50 0 FFAAHM Cc1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c([O-])c1 ZINC000009365579 204365433 /nfs/dbraw/zinc/36/54/33/204365433.db2.gz LMNSQSACBDIGKJ-RBZFPXEDSA-N -1 3 373.453 2.776 50 0 FFAAHM C[C@@](O)(CCc1ccccc1)C[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC000075170280 205036183 /nfs/dbraw/zinc/03/61/83/205036183.db2.gz NJFNJXLRCNXWLL-GOSISDBHSA-N -1 3 369.433 2.768 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(OC[C@@H]2CCCO2)cc1)c1cccs1 ZINC000056059586 205227430 /nfs/dbraw/zinc/22/74/30/205227430.db2.gz IXOJKFKQQPHAOO-HNNXBMFYSA-N -1 3 353.465 2.784 50 0 FFAAHM Cn1c(=O)c2ccccc2nc1SCc1noc(-c2ccccc2[O-])n1 ZINC000058226793 205264734 /nfs/dbraw/zinc/26/47/34/205264734.db2.gz ZNXWMTSKDJSCGA-UHFFFAOYSA-N -1 3 366.402 2.981 50 0 FFAAHM Cc1c([O-])ccc2c(CC(=O)N3CC[C@@]4(O)CCCC[C@H]4C3)cc(=O)oc12 ZINC000004073623 206167389 /nfs/dbraw/zinc/16/73/89/206167389.db2.gz YPJHBHYMJRSWQM-BTYIYWSLSA-N -1 3 371.433 2.503 50 0 biogenic FFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCc3ccccc3)cc2O1 ZINC000008764277 206217854 /nfs/dbraw/zinc/21/78/54/206217854.db2.gz HXOZWFLPOMTMDQ-UHFFFAOYSA-N -1 3 355.390 2.831 50 0 biogenic FFAAHM Cc1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)c([O-])c1 ZINC000014076000 206308034 /nfs/dbraw/zinc/30/80/34/206308034.db2.gz WLZCDTUCURMBRT-UHFFFAOYSA-N -1 3 363.211 2.832 50 0 FFAAHM Cc1ccc(NC(=O)CCNS(=O)(=O)c2cccc(Cl)c2)c([O-])c1 ZINC000017410619 206323687 /nfs/dbraw/zinc/32/36/87/206323687.db2.gz OPWKIAGKPFRICP-UHFFFAOYSA-N -1 3 368.842 2.661 50 0 FFAAHM COc1cccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1[O-] ZINC000220275955 206398608 /nfs/dbraw/zinc/39/86/08/206398608.db2.gz SHYNCYHSXFWWRP-ZOJXTTQQSA-N -1 3 369.417 2.578 50 0 FFAAHM Cc1cccc(N2CC[C@H](CNC(=O)c3cc(C(C)(C)C)nc(=O)[n-]3)C2)c1 ZINC000220313636 206399071 /nfs/dbraw/zinc/39/90/71/206399071.db2.gz WUOFISBMCNEMOI-OAHLLOKOSA-N -1 3 368.481 2.632 50 0 FFAAHM Cc1nn(C)c(C)c1[C@@H]1OCC[C@H]1CNC(=O)c1cc([O-])ccc1Cl ZINC000331549321 258190448 /nfs/dbraw/zinc/19/04/48/258190448.db2.gz DNULEIHMVKTVDZ-YVEFUNNKSA-N -1 3 363.845 2.904 50 0 FFAAHM Cc1cc(C)n(Cc2ccc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)o2)n1 ZINC000000653415 506226364 /nfs/dbraw/zinc/22/63/64/506226364.db2.gz YMFREOZEWZRHIZ-OAHLLOKOSA-N -1 3 370.331 2.614 50 0 FFAAHM CCOC(=O)c1c2cc([O-])c(Br)cc2n(C)c1CN(C)C ZINC000000755533 506232296 /nfs/dbraw/zinc/23/22/96/506232296.db2.gz RAAWEGPXSWOQOA-UHFFFAOYSA-N -1 3 355.232 2.885 50 0 FFAAHM CSc1nnc2c(n1)O[C@]1([N-]c3ccccc3-2)c2ccccc2NC1=O ZINC000000822103 506234698 /nfs/dbraw/zinc/23/46/98/506234698.db2.gz BWNXQVYDYHIFEH-GOSISDBHSA-N -1 3 363.402 2.870 50 0 FFAAHM O=C(NCCc1ccccc1)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000000819431 506235803 /nfs/dbraw/zinc/23/58/03/506235803.db2.gz MTAMWULWBQHESB-HXUWFJFHSA-N -1 3 360.413 2.631 50 0 FFAAHM O=C(NC(=S)Nc1ncccc1[O-])c1ccccc1Br ZINC000001004645 506243426 /nfs/dbraw/zinc/24/34/26/506243426.db2.gz OENAUCKNSOMNND-UHFFFAOYSA-N -1 3 352.213 2.677 50 0 FFAAHM CC(C)[N-]S(=O)(=O)c1ccc(Cl)cc1I ZINC000001040967 506245065 /nfs/dbraw/zinc/24/50/65/506245065.db2.gz XJHOYRAZRUQLNW-UHFFFAOYSA-N -1 3 359.616 2.631 50 0 FFAAHM Cc1c(Cl)cccc1[N-]S(=O)(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000001165876 506252578 /nfs/dbraw/zinc/25/25/78/506252578.db2.gz ZNKFZARACQCVNY-UHFFFAOYSA-N -1 3 374.871 2.821 50 0 FFAAHM Cc1c(Cl)cccc1NS(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000001165876 506252584 /nfs/dbraw/zinc/25/25/84/506252584.db2.gz ZNKFZARACQCVNY-UHFFFAOYSA-N -1 3 374.871 2.821 50 0 FFAAHM COc1ccc(Cc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000033276289 506353425 /nfs/dbraw/zinc/35/34/25/506353425.db2.gz AKDFDQRNYIRWHH-UHFFFAOYSA-N -1 3 359.407 2.708 50 0 FFAAHM COc1ccc(Cc2nnc([N-]C(=O)c3cnc4ccccc4n3)o2)cc1 ZINC000038551484 506441099 /nfs/dbraw/zinc/44/10/99/506441099.db2.gz VBRJRYUSADJPQG-UHFFFAOYSA-N -1 3 361.361 2.865 50 0 FFAAHM COc1ccc(-c2cc(=O)[n-]c(N3CCN(c4ccccc4)CC3)n2)cc1 ZINC000009108867 506681080 /nfs/dbraw/zinc/68/10/80/506681080.db2.gz KCULHHZIGAWRQN-UHFFFAOYSA-N -1 3 362.433 2.772 50 0 FFAAHM CC(=O)N1C[C@H](C)Oc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc21 ZINC000009117622 506682956 /nfs/dbraw/zinc/68/29/56/506682956.db2.gz ZETBJELWRGLZOO-ZDUSSCGKSA-N -1 3 360.435 2.930 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCc2cccc(C(F)(F)F)c2)c(=O)[n-]1 ZINC000012603103 506884603 /nfs/dbraw/zinc/88/46/03/506884603.db2.gz BTLDHIUFWJWBHF-UHFFFAOYSA-N -1 3 353.344 2.655 50 0 FFAAHM O=c1[n-]nc(SCc2noc(-c3ccco3)n2)n1CCc1ccccc1 ZINC000012906302 506914486 /nfs/dbraw/zinc/91/44/86/506914486.db2.gz KVAUQNJGLGKNDY-UHFFFAOYSA-N -1 3 369.406 2.749 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)CCC(=O)c2ccc(C)s2)on1 ZINC000014571102 506994443 /nfs/dbraw/zinc/99/44/43/506994443.db2.gz UEFAIBSBACWDEB-NSHDSACASA-N -1 3 350.396 2.886 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cccc(S(C)(=O)=O)c2)c(C)c1 ZINC000014869985 507002509 /nfs/dbraw/zinc/00/25/09/507002509.db2.gz FHMNISLXLMJBLB-UHFFFAOYSA-N -1 3 353.465 2.816 50 0 FFAAHM O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccc2n[n-]nc2c1 ZINC000021527550 507257630 /nfs/dbraw/zinc/25/76/30/507257630.db2.gz OTUIBNYEGLGJGZ-UHFFFAOYSA-N -1 3 353.363 2.591 50 0 FFAAHM O=C(CSc1n[n-]c([C@H]2CCCO2)n1)Nc1ccccc1OC(F)F ZINC000022543942 507297611 /nfs/dbraw/zinc/29/76/11/507297611.db2.gz WTXXXXZSXJOKIB-LLVKDONJSA-N -1 3 370.381 2.988 50 0 FFAAHM Cc1n[nH]c(C)c1CN(C)Cc1ccc(-c2nc3c(c(=O)[n-]2)CCC3)cc1 ZINC000023430075 507353671 /nfs/dbraw/zinc/35/36/71/507353671.db2.gz LADKTTWEDSJWFE-UHFFFAOYSA-N -1 3 363.465 2.898 50 0 FFAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCN(c2ccccn2)CC1 ZINC000024061256 507389382 /nfs/dbraw/zinc/38/93/82/507389382.db2.gz LYDWMRRILYOMPN-UHFFFAOYSA-N -1 3 358.496 2.844 50 0 FFAAHM Cc1cc(C(=O)N2CCc3c(nc(N)[n-]c3=O)C2)sc1-c1ccccc1 ZINC000071748357 507710289 /nfs/dbraw/zinc/71/02/89/507710289.db2.gz POQOSKBZPSHWSF-UHFFFAOYSA-N -1 3 366.446 2.588 50 0 FFAAHM CCOC(=O)c1cc(CC)sc1[N-]C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000028605148 507731562 /nfs/dbraw/zinc/73/15/62/507731562.db2.gz HMHINWAYTCMIDD-UHFFFAOYSA-N -1 3 373.438 2.794 50 0 FFAAHM Cc1nc([C@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)cc(=O)[n-]1 ZINC000072431491 507789933 /nfs/dbraw/zinc/78/99/33/507789933.db2.gz QDMJXLLOMLNVGJ-HNNXBMFYSA-N -1 3 367.478 2.976 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCN(CCCc2ccccc2)[C@H](CCO)C1 ZINC000072454522 507792978 /nfs/dbraw/zinc/79/29/78/507792978.db2.gz IAMIQJCOANZPCA-LJQANCHMSA-N -1 3 368.477 2.534 50 0 FFAAHM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1[O-] ZINC000089618901 507851190 /nfs/dbraw/zinc/85/11/90/507851190.db2.gz HLCLTCYFHFBGKF-GOSISDBHSA-N -1 3 351.406 2.868 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccc(F)c(F)c1 ZINC000079493217 507967911 /nfs/dbraw/zinc/96/79/11/507967911.db2.gz RIUJMSHOZVRMIC-UHFFFAOYSA-N -1 3 359.336 2.843 50 0 FFAAHM Cc1ncc(C(=O)N2CCc3c4ccccc4[nH]c3[C@@H]2C(C)C)c(=O)[n-]1 ZINC000091474605 507988342 /nfs/dbraw/zinc/98/83/42/507988342.db2.gz XWYZETZZMHVEQM-SFHVURJKSA-N -1 3 350.422 2.955 50 0 FFAAHM Cc1ccc2[nH]c([C@@H](C)NC(=O)c3cnc(-c4ccccn4)[n-]c3=O)nc2c1 ZINC000091624591 507997016 /nfs/dbraw/zinc/99/70/16/507997016.db2.gz UNVQZUVSXTZGEU-GFCCVEGCSA-N -1 3 374.404 2.920 50 0 FFAAHM Cc1ccc2nc([C@@H](C)NC(=O)c3cnc(-c4ccccn4)[n-]c3=O)[nH]c2c1 ZINC000091624591 507997018 /nfs/dbraw/zinc/99/70/18/507997018.db2.gz UNVQZUVSXTZGEU-GFCCVEGCSA-N -1 3 374.404 2.920 50 0 FFAAHM C[C@@H]1CCC[C@H](C)N1CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000091915075 508024402 /nfs/dbraw/zinc/02/44/02/508024402.db2.gz LHDAVQCSMNVTSJ-IHETXDGRSA-N -1 3 362.445 2.715 50 0 FFAAHM Cc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c(F)c1 ZINC000095380609 508181153 /nfs/dbraw/zinc/18/11/53/508181153.db2.gz ZDVRSQYZEGNKJH-LJQANCHMSA-N -1 3 357.429 2.863 50 0 FFAAHM Cc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c(F)c1 ZINC000095380608 508181275 /nfs/dbraw/zinc/18/12/75/508181275.db2.gz ZDVRSQYZEGNKJH-IBGZPJMESA-N -1 3 357.429 2.863 50 0 FFAAHM COc1ccc2c(c1)CCN2C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000095390031 508183651 /nfs/dbraw/zinc/18/36/51/508183651.db2.gz GWYYYFJZILYLBD-GOSISDBHSA-N -1 3 366.417 2.595 50 0 FFAAHM COc1cc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)ccc1[O-] ZINC000096135913 508207866 /nfs/dbraw/zinc/20/78/66/508207866.db2.gz FGDXMCKSTGZLTA-UHFFFAOYSA-N -1 3 363.417 2.844 50 0 FFAAHM COC(=O)c1nc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)sc1C ZINC000096232697 508211889 /nfs/dbraw/zinc/21/18/89/508211889.db2.gz BPCPTWXKCZXLCP-UHFFFAOYSA-N -1 3 370.390 2.773 50 0 FFAAHM O=C([N-]c1nc2n(n1)[C@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccco1 ZINC000097954822 508231093 /nfs/dbraw/zinc/23/10/93/508231093.db2.gz MWFKSJPMANAQPU-NSHDSACASA-N -1 3 357.757 2.708 50 0 FFAAHM O=C([O-])Cc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077517939 508326793 /nfs/dbraw/zinc/32/67/93/508326793.db2.gz UDZHDRDJGFFZSA-NRFANRHFSA-N -1 3 356.466 2.681 50 0 FFAAHM Cc1ccc(F)c([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c1 ZINC000227168330 509405937 /nfs/dbraw/zinc/40/59/37/509405937.db2.gz YLDHQURBLNRNLP-JTQLQIEISA-N -1 3 350.371 2.654 50 0 FFAAHM COC(=O)C[C@@H](c1ccc(OC)c(O)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253412503 509879178 /nfs/dbraw/zinc/87/91/78/509879178.db2.gz REOZKRLSNDNDPM-ZDUSSCGKSA-N -1 3 370.357 2.908 50 0 biogenic FFAAHM CCN(CC(F)(F)F)C(=O)c1ccc(-c2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000426433653 513938387 /nfs/dbraw/zinc/93/83/87/513938387.db2.gz MFFLWXNKIADMFU-UHFFFAOYSA-N -1 3 355.316 2.888 50 0 FFAAHM O=C(NCCCN1CCCC1=O)c1ccc(-c2ccc(F)cc2[O-])cc1 ZINC000426444820 513942735 /nfs/dbraw/zinc/94/27/35/513942735.db2.gz ADAKAKVVBJTJDE-UHFFFAOYSA-N -1 3 356.397 2.941 50 0 FFAAHM C[C@H]1CN(C)c2ccccc2N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000582214696 518640110 /nfs/dbraw/zinc/64/01/10/518640110.db2.gz UEUKHAKFKQUZOD-AWEZNQCLSA-N -1 3 373.478 2.791 50 0 FFAAHM CC(C)[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1cnc[n-]c1=O ZINC000299785382 519828914 /nfs/dbraw/zinc/82/89/14/519828914.db2.gz YMCRIIIMKLLWKT-IBGZPJMESA-N -1 3 350.422 2.988 50 0 FFAAHM C[C@@](O)(C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccsc1 ZINC000618255515 520966524 /nfs/dbraw/zinc/96/65/24/520966524.db2.gz SACINIFYFDEBGS-LBPRGKRZSA-N -1 3 351.902 2.735 50 0 FFAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3cnc4ccccc4n3)c2)n1 ZINC000047317512 570885958 /nfs/dbraw/zinc/88/59/58/570885958.db2.gz SJSISBJENZNHQD-UHFFFAOYSA-N -1 3 357.373 2.941 50 0 FFAAHM O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCc2c(=O)[n-]cnc2C1 ZINC000584908530 845947543 /nfs/dbraw/zinc/94/75/43/845947543.db2.gz PWHYEYLSDJDYAP-UHFFFAOYSA-N -1 3 354.288 2.671 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2c1cccc2F ZINC000184298496 992714526 /nfs/dbraw/zinc/71/45/26/992714526.db2.gz ICUFSCHCIUGUPM-QGZVFWFLSA-N -1 3 354.381 2.725 50 0 FFAAHM Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000887557442 1028866370 /nfs/dbraw/zinc/86/63/70/1028866370.db2.gz NVGDSTIPQRSYQI-AWEZNQCLSA-N -1 3 373.478 2.744 50 0 FFAAHM C[C@@H](c1ccccc1)N1CCn2c3ccc([N-]S(C)(=O)=O)cc3nc2C1 ZINC000001079520 219366845 /nfs/dbraw/zinc/36/68/45/219366845.db2.gz GLKOCNVIMGSYIJ-AWEZNQCLSA-N -1 3 370.478 2.985 50 0 FFAAHM CCS(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3cccs3)o2)cc1 ZINC000004585912 209423185 /nfs/dbraw/zinc/42/31/85/209423185.db2.gz DTRFKOKIFNKGNX-UHFFFAOYSA-N -1 3 363.420 2.844 50 0 FFAAHM O=c1cc(C(F)(F)F)nc(C[S@@](=O)Cc2csc(C3CC3)n2)[n-]1 ZINC000134439238 209371765 /nfs/dbraw/zinc/37/17/65/209371765.db2.gz GDLUBAUTOHTTIK-HSZRJFAPSA-N -1 3 363.386 2.984 50 0 FFAAHM O=C1[C@@H]2C(c3cccnc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000101358862 209225088 /nfs/dbraw/zinc/22/50/88/209225088.db2.gz SPMGQJALCBNZAT-TZMCWYRMSA-N -1 3 362.172 2.681 50 0 FFAAHM CO[C@H]1CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C1 ZINC000097759330 209196783 /nfs/dbraw/zinc/19/67/83/209196783.db2.gz VFZKMXTXIWCCAG-SFHVURJKSA-N -1 3 356.422 2.823 50 0 FFAAHM O=C(NCc1nc(-c2ccccc2)cs1)c1ccccc1-c1nnn[n-]1 ZINC000097757898 209194593 /nfs/dbraw/zinc/19/45/93/209194593.db2.gz ZOCIVHVOVCWPMH-UHFFFAOYSA-N -1 3 362.418 2.920 50 0 FFAAHM O=C(NCc1nc(-c2ccccc2)cs1)c1ccccc1-c1nn[n-]n1 ZINC000097757898 209194597 /nfs/dbraw/zinc/19/45/97/209194597.db2.gz ZOCIVHVOVCWPMH-UHFFFAOYSA-N -1 3 362.418 2.920 50 0 FFAAHM Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccc(Cl)s3)C2=O)cc1 ZINC000096396163 209151466 /nfs/dbraw/zinc/15/14/66/209151466.db2.gz QCYVKVWMPGOIPW-GFCCVEGCSA-N -1 3 370.883 2.794 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Br)o1 ZINC000044316478 209316807 /nfs/dbraw/zinc/31/68/07/209316807.db2.gz UBRWOVFZXVNVOD-UHFFFAOYSA-N -1 3 359.201 2.666 50 0 FFAAHM COc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000004938103 207064286 /nfs/dbraw/zinc/06/42/86/207064286.db2.gz IDPVZFFGLAHIPS-UHFFFAOYSA-N -1 3 360.435 2.632 50 0 FFAAHM C[C@H](NC(=O)COC(=O)c1ccc([O-])cc1O)C12CC3CC(CC(C3)C1)C2 ZINC000005104042 207079945 /nfs/dbraw/zinc/07/99/45/207079945.db2.gz RQJOPJMDMMQAAO-PXRHCINRSA-N -1 3 373.449 2.976 50 0 FFAAHM Cc1cc(=O)n2nc(NCc3ccc(OCc4ccccc4)cc3)[n-]c2n1 ZINC000005577477 207107795 /nfs/dbraw/zinc/10/77/95/207107795.db2.gz STCMCCHERUOOQU-UHFFFAOYSA-N -1 3 361.405 2.917 50 0 FFAAHM COc1cc(/C=c2/sc3nc4ccccc4n3c2=O)cc(Cl)c1[O-] ZINC000005634280 207109354 /nfs/dbraw/zinc/10/93/54/207109354.db2.gz JSSYOUYULPZJJS-RIYZIHGNSA-N -1 3 358.806 2.825 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)N1 ZINC000006394972 207139531 /nfs/dbraw/zinc/13/95/31/207139531.db2.gz VCTPHYFMWLLDFM-ZBEGNZNMSA-N -1 3 356.344 2.802 50 0 FFAAHM O=C([N-]c1nnc(CS(=O)(=O)c2ccccc2)s1)c1cccs1 ZINC000009426457 207271539 /nfs/dbraw/zinc/27/15/39/207271539.db2.gz RKUFYZZABSFVNO-UHFFFAOYSA-N -1 3 365.461 2.826 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000010490424 207301893 /nfs/dbraw/zinc/30/18/93/207301893.db2.gz SELPSXLJZFZVSC-VIFPVBQESA-N -1 3 374.796 2.924 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 ZINC000011611471 207314628 /nfs/dbraw/zinc/31/46/28/207314628.db2.gz PTJSKOMZLPJXNL-UHFFFAOYSA-N -1 3 356.350 2.912 50 0 FFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3CC)cc1 ZINC000017289016 207615859 /nfs/dbraw/zinc/61/58/59/207615859.db2.gz ZHZBALSECKMNKU-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCCOc1ccccc1Cl ZINC000031618095 208013183 /nfs/dbraw/zinc/01/31/83/208013183.db2.gz UVHGBZRIQHSYNA-UHFFFAOYSA-N -1 3 354.815 2.689 50 0 FFAAHM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000032679015 208035079 /nfs/dbraw/zinc/03/50/79/208035079.db2.gz NRPFOUQMHDILBD-UHFFFAOYSA-N -1 3 358.419 2.549 50 0 FFAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@]1(O)CCc2ccccc21 ZINC000075155733 208192807 /nfs/dbraw/zinc/19/28/07/208192807.db2.gz VFUUWAOOMFSKMX-KRWDZBQOSA-N -1 3 351.855 2.593 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)S(=O)(=O)Cc2c(F)cccc2Cl)on1 ZINC000040127597 208231561 /nfs/dbraw/zinc/23/15/61/208231561.db2.gz YVUGPYHKFSSDIT-SECBINFHSA-N -1 3 360.794 2.718 50 0 FFAAHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc2c(cc1[O-])OCO2 ZINC000040153782 208238601 /nfs/dbraw/zinc/23/86/01/208238601.db2.gz OHTLPMWVZANMRD-AWEZNQCLSA-N -1 3 357.362 2.931 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000095099923 209020817 /nfs/dbraw/zinc/02/08/17/209020817.db2.gz WCNZWIDVPLBKFT-DOTOQJQBSA-N -1 3 367.792 2.663 50 0 FFAAHM Cc1ccc(F)c(S(=O)(=O)[N-]C2CCN(c3cccc(C)n3)CC2)c1 ZINC000078766069 132191928 /nfs/dbraw/zinc/19/19/28/132191928.db2.gz KTUSRGIYWJQTIS-UHFFFAOYSA-N -1 3 363.458 2.785 50 0 FFAAHM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(c1cc(C)nc3ccccc31)CC2 ZINC000082109662 132195535 /nfs/dbraw/zinc/19/55/35/132195535.db2.gz DJRIKJIBFHCKBC-LJQANCHMSA-N -1 3 367.449 2.835 50 0 FFAAHM CCCN(C(=O)c1cccc(-c2c[nH]c(=O)[n-]c2=O)c1)[C@@H]1CCCC[C@H]1O ZINC000426487994 263603397 /nfs/dbraw/zinc/60/33/97/263603397.db2.gz KSMPIFUHOAECLP-IAGOWNOFSA-N -1 3 371.437 2.711 50 0 FFAAHM Cc1[nH]c(=O)[n-]c(=O)c1-c1ccc(C(=O)N(C)CCC[C@H]2CCCO2)cc1 ZINC000426535919 263626154 /nfs/dbraw/zinc/62/61/54/263626154.db2.gz QYWPXUKUOHNMIZ-INIZCTEOSA-N -1 3 371.437 2.894 50 0 FFAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F ZINC000002333893 506278126 /nfs/dbraw/zinc/27/81/26/506278126.db2.gz VBKBFNSLHIHJGN-NSHDSACASA-N -1 3 359.222 2.500 50 0 FFAAHM CCN(C(=O)OC(C)C)c1ccc([C@]([O-])(C(=O)OC)C(F)(F)F)cc1 ZINC000003118566 506311727 /nfs/dbraw/zinc/31/17/27/506311727.db2.gz ADVQUVOMBZIUET-HNNXBMFYSA-N -1 3 363.332 2.981 50 0 FFAAHM CCNC(=O)NC(=O)[C@@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000003521479 506340099 /nfs/dbraw/zinc/34/00/99/506340099.db2.gz QCGNBWNLRBKTSL-MRVPVSSYSA-N -1 3 369.447 2.747 50 0 FFAAHM Cc1ccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000003907489 506353884 /nfs/dbraw/zinc/35/38/84/506353884.db2.gz DNHIBKHNRNSXCV-MRXNPFEDSA-N -1 3 366.508 2.676 50 0 FFAAHM O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)[N-]C2=O ZINC000004263873 506367573 /nfs/dbraw/zinc/36/75/73/506367573.db2.gz SMRCEJYGQFMDOL-UHFFFAOYSA-N -1 3 365.172 2.895 50 0 FFAAHM CN1CCN(c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000004297046 506370218 /nfs/dbraw/zinc/37/02/18/506370218.db2.gz QIYUSLKMNIXDDN-UHFFFAOYSA-N -1 3 365.886 2.893 50 0 FFAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3Cl)cc3c2N1CC3 ZINC000005153592 506425955 /nfs/dbraw/zinc/42/59/55/506425955.db2.gz ZKFKAENSQMDRHC-UHFFFAOYSA-N -1 3 362.838 2.976 50 0 FFAAHM COC(=O)c1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000005910240 506461763 /nfs/dbraw/zinc/46/17/63/506461763.db2.gz LGZGOHXTBJSWFV-SJORKVTESA-N -1 3 350.374 2.643 50 0 FFAAHM N=C1Nc2nc3ccccc3n2[C@@H](c2ccc([O-])c(Br)c2)N1 ZINC000008704729 506662330 /nfs/dbraw/zinc/66/23/30/506662330.db2.gz YVKLLLRVYNDFRI-ZDUSSCGKSA-N -1 3 358.199 2.601 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1F ZINC000009528429 506701453 /nfs/dbraw/zinc/70/14/53/506701453.db2.gz CIEQBPJDNDMSJD-HNNXBMFYSA-N -1 3 370.471 2.507 50 0 FFAAHM COC(=O)[C@@H](C)Sc1nc2c(cnn2-c2cccc(Cl)c2)c(=O)[n-]1 ZINC000009521397 506701943 /nfs/dbraw/zinc/70/19/43/506701943.db2.gz FKKDGKDZCKAQOC-MRVPVSSYSA-N -1 3 364.814 2.828 50 0 FFAAHM O=C(C=Cc1cnn(-c2ccccc2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000012809011 506903490 /nfs/dbraw/zinc/90/34/90/506903490.db2.gz MTXPDTADIJKOSY-MDZDMXLPSA-N -1 3 357.377 2.704 50 0 FFAAHM O=C(C=Cc1cnn(-c2ccccc2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000012809011 506903499 /nfs/dbraw/zinc/90/34/99/506903499.db2.gz MTXPDTADIJKOSY-MDZDMXLPSA-N -1 3 357.377 2.704 50 0 FFAAHM O=C(Nc1ccc(C(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1)c1ccco1 ZINC000012808350 506903625 /nfs/dbraw/zinc/90/36/25/506903625.db2.gz XWWPNNYZEXZALZ-UHFFFAOYSA-N -1 3 374.360 2.964 50 0 FFAAHM O=C(Nc1ccc(C(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1)c1ccco1 ZINC000012808350 506903626 /nfs/dbraw/zinc/90/36/26/506903626.db2.gz XWWPNNYZEXZALZ-UHFFFAOYSA-N -1 3 374.360 2.964 50 0 FFAAHM CC(C)(Oc1ccc(Cl)cc1)C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000015003506 507010876 /nfs/dbraw/zinc/01/08/76/507010876.db2.gz ZJYPIEJWQRJXRG-UHFFFAOYSA-N -1 3 358.781 2.825 50 0 FFAAHM Cc1cc(=O)[n-]c(CCNC(=O)c2cccc(-c3cccc(F)c3)c2)n1 ZINC000067842269 507023515 /nfs/dbraw/zinc/02/35/15/507023515.db2.gz ZAQNNNUOVZHJOH-UHFFFAOYSA-N -1 3 351.381 2.857 50 0 FFAAHM COc1cc(Cl)c(C)cc1NC(=O)CSc1[n-]c(=O)nnc1C ZINC000015859732 507065059 /nfs/dbraw/zinc/06/50/59/507065059.db2.gz VQUUFJSWNZIDRL-UHFFFAOYSA-N -1 3 354.819 2.587 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(Cc2cccnc2)CC1 ZINC000020714313 507232317 /nfs/dbraw/zinc/23/23/17/507232317.db2.gz OYYLWQSVPVZPPO-IBGZPJMESA-N -1 3 350.422 2.506 50 0 FFAAHM O=C([N-]c1nncs1)c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000021215098 507249325 /nfs/dbraw/zinc/24/93/25/507249325.db2.gz YKGQYMIFODGVGV-UHFFFAOYSA-N -1 3 355.423 2.617 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)NCCCCCCC(C)C ZINC000022993190 507323108 /nfs/dbraw/zinc/32/31/08/507323108.db2.gz IVSMWCCRRBHGMX-UHFFFAOYSA-N -1 3 373.519 2.683 50 0 FFAAHM COC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)c(F)cc1F ZINC000024428178 507410400 /nfs/dbraw/zinc/41/04/00/507410400.db2.gz JMKHBSJRRBPASW-UHFFFAOYSA-N -1 3 369.345 2.755 50 0 FFAAHM CCc1cccc([N-]S(=O)(=O)c2ccc(OCCC(=O)OC)cc2)c1 ZINC000048340814 507503527 /nfs/dbraw/zinc/50/35/27/507503527.db2.gz MHUDADKCABFHEY-UHFFFAOYSA-N -1 3 363.435 2.992 50 0 FFAAHM O=c1cc(-c2cccnc2)nc(-c2cccc(CN3CCCOCC3)c2)[n-]1 ZINC000048482701 507528207 /nfs/dbraw/zinc/52/82/07/507528207.db2.gz KOTOYUJQORLSRQ-UHFFFAOYSA-N -1 3 362.433 2.721 50 0 FFAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccccn2)c1 ZINC000027950287 507695935 /nfs/dbraw/zinc/69/59/35/507695935.db2.gz UDIXYBBICGFIKV-SNVBAGLBSA-N -1 3 354.815 2.561 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@]21c2cc(Cl)ccc2N(C)C1=O ZINC000071279410 507698938 /nfs/dbraw/zinc/69/89/38/507698938.db2.gz CYBWTKPPHXPJBR-QGZVFWFLSA-N -1 3 360.801 2.665 50 0 FFAAHM COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1 ZINC000072301573 507773421 /nfs/dbraw/zinc/77/34/21/507773421.db2.gz BLVURHCSIMYTRR-HUUCEWRRSA-N -1 3 369.421 2.663 50 0 FFAAHM Cn1cc(CN2CCC(C(=O)[O-])(n3ccnc3)CC2)c2cc(F)ccc21 ZINC000072422694 507787545 /nfs/dbraw/zinc/78/75/45/507787545.db2.gz SQOUMAMSLSRNQR-UHFFFAOYSA-N -1 3 356.401 2.590 50 0 FFAAHM O=C([O-])C1(n2ccnc2)CCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC000072475943 507796358 /nfs/dbraw/zinc/79/63/58/507796358.db2.gz XUVVZDNWQLBYKO-UHFFFAOYSA-N -1 3 354.385 2.646 50 0 FFAAHM CCOc1ccc(-c2ccnc(NC3CCN(C)CC3)n2)cc1C(=O)[O-] ZINC000072479323 507797479 /nfs/dbraw/zinc/79/74/79/507797479.db2.gz HXAJUYFHJZIEPG-UHFFFAOYSA-N -1 3 356.426 2.747 50 0 FFAAHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1CO)c1ccccc1C(F)(F)F ZINC000089813320 507869615 /nfs/dbraw/zinc/86/96/15/507869615.db2.gz KLOHERXIXPHUFI-WCQYABFASA-N -1 3 351.390 2.925 50 0 FFAAHM COc1cc2c(cc1CN1C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C1)OCO2 ZINC000091746899 508007708 /nfs/dbraw/zinc/00/77/08/508007708.db2.gz HNZJFHKMMCVDPB-JKSUJKDBSA-N -1 3 355.390 2.724 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)[C@H]1CON(C)[C@H]1c1ccccc1F)c1ccccc1 ZINC000248382938 509281259 /nfs/dbraw/zinc/28/12/59/509281259.db2.gz YOTFMCYXWYJHPJ-KKXDTOCCSA-N -1 3 364.442 2.793 50 0 FFAAHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000222027672 509309864 /nfs/dbraw/zinc/30/98/64/509309864.db2.gz VHVNOVYSPIXHAE-HJWRWDBZSA-N -1 3 361.814 2.933 50 0 FFAAHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000222027672 509309870 /nfs/dbraw/zinc/30/98/70/509309870.db2.gz VHVNOVYSPIXHAE-HJWRWDBZSA-N -1 3 361.814 2.933 50 0 FFAAHM COC(=O)[C@@]12CCC[C@H]1CN(C(=O)c1c[n-]c3c(C)cccc3c1=O)C2 ZINC000166050785 509594514 /nfs/dbraw/zinc/59/45/14/509594514.db2.gz UAZSPGGPSREPHV-RNODOKPDSA-N -1 3 354.406 2.664 50 0 FFAAHM Cc1ccccc1[C@@]1(O)CCN(CCC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000252483639 509839482 /nfs/dbraw/zinc/83/94/82/509839482.db2.gz FGHMHPVVMXCNTI-LJQANCHMSA-N -1 3 374.462 2.677 50 0 FFAAHM COc1ccc(NC(=O)[C@@H](CC(C)C)n2cccc2)cc1-c1nnn[n-]1 ZINC000253409074 509878781 /nfs/dbraw/zinc/87/87/81/509878781.db2.gz LJKPPEQNIOOBTI-OAHLLOKOSA-N -1 3 354.414 2.903 50 0 FFAAHM COc1ccc(NC(=O)[C@@H](CC(C)C)n2cccc2)cc1-c1nn[n-]n1 ZINC000253409074 509878787 /nfs/dbraw/zinc/87/87/87/509878787.db2.gz LJKPPEQNIOOBTI-OAHLLOKOSA-N -1 3 354.414 2.903 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCN(Cc2ccn(-c3ccccc3)n2)CC1 ZINC000174612319 510206363 /nfs/dbraw/zinc/20/63/63/510206363.db2.gz ZRYWPNZMKGTXRB-UHFFFAOYSA-N -1 3 362.433 2.536 50 0 FFAAHM O=C(Cc1ccc([O-])c(F)c1)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082097523 527236838 /nfs/dbraw/zinc/23/68/38/527236838.db2.gz FXLAIQOFZKNHSF-UHFFFAOYSA-N -1 3 362.788 2.603 50 0 FFAAHM COc1ccccc1-c1nc(NC(=O)Cc2ccc(C)c(OC)c2)n[n-]1 ZINC000048356173 570949996 /nfs/dbraw/zinc/94/99/96/570949996.db2.gz KKEDGRHVHIQYSQ-UHFFFAOYSA-N -1 3 352.394 2.979 50 0 FFAAHM CCc1cc2c(CN3CCC[C@@H]3[C@H](O)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000109757956 571059455 /nfs/dbraw/zinc/05/94/55/571059455.db2.gz BDUTXTKXNRRFAI-DYVFJYSZSA-N -1 3 371.355 2.949 50 0 FFAAHM COc1ccccc1OCc1n[n-]c(-c2cc(C(C)(C)C)[nH]c(=O)n2)n1 ZINC000824827493 999266361 /nfs/dbraw/zinc/26/63/61/999266361.db2.gz CBUPQIKTZQNJGV-UHFFFAOYSA-N -1 3 355.398 2.852 50 0 FFAAHM COc1ccccc1OCc1nnc(-c2cc(C(C)(C)C)[nH]c(=O)n2)[n-]1 ZINC000824827493 999266368 /nfs/dbraw/zinc/26/63/68/999266368.db2.gz CBUPQIKTZQNJGV-UHFFFAOYSA-N -1 3 355.398 2.852 50 0 FFAAHM COc1ccccc1OCc1nc(-c2cc(C(C)(C)C)[nH]c(=O)n2)n[n-]1 ZINC000824827493 999266373 /nfs/dbraw/zinc/26/63/73/999266373.db2.gz CBUPQIKTZQNJGV-UHFFFAOYSA-N -1 3 355.398 2.852 50 0 FFAAHM CCS(=O)(=O)[N-]c1cnn(Cc2ncc(C(F)(F)F)cc2Cl)c1 ZINC000263639899 210006319 /nfs/dbraw/zinc/00/63/19/210006319.db2.gz NSGPCOGRUOHXMI-UHFFFAOYSA-N -1 3 368.768 2.760 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2cccc(F)c2)N1 ZINC000006263578 209452680 /nfs/dbraw/zinc/45/26/80/209452680.db2.gz KIQIIJJPEZPKAY-ZDUSSCGKSA-N -1 3 350.337 2.918 50 0 FFAAHM CCOc1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000002125673 209395238 /nfs/dbraw/zinc/39/52/38/209395238.db2.gz PPNKTDMWBDVVMC-CRAIPNDOSA-N -1 3 352.390 2.961 50 0 biogenic FFAAHM O=c1nc2[n-]c3sc4c(c3c(=O)n2nc1-c1ccccc1)CCCC4 ZINC000001324027 209388051 /nfs/dbraw/zinc/38/80/51/209388051.db2.gz FFIDZKUCWOJAON-UHFFFAOYSA-N -1 3 350.403 2.951 50 0 FFAAHM O=C1[C@@H]2C(c3ccc(Br)cc3)=NOC2=C([O-])N1c1ccccc1 ZINC000100868046 209219362 /nfs/dbraw/zinc/21/93/62/209219362.db2.gz YPDRASQSXVWKSJ-HIFRSBDPSA-N -1 3 371.190 2.742 50 0 FFAAHM O=C(c1ccc2cccc(Cl)c2n1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000097553339 209185823 /nfs/dbraw/zinc/18/58/23/209185823.db2.gz LSIPZCVCMNSIIC-ZDUSSCGKSA-N -1 3 368.824 2.991 50 0 FFAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([S@](C)=O)c2)cc1C ZINC000097001781 209167122 /nfs/dbraw/zinc/16/71/22/209167122.db2.gz HZPDDLGNKZTLMM-JOCHJYFZSA-N -1 3 353.465 2.850 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)cc1Cl ZINC000001065539 206859103 /nfs/dbraw/zinc/85/91/03/206859103.db2.gz OUISBIZJDQQHEE-UHFFFAOYSA-N -1 3 355.799 2.921 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSCc2ccccc2)cc1 ZINC000004757001 207046402 /nfs/dbraw/zinc/04/64/02/207046402.db2.gz YZNIEPPREAUHLD-UHFFFAOYSA-N -1 3 364.492 2.721 50 0 FFAAHM Cc1ccc(-n2c(SCC(N)=O)nnc2-c2ccccc2[O-])c(C)c1 ZINC000004841589 207054449 /nfs/dbraw/zinc/05/44/49/207054449.db2.gz ITMUJSCKSDAZOF-UHFFFAOYSA-N -1 3 354.435 2.834 50 0 FFAAHM COc1cccc(-c2nc3ccccc3c(=O)n2[N-]C(=O)c2cccnc2)c1 ZINC000005205881 207087666 /nfs/dbraw/zinc/08/76/66/207087666.db2.gz HNJHWGRCDKJHKO-UHFFFAOYSA-N -1 3 372.384 2.851 50 0 FFAAHM COc1cc(C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)ccc1OC(F)F ZINC000006394499 207139243 /nfs/dbraw/zinc/13/92/43/207139243.db2.gz WZPBSOUQSPOJFH-CYBMUJFWSA-N -1 3 368.258 2.769 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2F)N1 ZINC000006394830 207139925 /nfs/dbraw/zinc/13/99/25/207139925.db2.gz HPBSYYHQRWWLMK-ZDUSSCGKSA-N -1 3 350.337 2.918 50 0 FFAAHM CCC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(OC)cc3)ccc21 ZINC000006729022 207157720 /nfs/dbraw/zinc/15/77/20/207157720.db2.gz LTBRCCNNRPSSNE-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM COc1ccc2c(c1)[nH]c(C(=O)[O-])c2CNCc1ccc2c(c1)OCO2 ZINC000006894397 207176287 /nfs/dbraw/zinc/17/62/87/207176287.db2.gz JHGSKDQYJPGZSS-UHFFFAOYSA-N -1 3 354.362 2.893 50 0 FFAAHM CCOC(=O)c1c(C)oc2nc(COc3ccc(C(C)=O)cc3)[n-]c(=O)c21 ZINC000008216799 207223430 /nfs/dbraw/zinc/22/34/30/207223430.db2.gz UYMLHMALWUVSGT-UHFFFAOYSA-N -1 3 370.361 2.783 50 0 FFAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@@H]1CCCO1 ZINC000009751854 207285536 /nfs/dbraw/zinc/28/55/36/207285536.db2.gz RYHQTRWBYGZFPH-INIZCTEOSA-N -1 3 364.398 2.744 50 0 FFAAHM COc1ccc(C)cc1[C@H](C)NC(=O)CCc1c(C)[nH]c(=S)[n-]c1=O ZINC000010087823 207294482 /nfs/dbraw/zinc/29/44/82/207294482.db2.gz JMXUYOOBFKZSOW-LBPRGKRZSA-N -1 3 361.467 2.868 50 0 FFAAHM Cc1ccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)cc1 ZINC000011450567 207313380 /nfs/dbraw/zinc/31/33/80/207313380.db2.gz HKQMMUCKBSNSDN-UHFFFAOYSA-N -1 3 364.492 2.640 50 0 FFAAHM Cc1cccc(OCCNC(=O)CSc2nnc(-c3ccco3)[n-]2)c1 ZINC000032873581 208051525 /nfs/dbraw/zinc/05/15/25/208051525.db2.gz LXEKYCRKGRDOBM-UHFFFAOYSA-N -1 3 358.423 2.660 50 0 FFAAHM Cc1cccc(OCCNC(=O)CSc2nc(-c3ccco3)n[n-]2)c1 ZINC000032873581 208051529 /nfs/dbraw/zinc/05/15/29/208051529.db2.gz LXEKYCRKGRDOBM-UHFFFAOYSA-N -1 3 358.423 2.660 50 0 FFAAHM Cc1cccc(OCCNC(=O)CSc2n[n-]c(-c3ccco3)n2)c1 ZINC000032873581 208051536 /nfs/dbraw/zinc/05/15/36/208051536.db2.gz LXEKYCRKGRDOBM-UHFFFAOYSA-N -1 3 358.423 2.660 50 0 FFAAHM O=C(Nc1ccccc1[O-])C1CCN(CC[S@@](=O)c2ccccc2)CC1 ZINC000032938023 208060312 /nfs/dbraw/zinc/06/03/12/208060312.db2.gz HZBZMOWEHKLKJV-SANMLTNESA-N -1 3 372.490 2.851 50 0 FFAAHM Cc1cc(C)n(CCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)n1 ZINC000033327070 208086341 /nfs/dbraw/zinc/08/63/41/208086341.db2.gz AQMLAMLEWFLTQP-WFASDCNBSA-N -1 3 358.364 2.529 50 0 FFAAHM Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1cccc2c1ccn2C ZINC000072324430 208186071 /nfs/dbraw/zinc/18/60/71/208186071.db2.gz QGVZVIQICSXTBW-UHFFFAOYSA-N -1 3 362.389 2.541 50 0 biogenic FFAAHM COc1cccc(-c2noc(C[N-]S(=O)(=O)c3ccc(C)cc3)n2)c1 ZINC000041153623 208282781 /nfs/dbraw/zinc/28/27/81/208282781.db2.gz DKCFXMJAUXZBSB-UHFFFAOYSA-N -1 3 359.407 2.532 50 0 FFAAHM COc1ccc(NC(C)=O)cc1NC(=O)c1c[n-]c2ccc(F)cc2c1=O ZINC000044902776 208323474 /nfs/dbraw/zinc/32/34/74/208323474.db2.gz FNVSCZXLLFHMKE-UHFFFAOYSA-N -1 3 369.352 2.887 50 0 FFAAHM COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2ccc(F)cc2c1[O-] ZINC000044902776 208323484 /nfs/dbraw/zinc/32/34/84/208323484.db2.gz FNVSCZXLLFHMKE-UHFFFAOYSA-N -1 3 369.352 2.887 50 0 FFAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1Cl)OCC(=O)N2 ZINC000021650711 220361790 /nfs/dbraw/zinc/36/17/90/220361790.db2.gz HHOYCIXWQLOJIN-UHFFFAOYSA-N -1 3 370.789 2.919 50 0 FFAAHM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C/C(C)=C/c1ccccc1)CC2 ZINC000091914921 209003762 /nfs/dbraw/zinc/00/37/62/209003762.db2.gz KAIWBUYJSDTJPY-APEZIOSESA-N -1 3 356.466 2.878 50 0 FFAAHM Cc1ccccc1CC(=O)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000095464050 209054859 /nfs/dbraw/zinc/05/48/59/209054859.db2.gz OFACOMQOQRUHGU-JOCHJYFZSA-N -1 3 366.461 2.773 50 0 FFAAHM COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1OC ZINC000095475855 209057437 /nfs/dbraw/zinc/05/74/37/209057437.db2.gz FIMLKOXEOCMPJK-ZDUSSCGKSA-N -1 3 373.409 2.669 50 0 FFAAHM O=C([N-]c1n[nH]c(Cc2ccc(F)cc2)n1)c1csc(NC2CC2)n1 ZINC000095473567 209057594 /nfs/dbraw/zinc/05/75/94/209057594.db2.gz CATOMNSZLMZBAN-UHFFFAOYSA-N -1 3 358.402 2.818 50 0 FFAAHM COc1ccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@@H]2C)c([O-])c1 ZINC000082098159 132194710 /nfs/dbraw/zinc/19/47/10/132194710.db2.gz UNCPXYFLUZVETO-AWEZNQCLSA-N -1 3 354.406 2.587 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)C(F)(F)F)cc2)cc1 ZINC000000674287 506228851 /nfs/dbraw/zinc/22/88/51/506228851.db2.gz HHMYZWKUIUMNNF-UHFFFAOYSA-N -1 3 374.340 2.997 50 0 FFAAHM O=C(NCCc1ccccc1)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000000819432 506234668 /nfs/dbraw/zinc/23/46/68/506234668.db2.gz MTAMWULWBQHESB-FQEVSTJZSA-N -1 3 360.413 2.631 50 0 FFAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(=O)NC)cc1 ZINC000064862379 506236108 /nfs/dbraw/zinc/23/61/08/506236108.db2.gz FEFCNQDFLQDHPS-UHFFFAOYSA-N -1 3 359.451 2.752 50 0 FFAAHM CNC(=O)N1CCC[C@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930891 506241976 /nfs/dbraw/zinc/24/19/76/506241976.db2.gz ZVVDQZAKHPTZND-NSHDSACASA-N -1 3 367.381 2.545 50 0 FFAAHM O=CN1CCN(C(=O)C[C@H](c2ccccc2)c2cc(Cl)ccc2[O-])CC1 ZINC000002412519 506280161 /nfs/dbraw/zinc/28/01/61/506280161.db2.gz QQCZDSYOFRXAFC-QGZVFWFLSA-N -1 3 372.852 2.868 50 0 FFAAHM O=C(COc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)NC1CCCC1 ZINC000002884250 506299726 /nfs/dbraw/zinc/29/97/26/506299726.db2.gz UGWCASVPMDVUQK-UHFFFAOYSA-N -1 3 374.462 2.925 50 0 FFAAHM CCOC(=O)C(=C([O-])c1ccncc1)[C@H](C(=O)OCC)c1ccccc1 ZINC000003130211 506310756 /nfs/dbraw/zinc/31/07/56/506310756.db2.gz MGKGXPHYXFHGHM-SJORKVTESA-N -1 3 355.390 2.791 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2)cc1N ZINC000003885488 506351423 /nfs/dbraw/zinc/35/14/23/506351423.db2.gz MBAUBAQOBWOYFJ-UHFFFAOYSA-N -1 3 357.229 2.841 50 0 FFAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000040005516 506457374 /nfs/dbraw/zinc/45/73/74/506457374.db2.gz DXKVTFCYVVOYHH-AWEZNQCLSA-N -1 3 355.362 2.548 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc21 ZINC000006778712 506505775 /nfs/dbraw/zinc/50/57/75/506505775.db2.gz VFEGQVCTNJTEFP-UHFFFAOYSA-N -1 3 360.435 2.850 50 0 FFAAHM CCc1cc(-c2nc(N)ncc2-c2nncn2-c2ccccc2)c([O-])cc1O ZINC000006787074 506506998 /nfs/dbraw/zinc/50/69/98/506506998.db2.gz KOTQOJQALPLVOS-UHFFFAOYSA-N -1 3 374.404 2.947 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)NCCOc2ccc3c(c2)CCC3)c1 ZINC000055320355 506726822 /nfs/dbraw/zinc/72/68/22/506726822.db2.gz ATXSKHCDLVHJSS-UHFFFAOYSA-N -1 3 354.406 2.648 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccco1 ZINC000010186509 506730865 /nfs/dbraw/zinc/73/08/65/506730865.db2.gz VJDHBAJFOXXNKK-CYBMUJFWSA-N -1 3 367.199 2.614 50 0 FFAAHM Cc1csc2nc([O-])c(C(=O)N[C@@H](C)CCc3ccccc3)c(=O)n12 ZINC000010166731 506731057 /nfs/dbraw/zinc/73/10/57/506731057.db2.gz LLSZVASOHNDDKJ-NSHDSACASA-N -1 3 357.435 2.521 50 0 FFAAHM C[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)N1CCOCC1 ZINC000010316341 506738034 /nfs/dbraw/zinc/73/80/34/506738034.db2.gz JYQQAPMPRXBQQU-SNVBAGLBSA-N -1 3 368.459 2.760 50 0 FFAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccccc1F ZINC000012998022 506924015 /nfs/dbraw/zinc/92/40/15/506924015.db2.gz IARHARRDLIFJEZ-UHFFFAOYSA-N -1 3 371.412 2.821 50 0 FFAAHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1 ZINC000013566096 506944741 /nfs/dbraw/zinc/94/47/41/506944741.db2.gz KYOSLWBSDBBQFJ-UHFFFAOYSA-N -1 3 358.375 2.552 50 0 FFAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)c1ccccc1 ZINC000015099267 507020027 /nfs/dbraw/zinc/02/00/27/507020027.db2.gz UAHCFZVDLLWJPA-UHFFFAOYSA-N -1 3 358.341 2.780 50 0 FFAAHM COc1ccc(-c2cc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)[nH]n2)cc1 ZINC000018162294 507142657 /nfs/dbraw/zinc/14/26/57/507142657.db2.gz SVALFIUUBBSGMC-OAHLLOKOSA-N -1 3 368.315 2.558 50 0 FFAAHM CCCCc1c(C)nc(N2CCN(c3cccc(OC)c3)CC2)[n-]c1=O ZINC000018227890 507146779 /nfs/dbraw/zinc/14/67/79/507146779.db2.gz GMFAINHCQMCJAP-UHFFFAOYSA-N -1 3 356.470 2.756 50 0 FFAAHM Cn1c([O-])c([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)c(=O)[nH]c1=S ZINC000020759469 507233228 /nfs/dbraw/zinc/23/32/28/507233228.db2.gz AHVJCZXSAJJQOX-ZDUSSCGKSA-N -1 3 362.842 2.518 50 0 biogenic FFAAHM COc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)c2c1 ZINC000020732523 507233791 /nfs/dbraw/zinc/23/37/91/507233791.db2.gz RVGCKILLJMODAY-IBGZPJMESA-N -1 3 366.421 2.519 50 0 FFAAHM CCOc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)cc1 ZINC000057520776 507283248 /nfs/dbraw/zinc/28/32/48/507283248.db2.gz BYCNWSNKXLLWBJ-UHFFFAOYSA-N -1 3 358.423 2.689 50 0 FFAAHM S=c1[n-]c(-c2cccs2)nn1CN1CCN(Cc2ccncc2)CC1 ZINC000022923936 507321478 /nfs/dbraw/zinc/32/14/78/507321478.db2.gz RTJKAXDHKJCUDK-UHFFFAOYSA-N -1 3 372.523 2.839 50 0 FFAAHM CCCCc1nnc([N-]C(=O)c2ccccc2S(=O)(=O)CC)s1 ZINC000057766104 507324008 /nfs/dbraw/zinc/32/40/08/507324008.db2.gz QXJKBFCALUILOY-UHFFFAOYSA-N -1 3 353.469 2.927 50 0 FFAAHM O=C(c1csc(-c2cccs2)n1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000023153358 507335001 /nfs/dbraw/zinc/33/50/01/507335001.db2.gz FZAXQHQKRFPXNI-NSHDSACASA-N -1 3 372.475 2.975 50 0 FFAAHM COc1ccc(C)cc1-n1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)n1 ZINC000058202504 507385113 /nfs/dbraw/zinc/38/51/13/507385113.db2.gz KUYVKLVYOOGSPU-UHFFFAOYSA-N -1 3 366.303 2.579 50 0 FFAAHM COc1ccc(C)cc1-n1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)n1 ZINC000058202504 507385115 /nfs/dbraw/zinc/38/51/15/507385115.db2.gz KUYVKLVYOOGSPU-UHFFFAOYSA-N -1 3 366.303 2.579 50 0 FFAAHM Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000058215471 507386852 /nfs/dbraw/zinc/38/68/52/507386852.db2.gz BPJFFGFARPAWCI-OAHLLOKOSA-N -1 3 368.389 2.673 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1ccc(Cn2cccn2)cc1 ZINC000024893538 507447471 /nfs/dbraw/zinc/44/74/71/507447471.db2.gz SKYHBQPLBZMCPO-UHFFFAOYSA-N -1 3 370.434 2.555 50 0 FFAAHM CCc1nnc(NC(=O)c2c[n-]nc2-c2ccc3c(c2)OCCO3)s1 ZINC000025444476 507501804 /nfs/dbraw/zinc/50/18/04/507501804.db2.gz LSQXUUHADXKDOX-UHFFFAOYSA-N -1 3 357.395 2.514 50 0 FFAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@H](C)c2ccncc2)c1 ZINC000027950589 507695749 /nfs/dbraw/zinc/69/57/49/507695749.db2.gz AYMVJCXDAIOLQQ-SNVBAGLBSA-N -1 3 354.815 2.561 50 0 FFAAHM Cc1cc(C(=O)Cn2cc(Cl)c(=O)[n-]c2=O)c(C)n1Cc1ccccc1 ZINC000072307072 507774271 /nfs/dbraw/zinc/77/42/71/507774271.db2.gz BCLVKMPWYNLNRA-UHFFFAOYSA-N -1 3 371.824 2.540 50 0 FFAAHM O=C([O-])C1(Oc2ccccc2)CCN(Cc2cccc3nonc32)CC1 ZINC000072474825 507795069 /nfs/dbraw/zinc/79/50/69/507795069.db2.gz YCYDFWDSUJVQGX-UHFFFAOYSA-N -1 3 353.378 2.721 50 0 FFAAHM CC(C)(C)c1ccc(NC(=O)CNC(=O)c2ccc3n[n-]nc3c2)cc1 ZINC000075104648 508083151 /nfs/dbraw/zinc/08/31/51/508083151.db2.gz QWODHTLQFNGIOF-UHFFFAOYSA-N -1 3 351.410 2.624 50 0 FFAAHM CCOC(=O)[C@@H]([N-]S(=O)(=O)c1cc(OC)ccc1Cl)C(C)(C)C ZINC000075108720 508083548 /nfs/dbraw/zinc/08/35/48/508083548.db2.gz RTAKBXNHYOJLFW-CYBMUJFWSA-N -1 3 363.863 2.605 50 0 FFAAHM Cc1ccc(N2CC[C@H]([N-]S(=O)(=O)c3ccccc3F)C2=O)cc1C ZINC000075524054 508113594 /nfs/dbraw/zinc/11/35/94/508113594.db2.gz MSBOGPRJTVKXEE-INIZCTEOSA-N -1 3 362.426 2.526 50 0 FFAAHM Cc1cccc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c1[O-] ZINC000082107836 508226103 /nfs/dbraw/zinc/22/61/03/508226103.db2.gz FHRJHHUIGUWQDN-UHFFFAOYSA-N -1 3 351.406 2.740 50 0 FFAAHM Cc1nccn1C[C@H]1CCCN(C(=O)c2c[n-]c3c(F)cccc3c2=O)C1 ZINC000077487895 508322679 /nfs/dbraw/zinc/32/26/79/508322679.db2.gz ZADWLNDQLPBQBX-CQSZACIVSA-N -1 3 368.412 2.725 50 0 FFAAHM Cn1c(C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)ccc1-c1ccccc1 ZINC000215757784 509250966 /nfs/dbraw/zinc/25/09/66/509250966.db2.gz HLRBSSLXQJSTAC-MRXNPFEDSA-N -1 3 362.433 2.795 50 0 FFAAHM CN1CC[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)[O-])C1 ZINC000217081526 509266867 /nfs/dbraw/zinc/26/68/67/509266867.db2.gz DPJSOXXGRRQIOX-OAQYLSRUSA-N -1 3 366.417 2.684 50 0 FFAAHM CC(C)Cn1cnc(S(=O)(=O)[N-]C[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000192270095 509436693 /nfs/dbraw/zinc/43/66/93/509436693.db2.gz LMGAPTXPIRSAQD-WMZOPIPTSA-N -1 3 363.483 2.595 50 0 FFAAHM COc1ccc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000243914958 509856514 /nfs/dbraw/zinc/85/65/14/509856514.db2.gz BLCLKBCRTVIQJE-MDOVXXIYSA-N -1 3 369.417 2.578 50 0 FFAAHM CC(C)(C)c1cc(C(=O)N[C@H](c2ccccc2)[C@H]2C[C@@H](O)C2)[n-]c(=O)n1 ZINC000253535711 509887901 /nfs/dbraw/zinc/88/79/01/509887901.db2.gz NLQFBPHBNNKNNM-JKIFEVAISA-N -1 3 355.438 2.722 50 0 FFAAHM O=C(c1[n-]c(=O)nc2ccccc21)N1CCC[C@H](OCc2ccccn2)C1 ZINC000426477868 513952013 /nfs/dbraw/zinc/95/20/13/513952013.db2.gz HBFJBBKLORZZKK-HNNXBMFYSA-N -1 3 364.405 2.552 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCCn3cccc3)c(=O)oc12 ZINC000524730086 516806725 /nfs/dbraw/zinc/80/67/25/516806725.db2.gz VKSSUOKAAYBRME-UHFFFAOYSA-N -1 3 354.406 2.666 50 0 biogenic FFAAHM COC(=O)c1ccc(-c2cccc(C(=O)NC[C@@H]3CCCO3)c2)c([O-])c1 ZINC000534656778 517987213 /nfs/dbraw/zinc/98/72/13/517987213.db2.gz BSABYBRSWSKWFY-INIZCTEOSA-N -1 3 355.390 2.755 50 0 FFAAHM COc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000019909540 523776786 /nfs/dbraw/zinc/77/67/86/523776786.db2.gz GRDXZXKOJGYRPW-LLVKDONJSA-N -1 3 360.362 2.846 50 0 FFAAHM O=S(=O)([N-]CC[C@H](O)c1ccoc1)c1ccc(Br)s1 ZINC000090613154 527218954 /nfs/dbraw/zinc/21/89/54/527218954.db2.gz NABSZGFQKZKRLY-VIFPVBQESA-N -1 3 366.258 2.506 50 0 FFAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000046074017 570924334 /nfs/dbraw/zinc/92/43/34/570924334.db2.gz UDSSWKRRJHPORZ-GFCCVEGCSA-N -1 3 372.450 2.645 50 0 FFAAHM CN1OC[C@H](S(=O)(=O)[N-]C2CCCCC2)[C@@H]1c1cccc(F)c1F ZINC000105050338 571143435 /nfs/dbraw/zinc/14/34/35/571143435.db2.gz QVZMMGOIBNMXQW-HOCLYGCPSA-N -1 3 360.426 2.504 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1cc(C(C)(C)C)n[nH]1)C2 ZINC000067805287 1019198228 /nfs/dbraw/zinc/19/82/28/1019198228.db2.gz GDKPJDRSIGFKHW-CYBMUJFWSA-N -1 3 359.474 2.611 50 0 FFAAHM COc1ccc2c(c1)CCC[C@@H]2NC(=O)c1cc(C(C)(C)C)nc(=O)[n-]1 ZINC000220291809 209701176 /nfs/dbraw/zinc/70/11/76/209701176.db2.gz HRZNNFISIIEWAQ-HNNXBMFYSA-N -1 3 355.438 2.883 50 0 FFAAHM O=S(=O)(C[C@H]1CCCO1)[N-]c1cccc(OCc2cscn2)c1 ZINC000171807514 209554738 /nfs/dbraw/zinc/55/47/38/209554738.db2.gz ASVLPMVGXDSORR-OAHLLOKOSA-N -1 3 354.453 2.643 50 0 FFAAHM COc1ccc(Cl)cc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101360991 209224766 /nfs/dbraw/zinc/22/47/66/209224766.db2.gz MXDJODZNQGUNRS-HOCLYGCPSA-N -1 3 374.755 2.780 50 0 FFAAHM CC(C)Oc1cccc(CCNC(=O)c2ccccc2-c2nnn[n-]2)c1 ZINC000097475494 209183061 /nfs/dbraw/zinc/18/30/61/209183061.db2.gz QFJFPURVOCKGPC-UHFFFAOYSA-N -1 3 351.410 2.626 50 0 FFAAHM CC(C)Oc1cccc(CCNC(=O)c2ccccc2-c2nn[n-]n2)c1 ZINC000097475494 209183063 /nfs/dbraw/zinc/18/30/63/209183063.db2.gz QFJFPURVOCKGPC-UHFFFAOYSA-N -1 3 351.410 2.626 50 0 FFAAHM CC(C)CC1=C[C@@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccccc2)N1 ZINC000004199217 207008497 /nfs/dbraw/zinc/00/84/97/207008497.db2.gz VAGALPHIFPIART-CYBMUJFWSA-N -1 3 350.362 2.734 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000004576215 207029207 /nfs/dbraw/zinc/02/92/07/207029207.db2.gz OERHCRRBSDEFGF-LLVKDONJSA-N -1 3 351.122 2.922 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cc1C ZINC000005153594 207084829 /nfs/dbraw/zinc/08/48/29/207084829.db2.gz DHPSCXQWVWHBGJ-UHFFFAOYSA-N -1 3 356.447 2.940 50 0 FFAAHM O=S(=O)([N-]CCc1nnc2ccccn21)c1cc(Cl)ccc1Cl ZINC000005452052 207100283 /nfs/dbraw/zinc/10/02/83/207100283.db2.gz OHSXWDSDOORTAM-UHFFFAOYSA-N -1 3 371.249 2.557 50 0 FFAAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)OC/C=C/c1ccccc1 ZINC000005906562 207121423 /nfs/dbraw/zinc/12/14/23/207121423.db2.gz GWLIVOLKSFHHBC-HMYPBVIVSA-N -1 3 357.431 2.833 50 0 FFAAHM CCOC(=O)[C@@H]1CCCN(Cn2[n-]c(-c3cccs3)nc2=S)C1 ZINC000005928234 207122737 /nfs/dbraw/zinc/12/27/37/207122737.db2.gz KOKZKVZRSALRAJ-LLVKDONJSA-N -1 3 352.485 2.902 50 0 FFAAHM COc1ccccc1OCC(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000006407949 207139737 /nfs/dbraw/zinc/13/97/37/207139737.db2.gz RVKZDUPQWHODRE-BDJLRTHQSA-N -1 3 372.343 2.713 50 0 FFAAHM CC[C@H](C(=O)N1NC(C)=C[C@]1([O-])C(F)(F)F)n1nc(C)c(Cl)c1C ZINC000006555275 207146766 /nfs/dbraw/zinc/14/67/66/207146766.db2.gz UKKMRRXBOJICHU-MFKMUULPSA-N -1 3 366.771 2.964 50 0 FFAAHM COc1c(C)cc([N-]S(=O)(=O)c2ccc3oc(=O)n(C)c3c2)cc1C ZINC000006662319 207152686 /nfs/dbraw/zinc/15/26/86/207152686.db2.gz QXIOXEFCRIBGGH-UHFFFAOYSA-N -1 3 362.407 2.558 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1 ZINC000006706964 207155877 /nfs/dbraw/zinc/15/58/77/207155877.db2.gz CGHDDNIJCZTFPS-UHFFFAOYSA-N -1 3 359.451 2.603 50 0 FFAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)NC(=O)NC1CCCCC1 ZINC000008232913 207225431 /nfs/dbraw/zinc/22/54/31/207225431.db2.gz BBAPHSDZXZUAGA-UHFFFAOYSA-N -1 3 365.484 2.784 50 0 FFAAHM CN(Cc1ccc(Cl)cc1Cl)C(=O)CCc1n[n-]c(=S)[nH]c1=O ZINC000011258249 207311600 /nfs/dbraw/zinc/31/16/00/207311600.db2.gz WYNADUUTIMAJEC-UHFFFAOYSA-N -1 3 373.265 2.725 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N(C)CCOc2cccc(Cl)c2)c(=O)[n-]1 ZINC000032841791 208048378 /nfs/dbraw/zinc/04/83/78/208048378.db2.gz AXNMNGKEFMHTSN-UHFFFAOYSA-N -1 3 363.845 2.510 50 0 FFAAHM O=C(NCc1cccc(C(=O)N2CCCCC2)c1)c1ccc2n[n-]nc2c1 ZINC000032675419 208035129 /nfs/dbraw/zinc/03/51/29/208035129.db2.gz DTZGLKQJSJCUBW-UHFFFAOYSA-N -1 3 363.421 2.514 50 0 FFAAHM COc1ccc(C(=O)N2CCC(NC(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000032711312 208035456 /nfs/dbraw/zinc/03/54/56/208035456.db2.gz KXPXIDRTTHJQFG-UHFFFAOYSA-N -1 3 372.396 2.575 50 0 FFAAHM Cc1ccc([O-])c(C(=O)N2CCC(C(=O)NCc3ccccc3)CC2)c1 ZINC000032744844 208039960 /nfs/dbraw/zinc/03/99/60/208039960.db2.gz WHLJRGPWLVUYOL-UHFFFAOYSA-N -1 3 352.434 2.869 50 0 FFAAHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000032776874 208041677 /nfs/dbraw/zinc/04/16/77/208041677.db2.gz YMVLEQWZTUIZKN-QGZVFWFLSA-N -1 3 365.393 2.677 50 0 FFAAHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000032776874 208041681 /nfs/dbraw/zinc/04/16/81/208041681.db2.gz YMVLEQWZTUIZKN-QGZVFWFLSA-N -1 3 365.393 2.677 50 0 FFAAHM COc1cc2c(cc1OC)CN(C(=O)c1c[n-]c3ccccc3c1=O)CC2 ZINC000032980442 208063491 /nfs/dbraw/zinc/06/34/91/208063491.db2.gz DTWFSGJELGOTIV-UHFFFAOYSA-N -1 3 364.401 2.744 50 0 biogenic FFAAHM CC(=O)Nc1ccc(-c2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000033276321 208081680 /nfs/dbraw/zinc/08/16/80/208081680.db2.gz YMASLMLBWQIPIH-UHFFFAOYSA-N -1 3 372.406 2.734 50 0 FFAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@@H](C(=O)[O-])N1CCSCC1 ZINC000036365607 208159506 /nfs/dbraw/zinc/15/95/06/208159506.db2.gz NFZUIMWHJVYFGV-INIZCTEOSA-N -1 3 361.467 2.937 50 0 FFAAHM O=C([N-]c1nc(C2CC2)cs1)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000040082270 208224163 /nfs/dbraw/zinc/22/41/63/208224163.db2.gz KUENITHAMMDQEC-UHFFFAOYSA-N -1 3 367.452 2.650 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)c3ccc4ccccc4n3)c2)NC(=O)[N-]C1=O ZINC000040110863 208229672 /nfs/dbraw/zinc/22/96/72/208229672.db2.gz CFFCOXHMWSPDBO-HXUWFJFHSA-N -1 3 360.373 2.542 50 0 FFAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000044890795 208319064 /nfs/dbraw/zinc/31/90/64/208319064.db2.gz IVHQCTOODQPHNH-UHFFFAOYSA-N -1 3 359.856 2.709 50 0 FFAAHM Cc1nc(C(C)C)sc1C(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC000046747806 208368607 /nfs/dbraw/zinc/36/86/07/208368607.db2.gz JWSUVTPJLFPXMY-UHFFFAOYSA-N -1 3 373.478 2.879 50 0 FFAAHM COc1cc2n[n-]nc2cc1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 ZINC000096012428 209096803 /nfs/dbraw/zinc/09/68/03/209096803.db2.gz FOBILTUOKXYDLF-LLVKDONJSA-N -1 3 357.439 2.751 50 0 FFAAHM COc1ccccc1OC1CCN([C@H](C(=O)[O-])c2ccc(CO)cc2)CC1 ZINC000095355019 209025297 /nfs/dbraw/zinc/02/52/97/209025297.db2.gz SZBQNKNTIQPDOP-FQEVSTJZSA-N -1 3 371.433 2.857 50 0 FFAAHM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCCN(Cc2ccccn2)CC1 ZINC000095369950 209032598 /nfs/dbraw/zinc/03/25/98/209032598.db2.gz BEWCPNRIYCSCRA-FQEVSTJZSA-N -1 3 369.465 2.732 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccccc2-n2cccn2)cn1 ZINC000095370347 209032794 /nfs/dbraw/zinc/03/27/94/209032794.db2.gz ILADZASZKVKWSR-SFHVURJKSA-N -1 3 352.394 2.534 50 0 FFAAHM COCCCN1CC2(CC1=O)CCN(Cc1ccc([O-])cc1Cl)CC2 ZINC000095381073 209041386 /nfs/dbraw/zinc/04/13/86/209041386.db2.gz PFZMPHCHJCFACG-UHFFFAOYSA-N -1 3 366.889 2.897 50 0 FFAAHM Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000095459367 209054198 /nfs/dbraw/zinc/05/41/98/209054198.db2.gz NSXSWULNFGISDN-MRXNPFEDSA-N -1 3 363.845 2.539 50 0 FFAAHM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000000627354 506224880 /nfs/dbraw/zinc/22/48/80/506224880.db2.gz YDOKASDKSLJRDH-NSHDSACASA-N -1 3 358.781 2.743 50 0 FFAAHM O=S(=O)([N-]C[C@H]1CCCO1)c1cc(Cl)ccc1Br ZINC000000758101 506232072 /nfs/dbraw/zinc/23/20/72/506232072.db2.gz AOHGQCPMEHMVAK-SECBINFHSA-N -1 3 354.653 2.560 50 0 FFAAHM Cc1nnc(-c2ccc(S(=O)(=O)[N-]Cc3ccc(F)cc3)s2)o1 ZINC000064920047 506242065 /nfs/dbraw/zinc/24/20/65/506242065.db2.gz DUHVLVJSDKJVIN-UHFFFAOYSA-N -1 3 353.400 2.724 50 0 FFAAHM CN1C(=O)S/C(=C\c2ccc([O-])c(I)c2)C1=O ZINC000001186588 506254118 /nfs/dbraw/zinc/25/41/18/506254118.db2.gz HBWZIZFCTFTXOA-UITAMQMPSA-N -1 3 361.160 2.663 50 0 FFAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccccc2)C3)cc1 ZINC000065260309 506277449 /nfs/dbraw/zinc/27/74/49/506277449.db2.gz LHPOBKXUOWSEJX-UHFFFAOYSA-N -1 3 361.401 2.644 50 0 FFAAHM COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1Cc1nnn[n-]1 ZINC000065419077 506297207 /nfs/dbraw/zinc/29/72/07/506297207.db2.gz QBMHHHXGYWDGGV-UHFFFAOYSA-N -1 3 350.357 2.926 50 0 FFAAHM COc1cc(F)ccc1-c1c(-c2ccccc2)ncn1Cc1nn[n-]n1 ZINC000065419077 506297214 /nfs/dbraw/zinc/29/72/14/506297214.db2.gz QBMHHHXGYWDGGV-UHFFFAOYSA-N -1 3 350.357 2.926 50 0 FFAAHM Cc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@]([O-])(C(F)(F)F)C2)cc1 ZINC000004478248 506376735 /nfs/dbraw/zinc/37/67/35/506376735.db2.gz GQKRUHJACASAEJ-OAHLLOKOSA-N -1 3 351.332 2.541 50 0 FFAAHM O=S(=O)([N-]Cc1noc(-c2ccc(Cl)cc2F)n1)c1ccco1 ZINC000373305693 512266262 /nfs/dbraw/zinc/26/62/62/512266262.db2.gz PTQZBHXVBWASHU-UHFFFAOYSA-N -1 3 357.750 2.601 50 0 FFAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)Nc1ccc2c(c1)OCO2 ZINC000005017856 506416358 /nfs/dbraw/zinc/41/63/58/506416358.db2.gz QPQXSFFVXWJJOP-UHFFFAOYSA-N -1 3 360.420 2.993 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@H](C)N2CCc3sccc3C2)c1 ZINC000055223285 506703302 /nfs/dbraw/zinc/70/33/02/506703302.db2.gz UMOUMIKIELDOJC-LBPRGKRZSA-N -1 3 373.478 2.589 50 0 FFAAHM O=S(=O)([N-]C[C@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1Cl ZINC000010220572 506732999 /nfs/dbraw/zinc/73/29/99/506732999.db2.gz VEPWAAKZPKRESB-NSHDSACASA-N -1 3 366.266 2.957 50 0 FFAAHM Cc1ccc(C(=O)NCc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)cc1C ZINC000013690856 506950906 /nfs/dbraw/zinc/95/09/06/506950906.db2.gz NSRGAPIBJLBSME-UHFFFAOYSA-N -1 3 373.416 2.656 50 0 FFAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(-c2ccccc2)on1 ZINC000061413787 507612318 /nfs/dbraw/zinc/61/23/18/507612318.db2.gz OMQBWKVOCGTXBW-UHFFFAOYSA-N -1 3 357.391 2.812 50 0 FFAAHM Cc1cnn(C2(C(=O)[O-])CCN(Cc3ccc4ccccc4n3)CC2)c1 ZINC000072476159 507796114 /nfs/dbraw/zinc/79/61/14/507796114.db2.gz ZWWGONCETXEUQC-UHFFFAOYSA-N -1 3 350.422 2.816 50 0 FFAAHM Cc1ccc(-c2cc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)[nH]n2)s1 ZINC000091391275 507983092 /nfs/dbraw/zinc/98/30/92/507983092.db2.gz QNIBNBCLXWASPA-UHFFFAOYSA-N -1 3 365.422 2.557 50 0 FFAAHM Cc1ccc(-c2cc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)[nH]n2)s1 ZINC000091391275 507983093 /nfs/dbraw/zinc/98/30/93/507983093.db2.gz QNIBNBCLXWASPA-UHFFFAOYSA-N -1 3 365.422 2.557 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)CC2 ZINC000215417688 509247568 /nfs/dbraw/zinc/24/75/68/509247568.db2.gz KDGMCSMCBUUAPZ-FQEVSTJZSA-N -1 3 365.477 2.980 50 0 FFAAHM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2c(C)noc2C)s1)C1CC(O)C1 ZINC000222911395 509325399 /nfs/dbraw/zinc/32/53/99/509325399.db2.gz ITNZHRYCQFBIMT-WXRRBKDZSA-N -1 3 370.496 2.848 50 0 FFAAHM COC(=O)C[C@](C)(NC(=O)c1cccc(OC)c1[O-])c1cccc(OC)c1 ZINC000170602487 509677518 /nfs/dbraw/zinc/67/75/18/509677518.db2.gz DZPUDXYAYAPMBU-FQEVSTJZSA-N -1 3 373.405 2.618 50 0 FFAAHM O=C([O-])c1cnn2cc(CN3CCC4(C=Cc5ccccc54)CC3)cnc12 ZINC000244873405 509874192 /nfs/dbraw/zinc/87/41/92/509874192.db2.gz WPWUKKJXFMDZIO-UHFFFAOYSA-N -1 3 360.417 2.988 50 0 FFAAHM CC(C)Cc1cc(C(=O)N[C@@H](c2cccs2)[C@H]2C[C@@H](O)C2)[n-]c(=O)n1 ZINC000253535070 509885463 /nfs/dbraw/zinc/88/54/63/509885463.db2.gz BOVQYEIKQXQEGE-PVXIVEMSSA-N -1 3 361.467 2.684 50 0 FFAAHM Cc1noc(C)c1CN(C)C(=O)c1cccc(-c2c(C)[nH]c(=O)[n-]c2=O)c1 ZINC000426465394 513948446 /nfs/dbraw/zinc/94/84/46/513948446.db2.gz AVRLIGCCFJOLMM-UHFFFAOYSA-N -1 3 368.393 2.740 50 0 FFAAHM Cc1nc([C@H](C)N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000534655106 517984769 /nfs/dbraw/zinc/98/47/69/517984769.db2.gz DCHNOVMAJWNWKR-JTQLQIEISA-N -1 3 371.470 2.843 50 0 FFAAHM Cc1nc([C@H](C)N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000534655106 517984782 /nfs/dbraw/zinc/98/47/82/517984782.db2.gz DCHNOVMAJWNWKR-JTQLQIEISA-N -1 3 371.470 2.843 50 0 FFAAHM CC(C)Oc1ccc(C2(C(=O)NCCc3cc(=O)[n-]cn3)CCCC2)cc1 ZINC000082039476 519778873 /nfs/dbraw/zinc/77/88/73/519778873.db2.gz ACXYSWBCVQDFPZ-UHFFFAOYSA-N -1 3 369.465 2.728 50 0 FFAAHM C[C@](O)(C[N-]S(=O)(=O)c1ccc(Cl)s1)Cc1ccsc1 ZINC000618255514 520966882 /nfs/dbraw/zinc/96/68/82/520966882.db2.gz SACINIFYFDEBGS-GFCCVEGCSA-N -1 3 351.902 2.735 50 0 FFAAHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000606369597 521042091 /nfs/dbraw/zinc/04/20/91/521042091.db2.gz NFTJDGXKLNUOMW-GXTWGEPZSA-N -1 3 358.467 2.581 50 0 FFAAHM COc1ccsc1S(=O)(=O)[N-]CCc1nc2c(s1)CCCC2 ZINC000083984409 524881936 /nfs/dbraw/zinc/88/19/36/524881936.db2.gz POQPFQVYNWTDFQ-UHFFFAOYSA-N -1 3 358.510 2.613 50 0 FFAAHM Cc1nc(C2CCN(c3ccc(Cn4ccnc4)cn3)CC2)cc(=O)[n-]1 ZINC000082120530 527006610 /nfs/dbraw/zinc/00/66/10/527006610.db2.gz AYNMMWJMQCCQNQ-UHFFFAOYSA-N -1 3 350.426 2.514 50 0 FFAAHM O=C([O-])/C=C/C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000000627254 527545079 /nfs/dbraw/zinc/54/50/79/527545079.db2.gz GWGDCMQFAGNXPD-ZHACJKMWSA-N -1 3 365.433 2.588 50 0 FFAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000046074011 570924347 /nfs/dbraw/zinc/92/43/47/570924347.db2.gz DHPYOAJMEQKCEN-LLVKDONJSA-N -1 3 372.450 2.645 50 0 FFAAHM O=C(CCc1nc(-c2cccs2)no1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000048310458 570943677 /nfs/dbraw/zinc/94/36/77/570943677.db2.gz VXEFKWDMTXNTBL-UHFFFAOYSA-N -1 3 367.394 2.550 50 0 FFAAHM O=C(CCc1nc(-c2cccs2)no1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000048310458 570943682 /nfs/dbraw/zinc/94/36/82/570943682.db2.gz VXEFKWDMTXNTBL-UHFFFAOYSA-N -1 3 367.394 2.550 50 0 FFAAHM O=C(CCc1nc(-c2cccs2)no1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000048310458 570943685 /nfs/dbraw/zinc/94/36/85/570943685.db2.gz VXEFKWDMTXNTBL-UHFFFAOYSA-N -1 3 367.394 2.550 50 0 FFAAHM CS(=O)(=O)c1ccsc1[N-]C(=O)c1ncccc1C(F)(F)F ZINC000092396507 571198437 /nfs/dbraw/zinc/19/84/37/571198437.db2.gz FLJWOMAHLFGEFI-UHFFFAOYSA-N -1 3 350.343 2.818 50 0 FFAAHM O=C1C[C@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CN1C1CCCC1 ZINC000670453459 571353150 /nfs/dbraw/zinc/35/31/50/571353150.db2.gz OWERGWGOXYXXOW-LLVKDONJSA-N -1 3 374.865 2.549 50 0 FFAAHM O=C(c1nnc2ccccc2c1[O-])N1CCC(OCc2ccccc2)CC1 ZINC000171763509 985401704 /nfs/dbraw/zinc/40/17/04/985401704.db2.gz RWTIYEMBSHXBKV-UHFFFAOYSA-N -1 3 363.417 2.745 50 0 FFAAHM O=S(=O)([N-]Cc1ccoc1)c1ccc(-c2cc(C(F)(F)F)[nH]n2)o1 ZINC001506422020 1059511031 /nfs/dbraw/zinc/51/10/31/1059511031.db2.gz ZKJVXWZTWRRFMA-UHFFFAOYSA-N -1 3 361.301 2.760 50 0 FFAAHM Cc1nccn1CC[C@@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC001506422885 1059512322 /nfs/dbraw/zinc/51/23/22/1059512322.db2.gz SOKXNKPRYZYAAR-HNNXBMFYSA-N -1 3 365.437 2.513 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@H]3C)cc1 ZINC000102675848 209239310 /nfs/dbraw/zinc/23/93/10/209239310.db2.gz OIXJNOWBZRLPPK-LBPRGKRZSA-N -1 3 372.446 2.892 50 0 FFAAHM O=C1[C@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1F ZINC000101505464 209227940 /nfs/dbraw/zinc/22/79/40/209227940.db2.gz KTDBRMZNRBYTDU-DZGCQCFKSA-N -1 3 362.719 2.911 50 0 FFAAHM CC[C@H]1CN(Cc2c(OC)cc(OC)cc2C(=O)[O-])CCN1C(C)C ZINC000097823656 209199281 /nfs/dbraw/zinc/19/92/81/209199281.db2.gz ZMXLSLALPXNVAB-AWEZNQCLSA-N -1 3 350.459 2.707 50 0 FFAAHM COC[C@@H]1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C1 ZINC000097594885 209187182 /nfs/dbraw/zinc/18/71/82/209187182.db2.gz FPJHEQADUFNGAR-OAHLLOKOSA-N -1 3 356.422 2.680 50 0 FFAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@H]1c1cccnc1 ZINC000097514260 209184830 /nfs/dbraw/zinc/18/48/30/209184830.db2.gz BNCXFRAMFHHMSV-KRWDZBQOSA-N -1 3 364.405 2.505 50 0 FFAAHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@H]1CCCc2ccccc21 ZINC000096797756 209157698 /nfs/dbraw/zinc/15/76/98/209157698.db2.gz OTJUXRVDKHZAGZ-INIZCTEOSA-N -1 3 362.433 2.946 50 0 FFAAHM CSCCc1nc(-c2cnc(C)[n-]c2=O)n(-c2ccccc2Cl)n1 ZINC000096139052 209121273 /nfs/dbraw/zinc/12/12/73/209121273.db2.gz WMBSXXVUFQEYSI-UHFFFAOYSA-N -1 3 361.858 2.885 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1C ZINC000004270352 207009602 /nfs/dbraw/zinc/00/96/02/207009602.db2.gz ZSNQSZDHAWLFOM-UHFFFAOYSA-N -1 3 356.447 2.940 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)N1 ZINC000006394296 207139010 /nfs/dbraw/zinc/13/90/10/207139010.db2.gz VCTPHYFMWLLDFM-BDJLRTHQSA-N -1 3 356.344 2.802 50 0 FFAAHM CCCn1c(=O)[nH]nc1SCc1cc(=O)oc2cc([O-])c(CC)cc12 ZINC000007532232 207197498 /nfs/dbraw/zinc/19/74/98/207197498.db2.gz JIHXXBCTLDBGLQ-UHFFFAOYSA-N -1 3 361.423 2.648 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2c(c1)OCCO2 ZINC000008225302 207225012 /nfs/dbraw/zinc/22/50/12/207225012.db2.gz XOKCKKKRWCQAKU-VIFPVBQESA-N -1 3 373.352 2.915 50 0 FFAAHM Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)c([O-])c1 ZINC000009365578 207268947 /nfs/dbraw/zinc/26/89/47/207268947.db2.gz LMNSQSACBDIGKJ-ZUOKHONESA-N -1 3 373.453 2.776 50 0 FFAAHM COc1cc(Cl)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1OC ZINC000010592582 207302794 /nfs/dbraw/zinc/30/27/94/207302794.db2.gz WZJUTEXSUCVYAC-UHFFFAOYSA-N -1 3 365.817 2.629 50 0 FFAAHM O=C(NCCSCc1ccccc1F)c1ccc(-c2nnn[n-]2)cc1 ZINC000012756871 207414741 /nfs/dbraw/zinc/41/47/41/207414741.db2.gz WLEYDHGTLTYXAG-UHFFFAOYSA-N -1 3 357.414 2.669 50 0 FFAAHM O=C(NCCSCc1ccccc1F)c1ccc(-c2nn[n-]n2)cc1 ZINC000012756871 207414747 /nfs/dbraw/zinc/41/47/47/207414747.db2.gz WLEYDHGTLTYXAG-UHFFFAOYSA-N -1 3 357.414 2.669 50 0 FFAAHM CCC1(CC)Cc2ccccc2-c2nc(CN3CCOCC3)[n-]c(=O)c21 ZINC000020029322 207722478 /nfs/dbraw/zinc/72/24/78/207722478.db2.gz OXSQVQNOSFXDLB-UHFFFAOYSA-N -1 3 353.466 2.883 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCc2c1cnn2C(C)(C)C ZINC000071195608 208180337 /nfs/dbraw/zinc/18/03/37/208180337.db2.gz XMMQBPSTCSFUOP-ZDUSSCGKSA-N -1 3 352.460 2.599 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2)NC(=O)[N-]C1=O ZINC000040111243 208230024 /nfs/dbraw/zinc/23/00/24/208230024.db2.gz YVBFDYAPTFRXDS-LJQANCHMSA-N -1 3 369.446 2.934 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)S(=O)(=O)Cc2c(F)cccc2Cl)on1 ZINC000040127599 208231935 /nfs/dbraw/zinc/23/19/35/208231935.db2.gz YVUGPYHKFSSDIT-VIFPVBQESA-N -1 3 360.794 2.718 50 0 FFAAHM O=c1[n-]c(CN2CCc3sccc3C2)nc2c1cnn2-c1ccccc1 ZINC000048275394 208395621 /nfs/dbraw/zinc/39/56/21/208395621.db2.gz ZESKEDJCZRUGPU-UHFFFAOYSA-N -1 3 363.446 2.729 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1 ZINC000048341023 208399943 /nfs/dbraw/zinc/39/99/43/208399943.db2.gz YAVLSYZHNPIWCM-UHFFFAOYSA-N -1 3 353.371 2.568 50 0 FFAAHM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(C/C(C)=C/c1ccccc1)CC2 ZINC000091914922 209004352 /nfs/dbraw/zinc/00/43/52/209004352.db2.gz KAIWBUYJSDTJPY-BAILOTOSSA-N -1 3 356.466 2.878 50 0 FFAAHM COc1ccc(CCCC(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000092037388 209013006 /nfs/dbraw/zinc/01/30/06/209013006.db2.gz FPRGNVDEXIUGAH-KRWDZBQOSA-N -1 3 369.465 2.816 50 0 FFAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000095350899 209022487 /nfs/dbraw/zinc/02/24/87/209022487.db2.gz GNPDKMZMOMQUFK-INIZCTEOSA-N -1 3 358.385 2.685 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3cccnc3)CC2)c(C)c1 ZINC000095353831 209025190 /nfs/dbraw/zinc/02/51/90/209025190.db2.gz CLFHMDFVTSRWCD-HXUWFJFHSA-N -1 3 369.465 2.732 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)cc1OC ZINC000095357728 209026538 /nfs/dbraw/zinc/02/65/38/209026538.db2.gz IWGAVJOHECTMPJ-LJQANCHMSA-N -1 3 371.433 2.813 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)c(OC)c1 ZINC000095366076 209031149 /nfs/dbraw/zinc/03/11/49/209031149.db2.gz VCCMKJLZDLRAJA-IBGZPJMESA-N -1 3 371.433 2.813 50 0 FFAAHM COc1ccc(OC)c([C@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)c1 ZINC000095367286 209031162 /nfs/dbraw/zinc/03/11/62/209031162.db2.gz UONXXFVTSAHCAU-LJQANCHMSA-N -1 3 371.433 2.813 50 0 FFAAHM CC(C)NC(=O)CN(C)Cc1nc(=O)c2c(-c3ccccc3)csc2[n-]1 ZINC000057286235 221086263 /nfs/dbraw/zinc/08/62/63/221086263.db2.gz UVRBNBKANVJEMD-UHFFFAOYSA-N -1 3 370.478 2.608 50 0 FFAAHM Cc1nc[nH]c1-c1nccn1-c1ccc(N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000077505407 132188291 /nfs/dbraw/zinc/18/82/91/132188291.db2.gz KTIYBTNTTODQNI-CQSZACIVSA-N -1 3 351.410 2.872 50 0 FFAAHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)N1CCSc2ccccc21 ZINC000294276505 132305745 /nfs/dbraw/zinc/30/57/45/132305745.db2.gz SQTHSLBUFZWVEO-LZWOXQAQSA-N -1 3 360.479 2.843 50 0 FFAAHM CCN1C(=O)N[C@@H](c2cc(Cl)c([O-])c(OC)c2)C(C(=O)OC)=C1C ZINC000000795930 506231785 /nfs/dbraw/zinc/23/17/85/506231785.db2.gz VCRRUCFDNVNOMU-ZDUSSCGKSA-N -1 3 354.790 2.587 50 0 FFAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)sc(=O)n3C)cc1 ZINC000064947083 506241722 /nfs/dbraw/zinc/24/17/22/506241722.db2.gz ZFXMFAILIOYBGG-UHFFFAOYSA-N -1 3 364.448 2.800 50 0 FFAAHM COC(=O)c1c(C)oc(C)c1S(=O)(=O)[N-]Cc1ccc(Cl)cc1 ZINC000001029733 506244135 /nfs/dbraw/zinc/24/41/35/506244135.db2.gz HYDRAQOFFMMDNS-UHFFFAOYSA-N -1 3 357.815 2.815 50 0 FFAAHM CC(=O)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000001232164 506256649 /nfs/dbraw/zinc/25/66/49/506256649.db2.gz XUJWZSDVLHECBV-SECBINFHSA-N -1 3 356.662 2.511 50 0 FFAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000004893695 506402587 /nfs/dbraw/zinc/40/25/87/506402587.db2.gz GVLDICCAKAUCIX-NSHDSACASA-N -1 3 360.115 2.788 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cc3sc(=O)oc3cc2C)cc1 ZINC000004914156 506405750 /nfs/dbraw/zinc/40/57/50/506405750.db2.gz WJBSWRSVRMMLKC-UHFFFAOYSA-N -1 3 351.405 2.972 50 0 FFAAHM O=C(Nc1ccccc1[O-])c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000006680464 506497901 /nfs/dbraw/zinc/49/79/01/506497901.db2.gz KXFLGFJAJAIEEO-UHFFFAOYSA-N -1 3 366.464 2.881 50 0 FFAAHM COC(=O)N(C)c1ccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000067182354 506786777 /nfs/dbraw/zinc/78/67/77/506786777.db2.gz CCNAPVWCLLPLBT-LFIBNONCSA-N -1 3 351.362 2.612 50 0 FFAAHM O=c1[n-]c(CC2CC2)nc2c1CCN(Cc1cc3ccccc3[nH]c1=O)C2 ZINC000067847674 507025734 /nfs/dbraw/zinc/02/57/34/507025734.db2.gz VIAIJTUFNOYNLO-UHFFFAOYSA-N -1 3 362.433 2.535 50 0 FFAAHM CC(=O)N1CCc2cc(C(=O)[C@H](C)OC(=O)c3ccc([O-])cc3)ccc21 ZINC000016743012 507105862 /nfs/dbraw/zinc/10/58/62/507105862.db2.gz AWQMMJPIEWWYBA-LBPRGKRZSA-N -1 3 353.374 2.729 50 0 FFAAHM O=C1[C@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1F ZINC000018177560 507142259 /nfs/dbraw/zinc/14/22/59/507142259.db2.gz KTDBRMZNRBYTDU-ZFWWWQNUSA-N -1 3 362.719 2.911 50 0 FFAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)c2c1 ZINC000020745021 507233811 /nfs/dbraw/zinc/23/38/11/507233811.db2.gz DVWWCWSPHCDHLS-IBGZPJMESA-N -1 3 350.422 2.819 50 0 FFAAHM CCOc1ccccc1NC(=O)CSc1nc2cc(C)[nH]c2c(=O)[n-]1 ZINC000057520920 507282317 /nfs/dbraw/zinc/28/23/17/507282317.db2.gz DGRRBQIQYRZUOT-UHFFFAOYSA-N -1 3 358.423 2.689 50 0 FFAAHM Cc1nc2sc([C@@H](c3cccc(C)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627624 507301802 /nfs/dbraw/zinc/30/18/02/507301802.db2.gz JBGRVSMEQBFUOU-OAHLLOKOSA-N -1 3 358.467 2.659 50 0 FFAAHM COc1ccc(C(=O)N2CCN(C(=O)CCC3CCCC3)CC2)c([O-])c1 ZINC000023102697 507328573 /nfs/dbraw/zinc/32/85/73/507328573.db2.gz AWBGWALRCRZMQF-UHFFFAOYSA-N -1 3 360.454 2.656 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)on1 ZINC000058341561 507406115 /nfs/dbraw/zinc/40/61/15/507406115.db2.gz WYEWSLQRSWWXRA-WDEREUQCSA-N -1 3 359.361 2.850 50 0 FFAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccncc2)c1 ZINC000027950585 507695736 /nfs/dbraw/zinc/69/57/36/507695736.db2.gz AYMVJCXDAIOLQQ-JTQLQIEISA-N -1 3 354.815 2.561 50 0 FFAAHM COc1cc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc(OC)c1OC ZINC000071281769 507700312 /nfs/dbraw/zinc/70/03/12/507700312.db2.gz LXTGSVWYBXPGGR-NSHDSACASA-N -1 3 361.398 2.907 50 0 FFAAHM O=C([O-])[C@H]1C[C@@H](C(=O)Nc2ccc(F)cc2)CN(Cc2cccc(O)c2)C1 ZINC000071439931 507704082 /nfs/dbraw/zinc/70/40/82/507704082.db2.gz CGTAKJKMWADTNC-CABCVRRESA-N -1 3 372.396 2.693 50 0 FFAAHM CCc1[nH]c2c(cc(C)cc2CNC(=O)Cc2c(C)nc(C)[n-]c2=O)c1C ZINC000071779960 507715559 /nfs/dbraw/zinc/71/55/59/507715559.db2.gz BGKFAUVMWSQYQK-UHFFFAOYSA-N -1 3 366.465 2.906 50 0 FFAAHM Cc1ccc(CN2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1F ZINC000072411565 507785422 /nfs/dbraw/zinc/78/54/22/507785422.db2.gz UFHTWRRHBPWGSD-GOSISDBHSA-N -1 3 374.456 2.812 50 0 FFAAHM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)c3cnc(C4CC4)[n-]c3=O)nc2c1 ZINC000072429745 507789977 /nfs/dbraw/zinc/78/99/77/507789977.db2.gz DRENQEYBDOHXAI-INIZCTEOSA-N -1 3 363.421 2.809 50 0 FFAAHM Cc1ccc2nc([C@@H]3CCCN3C(=O)c3cnc(C4CC4)[n-]c3=O)[nH]c2c1 ZINC000072429745 507789979 /nfs/dbraw/zinc/78/99/79/507789979.db2.gz DRENQEYBDOHXAI-INIZCTEOSA-N -1 3 363.421 2.809 50 0 FFAAHM COCCn1ccc2c1cccc2C(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000079491600 507967348 /nfs/dbraw/zinc/96/73/48/507967348.db2.gz LHZDNRVHAQFMOG-UHFFFAOYSA-N -1 3 353.304 2.677 50 0 FFAAHM COCCn1ccc2c1cccc2C(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000079491600 507967351 /nfs/dbraw/zinc/96/73/51/507967351.db2.gz LHZDNRVHAQFMOG-UHFFFAOYSA-N -1 3 353.304 2.677 50 0 FFAAHM CCCc1ncc(CN2C[C@@H](c3ccccc3OC)[C@H](C(=O)[O-])C2)cn1 ZINC000091726251 508005543 /nfs/dbraw/zinc/00/55/43/508005543.db2.gz YEGDUNGAWIWTJU-DLBZAZTESA-N -1 3 355.438 2.738 50 0 FFAAHM COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccncc2)C3)c([O-])c1 ZINC000091738392 508006327 /nfs/dbraw/zinc/00/63/27/508006327.db2.gz YZMAPPLGQZOULM-DLBZAZTESA-N -1 3 367.449 2.532 50 0 FFAAHM Cc1ccc(N2CC[C@@H]([N-]S(=O)(=O)c3ccccc3F)C2=O)cc1C ZINC000075524055 508113610 /nfs/dbraw/zinc/11/36/10/508113610.db2.gz MSBOGPRJTVKXEE-MRXNPFEDSA-N -1 3 362.426 2.526 50 0 FFAAHM O=C(CC[C@H]1NC(=O)c2ccccc2NC1=O)Nc1cc(Cl)ccc1[O-] ZINC000096114847 508206964 /nfs/dbraw/zinc/20/69/64/508206964.db2.gz YDPXTKJERKIYRV-CYBMUJFWSA-N -1 3 373.796 2.515 50 0 biogenic FFAAHM O=C([O-])COc1ccccc1CN1CCC(OCc2cccnc2)CC1 ZINC000215149749 509244391 /nfs/dbraw/zinc/24/43/91/509244391.db2.gz UTAXNRADCOZCKH-UHFFFAOYSA-N -1 3 356.422 2.726 50 0 FFAAHM CC(C)(C)c1cc(C(=O)NCCc2nc3ccccc3s2)[n-]c(=O)n1 ZINC000222417631 509316389 /nfs/dbraw/zinc/31/63/89/509316389.db2.gz GHGPHRKUYRGPIF-UHFFFAOYSA-N -1 3 356.451 2.650 50 0 FFAAHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1ccc(N2CCCC2)cc1 ZINC000222532611 509319092 /nfs/dbraw/zinc/31/90/92/509319092.db2.gz PHDFYKLMIVJMJS-UHFFFAOYSA-N -1 3 362.437 2.739 50 0 FFAAHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1ccc(N2CCCC2)cc1 ZINC000222532611 509319103 /nfs/dbraw/zinc/31/91/03/509319103.db2.gz PHDFYKLMIVJMJS-UHFFFAOYSA-N -1 3 362.437 2.739 50 0 FFAAHM CC(C)[C@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)Cc1ccccc1 ZINC000170605312 509677996 /nfs/dbraw/zinc/67/79/96/509677996.db2.gz RIPLKCOHNTWJKQ-SFHVURJKSA-N -1 3 354.450 2.753 50 0 FFAAHM CC(=NNc1cn[nH]c(=O)c1Cl)c1cc(Br)ccc1[O-] ZINC000254559586 509907564 /nfs/dbraw/zinc/90/75/64/509907564.db2.gz YIQBLCOZSSYUOR-UHFFFAOYSA-N -1 3 357.595 2.728 50 0 FFAAHM CC[C@](C)([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1nc(C)cs1 ZINC000175028350 510447255 /nfs/dbraw/zinc/44/72/55/510447255.db2.gz OHCIAKUYLOXENH-HNNXBMFYSA-N -1 3 356.517 2.908 50 0 FFAAHM O=C(Cc1ccc([O-])c(Cl)c1)NC1CCN(Cc2cccnc2)CC1 ZINC000299763629 511671945 /nfs/dbraw/zinc/67/19/45/511671945.db2.gz POZBDNJUQYYEPB-UHFFFAOYSA-N -1 3 359.857 2.764 50 0 FFAAHM CN(C)CCN(CCO)C(=O)c1ccc(-c2ccc([O-])c(Cl)c2)cc1 ZINC000426521227 513968162 /nfs/dbraw/zinc/96/81/62/513968162.db2.gz LPGLTNMJAPRGGL-UHFFFAOYSA-N -1 3 362.857 2.709 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](c1cc2ccccc2o1)N(C)C ZINC000575621442 518239401 /nfs/dbraw/zinc/23/94/01/518239401.db2.gz OHRAQGCUFGFMIT-AWEZNQCLSA-N -1 3 363.439 2.619 50 0 FFAAHM CSc1ccc(CC(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000082127694 525982873 /nfs/dbraw/zinc/98/28/73/525982873.db2.gz MMALIXBRTIEWFM-OAHLLOKOSA-N -1 3 357.479 2.749 50 0 FFAAHM CSc1ccc(CC(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000082127695 525983620 /nfs/dbraw/zinc/98/36/20/525983620.db2.gz MMALIXBRTIEWFM-HNNXBMFYSA-N -1 3 357.479 2.749 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(CCc2ccccn2)CC1 ZINC000020713970 527657413 /nfs/dbraw/zinc/65/74/13/527657413.db2.gz YXFLCOZFVUKTKU-HXUWFJFHSA-N -1 3 364.449 2.549 50 0 FFAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1C ZINC000048356299 570950206 /nfs/dbraw/zinc/95/02/06/570950206.db2.gz LQOPRXYUPHMABV-UHFFFAOYSA-N -1 3 368.842 2.865 50 0 FFAAHM CCc1csc(C[N-]S(=O)(=O)c2ccc(-c3ccno3)s2)n1 ZINC000823543021 999054080 /nfs/dbraw/zinc/05/40/80/999054080.db2.gz QBKRULRHSFQCJY-UHFFFAOYSA-N -1 3 355.466 2.901 50 0 FFAAHM Cc1nc(C)c(CC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C3CC3)C2)c(=O)[n-]1 ZINC001529158760 1062194400 /nfs/dbraw/zinc/19/44/00/1062194400.db2.gz KXBIMGKVDZOWLV-RBUKOAKNSA-N -1 3 367.449 2.720 50 0 FFAAHM Cc1nc(C)c(CC(=O)N2C[C@@H](c3ccccc3)O[C@@H](C(C)C)C2)c(=O)[n-]1 ZINC001529187136 1062209969 /nfs/dbraw/zinc/20/99/69/1062209969.db2.gz OPGARMWYZBOQSN-MOPGFXCFSA-N -1 3 369.465 2.966 50 0 FFAAHM Cc1ccccc1N1CCCN([C@@H](C(=O)[O-])c2ccc(F)c(CO)c2)CC1 ZINC000108201846 209285203 /nfs/dbraw/zinc/28/52/03/209285203.db2.gz SKKKJFCTLOIBAK-HXUWFJFHSA-N -1 3 372.440 2.964 50 0 FFAAHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236917463 209260821 /nfs/dbraw/zinc/26/08/21/209260821.db2.gz YNKHDOXMYKFXEK-HOCLYGCPSA-N -1 3 350.434 2.749 50 0 FFAAHM COC[C@@H](c1ccccn1)N(C)C(=O)c1c[n-]c2ccc(F)cc2c1=O ZINC000097642111 209190322 /nfs/dbraw/zinc/19/03/22/209190322.db2.gz BZMQEHBDCWWOEA-KRWDZBQOSA-N -1 3 355.369 2.522 50 0 FFAAHM CCOC(=O)c1csc(NC(=O)c2[n-]nc3c2COc2ccccc2-3)n1 ZINC000096222943 209137951 /nfs/dbraw/zinc/13/79/51/209137951.db2.gz WYZNZTQCMSIJAR-UHFFFAOYSA-N -1 3 370.390 2.855 50 0 FFAAHM Cc1ccccc1OCC(=O)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000016112076 220178997 /nfs/dbraw/zinc/17/89/97/220178997.db2.gz TVFLCQQFILAGJZ-UHFFFAOYSA-N -1 3 368.433 2.957 50 0 FFAAHM CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1ccncc1 ZINC000004511419 207023404 /nfs/dbraw/zinc/02/34/04/207023404.db2.gz XXZQRZDSHYUWLH-UHFFFAOYSA-N -1 3 355.423 2.796 50 0 FFAAHM CCOc1ccc(-n2nnc(C(=O)[N-]c3nnc(CC)s3)c2C)cc1 ZINC000004511647 207024228 /nfs/dbraw/zinc/02/42/28/207024228.db2.gz JUUUSSCRFUTLFK-UHFFFAOYSA-N -1 3 358.427 2.641 50 0 FFAAHM COc1c(Cl)c(Cl)ccc1S(=O)(=O)[N-]CCCn1ccnc1 ZINC000004908560 207061603 /nfs/dbraw/zinc/06/16/03/207061603.db2.gz SGOMVJCEAZLRNB-UHFFFAOYSA-N -1 3 364.254 2.567 50 0 FFAAHM C[C@@H](NC(=O)COC(=O)c1ccc([O-])cc1O)C12CC3CC(CC(C3)C1)C2 ZINC000005104047 207081059 /nfs/dbraw/zinc/08/10/59/207081059.db2.gz RQJOPJMDMMQAAO-CSNVJCEJSA-N -1 3 373.449 2.976 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)[C@H](C)Oc2ccc3c(c2)CCC3)N1 ZINC000006394378 207139220 /nfs/dbraw/zinc/13/92/20/207139220.db2.gz VCTPHYFMWLLDFM-MEDUHNTESA-N -1 3 356.344 2.802 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(F)c1 ZINC000006509815 207143045 /nfs/dbraw/zinc/14/30/45/207143045.db2.gz FDEWMMXVFDROFQ-INIZCTEOSA-N -1 3 368.405 2.906 50 0 FFAAHM CC(C)[C@@H](NC(=O)Cn1[n-]c(=O)c2ccccc2c1=O)c1cccs1 ZINC000007040989 207184665 /nfs/dbraw/zinc/18/46/65/207184665.db2.gz KWASXRMNMZWHMF-MRXNPFEDSA-N -1 3 357.435 2.677 50 0 FFAAHM COc1cc(=O)n(-c2ccccc2C)nc1C(=O)Nc1ccccc1[O-] ZINC000007457009 207196678 /nfs/dbraw/zinc/19/66/78/207196678.db2.gz WIRKHGHBBOHFRM-UHFFFAOYSA-N -1 3 351.362 2.507 50 0 FFAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(F)c1 ZINC000009528482 207275701 /nfs/dbraw/zinc/27/57/01/207275701.db2.gz SBXVETKJAOVORC-OAHLLOKOSA-N -1 3 370.471 2.507 50 0 FFAAHM O=c1[n-]nc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)n1C1CC1 ZINC000026112454 207907733 /nfs/dbraw/zinc/90/77/33/207907733.db2.gz FQFJNHWYORFTSV-GFCCVEGCSA-N -1 3 372.479 2.604 50 0 FFAAHM Cc1nc(NC(=O)Cc2c(C)nc(C)[n-]c2=O)sc1-c1ccccc1 ZINC000031369796 208012310 /nfs/dbraw/zinc/01/23/10/208012310.db2.gz YHHOWFKMJGJECZ-UHFFFAOYSA-N -1 3 354.435 3.000 50 0 FFAAHM O=C(c1csc(S(=O)(=O)[N-]Cc2cccs2)c1)N1CCCCC1 ZINC000035405214 208124865 /nfs/dbraw/zinc/12/48/65/208124865.db2.gz ZCVUTAZHKVFUAJ-UHFFFAOYSA-N -1 3 370.521 2.914 50 0 FFAAHM O=C1COc2cc(S(=O)(=O)[N-]CCC3=CCCCC3)c(Cl)cc2N1 ZINC000021650753 220362161 /nfs/dbraw/zinc/36/21/61/220362161.db2.gz KSVWYKDSACWNAV-UHFFFAOYSA-N -1 3 370.858 2.840 50 0 FFAAHM COc1ccc(CCCC(=O)N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)cc1 ZINC000092037386 209013392 /nfs/dbraw/zinc/01/33/92/209013392.db2.gz FPRGNVDEXIUGAH-QGZVFWFLSA-N -1 3 369.465 2.816 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3cccnc3)CC2)cc1C ZINC000095359153 209027893 /nfs/dbraw/zinc/02/78/93/209027893.db2.gz ATSJTNCQDPDBIV-FQEVSTJZSA-N -1 3 369.465 2.732 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)cc1F ZINC000095377923 209038253 /nfs/dbraw/zinc/03/82/53/209038253.db2.gz SICSNNFCMMBXJM-GOSISDBHSA-N -1 3 359.397 2.944 50 0 FFAAHM CCOc1cccc([C@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)c1 ZINC000095383181 209042770 /nfs/dbraw/zinc/04/27/70/209042770.db2.gz MWWQXMXSEGZUKG-HXUWFJFHSA-N -1 3 369.465 2.814 50 0 FFAAHM COCCn1cc(C(=O)Nc2n[n-]c([C@H]3CCCO3)n2)c2ccccc21 ZINC000095477379 209058460 /nfs/dbraw/zinc/05/84/60/209058460.db2.gz ZXESKJZXNAKUAS-OAHLLOKOSA-N -1 3 355.398 2.510 50 0 FFAAHM CN1CCCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc2C1=O ZINC000065258726 506277903 /nfs/dbraw/zinc/27/79/03/506277903.db2.gz FTMKJUFZMJDECP-UHFFFAOYSA-N -1 3 371.821 2.557 50 0 FFAAHM CCN1C(=O)N[C@H](c2cc(Cl)c([O-])c(OC)c2)C(C(=O)OC)=C1C ZINC000002773328 506291998 /nfs/dbraw/zinc/29/19/98/506291998.db2.gz VCRRUCFDNVNOMU-CYBMUJFWSA-N -1 3 354.790 2.587 50 0 FFAAHM O=C(COC(=O)c1ccc([O-])cc1O)Nc1ccccc1Br ZINC000003417878 506328740 /nfs/dbraw/zinc/32/87/40/506328740.db2.gz NAMYZCVGPPEMCJ-UHFFFAOYSA-N -1 3 366.167 2.656 50 0 FFAAHM CC1(C)CC(=O)c2c([O-])cc(OCC(=O)NCc3ccc(F)cc3)cc2O1 ZINC000006719668 506500949 /nfs/dbraw/zinc/50/09/49/506500949.db2.gz ULIMGWJQAYCRJC-UHFFFAOYSA-N -1 3 373.380 2.970 50 0 FFAAHM CC[C@@H](C)[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000054635100 506593199 /nfs/dbraw/zinc/59/31/99/506593199.db2.gz JMTVLVPQHLDTSU-ADLMAVQZSA-N -1 3 367.453 2.709 50 0 FFAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(CC)CCO3)cc1 ZINC000009828196 506712144 /nfs/dbraw/zinc/71/21/44/506712144.db2.gz NETYPSADAAICEZ-UHFFFAOYSA-N -1 3 374.462 2.904 50 0 FFAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3C)cc2CC1=O ZINC000010063731 506724376 /nfs/dbraw/zinc/72/43/76/506724376.db2.gz OWJHANWJMDRZSU-UHFFFAOYSA-N -1 3 360.435 2.713 50 0 FFAAHM Cc1csc2nc([O-])c(C(=O)N[C@H](C)CCc3ccccc3)c(=O)n12 ZINC000010166732 506730518 /nfs/dbraw/zinc/73/05/18/506730518.db2.gz LLSZVASOHNDDKJ-LLVKDONJSA-N -1 3 357.435 2.521 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cccc(OCc2ccccn2)c1 ZINC000056064020 506921778 /nfs/dbraw/zinc/92/17/78/506921778.db2.gz HSXVRFBQYVMWPF-UHFFFAOYSA-N -1 3 373.434 2.744 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]c2cc(F)ccc2F)ccc1NC(C)=O ZINC000013058874 506927346 /nfs/dbraw/zinc/92/73/46/506927346.db2.gz ULXLVJZEGJUWRN-UHFFFAOYSA-N -1 3 356.350 2.733 50 0 FFAAHM CC(C)Cn1nc(C(=O)[O-])c2c1CC[C@@H](N1CCOc3ccccc3C1)C2 ZINC000067604232 506944364 /nfs/dbraw/zinc/94/43/64/506944364.db2.gz ACBCOGQDMDYWEZ-MRXNPFEDSA-N -1 3 369.465 2.989 50 0 FFAAHM CCCn1c(=O)[n-]nc1SCc1nc(=O)c2c(C)c(C)sc2[nH]1 ZINC000014095643 506966642 /nfs/dbraw/zinc/96/66/42/506966642.db2.gz USRPKVSFPRBYQZ-UHFFFAOYSA-N -1 3 351.457 2.601 50 0 FFAAHM NC(=O)Cc1csc([N-]C(=O)c2cc(-c3ccc(Cl)cc3)on2)n1 ZINC000014139614 506969106 /nfs/dbraw/zinc/96/91/06/506969106.db2.gz ACMBFVZGRGBLPE-UHFFFAOYSA-N -1 3 362.798 2.732 50 0 FFAAHM Cc1nc2sccc2c(=O)n1[N-]C(=O)Cc1c(F)cccc1Cl ZINC000014185080 506976435 /nfs/dbraw/zinc/97/64/35/506976435.db2.gz RNDUWJVSERIFTA-UHFFFAOYSA-N -1 3 351.790 2.872 50 0 FFAAHM C[C@H](C(=O)NC1CCCCC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043567 507014479 /nfs/dbraw/zinc/01/44/79/507014479.db2.gz SBUZHXCZPXMUOQ-OAHLLOKOSA-N -1 3 373.497 2.880 50 0 FFAAHM COc1cc2[n-]c(=S)n(CCN3CCCC[C@H]3C)c(=O)c2cc1OC ZINC000020644484 507229816 /nfs/dbraw/zinc/22/98/16/507229816.db2.gz GKCRLEJIHVWPPI-GFCCVEGCSA-N -1 3 363.483 2.577 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(CCc2ccncc2)CC1 ZINC000020676761 507232066 /nfs/dbraw/zinc/23/20/66/507232066.db2.gz FVSRUVLQALXMGV-FQEVSTJZSA-N -1 3 364.449 2.549 50 0 FFAAHM CC(C)=C[C@H]1[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1(C)C ZINC000058390692 507411199 /nfs/dbraw/zinc/41/11/99/507411199.db2.gz CWHMUZCUIQSSCY-FUHWJXTLSA-N -1 3 356.466 2.915 50 0 FFAAHM COCCCn1c(=O)[n-]nc1S[C@@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000024502598 507417508 /nfs/dbraw/zinc/41/75/08/507417508.db2.gz RBPJKPBEDYIOQL-NSHDSACASA-N -1 3 360.439 2.865 50 0 FFAAHM COc1ccc2cc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)[nH]c2c1 ZINC000024896267 507447006 /nfs/dbraw/zinc/44/70/06/507447006.db2.gz WKXRLMXQTTWTHM-UHFFFAOYSA-N -1 3 359.407 2.800 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccccc2)on1 ZINC000024892188 507447403 /nfs/dbraw/zinc/44/74/03/507447403.db2.gz IGFMHQWGQWTHOG-UHFFFAOYSA-N -1 3 357.391 2.965 50 0 FFAAHM COCc1ncc(CN2CCC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000072138867 507755484 /nfs/dbraw/zinc/75/54/84/507755484.db2.gz QSDVADUYGWGTOB-INIZCTEOSA-N -1 3 355.438 2.776 50 0 FFAAHM Cc1ccc([C@@H]2CN(C(=O)c3ncccc3[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072172810 507769901 /nfs/dbraw/zinc/76/99/01/507769901.db2.gz USJQUUNEIGBRDY-IOMROCGXSA-N -1 3 363.461 2.798 50 0 FFAAHM COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1 ZINC000072301571 507773399 /nfs/dbraw/zinc/77/33/99/507773399.db2.gz BLVURHCSIMYTRR-CABCVRRESA-N -1 3 369.421 2.663 50 0 FFAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000072468433 507794523 /nfs/dbraw/zinc/79/45/23/507794523.db2.gz SNWCJIIJTUSNNX-KRWDZBQOSA-N -1 3 367.380 2.859 50 0 FFAAHM CCc1ccc(S(=O)(=O)[N-]c2cccc3c2CN(CCN(C)C)C3)cc1 ZINC000089286411 507827008 /nfs/dbraw/zinc/82/70/08/507827008.db2.gz JWUXLXSRDZSOTO-UHFFFAOYSA-N -1 3 373.522 2.927 50 0 FFAAHM COc1cccc2ccc(CN3C[C@@H](c4ccncc4)[C@H](C(=O)[O-])C3)nc21 ZINC000091468399 507988079 /nfs/dbraw/zinc/98/80/79/507988079.db2.gz KMZVKASILNYQIK-ZWKOTPCHSA-N -1 3 363.417 2.939 50 0 FFAAHM COc1cc(C)ccc1CN1CCC2(CCC(=O)N([C@H](C)C(=O)[O-])C2)CC1 ZINC000091691591 508003307 /nfs/dbraw/zinc/00/33/07/508003307.db2.gz JRNOKWVRNNLPBP-MRXNPFEDSA-N -1 3 374.481 2.681 50 0 FFAAHM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2c(C)nn(C)c2C)CC1 ZINC000082114411 508226239 /nfs/dbraw/zinc/22/62/39/508226239.db2.gz HPYFRPQWHVHOIC-UHFFFAOYSA-N -1 3 373.453 2.544 50 0 FFAAHM CCc1nc(C)c(CC(=O)N2CCCC[C@H]2c2cccc(OC)c2)c(=O)[n-]1 ZINC000077407283 508311827 /nfs/dbraw/zinc/31/18/27/508311827.db2.gz MMNCMTPKUKJMGP-SFHVURJKSA-N -1 3 369.465 2.946 50 0 FFAAHM O=C(c1ccc(-c2cccs2)cc1)N1CCC(n2c([O-])coc2=O)CC1 ZINC000253401922 509876974 /nfs/dbraw/zinc/87/69/74/509876974.db2.gz NSUPTQSPLABLJE-UHFFFAOYSA-N -1 3 370.430 2.999 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N2CC[C@@H](C(F)(F)F)C(C)(C)C2)c(=O)[n-]1 ZINC000190683897 510283401 /nfs/dbraw/zinc/28/34/01/510283401.db2.gz YCILPYSKEBQGKR-CYBMUJFWSA-N -1 3 359.392 2.756 50 0 FFAAHM C[C@H](C(=O)[N-]c1cc(-c2cccs2)no1)n1nc2c(cc1=O)CCC2 ZINC000585150165 518546983 /nfs/dbraw/zinc/54/69/83/518546983.db2.gz DPIWLTXLKOGMCF-SNVBAGLBSA-N -1 3 356.407 2.648 50 0 FFAAHM C[C@@H]1CN(C)c2ccccc2N(C(=O)c2ccc([N-]S(C)(=O)=O)cc2)C1 ZINC000582214697 518639557 /nfs/dbraw/zinc/63/95/57/518639557.db2.gz UEUKHAKFKQUZOD-CQSZACIVSA-N -1 3 373.478 2.791 50 0 FFAAHM CCn1[n-]ccc1=NC(=O)c1ccc(OCc2c(C)noc2C)c(OC)c1 ZINC000606346794 521032995 /nfs/dbraw/zinc/03/29/95/521032995.db2.gz GEERYVUXYSZVTI-UHFFFAOYSA-N -1 3 370.409 2.770 50 0 FFAAHM CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1nnc(SC)[n-]1 ZINC000020606931 521672554 /nfs/dbraw/zinc/67/25/54/521672554.db2.gz LBDXNYMIARAOOC-UHFFFAOYSA-N -1 3 357.443 2.811 50 0 FFAAHM CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1nc(SC)n[n-]1 ZINC000020606931 521672555 /nfs/dbraw/zinc/67/25/55/521672555.db2.gz LBDXNYMIARAOOC-UHFFFAOYSA-N -1 3 357.443 2.811 50 0 FFAAHM CCCn1ncc2c1nc(C1CC1)cc2C(=O)Nc1n[n-]c(SC)n1 ZINC000020606931 521672557 /nfs/dbraw/zinc/67/25/57/521672557.db2.gz LBDXNYMIARAOOC-UHFFFAOYSA-N -1 3 357.443 2.811 50 0 FFAAHM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000088547388 527182950 /nfs/dbraw/zinc/18/29/50/527182950.db2.gz PTPSXAPVWYTHGV-HNNXBMFYSA-N -1 3 363.439 2.925 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1CC)CC(=O)N2 ZINC000046073924 570923771 /nfs/dbraw/zinc/92/37/71/570923771.db2.gz NZVIZHLNBQZLAW-LLVKDONJSA-N -1 3 372.450 2.509 50 0 FFAAHM COc1cc(C)c(CN(C)C(=O)c2nnc3ccccc3c2[O-])cc1OC ZINC000111541087 570933396 /nfs/dbraw/zinc/93/33/96/570933396.db2.gz GAJUPIJRAUYCHP-UHFFFAOYSA-N -1 3 367.405 2.521 50 0 FFAAHM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)c1ccccc1 ZINC000736810381 599959858 /nfs/dbraw/zinc/95/98/58/599959858.db2.gz OEXWLDDDODUBEW-JXFKEZNVSA-N -1 3 354.450 2.625 50 0 FFAAHM O=C(COc1ccc(F)cc1)NN=Cc1cc(Br)ccc1[O-] ZINC000254866614 729626995 /nfs/dbraw/zinc/62/69/95/729626995.db2.gz NMELMPRDUXEJBP-UHFFFAOYSA-N -1 3 367.174 2.823 50 0 FFAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1ccc(F)c(F)c1 ZINC000047031880 209328372 /nfs/dbraw/zinc/32/83/72/209328372.db2.gz DKAPARYMUWGTFQ-OAHLLOKOSA-N -1 3 356.394 2.673 50 0 FFAAHM O=S(=O)([N-]C[C@H]1CCOc2ccccc2C1)c1ccc(-c2cc[nH]n2)o1 ZINC000097527345 209184662 /nfs/dbraw/zinc/18/46/62/209184662.db2.gz KZGJCEKXILJYKW-ZDUSSCGKSA-N -1 3 373.434 2.589 50 0 FFAAHM Cc1ccc(NC(=O)CCNS(=O)(=O)/C=C\c2ccccc2)c([O-])c1 ZINC000096653099 209156314 /nfs/dbraw/zinc/15/63/14/209156314.db2.gz OXKRCAFMTVZAJH-BENRWUELSA-N -1 3 360.435 2.620 50 0 FFAAHM O=C(C[N-]S(=O)(=O)/C=C/c1ccccc1)OC/C=C\c1ccccc1 ZINC000096499510 209153261 /nfs/dbraw/zinc/15/32/61/209153261.db2.gz GWLIVOLKSFHHBC-XSAPRFFASA-N -1 3 357.431 2.833 50 0 FFAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)C(F)(F)F)cc1)C(F)(F)F ZINC000002333894 206910602 /nfs/dbraw/zinc/91/06/02/206910602.db2.gz VBKBFNSLHIHJGN-LLVKDONJSA-N -1 3 359.222 2.500 50 0 FFAAHM CCOc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)cc1 ZINC000004270331 207009522 /nfs/dbraw/zinc/00/95/22/207009522.db2.gz UZPOHESGSSRSGI-UHFFFAOYSA-N -1 3 372.446 2.721 50 0 FFAAHM COc1ccc(C(=O)N2NC(C(F)(F)F)=C[C@@]2([O-])C(F)(F)F)cc1 ZINC000004863216 207055174 /nfs/dbraw/zinc/05/51/74/207055174.db2.gz RETLZFUQLUKTHR-LLVKDONJSA-N -1 3 356.222 2.710 50 0 FFAAHM Cc1ccc(CNC(=O)CO[N-]C(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000007985762 207214615 /nfs/dbraw/zinc/21/46/15/207214615.db2.gz NSFYOLOTSXIYHU-UHFFFAOYSA-N -1 3 356.466 2.875 50 0 FFAAHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@H]2c2ccc(OC)cc2)cc1 ZINC000009451318 207271373 /nfs/dbraw/zinc/27/13/73/207271373.db2.gz CZAYPOUQXLNATA-IBGZPJMESA-N -1 3 368.433 2.797 50 0 FFAAHM O=C(NCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009460321 207272468 /nfs/dbraw/zinc/27/24/68/207272468.db2.gz NFQOSDRYGBZCOE-UHFFFAOYSA-N -1 3 364.854 2.711 50 0 FFAAHM Cc1ccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)nc1 ZINC000009341775 207267084 /nfs/dbraw/zinc/26/70/84/207267084.db2.gz CHTBSRPULBMHEV-UHFFFAOYSA-N -1 3 356.378 2.857 50 0 FFAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccco1 ZINC000009646562 207279569 /nfs/dbraw/zinc/27/95/69/207279569.db2.gz HBOYOXBWOMXYRA-UHFFFAOYSA-N -1 3 351.405 2.759 50 0 FFAAHM O=C1N[C@H](c2cccs2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000011859140 207325258 /nfs/dbraw/zinc/32/52/58/207325258.db2.gz VTKDNOOWBIARLM-JMSVASOKSA-N -1 3 370.352 2.852 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2F)s1 ZINC000032551262 208031891 /nfs/dbraw/zinc/03/18/91/208031891.db2.gz MPDXCVFJAAQOGT-SNVBAGLBSA-N -1 3 356.444 2.563 50 0 FFAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCSCC3)c2c1 ZINC000036366146 208158958 /nfs/dbraw/zinc/15/89/58/208158958.db2.gz FHBAQIVXRQTXJD-MRXNPFEDSA-N -1 3 361.467 2.937 50 0 FFAAHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000036395451 208163695 /nfs/dbraw/zinc/16/36/95/208163695.db2.gz ZIYBCIONPKZPIK-UFBFGSQYSA-N -1 3 358.225 2.501 50 0 FFAAHM COc1ccc([C@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)cc1OC ZINC000048302903 208399221 /nfs/dbraw/zinc/39/92/21/208399221.db2.gz ZKLCLGQTNUTSAD-MRXNPFEDSA-N -1 3 352.394 2.952 50 0 FFAAHM CCN1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(Cl)cc1[O-])CC2 ZINC000091847950 209000676 /nfs/dbraw/zinc/00/06/76/209000676.db2.gz SIBXFGWTQWERTQ-UHFFFAOYSA-N -1 3 374.872 2.778 50 0 FFAAHM O=C([O-])c1ccccc1CN1C[C@H]2CC[C@@H]1CN(Cc1cccnc1)C2 ZINC000095363211 209029558 /nfs/dbraw/zinc/02/95/58/209029558.db2.gz GIYXGSSBECEJGV-PKOBYXMFSA-N -1 3 351.450 2.876 50 0 FFAAHM CCCCNC(=O)Nc1ccc([C@@H](C(=O)[O-])N2CCSCC2)cc1 ZINC000095375439 209037247 /nfs/dbraw/zinc/03/72/47/209037247.db2.gz PORIBIAJOIOCNI-HNNXBMFYSA-N -1 3 351.472 2.783 50 0 FFAAHM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)CNC(=O)c1cccc([O-])c1 ZINC000095945640 209088008 /nfs/dbraw/zinc/08/80/08/209088008.db2.gz ZQKKQIAZKKTLEG-UHFFFAOYSA-N -1 3 366.339 2.799 50 0 FFAAHM C[C@H](C1CCN(c2cc(C(=O)[O-])c3ccccc3n2)CC1)N1CCOCC1 ZINC000095375508 132209077 /nfs/dbraw/zinc/20/90/77/132209077.db2.gz ZYCMXRCBKDMHTL-OAHLLOKOSA-N -1 3 369.465 2.870 50 0 FFAAHM COc1ccccc1N1CCN(c2nc(-c3ccccc3)cc(=O)[n-]2)CC1 ZINC000009668950 132846868 /nfs/dbraw/zinc/84/68/68/132846868.db2.gz GSWCQSSNTFDOHW-UHFFFAOYSA-N -1 3 362.433 2.772 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2C(=O)[O-])CC1 ZINC000033078730 132930371 /nfs/dbraw/zinc/93/03/71/132930371.db2.gz IMTALCSTDPUEPH-UHFFFAOYSA-N -1 3 353.422 2.779 50 0 FFAAHM O=C([O-])[C@H](CC(=O)Nc1ccccc1)CN1CCN(c2ccccc2)CC1 ZINC000061720149 136132552 /nfs/dbraw/zinc/13/25/52/136132552.db2.gz LWIVPGRYBJKNPX-QGZVFWFLSA-N -1 3 367.449 2.538 50 0 FFAAHM Cc1ccc2nc(C)c(C)c(C(=O)NCCc3nc(C)cc(=O)[n-]3)c2c1 ZINC000095527938 209076792 /nfs/dbraw/zinc/07/67/92/209076792.db2.gz FHFSGZHRMDRQKH-UHFFFAOYSA-N -1 3 350.422 2.524 50 0 FFAAHM O=C(COc1ccc(F)cc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010292903 263364423 /nfs/dbraw/zinc/36/44/23/263364423.db2.gz ZSPAUWMWKJWUSP-UHFFFAOYSA-N -1 3 372.396 2.787 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCn1cnc2ccccc21 ZINC000064888242 506238163 /nfs/dbraw/zinc/23/81/63/506238163.db2.gz SKPCIEOYVNHNOJ-UHFFFAOYSA-N -1 3 365.842 2.677 50 0 FFAAHM CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2NC(=O)[N-]C2=O)cc1 ZINC000001464338 506264653 /nfs/dbraw/zinc/26/46/53/506264653.db2.gz KIYCPZUGSBNQLX-SFHVURJKSA-N -1 3 362.389 2.819 50 0 FFAAHM Cc1cc(C)cc(N2CC[C@@H]([N-]S(=O)(=O)Cc3ccccc3)C2=O)c1 ZINC000065229318 506271073 /nfs/dbraw/zinc/27/10/73/506271073.db2.gz SBAPVNJFXDVSAK-GOSISDBHSA-N -1 3 358.463 2.528 50 0 FFAAHM Cc1cc(=O)[n-]c(NCCNCc2cnc(-c3ccccc3C)s2)n1 ZINC000065373247 506290300 /nfs/dbraw/zinc/29/03/00/506290300.db2.gz NHBJJGJZPRGAOI-UHFFFAOYSA-N -1 3 355.467 2.712 50 0 FFAAHM CC(C)NC(=O)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000003376417 506325326 /nfs/dbraw/zinc/32/53/26/506325326.db2.gz YSFHFHJTQRGEKK-UHFFFAOYSA-N -1 3 369.447 2.747 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2C(=O)[O-])CC1 ZINC000033078728 506331918 /nfs/dbraw/zinc/33/19/18/506331918.db2.gz BDPDCKWDXRBCIX-UHFFFAOYSA-N -1 3 371.412 2.918 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)NCc1cccnc1 ZINC000004054226 506357172 /nfs/dbraw/zinc/35/71/72/506357172.db2.gz GELPBIQZKAXKIU-CQSZACIVSA-N -1 3 363.211 2.660 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)C[C@H](NCc1ccccc1)C(=O)[O-] ZINC000004192521 506364821 /nfs/dbraw/zinc/36/48/21/506364821.db2.gz INOQUKWAUGDPTA-HNNXBMFYSA-N -1 3 362.813 2.920 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)NCc1cccnc1 ZINC000004330021 506372679 /nfs/dbraw/zinc/37/26/79/506372679.db2.gz VFYFPECKAVBZIN-CQSZACIVSA-N -1 3 368.220 2.960 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1N1CCCC1=O ZINC000005329630 506437540 /nfs/dbraw/zinc/43/75/40/506437540.db2.gz FLBJGYZBMJYGTM-UHFFFAOYSA-N -1 3 360.435 2.931 50 0 FFAAHM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000007708516 506583452 /nfs/dbraw/zinc/58/34/52/506583452.db2.gz ROVYCMPWFMYSAJ-UHFFFAOYSA-N -1 3 352.362 2.892 50 0 FFAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2F)ccc1C ZINC000009252353 506687649 /nfs/dbraw/zinc/68/76/49/506687649.db2.gz YNUUGBHKQLKJKD-UHFFFAOYSA-N -1 3 354.378 2.824 50 0 FFAAHM Cc1nc(C)c(CC(=O)N2CCCC[C@H]2CCc2ccc(O)cc2)c(=O)[n-]1 ZINC000055269952 506715078 /nfs/dbraw/zinc/71/50/78/506715078.db2.gz QPMDOQKZFRFNAY-KRWDZBQOSA-N -1 3 369.465 2.649 50 0 FFAAHM CCOc1ccc(C(=O)NCC(=O)Nc2ccc(C)cc2[O-])cc1OCC ZINC000014164911 506973248 /nfs/dbraw/zinc/97/32/48/506973248.db2.gz INEJLRXUOOPZMK-UHFFFAOYSA-N -1 3 372.421 2.867 50 0 FFAAHM O=C(c1cnc[n-]c1=O)N1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067834485 507021886 /nfs/dbraw/zinc/02/18/86/507021886.db2.gz FXXVQFDMVWFNOR-UHFFFAOYSA-N -1 3 372.384 2.777 50 0 FFAAHM COc1ccc2c(C)nc(N3CCC[C@H](c4cc(=O)[n-]c(C)n4)C3)nc2c1 ZINC000067879611 507036555 /nfs/dbraw/zinc/03/65/55/507036555.db2.gz HXVJXDSCSMFMFG-AWEZNQCLSA-N -1 3 365.437 2.723 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1nc3cc(C)ccc3[nH]1)C2 ZINC000067920853 507052513 /nfs/dbraw/zinc/05/25/13/507052513.db2.gz RFOXRYZNQIGTOT-ZDUSSCGKSA-N -1 3 367.453 2.775 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1nc3ccc(C)cc3[nH]1)C2 ZINC000067920853 507052519 /nfs/dbraw/zinc/05/25/19/507052519.db2.gz RFOXRYZNQIGTOT-ZDUSSCGKSA-N -1 3 367.453 2.775 50 0 FFAAHM O=S(=O)([N-]CCOc1ccc(-c2ccccc2)nn1)c1ccccc1F ZINC000017192135 507119435 /nfs/dbraw/zinc/11/94/35/507119435.db2.gz GEAVPXRUDLHBAT-UHFFFAOYSA-N -1 3 373.409 2.640 50 0 FFAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4cccnc4)CC3)c2c1 ZINC000020744783 507233518 /nfs/dbraw/zinc/23/35/18/507233518.db2.gz VRXINUZQIKYWJT-FQEVSTJZSA-N -1 3 364.449 2.815 50 0 FFAAHM O=S(=O)([N-]Cc1cccc2c1OCCO2)c1ccc(F)cc1Cl ZINC000058263834 507395383 /nfs/dbraw/zinc/39/53/83/507395383.db2.gz AULZCBHLLKKOBQ-UHFFFAOYSA-N -1 3 357.790 2.729 50 0 FFAAHM COC(=O)c1sc([N-]C(=O)c2nc(SC)ncc2Cl)nc1C ZINC000027742993 507680298 /nfs/dbraw/zinc/68/02/98/507680298.db2.gz MPEGXDBNBFQVFF-UHFFFAOYSA-N -1 3 358.832 2.656 50 0 FFAAHM CCOC(=O)C[C@@H](c1ccc(F)cc1Cl)c1oc(CO)cc(=O)c1[O-] ZINC000071282739 507700703 /nfs/dbraw/zinc/70/07/03/507700703.db2.gz SMBCYDNBVMCPHW-LBPRGKRZSA-N -1 3 370.760 2.715 50 0 FFAAHM Cc1nc([C@@H]2CCCN(Cc3sc(N(C)C)nc3Cl)C2)cc(=O)[n-]1 ZINC000072149035 507758344 /nfs/dbraw/zinc/75/83/44/507758344.db2.gz NUXLTCYZEMNAPH-LLVKDONJSA-N -1 3 367.906 2.634 50 0 FFAAHM Cc1cc(C)c2c(c1)nc(C)cc2C(=O)N1CCc2c(nc(C)[n-]c2=O)C1 ZINC000072158373 507764406 /nfs/dbraw/zinc/76/44/06/507764406.db2.gz XIQVYYGNQGYSMD-UHFFFAOYSA-N -1 3 362.433 2.750 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000072172968 507770286 /nfs/dbraw/zinc/77/02/86/507770286.db2.gz ZYUPACOFCYJEOU-HNNXBMFYSA-N -1 3 366.400 2.723 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000072172968 507770287 /nfs/dbraw/zinc/77/02/87/507770287.db2.gz ZYUPACOFCYJEOU-HNNXBMFYSA-N -1 3 366.400 2.723 50 0 FFAAHM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)c3cnc(C4CC4)[n-]c3=O)nc2c1 ZINC000072429747 507789963 /nfs/dbraw/zinc/78/99/63/507789963.db2.gz DRENQEYBDOHXAI-MRXNPFEDSA-N -1 3 363.421 2.809 50 0 FFAAHM Cc1ccc2nc([C@H]3CCCN3C(=O)c3cnc(C4CC4)[n-]c3=O)[nH]c2c1 ZINC000072429747 507789965 /nfs/dbraw/zinc/78/99/65/507789965.db2.gz DRENQEYBDOHXAI-MRXNPFEDSA-N -1 3 363.421 2.809 50 0 FFAAHM O=C([O-])[C@H]1c2nc[nH]c2CCN1Cc1ccc(OCc2ccccn2)cc1 ZINC000072440334 507792557 /nfs/dbraw/zinc/79/25/57/507792557.db2.gz IFSBUZXKOBWXLK-LJQANCHMSA-N -1 3 364.405 2.568 50 0 FFAAHM COc1ccc(S(=O)(=O)C(F)(F)F)cc1[N-]C(=O)c1cc(C)on1 ZINC000089600975 507850192 /nfs/dbraw/zinc/85/01/92/507850192.db2.gz ISUUNJZNNODYMO-UHFFFAOYSA-N -1 3 364.301 2.537 50 0 FFAAHM Cc1ccc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)c([O-])c1 ZINC000077469812 508320156 /nfs/dbraw/zinc/32/01/56/508320156.db2.gz TVNPTIVXLAWXCX-NRFANRHFSA-N -1 3 356.466 2.955 50 0 FFAAHM COc1cccc(CN2CCC(c3nccn3C)CC2)c1O[C@H](C)C(=O)[O-] ZINC000215193688 509244951 /nfs/dbraw/zinc/24/49/51/509244951.db2.gz DJKJSQVZEBPWMN-CQSZACIVSA-N -1 3 373.453 2.660 50 0 FFAAHM CCc1nc(C)c(CC(=O)N2CC[C@H](c3ccccc3Cl)C2)c(=O)[n-]1 ZINC000219404899 509286687 /nfs/dbraw/zinc/28/66/87/509286687.db2.gz CYLIYJOSFJKEJS-ZDUSSCGKSA-N -1 3 359.857 2.853 50 0 FFAAHM O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCO[C@@H](c2cccnc2)C1 ZINC000221361966 509308501 /nfs/dbraw/zinc/30/85/01/509308501.db2.gz MKJZJCXJSVRAJO-QGZVFWFLSA-N -1 3 369.808 2.790 50 0 FFAAHM CC(C)[C@@H](CNC(=O)CNC(=O)c1ccc([O-])cc1)Cc1ccccc1 ZINC000170605313 509677816 /nfs/dbraw/zinc/67/78/16/509677816.db2.gz RIPLKCOHNTWJKQ-GOSISDBHSA-N -1 3 354.450 2.753 50 0 FFAAHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2)s1 ZINC000242292518 509844656 /nfs/dbraw/zinc/84/46/56/509844656.db2.gz YMXCJLVTHREDBI-LBPRGKRZSA-N -1 3 368.480 2.686 50 0 FFAAHM COc1ccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000243914960 509856302 /nfs/dbraw/zinc/85/63/02/509856302.db2.gz BLCLKBCRTVIQJE-QEEYODRMSA-N -1 3 369.417 2.578 50 0 FFAAHM O=C(CN1CCC[C@H](c2cc(=O)[n-]cn2)C1)Nc1ccc(Cl)cc1F ZINC000244831524 509874044 /nfs/dbraw/zinc/87/40/44/509874044.db2.gz UFKIYPKKWYUJRP-NSHDSACASA-N -1 3 364.808 2.793 50 0 FFAAHM O=C(Nc1cccc2n[n-]nc21)N1CCC([C@H](O)c2cccs2)CC1 ZINC000299755455 511668822 /nfs/dbraw/zinc/66/88/22/511668822.db2.gz CKVUBIKAIQWQBW-INIZCTEOSA-N -1 3 357.439 2.997 50 0 FFAAHM CN1CCN(CCC(=O)Nc2ccsc2C(=O)[O-])C[C@H]1c1ccccc1 ZINC000299798356 511685069 /nfs/dbraw/zinc/68/50/69/511685069.db2.gz SNVKDLDFRIEGSK-INIZCTEOSA-N -1 3 373.478 2.764 50 0 FFAAHM Cc1cc2nc(CCC(=O)NCc3nnc(C(F)(F)F)[n-]3)[nH]c2cc1C ZINC000426376303 513920520 /nfs/dbraw/zinc/92/05/20/513920520.db2.gz JOXDEKVNTWBRNK-UHFFFAOYSA-N -1 3 366.347 2.566 50 0 FFAAHM Cc1cc2nc(CCC(=O)NCc3n[n-]c(C(F)(F)F)n3)[nH]c2cc1C ZINC000426376303 513920531 /nfs/dbraw/zinc/92/05/31/513920531.db2.gz JOXDEKVNTWBRNK-UHFFFAOYSA-N -1 3 366.347 2.566 50 0 FFAAHM Cc1cc2nc(CCC(=O)NCc3nc(C(F)(F)F)n[n-]3)[nH]c2cc1C ZINC000426376303 513920534 /nfs/dbraw/zinc/92/05/34/513920534.db2.gz JOXDEKVNTWBRNK-UHFFFAOYSA-N -1 3 366.347 2.566 50 0 FFAAHM CCc1oc2c(cccc2NC(=O)NCCNc2nc(C)cc(=O)[n-]2)c1C ZINC000426503941 513962413 /nfs/dbraw/zinc/96/24/13/513962413.db2.gz DZLIOGZKABTCLV-UHFFFAOYSA-N -1 3 369.425 3.341 50 0 FFAAHM CCN(C(=O)c1cc(S(=O)(=O)[N-]C)oc1C)c1cc(C)cc(C)c1 ZINC000081658523 520070779 /nfs/dbraw/zinc/07/07/79/520070779.db2.gz YHIDGVSCZIMJCW-UHFFFAOYSA-N -1 3 350.440 2.780 50 0 FFAAHM CC(C)n1[n-]ccc1=NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1 ZINC000606346371 521032928 /nfs/dbraw/zinc/03/29/28/521032928.db2.gz JTYLEVVEJZUMBL-CYBMUJFWSA-N -1 3 356.455 2.586 50 0 FFAAHM COc1ccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c([O-])c1 ZINC000091434230 523674298 /nfs/dbraw/zinc/67/42/98/523674298.db2.gz RRFVEKMLBYMUAO-DLBZAZTESA-N -1 3 367.449 2.532 50 0 FFAAHM Cc1nc([C@H]2CCCN(c3ccc(Cn4ccnc4)cn3)C2)cc(=O)[n-]1 ZINC000082127649 527006531 /nfs/dbraw/zinc/00/65/31/527006531.db2.gz RNOWXQMFAYNUQP-INIZCTEOSA-N -1 3 350.426 2.514 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000046075473 570924388 /nfs/dbraw/zinc/92/43/88/570924388.db2.gz JZGISIDBKRFRAT-NSHDSACASA-N -1 3 372.450 2.563 50 0 FFAAHM CCCNC(=O)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[n-]c(=O)c1C2 ZINC000675010737 971485301 /nfs/dbraw/zinc/48/53/01/971485301.db2.gz KOMQQDLGLAFYOD-CABCVRRESA-N -1 3 352.438 2.900 50 0 FFAAHM CCOc1ccccc1CN(C(=O)Cc1c(C)nc(C)[n-]c1=O)C1CC1 ZINC000198181008 971952612 /nfs/dbraw/zinc/95/26/12/971952612.db2.gz MDVYYEJFLUIKFY-UHFFFAOYSA-N -1 3 355.438 2.519 50 0 FFAAHM O=S(=O)([N-][C@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)s1 ZINC000244719206 209902926 /nfs/dbraw/zinc/90/29/26/209902926.db2.gz LYSJOCQYEPNJBM-RBZYPMLTSA-N -1 3 358.872 2.587 50 0 FFAAHM CC[C@@H]1[C@@H]2C(=O)N(c3ccc(OC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000138629319 209377583 /nfs/dbraw/zinc/37/75/83/209377583.db2.gz AJCJNWXPVDJBKE-FGTMMUONSA-N -1 3 352.390 2.784 50 0 FFAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1ccc(F)cc1F ZINC000047031872 209327808 /nfs/dbraw/zinc/32/78/08/209327808.db2.gz ONOVYLPZZWHNBK-CQSZACIVSA-N -1 3 356.394 2.673 50 0 FFAAHM O=C([O-])[C@@H]1CN(C(=O)c2ccc(CN3CCCCC3)cc2)C[C@H]1C1CC1 ZINC000097757835 209195342 /nfs/dbraw/zinc/19/53/42/209195342.db2.gz KSYDFWJGFVWHIR-RBUKOAKNSA-N -1 3 356.466 2.855 50 0 FFAAHM Cc1ccc(/C=C\S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000096904493 209160958 /nfs/dbraw/zinc/16/09/58/209160958.db2.gz UUHRYERDYPXHIJ-BENRWUELSA-N -1 3 374.462 2.928 50 0 FFAAHM Cn1[n-]c(=O)c2c1nc(C1CC1)cc2C(=O)N[C@@H]1CCCc2ccccc21 ZINC000096797755 209157462 /nfs/dbraw/zinc/15/74/62/209157462.db2.gz OTJUXRVDKHZAGZ-MRXNPFEDSA-N -1 3 362.433 2.946 50 0 FFAAHM Cn1ccc(C(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)n1 ZINC000002781845 206934133 /nfs/dbraw/zinc/93/41/33/206934133.db2.gz OZCCTGXQNAYSJY-UHFFFAOYSA-N -1 3 352.085 2.991 50 0 FFAAHM O=C(Nc1cccnc1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000005448538 207100817 /nfs/dbraw/zinc/10/08/17/207100817.db2.gz QNIGVUFVXNOABW-UHFFFAOYSA-N -1 3 365.389 2.721 50 0 FFAAHM CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000005444397 207100906 /nfs/dbraw/zinc/10/09/06/207100906.db2.gz CHHHCNUMPUPENV-UHFFFAOYSA-N -1 3 372.406 2.972 50 0 FFAAHM CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000005444397 207100909 /nfs/dbraw/zinc/10/09/09/207100909.db2.gz CHHHCNUMPUPENV-UHFFFAOYSA-N -1 3 372.406 2.972 50 0 FFAAHM CCOC(=O)c1ccc(NC(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000005444397 207100914 /nfs/dbraw/zinc/10/09/14/207100914.db2.gz CHHHCNUMPUPENV-UHFFFAOYSA-N -1 3 372.406 2.972 50 0 FFAAHM COc1ccc(CC(=O)N2NC(C(C)C)=C[C@]2([O-])C(F)(F)F)cc1OC ZINC000006305693 207135705 /nfs/dbraw/zinc/13/57/05/207135705.db2.gz PKSPKKIESFBMLT-INIZCTEOSA-N -1 3 374.359 2.742 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OC)ccc1Cl ZINC000006510126 207143414 /nfs/dbraw/zinc/14/34/14/207143414.db2.gz MVNVXQMWHQSEND-UHFFFAOYSA-N -1 3 354.815 2.509 50 0 FFAAHM O=C(Cn1c(COc2ccccc2)nc2ccccc21)[N-]C1=NCCS1 ZINC000006553636 207146351 /nfs/dbraw/zinc/14/63/51/207146351.db2.gz RTGGZHDDRQPZMP-UHFFFAOYSA-N -1 3 366.446 2.834 50 0 FFAAHM Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2[O-])cc1 ZINC000008241887 207224690 /nfs/dbraw/zinc/22/46/90/207224690.db2.gz UUHRYERDYPXHIJ-ZRDIBKRKSA-N -1 3 374.462 2.928 50 0 FFAAHM CC[C@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000009062034 207256544 /nfs/dbraw/zinc/25/65/44/207256544.db2.gz KMRZHQCDRWDXHD-QMMMGPOBSA-N -1 3 352.250 2.543 50 0 FFAAHM CCOc1ccc(-c2noc(CCC(=O)Nc3ncccc3[O-])n2)cc1 ZINC000030516466 208002405 /nfs/dbraw/zinc/00/24/05/208002405.db2.gz NELDEFXFIJBXBI-UHFFFAOYSA-N -1 3 354.366 2.807 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2F)s1 ZINC000032551263 208031315 /nfs/dbraw/zinc/03/13/15/208031315.db2.gz MPDXCVFJAAQOGT-JTQLQIEISA-N -1 3 356.444 2.563 50 0 FFAAHM Cc1nc(C2CCN(C(=O)c3ccc4ncsc4c3)CC2)cc(=O)[n-]1 ZINC000032590351 208031568 /nfs/dbraw/zinc/03/15/68/208031568.db2.gz AARMZYPFWAFDPY-UHFFFAOYSA-N -1 3 354.435 2.708 50 0 FFAAHM Cc1noc(C)c1[N-]C(=O)c1cc(-c2cnn(C)c2)nc2onc(C)c21 ZINC000036618925 208168107 /nfs/dbraw/zinc/16/81/07/208168107.db2.gz QIWFNFKHIUKDDY-UHFFFAOYSA-N -1 3 352.354 2.789 50 0 FFAAHM COc1ccc2c(c1)[n-]cc(C(=O)Nc1ccc(N3CCCC3)nc1)c2=O ZINC000040105420 208228196 /nfs/dbraw/zinc/22/81/96/208228196.db2.gz PPOQNPVAHDRQJW-UHFFFAOYSA-N -1 3 364.405 2.784 50 0 FFAAHM COc1ccc2c(c1)ncc(C(=O)Nc1ccc(N3CCCC3)nc1)c2[O-] ZINC000040105420 208228200 /nfs/dbraw/zinc/22/82/00/208228200.db2.gz PPOQNPVAHDRQJW-UHFFFAOYSA-N -1 3 364.405 2.784 50 0 FFAAHM Cc1ccsc1C(=O)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000047277310 208375765 /nfs/dbraw/zinc/37/57/65/208375765.db2.gz YHHSBFPJYUXLJA-UHFFFAOYSA-N -1 3 352.437 2.554 50 0 FFAAHM COc1cccc2ccc(CN3C[C@@H](c4cccnc4)[C@H](C(=O)[O-])C3)nc21 ZINC000092062147 209014630 /nfs/dbraw/zinc/01/46/30/209014630.db2.gz LVAWOWXBBSNLEG-ZWKOTPCHSA-N -1 3 363.417 2.939 50 0 FFAAHM CCOc1ncccc1[C@H](C(=O)[O-])N1CCCN(c2ccccc2)CC1 ZINC000095371844 209034982 /nfs/dbraw/zinc/03/49/82/209034982.db2.gz MFVLIUBCTKRLKK-GOSISDBHSA-N -1 3 355.438 2.818 50 0 FFAAHM Cc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)c(F)c1 ZINC000095377788 209039617 /nfs/dbraw/zinc/03/96/17/209039617.db2.gz OHNBHGTZQMEJHK-IBGZPJMESA-N -1 3 357.429 2.863 50 0 FFAAHM COc1cc(OC)cc([C@@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)c1 ZINC000095379803 209039898 /nfs/dbraw/zinc/03/98/98/209039898.db2.gz PEXYBDHCHKLFKB-IBGZPJMESA-N -1 3 371.433 2.813 50 0 FFAAHM C[C@H](Cc1ccccc1)OC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000095452843 209052787 /nfs/dbraw/zinc/05/27/87/209052787.db2.gz BMWGSBFHBFFCFD-XCLFUZPHSA-N -1 3 352.390 2.529 50 0 FFAAHM COc1cc(C(=O)N2CC(=O)N(c3ccc(Cl)cc3)C[C@@H]2C)ccc1[O-] ZINC000082114867 132195832 /nfs/dbraw/zinc/19/58/32/132195832.db2.gz NMLWOQAXNGXVEI-LBPRGKRZSA-N -1 3 374.824 2.932 50 0 FFAAHM O=c1cc([C@H]2CCCN(c3cc(-c4ccccc4)nc4ccnn43)C2)nc[n-]1 ZINC000072161520 136143283 /nfs/dbraw/zinc/14/32/83/136143283.db2.gz WRZRJWXCDMAGRE-INIZCTEOSA-N -1 3 372.432 2.864 50 0 FFAAHM Cc1cc(C(=O)N2CC[C@H](C3CCN(c4ncccn4)CC3)C2)ccc1[O-] ZINC000072166413 136143542 /nfs/dbraw/zinc/14/35/42/136143542.db2.gz COYBIQPEBDNDLL-SFHVURJKSA-N -1 3 366.465 2.869 50 0 FFAAHM O=C(NCc1ccccc1)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000000819425 506235538 /nfs/dbraw/zinc/23/55/38/506235538.db2.gz OGQMUPOFJCNMFB-LJQANCHMSA-N -1 3 364.376 2.728 50 0 FFAAHM O=C(Cc1ccc(S(=O)(=O)[N-]C2CCCCCC2)s1)N1CCCC1 ZINC000064919583 506241802 /nfs/dbraw/zinc/24/18/02/506241802.db2.gz BZJHTOSADMOALM-UHFFFAOYSA-N -1 3 370.540 2.914 50 0 FFAAHM FC(F)(F)COc1nc([N-]c2ccccn2)nc(OCC(F)(F)F)n1 ZINC000001440010 506262548 /nfs/dbraw/zinc/26/25/48/506262548.db2.gz CHPKQHHAWHMXOT-UHFFFAOYSA-N -1 3 369.225 2.892 50 0 FFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2c(C)cccc2C)cc1C ZINC000001426003 506262586 /nfs/dbraw/zinc/26/25/86/506262586.db2.gz SWUINSXQQFOKRQ-UHFFFAOYSA-N -1 3 363.435 2.964 50 0 FFAAHM CCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002058314 506270647 /nfs/dbraw/zinc/27/06/47/506270647.db2.gz ILDUOCOEZKKKBH-CQSZACIVSA-N -1 3 368.817 2.978 50 0 FFAAHM Cc1cc(C)cc(N2CC[C@H]([N-]S(=O)(=O)Cc3ccccc3)C2=O)c1 ZINC000065229316 506272077 /nfs/dbraw/zinc/27/20/77/506272077.db2.gz SBAPVNJFXDVSAK-SFHVURJKSA-N -1 3 358.463 2.528 50 0 FFAAHM O=S(=O)([N-]c1ccc(-n2cnnn2)cc1)c1ccc2ccccc2c1 ZINC000003349955 506324687 /nfs/dbraw/zinc/32/46/87/506324687.db2.gz FDSSCGIZSOQLGO-UHFFFAOYSA-N -1 3 351.391 2.616 50 0 FFAAHM CCOC([O-])=NC(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000004494999 506377482 /nfs/dbraw/zinc/37/74/82/506377482.db2.gz BKSVNXNLKCTZSL-UHFFFAOYSA-N -1 3 361.375 2.737 50 0 FFAAHM CCOC(=O)[N-]C(=O)COC(=O)c1cc2c(s1)-c1ccccc1OC2 ZINC000004494999 506377490 /nfs/dbraw/zinc/37/74/90/506377490.db2.gz BKSVNXNLKCTZSL-UHFFFAOYSA-N -1 3 361.375 2.737 50 0 FFAAHM O=C([N-]C1=NN(c2ccccc2)CC1)C1=NN(c2ccccc2)C(=O)CC1 ZINC000005484787 506443870 /nfs/dbraw/zinc/44/38/70/506443870.db2.gz QNZJLHFDBRYEMC-UHFFFAOYSA-N -1 3 361.405 2.509 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc21 ZINC000006819280 506510379 /nfs/dbraw/zinc/51/03/79/506510379.db2.gz FILKJPFGANTWDB-UHFFFAOYSA-N -1 3 368.361 2.511 50 0 FFAAHM O=S(=O)([N-]CCOc1ccccc1)c1ccc(Br)s1 ZINC000007304405 506551199 /nfs/dbraw/zinc/55/11/99/506551199.db2.gz DEEKSTZCWUQVTI-UHFFFAOYSA-N -1 3 362.270 2.868 50 0 FFAAHM COc1ccc(CN2CCN(C3Cc4ccccc4C3)CC2)cc1C(=O)[O-] ZINC000067446678 506884356 /nfs/dbraw/zinc/88/43/56/506884356.db2.gz HGMBPZVWRRICKZ-UHFFFAOYSA-N -1 3 366.461 2.678 50 0 FFAAHM CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(C)c2)cc1 ZINC000012630436 506887053 /nfs/dbraw/zinc/88/70/53/506887053.db2.gz GEIMEOYHHUYPQA-UHFFFAOYSA-N -1 3 373.478 2.756 50 0 FFAAHM Cc1ccc([O-])c(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000012997700 506923920 /nfs/dbraw/zinc/92/39/20/506923920.db2.gz FGBNEWKPPBKNRP-SFHVURJKSA-N -1 3 358.413 2.643 50 0 FFAAHM COc1ccc(Cc2ncc3c(n2)CN(C(=O)c2cccc([O-])c2)C3)cc1 ZINC000067561236 506928459 /nfs/dbraw/zinc/92/84/59/506928459.db2.gz OJPGSPMTXMENST-UHFFFAOYSA-N -1 3 361.401 2.938 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)CCC(=O)c2ccc(C)s2)on1 ZINC000014571100 506994483 /nfs/dbraw/zinc/99/44/83/506994483.db2.gz UEFAIBSBACWDEB-LLVKDONJSA-N -1 3 350.396 2.886 50 0 FFAAHM Cc1[nH]nc2c1[C@H](c1cc(Br)ccc1[O-])C1C(=O)OCC1=N2 ZINC000020086557 507210228 /nfs/dbraw/zinc/21/02/28/507210228.db2.gz BMTDHISOONPCKJ-LBPRGKRZSA-N -1 3 362.183 2.555 50 0 FFAAHM Cc1cc(=O)[n-]c(-c2ccc(CN(CCO)Cc3cccs3)cc2)n1 ZINC000020149461 507212455 /nfs/dbraw/zinc/21/24/55/507212455.db2.gz RWTPOCZNZYKFCT-UHFFFAOYSA-N -1 3 355.463 2.801 50 0 FFAAHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cc(C)ccc2C)c1 ZINC000057784045 507327532 /nfs/dbraw/zinc/32/75/32/507327532.db2.gz HSAUJCOTNXXZQI-UHFFFAOYSA-N -1 3 361.402 2.527 50 0 FFAAHM O=C(Nc1ncccc1O)c1ccc(S(=O)(=O)[N-]c2ccccc2)cc1 ZINC000023079634 507328459 /nfs/dbraw/zinc/32/84/59/507328459.db2.gz SVYKDQBBCIEHFW-UHFFFAOYSA-N -1 3 369.402 2.840 50 0 FFAAHM CC1(C)C[C@@]1(C(=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1)c1cccs1 ZINC000023340350 507347327 /nfs/dbraw/zinc/34/73/27/507347327.db2.gz ZYTIXROYPLTAIW-YJYMSZOUSA-N -1 3 357.479 2.905 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)c(F)c2)cc1 ZINC000048343107 507502768 /nfs/dbraw/zinc/50/27/68/507502768.db2.gz ZFOLMFXIYHYWCN-UHFFFAOYSA-N -1 3 367.398 2.877 50 0 FFAAHM COc1ccc2c(c1)CCN2C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000060471299 507548001 /nfs/dbraw/zinc/54/80/01/507548001.db2.gz GWYYYFJZILYLBD-SFHVURJKSA-N -1 3 366.417 2.595 50 0 FFAAHM Cc1ncc(CC(=O)N2CCC[C@H](CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000071750548 507710413 /nfs/dbraw/zinc/71/04/13/507710413.db2.gz USXZZVHMMOVVBA-OAHLLOKOSA-N -1 3 357.429 2.631 50 0 FFAAHM Cc1ccccc1CC[C@H]1CCCN(C(=O)Cc2cnc(C)[n-]c2=O)C1 ZINC000071755423 507712937 /nfs/dbraw/zinc/71/29/37/507712937.db2.gz VDSCISVDWOSKMY-QGZVFWFLSA-N -1 3 353.466 2.801 50 0 FFAAHM COc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3F)C2)c1[O-] ZINC000072157218 507762973 /nfs/dbraw/zinc/76/29/73/507762973.db2.gz LANOLISOIGLTCF-OAHLLOKOSA-N -1 3 358.413 2.934 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000072172969 507770328 /nfs/dbraw/zinc/77/03/28/507770328.db2.gz ZYUPACOFCYJEOU-OAHLLOKOSA-N -1 3 366.400 2.723 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000072172969 507770329 /nfs/dbraw/zinc/77/03/29/507770329.db2.gz ZYUPACOFCYJEOU-OAHLLOKOSA-N -1 3 366.400 2.723 50 0 FFAAHM CCC[C@H](C)N1CC2(CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)OC1=O ZINC000072409672 507784685 /nfs/dbraw/zinc/78/46/85/507784685.db2.gz CTJUZYJBNLYZDF-ZDUSSCGKSA-N -1 3 371.441 2.574 50 0 FFAAHM Cc1nc(C)c(CC(=O)N(C)Cc2csc(-c3ccccc3)n2)c(=O)[n-]1 ZINC000072422186 507787665 /nfs/dbraw/zinc/78/76/65/507787665.db2.gz OQJOPMZOLSVMDJ-UHFFFAOYSA-N -1 3 368.462 2.711 50 0 FFAAHM Cc1nn2c(nc(-c3ccccc3)cc2NCCc2cc(=O)[n-]cn2)c1C ZINC000072476710 507796225 /nfs/dbraw/zinc/79/62/25/507796225.db2.gz NUQUJXJUOHPVFW-UHFFFAOYSA-N -1 3 360.421 2.751 50 0 FFAAHM CN1CCCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064589011 507803591 /nfs/dbraw/zinc/80/35/91/507803591.db2.gz KFZKIVUOGJJCIO-UHFFFAOYSA-N -1 3 353.422 2.779 50 0 FFAAHM COCCCN1CC2(CCC1=O)CCN(Cc1ccc(C(=O)[O-])cc1)CC2 ZINC000091745899 508007655 /nfs/dbraw/zinc/00/76/55/508007655.db2.gz BYIIYTIIAWWUIG-UHFFFAOYSA-N -1 3 374.481 2.626 50 0 FFAAHM COc1cccc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)c1[O-] ZINC000220276036 509297803 /nfs/dbraw/zinc/29/78/03/509297803.db2.gz SHYNCYHSXFWWRP-JFIBYHEFSA-N -1 3 369.417 2.578 50 0 FFAAHM CC(C)n1cnc(S(=O)(=O)[N-]CC[C@@H](O)c2cccc(Cl)c2)c1 ZINC000225612010 509379495 /nfs/dbraw/zinc/37/94/95/509379495.db2.gz DEFWBETVEDNSTQ-CQSZACIVSA-N -1 3 357.863 2.519 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCc1ccc(C(C)=O)s1 ZINC000225673729 509382293 /nfs/dbraw/zinc/38/22/93/509382293.db2.gz AQWHVFYNAXRIOP-UHFFFAOYSA-N -1 3 357.428 2.619 50 0 FFAAHM Cc1ccc(-c2nc(CN3CCC[C@@H](c4cc(=O)[n-]cn4)C3)no2)cc1 ZINC000243915008 509855891 /nfs/dbraw/zinc/85/58/91/509855891.db2.gz BLLPMGJJGQJXHG-OAHLLOKOSA-N -1 3 351.410 2.920 50 0 FFAAHM CC(C)CCN=c1[n-]c(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)cs1 ZINC000409412982 513102466 /nfs/dbraw/zinc/10/24/66/513102466.db2.gz UXQXLDLTGCHBDZ-KDOFPFPSSA-N -1 3 351.516 3.368 50 0 biogenic FFAAHM Cc1ncsc1CN(Cc1ccccc1)C(=O)c1cnc(C)[n-]c1=O ZINC000091475381 527501117 /nfs/dbraw/zinc/50/11/17/527501117.db2.gz LRDXZCOWTOLPBK-UHFFFAOYSA-N -1 3 354.435 2.686 50 0 FFAAHM Cc1noc(C2CC2)c1[N-]C(=O)c1cc(N2CCNC2=O)c(F)cc1F ZINC000154113538 209478910 /nfs/dbraw/zinc/47/89/10/209478910.db2.gz QOSXIJAPYFPKIP-UHFFFAOYSA-N -1 3 362.336 2.921 50 0 FFAAHM O=C([O-])[C@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000238026382 209358437 /nfs/dbraw/zinc/35/84/37/209358437.db2.gz VTVVTUKIAMDFHW-PKOBYXMFSA-N -1 3 370.424 2.980 50 0 FFAAHM CN(C)[C@@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(F)c1 ZINC000047032699 209327845 /nfs/dbraw/zinc/32/78/45/209327845.db2.gz ROOQXNFMZBUTCR-HNNXBMFYSA-N -1 3 358.385 2.685 50 0 FFAAHM Cc1cc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)[O-])C2)cc(C)c1F ZINC000096147853 209122947 /nfs/dbraw/zinc/12/29/47/209122947.db2.gz BUEZPJPKEHDMHZ-UWJYYQICSA-N -1 3 374.456 2.588 50 0 FFAAHM CC[C@@H](C)NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000002938627 206946076 /nfs/dbraw/zinc/94/60/76/206946076.db2.gz IKIQSSCEJNLYKB-GDBMZVCRSA-N -1 3 364.467 2.912 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)c(C)c2)N1 ZINC000004163586 207004711 /nfs/dbraw/zinc/00/47/11/207004711.db2.gz VWUVGGJZQJZFAZ-CYBMUJFWSA-N -1 3 350.724 2.886 50 0 FFAAHM CCOC(=O)[C@@H]1CCCN(Cc2cc(Br)c([O-])c(OC)c2)C1 ZINC000005326076 207094343 /nfs/dbraw/zinc/09/43/43/207094343.db2.gz GKIVQCMZVKUVDC-GFCCVEGCSA-N -1 3 372.259 2.938 50 0 FFAAHM CCOC(=O)[C@H]1CCCN(Cn2[n-]c(-c3cccs3)nc2=S)C1 ZINC000005928383 207123522 /nfs/dbraw/zinc/12/35/22/207123522.db2.gz KOKZKVZRSALRAJ-NSHDSACASA-N -1 3 352.485 2.902 50 0 FFAAHM COc1ccc(CNC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000006516652 207143793 /nfs/dbraw/zinc/14/37/93/207143793.db2.gz WJXUDPKCNQEHMX-GFCCVEGCSA-N -1 3 369.446 2.729 50 0 FFAAHM CSc1nnc(CCC[N-]S(=O)(=O)c2cccs2)n1CC(C)C ZINC000008059860 207218898 /nfs/dbraw/zinc/21/88/98/207218898.db2.gz WWROBQVDLKRLLY-UHFFFAOYSA-N -1 3 374.557 2.629 50 0 FFAAHM O=C(/C=C/c1ccco1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000008352823 207230677 /nfs/dbraw/zinc/23/06/77/207230677.db2.gz OKBZDAAUIWJRIF-VMPITWQZSA-N -1 3 374.340 2.772 50 0 FFAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1cc(F)cc(F)c1 ZINC000009156852 207259460 /nfs/dbraw/zinc/25/94/60/207259460.db2.gz KWDMBUARHCAQEW-UHFFFAOYSA-N -1 3 351.378 2.683 50 0 FFAAHM Cc1ccc(NC(=O)c2ccc(=O)n(CCOc3ccccc3)n2)c([O-])c1 ZINC000009336806 207267031 /nfs/dbraw/zinc/26/70/31/207267031.db2.gz YLEQAZWNAPFNOF-UHFFFAOYSA-N -1 3 365.389 2.589 50 0 FFAAHM Cc1cc(C)c([N-]c2nnc(SCC(=O)NC(N)=O)s2)c(Cl)c1 ZINC000009949458 207290774 /nfs/dbraw/zinc/29/07/74/207290774.db2.gz BDYFNBZDGPVHCF-UHFFFAOYSA-N -1 3 371.875 2.839 50 0 FFAAHM C[C@H](OC(=O)CC1CCCC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032671840 208036011 /nfs/dbraw/zinc/03/60/11/208036011.db2.gz QEVWAWYDMJVGOO-LBPRGKRZSA-N -1 3 353.440 2.753 50 0 FFAAHM CC(C)C(=O)Nc1ccc2c(c1)[nH]cc2[C@H](C(=O)[O-])N1CCSCC1 ZINC000036365609 208159377 /nfs/dbraw/zinc/15/93/77/208159377.db2.gz NFZUIMWHJVYFGV-MRXNPFEDSA-N -1 3 361.467 2.937 50 0 FFAAHM C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC[C@@H]1NC(=O)[N-]C1=O ZINC000036395452 208163541 /nfs/dbraw/zinc/16/35/41/208163541.db2.gz ZIYBCIONPKZPIK-PELKAZGASA-N -1 3 358.225 2.501 50 0 FFAAHM O=S(=O)(CCc1ccccc1)[N-]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000070636455 208176683 /nfs/dbraw/zinc/17/66/83/208176683.db2.gz NTPHBBMENKHYFH-INIZCTEOSA-N -1 3 373.396 2.599 50 0 FFAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@]1(O)CCc2ccccc21 ZINC000075155734 208192984 /nfs/dbraw/zinc/19/29/84/208192984.db2.gz VFUUWAOOMFSKMX-QGZVFWFLSA-N -1 3 351.855 2.593 50 0 FFAAHM Cc1nc2ccc(C(=O)Nc3ccccc3[N-]S(C)(=O)=O)cc2nc1C ZINC000040070198 208221044 /nfs/dbraw/zinc/22/10/44/208221044.db2.gz QNJCCEDLYKGECO-UHFFFAOYSA-N -1 3 370.434 2.870 50 0 FFAAHM O=c1cc(-c2ccncc2)nc(-c2ccccc2CN2CCCOCC2)[n-]1 ZINC000048090889 208387956 /nfs/dbraw/zinc/38/79/56/208387956.db2.gz HLOZPWFIJPFXGR-UHFFFAOYSA-N -1 3 362.433 2.721 50 0 FFAAHM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCCN(Cc2ccncc2)CC1 ZINC000095375824 209036083 /nfs/dbraw/zinc/03/60/83/209036083.db2.gz YCBWXLNASWLWAW-HXUWFJFHSA-N -1 3 369.465 2.732 50 0 FFAAHM Cc1ccc(C(=O)N2CCC3(C[C@@H](c4ccccc4)C(=O)N3)CC2)c([O-])c1 ZINC000095374155 209036332 /nfs/dbraw/zinc/03/63/32/209036332.db2.gz QSZJPFWSTNNKSX-SFHVURJKSA-N -1 3 364.445 2.979 50 0 FFAAHM COc1cc(OC)cc([C@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)c1 ZINC000095379804 209040042 /nfs/dbraw/zinc/04/00/42/209040042.db2.gz PEXYBDHCHKLFKB-LJQANCHMSA-N -1 3 371.433 2.813 50 0 FFAAHM COc1cc(C)c([C@@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000095384494 209041692 /nfs/dbraw/zinc/04/16/92/209041692.db2.gz DDRHVZZWYQPPMD-FQEVSTJZSA-N -1 3 369.465 2.651 50 0 FFAAHM COc1cc(F)ccc1[C@H](C(=O)[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000095391894 209047832 /nfs/dbraw/zinc/04/78/32/209047832.db2.gz KMMJVHYPLCJFBB-GOSISDBHSA-N -1 3 359.397 2.944 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095391588 209047849 /nfs/dbraw/zinc/04/78/49/209047849.db2.gz XXSZHJPTSHLGCJ-INIZCTEOSA-N -1 3 364.453 2.974 50 0 FFAAHM CC(C)(C)c1ccc(-c2ccc(CN3CCN4C(=O)[N-]C(=O)[C@H]4C3)o2)cc1 ZINC000095467790 209055159 /nfs/dbraw/zinc/05/51/59/209055159.db2.gz UFLKBYANZMUYSQ-QGZVFWFLSA-N -1 3 367.449 2.980 50 0 FFAAHM O=C(COC(=O)c1cc(Cl)[n-]c(=O)c1)N[C@H](c1ccccc1)C1CC1 ZINC000095469380 209055360 /nfs/dbraw/zinc/05/53/60/209055360.db2.gz JAKBZCGSRZQIMJ-QGZVFWFLSA-N -1 3 360.797 2.865 50 0 FFAAHM CCOC(=O)c1[n-]c(C)c(C(=O)OCc2ccccc2)c1CCC(=O)OC ZINC000000639904 506225820 /nfs/dbraw/zinc/22/58/20/506225820.db2.gz MSIMBZOJKCLERC-UHFFFAOYSA-N -1 3 373.405 2.962 50 0 FFAAHM CN(C)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002541727 506281285 /nfs/dbraw/zinc/28/12/85/506281285.db2.gz MLHXMAJLOUQRJN-GOSISDBHSA-N -1 3 354.406 2.540 50 0 FFAAHM Cc1ccccc1-c1noc(CN2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)n1 ZINC000065403554 506292204 /nfs/dbraw/zinc/29/22/04/506292204.db2.gz MDMUGXJLYSLBJT-OAHLLOKOSA-N -1 3 365.437 2.816 50 0 FFAAHM CCOC(=O)C(=C([O-])c1cccnc1)[C@H](C(=O)OCC)c1ccccc1 ZINC000003130201 506311528 /nfs/dbraw/zinc/31/15/28/506311528.db2.gz HOUUXJLVTPCYJH-IAGOWNOFSA-N -1 3 355.390 2.791 50 0 FFAAHM COc1ccc(CC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000004265603 506368281 /nfs/dbraw/zinc/36/82/81/506368281.db2.gz FBMBSEUDUIVHTF-XJKSGUPXSA-N -1 3 356.344 2.877 50 0 FFAAHM CC[N-]S(=O)(=O)c1cc(C)c(Br)cc1Br ZINC000054362948 506542207 /nfs/dbraw/zinc/54/22/07/506542207.db2.gz VCTNTQSXBIIPNB-UHFFFAOYSA-N -1 3 357.067 2.818 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1cccc(F)c1 ZINC000009528481 506702011 /nfs/dbraw/zinc/70/20/11/506702011.db2.gz SBXVETKJAOVORC-HNNXBMFYSA-N -1 3 370.471 2.507 50 0 FFAAHM O=C(CCNS(=O)(=O)c1ccc2c(c1)CCCC2)Nc1ccccc1[O-] ZINC000012776257 506900031 /nfs/dbraw/zinc/90/00/31/506900031.db2.gz ZCTWHARXEWTBTG-UHFFFAOYSA-N -1 3 374.462 2.578 50 0 FFAAHM CC(C)[C@@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC(N)=O ZINC000013135358 506931012 /nfs/dbraw/zinc/93/10/12/506931012.db2.gz MZHFRLYSOOHSCE-SNVBAGLBSA-N -1 3 369.447 2.732 50 0 FFAAHM CCCCn1nnnc1[N-]C(=O)N1CCC[C@@H](C(=O)c2ccccc2)C1 ZINC000023543700 507358639 /nfs/dbraw/zinc/35/86/39/507358639.db2.gz ZUIZHTHOZNGRMQ-OAHLLOKOSA-N -1 3 356.430 2.600 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@@H]1Cc2cc(Cl)ccc2O1 ZINC000024891528 507445959 /nfs/dbraw/zinc/44/59/59/507445959.db2.gz ZPCLRLPHIULXPE-HNNXBMFYSA-N -1 3 366.826 2.654 50 0 FFAAHM CON(C)C(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000024976329 507454103 /nfs/dbraw/zinc/45/41/03/507454103.db2.gz HCZMBCCYCPIZHE-UHFFFAOYSA-N -1 3 354.815 2.774 50 0 FFAAHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000029690256 507786571 /nfs/dbraw/zinc/78/65/71/507786571.db2.gz KBPWRLPQJOUNMY-QZTJIDSGSA-N -1 3 356.466 2.915 50 0 FFAAHM COc1cccc(OC[C@@H]2CCCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000072458574 507793965 /nfs/dbraw/zinc/79/39/65/507793965.db2.gz ILPPVVFEBQQQCP-CQSZACIVSA-N -1 3 366.421 2.898 50 0 FFAAHM Cc1c([C@H](C)NC(=O)c2cnc[n-]c2=O)cnn1-c1cccc2ccccc21 ZINC000091350827 507982418 /nfs/dbraw/zinc/98/24/18/507982418.db2.gz VNLYVPUFJIAYHO-ZDUSSCGKSA-N -1 3 373.416 2.908 50 0 FFAAHM Cc1c([C@H](C)NC(=O)c2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000091793695 508013697 /nfs/dbraw/zinc/01/36/97/508013697.db2.gz YSTSBEKMSITWOR-ZDUSSCGKSA-N -1 3 373.420 2.852 50 0 FFAAHM Cc1c([C@H](C)NC(=O)c2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000091793695 508013698 /nfs/dbraw/zinc/01/36/98/508013698.db2.gz YSTSBEKMSITWOR-ZDUSSCGKSA-N -1 3 373.420 2.852 50 0 FFAAHM COc1ccc([O-])c(C(=O)NCc2ccc(N3CCC(C)CC3)nc2)c1 ZINC000080095489 508036514 /nfs/dbraw/zinc/03/65/14/508036514.db2.gz AJELWPYBAKUGIK-UHFFFAOYSA-N -1 3 355.438 2.962 50 0 FFAAHM Cn1nc(C2CCCCC2)cc1NC(=O)c1nnc2ccccc2c1[O-] ZINC000151016498 508940424 /nfs/dbraw/zinc/94/04/24/508940424.db2.gz HLVPUMTUKDPCBU-UHFFFAOYSA-N -1 3 351.410 2.957 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@H](O)c1cccc(Cl)c1 ZINC000225611613 509379863 /nfs/dbraw/zinc/37/98/63/509379863.db2.gz AIBRPLRRHQDKCY-AWEZNQCLSA-N -1 3 373.833 2.890 50 0 FFAAHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2nn[n-]c21)c1ccc(F)cc1 ZINC000170610711 509679092 /nfs/dbraw/zinc/67/90/92/509679092.db2.gz DQGGKZHQHZEOFR-MNOVXSKESA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2[n-]nnc21)c1ccc(F)cc1 ZINC000170610711 509679102 /nfs/dbraw/zinc/67/91/02/509679102.db2.gz DQGGKZHQHZEOFR-MNOVXSKESA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@@H](NC(=O)[C@H](C)OC(=O)c1cccc2n[n-]nc21)c1ccc(F)cc1 ZINC000170610711 509679111 /nfs/dbraw/zinc/67/91/11/509679111.db2.gz DQGGKZHQHZEOFR-MNOVXSKESA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@H]1CCCCN1C1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000252499378 509843726 /nfs/dbraw/zinc/84/37/26/509843726.db2.gz RZSWMPNOQUUTEK-ZDUSSCGKSA-N -1 3 352.862 2.862 50 0 FFAAHM CC[C@@H]([N-]S(=O)(=O)c1ccc(-c2c(C)noc2C)s1)[C@H]1C[C@H](O)C1 ZINC000244685620 509864045 /nfs/dbraw/zinc/86/40/45/509864045.db2.gz ITNZHRYCQFBIMT-JHJVBQTASA-N -1 3 370.496 2.848 50 0 FFAAHM Cc1n[nH]c(C)c1CCCNC(=O)c1cccc(-c2cc(=O)[n-]cn2)c1 ZINC000299768193 511674552 /nfs/dbraw/zinc/67/45/52/511674552.db2.gz KBGWUNJQHYNIMU-UHFFFAOYSA-N -1 3 351.410 2.552 50 0 FFAAHM Cc1ncc(C(=O)NCc2nnc(C(F)(F)F)[n-]2)c(-c2ccccc2)n1 ZINC000426567173 513982316 /nfs/dbraw/zinc/98/23/16/513982316.db2.gz YMXSSTCVOXGBSA-UHFFFAOYSA-N -1 3 362.315 2.519 50 0 FFAAHM Cc1ncc(C(=O)NCc2n[n-]c(C(F)(F)F)n2)c(-c2ccccc2)n1 ZINC000426567173 513982320 /nfs/dbraw/zinc/98/23/20/513982320.db2.gz YMXSSTCVOXGBSA-UHFFFAOYSA-N -1 3 362.315 2.519 50 0 FFAAHM Cc1ncc(C(=O)NCc2nc(C(F)(F)F)n[n-]2)c(-c2ccccc2)n1 ZINC000426567173 513982328 /nfs/dbraw/zinc/98/23/28/513982328.db2.gz YMXSSTCVOXGBSA-UHFFFAOYSA-N -1 3 362.315 2.519 50 0 FFAAHM COc1cc2c(cc1OC)CN(C(=O)c1[n-]c(=O)nc3ccccc31)CC2 ZINC000426701517 514018732 /nfs/dbraw/zinc/01/87/32/514018732.db2.gz YUPIRKBMTDXMSK-UHFFFAOYSA-N -1 3 365.389 2.551 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(CC)cc1)CC(=O)N2 ZINC000046073933 570923387 /nfs/dbraw/zinc/92/33/87/570923387.db2.gz HADXFXKBHODXQH-LBPRGKRZSA-N -1 3 372.450 2.509 50 0 FFAAHM COc1ccc(NC(=O)[C@H](CCSC)n2cccc2)cc1-c1nnn[n-]1 ZINC000575443987 571152964 /nfs/dbraw/zinc/15/29/64/571152964.db2.gz JECGERZINWUZPS-AWEZNQCLSA-N -1 3 372.454 2.610 50 0 FFAAHM COc1ccc(NC(=O)[C@H](CCSC)n2cccc2)cc1-c1nn[n-]n1 ZINC000575443987 571152965 /nfs/dbraw/zinc/15/29/65/571152965.db2.gz JECGERZINWUZPS-AWEZNQCLSA-N -1 3 372.454 2.610 50 0 FFAAHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000072145393 571172954 /nfs/dbraw/zinc/17/29/54/571172954.db2.gz LDMYJOLZCBHIRQ-MRXNPFEDSA-N -1 3 367.428 2.834 50 0 FFAAHM COC(=O)COc1c(C)cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1C ZINC000084086232 980036323 /nfs/dbraw/zinc/03/63/23/980036323.db2.gz URNJFZOTSLKERB-LICLKQGHSA-N -1 3 365.385 2.666 50 0 FFAAHM CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000179506426 991281959 /nfs/dbraw/zinc/28/19/59/991281959.db2.gz NZKQJLVAJZGRPN-KRWDZBQOSA-N -1 3 365.437 2.717 50 0 FFAAHM Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C1 ZINC000887557443 1028865539 /nfs/dbraw/zinc/86/55/39/1028865539.db2.gz NVGDSTIPQRSYQI-CQSZACIVSA-N -1 3 373.478 2.744 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@@H](C)Oc1ccc(F)cc1Cl)C2 ZINC000299781037 210024792 /nfs/dbraw/zinc/02/47/92/210024792.db2.gz CYQOIZKAJXICLE-MRVPVSSYSA-N -1 3 351.765 2.593 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)CCCc1c[nH]c3ccccc13)C2 ZINC000299759138 210011745 /nfs/dbraw/zinc/01/17/45/210011745.db2.gz OXJFDNHOIXFDIW-UHFFFAOYSA-N -1 3 350.422 2.880 50 0 FFAAHM NC(=O)c1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)cc1 ZINC000061720985 212025780 /nfs/dbraw/zinc/02/57/80/212025780.db2.gz KBFJEFUAXSKYFJ-UHFFFAOYSA-N -1 3 363.373 2.717 50 0 FFAAHM Cc1ccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)cc1 ZINC000015042232 220142528 /nfs/dbraw/zinc/14/25/28/220142528.db2.gz FXHGYCQJARYCQR-UHFFFAOYSA-N -1 3 367.449 2.990 50 0 FFAAHM Cc1nc([N-]C(=O)c2nc3nc(C)cc(C)n3n2)sc1-c1ccccn1 ZINC000023500100 211391158 /nfs/dbraw/zinc/39/11/58/211391158.db2.gz UCBKTNFTYRFGRE-UHFFFAOYSA-N -1 3 365.422 2.820 50 0 FFAAHM O=S(=O)([N-]C1CCN(Cc2cccc(F)c2F)CC1)c1cccs1 ZINC000015517000 211131463 /nfs/dbraw/zinc/13/14/63/211131463.db2.gz GEGKSOUHSRUUHN-UHFFFAOYSA-N -1 3 372.462 2.969 50 0 FFAAHM O=C1N[C@@]([N-]c2ccccn2)(C(F)(F)F)C(=O)N1c1ccc(F)cc1 ZINC000013153144 211026041 /nfs/dbraw/zinc/02/60/41/211026041.db2.gz RSLSYWOCBPGKBV-CQSZACIVSA-N -1 3 354.263 2.648 50 0 FFAAHM Cc1ccc(NC(=O)[C@H](C)[N-]S(=O)(=O)c2ccccc2F)cc1C ZINC000012776049 210991618 /nfs/dbraw/zinc/99/16/18/210991618.db2.gz MUDGZDOIHDBXFQ-ZDUSSCGKSA-N -1 3 350.415 2.748 50 0 FFAAHM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)NCc1ccco1 ZINC000004118422 210509200 /nfs/dbraw/zinc/50/92/00/210509200.db2.gz QPXIVWUVOGFUOP-ZDUSSCGKSA-N -1 3 352.184 2.858 50 0 FFAAHM CN1c2ccccc2/C(=C2/SC(=O)N(c3ccc([O-])cc3)C2=O)C1=O ZINC000001211021 210334710 /nfs/dbraw/zinc/33/47/10/210334710.db2.gz OTXFIFFBWUKPDE-PFONDFGASA-N -1 3 352.371 2.980 50 0 FFAAHM COc1ccc([C@@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)c(OC)c1OC ZINC000071282628 221338317 /nfs/dbraw/zinc/33/83/17/221338317.db2.gz RBQJXVPDFLWUOC-NSHDSACASA-N -1 3 361.398 2.907 50 0 FFAAHM Cc1ccc(CN2C[C@@H](C(=O)[O-])C[C@H](C(=O)Nc3ccc(F)cc3)C2)o1 ZINC000071576144 221352718 /nfs/dbraw/zinc/35/27/18/221352718.db2.gz OGBPEEHPAADLSH-KBPBESRZSA-N -1 3 360.385 2.889 50 0 FFAAHM Cc1ncc(CC(=O)N2CCC[C@@H](CCc3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000071762058 221369902 /nfs/dbraw/zinc/36/99/02/221369902.db2.gz JZLUMFRXXJZLKY-INIZCTEOSA-N -1 3 357.429 2.631 50 0 FFAAHM COc1ccccc1OC1CCN([C@@H](C(=O)[O-])c2ccc(CO)cc2)CC1 ZINC000095355020 221856228 /nfs/dbraw/zinc/85/62/28/221856228.db2.gz SZBQNKNTIQPDOP-HXUWFJFHSA-N -1 3 371.433 2.857 50 0 FFAAHM CC[C@H](C)NC(=O)CSc1nc2ccc([N-]S(C)(=O)=O)cc2s1 ZINC000102835044 222310628 /nfs/dbraw/zinc/31/06/28/222310628.db2.gz CVCKOZRVTAFMDT-VIFPVBQESA-N -1 3 373.525 2.675 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000032721817 506282866 /nfs/dbraw/zinc/28/28/66/506282866.db2.gz PXEWCMWSWUJSAT-UHFFFAOYSA-N -1 3 373.819 2.708 50 0 FFAAHM Cc1cc(C(F)(F)F)nn1CCC[N-]S(=O)(=O)c1cccs1 ZINC000002770991 506290876 /nfs/dbraw/zinc/29/08/76/506290876.db2.gz KATAIBVTRLJQER-UHFFFAOYSA-N -1 3 353.391 2.640 50 0 FFAAHM COc1cc(CN2CCSCC2)cc(I)c1[O-] ZINC000002893893 506299634 /nfs/dbraw/zinc/29/96/34/506299634.db2.gz YAECLOJCUUJRKQ-UHFFFAOYSA-N -1 3 365.236 2.554 50 0 FFAAHM CCCC[C@@H](O)CN1CCc2nc(Cc3ccccc3C)[n-]c(=O)c2C1 ZINC000004155582 506362979 /nfs/dbraw/zinc/36/29/79/506362979.db2.gz DNDLRUMQHLXPLZ-QGZVFWFLSA-N -1 3 355.482 2.578 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004812166 506395216 /nfs/dbraw/zinc/39/52/16/506395216.db2.gz IAZHVPYUXPUGMK-WBVHZDCISA-N -1 3 367.792 2.663 50 0 FFAAHM Cc1cc([O-])c(C(=O)Nc2cccc(Cl)c2)c(=O)n1C[C@H]1CCCO1 ZINC000004851079 506398967 /nfs/dbraw/zinc/39/89/67/506398967.db2.gz BKSLHWHUKJYWHP-CQSZACIVSA-N -1 3 362.813 2.947 50 0 FFAAHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccc(Br)cc1F ZINC000036714262 506413783 /nfs/dbraw/zinc/41/37/83/506413783.db2.gz YLGKDMQEYYTKEY-UHFFFAOYSA-N -1 3 353.073 2.977 50 0 FFAAHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccc(Br)cc1F ZINC000036714262 506413788 /nfs/dbraw/zinc/41/37/88/506413788.db2.gz YLGKDMQEYYTKEY-UHFFFAOYSA-N -1 3 353.073 2.977 50 0 FFAAHM Cc1cc([C@@H](C)NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c(C)s1 ZINC000040074267 506463091 /nfs/dbraw/zinc/46/30/91/506463091.db2.gz HVHGBBPWKYRMJI-LLVKDONJSA-N -1 3 357.435 2.658 50 0 FFAAHM Cc1ccc(C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)c([O-])c1 ZINC000053996518 506474318 /nfs/dbraw/zinc/47/43/18/506474318.db2.gz LYOAHZPHOOHGNR-UHFFFAOYSA-N -1 3 367.449 2.650 50 0 FFAAHM CCOc1cc(C(=O)N2NC=C[C@]2([O-])C(F)(F)F)ccc1OC(F)F ZINC000006554042 506488790 /nfs/dbraw/zinc/48/87/90/506488790.db2.gz IOPCGKAHABRNIY-ZDUSSCGKSA-N -1 3 368.258 2.769 50 0 FFAAHM CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000007688299 506581881 /nfs/dbraw/zinc/58/18/81/506581881.db2.gz BMPVRNGBDNJNRS-QMMMGPOBSA-N -1 3 372.796 2.552 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC(NC(=O)Nc3ccccc3)CC2)on1 ZINC000055032094 506662969 /nfs/dbraw/zinc/66/29/69/506662969.db2.gz JXIBMHFBTQTDHU-CQSZACIVSA-N -1 3 371.441 2.596 50 0 FFAAHM NC(=O)c1cc([C@]([O-])(c2nc3ccccc3s2)C(F)(F)F)sc1N ZINC000008941382 506674061 /nfs/dbraw/zinc/67/40/61/506674061.db2.gz IOJDQQLYCBDQPB-ZDUSSCGKSA-N -1 3 373.381 2.837 50 0 FFAAHM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3C)cc2C1 ZINC000008976905 506676202 /nfs/dbraw/zinc/67/62/02/506676202.db2.gz PHMUJHPMEHVLLD-UHFFFAOYSA-N -1 3 362.426 2.840 50 0 FFAAHM O=C(Nc1ccc(Br)cc1)c1c(=O)[nH]c2c(c1[O-])CCCC2 ZINC000009319384 506690088 /nfs/dbraw/zinc/69/00/88/506690088.db2.gz BKJQGIQCADHYGB-UHFFFAOYSA-N -1 3 363.211 2.974 50 0 FFAAHM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(-c2nnn[n-]2)c1 ZINC000009451248 506697902 /nfs/dbraw/zinc/69/79/02/506697902.db2.gz JFLNNNLVCZJVAW-UHFFFAOYSA-N -1 3 359.393 2.922 50 0 FFAAHM Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(-c2nn[n-]n2)c1 ZINC000009451248 506697906 /nfs/dbraw/zinc/69/79/06/506697906.db2.gz JFLNNNLVCZJVAW-UHFFFAOYSA-N -1 3 359.393 2.922 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009484119 506699228 /nfs/dbraw/zinc/69/92/28/506699228.db2.gz JQFHECFKVVBTSI-AWEZNQCLSA-N -1 3 372.812 2.644 50 0 FFAAHM Cc1ccnc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCCC2)c1 ZINC000010430558 506742771 /nfs/dbraw/zinc/74/27/71/506742771.db2.gz FYNUGLMXAFVZRV-UHFFFAOYSA-N -1 3 365.480 2.878 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCCc1nc2ccccc2s1 ZINC000010751236 506753442 /nfs/dbraw/zinc/75/34/42/506753442.db2.gz RNKLLMZGBDQPJS-UHFFFAOYSA-N -1 3 351.453 2.812 50 0 FFAAHM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc3n[n-]nc3c2)c(C)c1 ZINC000012603254 506884630 /nfs/dbraw/zinc/88/46/30/506884630.db2.gz BJQJHBXSAZIKQQ-UHFFFAOYSA-N -1 3 351.410 2.594 50 0 FFAAHM COc1cc(C)c(S(=O)(=O)[N-]c2ccc(-n3cc[nH]c3=O)cc2)cc1C ZINC000057119451 507176548 /nfs/dbraw/zinc/17/65/48/507176548.db2.gz ZNJGXASFRFWEDW-UHFFFAOYSA-N -1 3 373.434 2.592 50 0 FFAAHM CCc1nc2sc([C@@H](c3ccccc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855159 507315249 /nfs/dbraw/zinc/31/52/49/507315249.db2.gz GLTXWNWBTOACAL-OAHLLOKOSA-N -1 3 358.467 2.605 50 0 FFAAHM Cc1ccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c([O-])c1 ZINC000058192028 507382448 /nfs/dbraw/zinc/38/24/48/507382448.db2.gz OZCURWNLVGIWGU-ZDUSSCGKSA-N -1 3 366.464 2.554 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCc2c1cnn2C(C)(C)C ZINC000071195607 507699241 /nfs/dbraw/zinc/69/92/41/507699241.db2.gz XMMQBPSTCSFUOP-CYBMUJFWSA-N -1 3 352.460 2.599 50 0 FFAAHM Cc1c2ccccc2sc1C(=O)N1CCc2c(nc(N(C)C)[n-]c2=O)C1 ZINC000072130651 507753444 /nfs/dbraw/zinc/75/34/44/507753444.db2.gz XERUAEUDFZBGOU-UHFFFAOYSA-N -1 3 368.462 2.558 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@H]1CCCN(C2CCCCCC2)C1 ZINC000072150848 507759846 /nfs/dbraw/zinc/75/98/46/507759846.db2.gz IEUOWOVFXYNBMC-HNNXBMFYSA-N -1 3 355.504 2.757 50 0 FFAAHM Cc1noc(C)c1NC(=O)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1 ZINC000072157706 507763801 /nfs/dbraw/zinc/76/38/01/507763801.db2.gz IXSIJYYNIDJLTC-UHFFFAOYSA-N -1 3 365.393 2.632 50 0 FFAAHM CC(C)=C[C@H]1[C@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000029690262 507786565 /nfs/dbraw/zinc/78/65/65/507786565.db2.gz KBPWRLPQJOUNMY-ZWKOTPCHSA-N -1 3 356.466 2.915 50 0 FFAAHM O=C(c1ncccc1[O-])N1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000095380691 508181198 /nfs/dbraw/zinc/18/11/98/508181198.db2.gz GQLJUQQRXLWMNO-DOTOQJQBSA-N -1 3 355.413 2.663 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2cccc(Cl)c2)o1 ZINC000095474553 508188351 /nfs/dbraw/zinc/18/83/51/508188351.db2.gz YZGLKWURAUVALB-CYBMUJFWSA-N -1 3 352.770 2.840 50 0 FFAAHM Cc1ccc([O-])c(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c1 ZINC000082097051 508225329 /nfs/dbraw/zinc/22/53/29/508225329.db2.gz YLSXFPGKAVITFM-UHFFFAOYSA-N -1 3 351.406 2.740 50 0 FFAAHM COc1ccc(OC)c([C@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000077438544 508315605 /nfs/dbraw/zinc/31/56/05/508315605.db2.gz BWPSHQAKHBZZMQ-ZDUSSCGKSA-N -1 3 352.394 2.605 50 0 FFAAHM Cc1ccc(CC(=O)[N-]OCC(=O)NCCc2ccc(Cl)cc2)cc1 ZINC000156844066 508485034 /nfs/dbraw/zinc/48/50/34/508485034.db2.gz MSSOWUSODYXYGF-UHFFFAOYSA-N -1 3 360.841 2.598 50 0 FFAAHM C[C@H](Oc1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1Cl)C(=O)[O-] ZINC000215230441 509244650 /nfs/dbraw/zinc/24/46/50/509244650.db2.gz MDUNHTSBLXLEDA-NSHDSACASA-N -1 3 364.833 2.690 50 0 FFAAHM CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3cc(=O)[n-]c(C)n3)c21 ZINC000223486406 509339206 /nfs/dbraw/zinc/33/92/06/509339206.db2.gz XHZKKWACVXNZAQ-UHFFFAOYSA-N -1 3 366.421 2.527 50 0 FFAAHM C[C@H]1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)c2c([O-])cccc21 ZINC000186320656 509644887 /nfs/dbraw/zinc/64/48/87/509644887.db2.gz FVRWDENBLVVSGI-LBPRGKRZSA-N -1 3 356.426 2.753 50 0 FFAAHM CN(CCC(=O)N1CCC(C(=O)[O-])CC1)Cc1ccc(C(F)(F)F)cc1 ZINC000244690928 509863393 /nfs/dbraw/zinc/86/33/93/509863393.db2.gz IZMPHSLENZECHK-UHFFFAOYSA-N -1 3 372.387 2.851 50 0 FFAAHM Cc1ccc(CN(CCC(=O)N2CCC(C(=O)[O-])CC2)C2CC2)s1 ZINC000244816996 509871756 /nfs/dbraw/zinc/87/17/56/509871756.db2.gz SSMJLWMNWZBOMY-UHFFFAOYSA-N -1 3 350.484 2.734 50 0 FFAAHM Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000253535697 509887271 /nfs/dbraw/zinc/88/72/71/509887271.db2.gz MFESPNBZUWJUDX-BJHJDKERSA-N -1 3 354.385 2.716 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H](C)Oc1cccc(Cl)c1)CC2 ZINC000426421700 513936419 /nfs/dbraw/zinc/93/64/19/513936419.db2.gz AFMBNFFGYYSWMP-LLVKDONJSA-N -1 3 361.829 2.539 50 0 FFAAHM O=C(Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O)Nc1ccc(F)cc1 ZINC000101801046 570823605 /nfs/dbraw/zinc/82/36/05/570823605.db2.gz JFIJZXVBAPNPPV-UHFFFAOYSA-N -1 3 354.316 2.746 50 0 FFAAHM CCn1c(=O)c2ccccc2c2c([O-])nc(-c3ccc(C(=O)OC)cc3)n21 ZINC000102224243 570829406 /nfs/dbraw/zinc/82/94/06/570829406.db2.gz GKUUGGADHMZLFR-UHFFFAOYSA-N -1 3 363.373 2.828 50 0 FFAAHM Cc1ccc(-c2csc3[n-]c(CN4CCN(C)CC4)nc(=O)c23)cc1 ZINC000036203803 571149285 /nfs/dbraw/zinc/14/92/85/571149285.db2.gz NSOQORZZDVLCMB-UHFFFAOYSA-N -1 3 354.479 2.707 50 0 FFAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CCSc3ccccc3)CC2)n1 ZINC000238831530 571262328 /nfs/dbraw/zinc/26/23/28/571262328.db2.gz GAIPSSIPWGHWFV-UHFFFAOYSA-N -1 3 372.494 2.758 50 0 FFAAHM COc1cccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000179402767 979757692 /nfs/dbraw/zinc/75/76/92/979757692.db2.gz WHWDZEPWZLRNOJ-MRXNPFEDSA-N -1 3 352.394 2.660 50 0 FFAAHM O=S(=O)(CC1CCCC1)[N-]Cc1nc(-c2ccccc2Cl)no1 ZINC000825598286 999333738 /nfs/dbraw/zinc/33/37/38/999333738.db2.gz RJQSGRTTYPILMR-UHFFFAOYSA-N -1 3 355.847 3.000 50 0 FFAAHM Cc1cc(=O)[n-]c(-c2ccnc(N[C@H]3CCN(C(=O)OC(C)(C)C)C3)c2)n1 ZINC000952882102 1011006719 /nfs/dbraw/zinc/00/67/19/1011006719.db2.gz UCMPTOSAXBYPPA-AWEZNQCLSA-N -1 3 371.441 2.974 50 0 FFAAHM COc1ccc(CN2CC[C@H](O)[C@@H](C(=O)[O-])C2)cc1OCc1ccccc1 ZINC001529106398 1062163826 /nfs/dbraw/zinc/16/38/26/1062163826.db2.gz NZKKDUBEBIXALZ-ROUUACIJSA-N -1 3 371.433 2.542 50 0 FFAAHM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000000754234 210267114 /nfs/dbraw/zinc/26/71/14/210267114.db2.gz JLKKXFLIQLNLAN-QAPCUYQASA-N -1 3 352.390 2.873 50 0 biogenic,in-vitro FFAAHM Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)ccc1-n1cccc1 ZINC000023505542 210159918 /nfs/dbraw/zinc/15/99/18/210159918.db2.gz JOSOIDDVQOARRY-KRWDZBQOSA-N -1 3 362.433 2.889 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)[C@H](C)Oc1ccc(F)cc1Cl)C2 ZINC000299781059 210025628 /nfs/dbraw/zinc/02/56/28/210025628.db2.gz CYQOIZKAJXICLE-QMMMGPOBSA-N -1 3 351.765 2.593 50 0 FFAAHM COc1cccc2cc(C(=O)[N-]c3nnc(-c4cc(C)nn4C)o3)oc21 ZINC000013615018 220079483 /nfs/dbraw/zinc/07/94/83/220079483.db2.gz ZMAHBOTYIZNHKN-UHFFFAOYSA-N -1 3 353.338 2.786 50 0 FFAAHM O=S(=O)([N-]c1cccc(-c2nnc3n2CCC3)c1)c1ccc(F)cc1 ZINC000023199803 211380657 /nfs/dbraw/zinc/38/06/57/211380657.db2.gz XZNOHWNTKRJDLB-UHFFFAOYSA-N -1 3 358.398 2.831 50 0 FFAAHM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4cccnc4)CC3)c2c1 ZINC000020744782 211294940 /nfs/dbraw/zinc/29/49/40/211294940.db2.gz VRXINUZQIKYWJT-HXUWFJFHSA-N -1 3 364.449 2.815 50 0 FFAAHM C[C@@H](C(=O)NC1CCCCC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000015043568 211115285 /nfs/dbraw/zinc/11/52/85/211115285.db2.gz SBUZHXCZPXMUOQ-HNNXBMFYSA-N -1 3 373.497 2.880 50 0 FFAAHM O=C(C1=CCCCC1)N1CCC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000015075479 211118548 /nfs/dbraw/zinc/11/85/48/211118548.db2.gz IHUTWOSEEXSTBU-AWEZNQCLSA-N -1 3 368.524 2.765 50 0 FFAAHM O=S(=O)([N-][C@@H]1CCCc2nc(-c3cccnc3)ncc21)c1cccs1 ZINC000014976022 211110124 /nfs/dbraw/zinc/11/01/24/211110124.db2.gz OQPALLHVPFCFCJ-OAHLLOKOSA-N -1 3 372.475 2.956 50 0 FFAAHM CCn1cc(C[N-]S(=O)(=O)c2ccc(Br)s2)c(C)n1 ZINC000014249610 211088661 /nfs/dbraw/zinc/08/86/61/211088661.db2.gz OMVUAQCFLRTLJM-UHFFFAOYSA-N -1 3 364.290 2.514 50 0 FFAAHM COC(=O)C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)cc1 ZINC000014095351 211073059 /nfs/dbraw/zinc/07/30/59/211073059.db2.gz QUJABHZNGBJXQP-AWEZNQCLSA-N -1 3 358.785 2.646 50 0 FFAAHM COC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000013143673 211026611 /nfs/dbraw/zinc/02/66/11/211026611.db2.gz UCXXJLNIMLUELP-QMMMGPOBSA-N -1 3 364.814 2.828 50 0 FFAAHM O=S(=O)([N-]C[C@@H](O)c1ccccc1)c1ccc(-c2ccccn2)s1 ZINC000001033251 210304834 /nfs/dbraw/zinc/30/48/34/210304834.db2.gz ZXSGNRLGJHGJSM-OAHLLOKOSA-N -1 3 360.460 2.822 50 0 FFAAHM CCc1nnc(-c2csc(S(=O)(=O)[N-]CCc3ccccc3)c2)o1 ZINC000065098660 221168958 /nfs/dbraw/zinc/16/89/58/221168958.db2.gz DWMJDGRWAYNZMN-UHFFFAOYSA-N -1 3 363.464 2.882 50 0 FFAAHM O=C([O-])c1ccc(CN2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)s1 ZINC000065469864 221223187 /nfs/dbraw/zinc/22/31/87/221223187.db2.gz WELPHCMTGGZFAM-UONOGXRCSA-N -1 3 361.419 2.525 50 0 FFAAHM CCCN1CCc2nc(SCC(=O)Nc3ccccc3)[n-]c(=O)c2C1 ZINC000067291787 221251225 /nfs/dbraw/zinc/25/12/25/221251225.db2.gz BHDSLGQNEFYGMD-UHFFFAOYSA-N -1 3 358.467 2.681 50 0 FFAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000001209703 132381219 /nfs/dbraw/zinc/38/12/19/132381219.db2.gz RJPVOJHKPMJOET-UHFFFAOYSA-N -1 3 352.843 2.977 50 0 FFAAHM O=C([O-])/C=C\C(=O)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 ZINC000017194255 132884698 /nfs/dbraw/zinc/88/46/98/132884698.db2.gz GWGDCMQFAGNXPD-KHPPLWFESA-N -1 3 365.433 2.588 50 0 FFAAHM O=c1cc(-c2ccc(F)cc2)nc(N2CCN(Cc3ccccc3)CC2)[n-]1 ZINC000054274414 136125312 /nfs/dbraw/zinc/12/53/12/136125312.db2.gz XEDYKRWAZIPSCT-UHFFFAOYSA-N -1 3 364.424 2.898 50 0 FFAAHM Cc1oc(-c2ccccc2)nc1COC(=O)CNC(=O)c1cccc([O-])c1 ZINC000097165555 222166054 /nfs/dbraw/zinc/16/60/54/222166054.db2.gz ATKRVRDVFLKBNA-UHFFFAOYSA-N -1 3 366.373 2.829 50 0 FFAAHM COc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000032117688 506232294 /nfs/dbraw/zinc/23/22/94/506232294.db2.gz SOIAXOUTRDUZBI-XJKSGUPXSA-N -1 3 372.343 2.713 50 0 FFAAHM CCSc1nnc([N-]C(=O)c2nn(C)c(C)c2Br)s1 ZINC000002777983 506292111 /nfs/dbraw/zinc/29/21/11/506292111.db2.gz HVUBACLXWSPJFB-UHFFFAOYSA-N -1 3 362.278 2.707 50 0 FFAAHM COCCn1c(=O)[n-]c(=O)c2c(C(F)(F)F)cc(-c3cccs3)nc21 ZINC000003264333 506316416 /nfs/dbraw/zinc/31/64/16/506316416.db2.gz WGZJEWUMLXCHFA-UHFFFAOYSA-N -1 3 371.340 2.891 50 0 FFAAHM O=C(c1ccccc1)[C@H](Sc1nnc(-c2ccco2)[n-]1)n1cncn1 ZINC000033711490 506361409 /nfs/dbraw/zinc/36/14/09/506361409.db2.gz JJRKWNSFJKWUGX-HNNXBMFYSA-N -1 3 352.379 2.830 50 0 FFAAHM O=C(c1ccccc1)[C@H](Sc1nc(-c2ccco2)n[n-]1)n1cncn1 ZINC000033711490 506361414 /nfs/dbraw/zinc/36/14/14/506361414.db2.gz JJRKWNSFJKWUGX-HNNXBMFYSA-N -1 3 352.379 2.830 50 0 FFAAHM O=C(c1ccccc1)[C@H](Sc1n[n-]c(-c2ccco2)n1)n1cncn1 ZINC000033711490 506361417 /nfs/dbraw/zinc/36/14/17/506361417.db2.gz JJRKWNSFJKWUGX-HNNXBMFYSA-N -1 3 352.379 2.830 50 0 FFAAHM Cc1ccc(S(=O)(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000004199236 506363851 /nfs/dbraw/zinc/36/38/51/506363851.db2.gz FZNXBYJDVXYNJA-OCCSQVGLSA-N -1 3 362.373 2.796 50 0 FFAAHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)NCc1ccccc1 ZINC000004328723 506371505 /nfs/dbraw/zinc/37/15/05/506371505.db2.gz RYRXBCQQZCSQAR-UHFFFAOYSA-N -1 3 374.447 2.792 50 0 FFAAHM CCCCOCCCNC(=O)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000004672023 506386766 /nfs/dbraw/zinc/38/67/66/506386766.db2.gz YQODGFOVYBOSTB-IBGZPJMESA-N -1 3 370.449 2.595 50 0 FFAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cc2c3c(c1)CCC(=O)N3CC2 ZINC000005153429 506425454 /nfs/dbraw/zinc/42/54/54/506425454.db2.gz DFZKHFUHXGBHRE-UHFFFAOYSA-N -1 3 360.410 2.770 50 0 FFAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccs1)c1ccccc1Cl ZINC000005660287 506453110 /nfs/dbraw/zinc/45/31/10/506453110.db2.gz KBAUDKOVCUNTTN-GFCCVEGCSA-N -1 3 359.856 2.984 50 0 FFAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCCCOc2ccc(F)cc2)c1 ZINC000005881868 506459341 /nfs/dbraw/zinc/45/93/41/506459341.db2.gz UEYHGPNBMRSYDQ-UHFFFAOYSA-N -1 3 367.398 2.823 50 0 FFAAHM CC(C)(C(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000040117754 506470426 /nfs/dbraw/zinc/47/04/26/506470426.db2.gz YUKOOLWMGZQQLX-FQEVSTJZSA-N -1 3 351.406 2.658 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)cc21 ZINC000006832799 506510480 /nfs/dbraw/zinc/51/04/80/506510480.db2.gz HMSUDKPEIOQLBM-UHFFFAOYSA-N -1 3 364.398 2.680 50 0 FFAAHM CCc1oc(C(=O)Nc2ccccc2-c2nnn[n-]2)cc1CN1CCCC1 ZINC000055120516 506683990 /nfs/dbraw/zinc/68/39/90/506683990.db2.gz DWFSSFPFHLIHHJ-UHFFFAOYSA-N -1 3 366.425 2.870 50 0 FFAAHM CCc1oc(C(=O)Nc2ccccc2-c2nn[n-]n2)cc1CN1CCCC1 ZINC000055120516 506683993 /nfs/dbraw/zinc/68/39/93/506683993.db2.gz DWFSSFPFHLIHHJ-UHFFFAOYSA-N -1 3 366.425 2.870 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCc2ccccc2OC(F)(F)F)c(=O)[n-]1 ZINC000009500495 506700174 /nfs/dbraw/zinc/70/01/74/506700174.db2.gz JGPTXVUGWMVIEV-UHFFFAOYSA-N -1 3 369.343 2.534 50 0 FFAAHM CCc1cc2c(CSc3nc4ncccn4n3)cc(=O)oc2cc1[O-] ZINC000010074183 506725269 /nfs/dbraw/zinc/72/52/69/506725269.db2.gz KFKAOWAQEKVRRO-UHFFFAOYSA-N -1 3 354.391 2.791 50 0 FFAAHM Cc1cc(=O)oc(C)c1C(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12 ZINC000012783316 506902338 /nfs/dbraw/zinc/90/23/38/506902338.db2.gz AXUCVHCNILSTPR-UHFFFAOYSA-N -1 3 356.330 2.734 50 0 FFAAHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(Cl)cc2)c1 ZINC000057784019 507327922 /nfs/dbraw/zinc/32/79/22/507327922.db2.gz KFUYTGCOEHNCII-UHFFFAOYSA-N -1 3 367.793 2.564 50 0 FFAAHM CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032990 507438618 /nfs/dbraw/zinc/43/86/18/507438618.db2.gz ANMWQVHKLNAGGH-QGZVFWFLSA-N -1 3 374.387 2.934 50 0 FFAAHM COc1ccc2nc([N-]C(=O)c3c(C)oc4ncn(C)c(=O)c43)sc2c1 ZINC000028838683 507746295 /nfs/dbraw/zinc/74/62/95/507746295.db2.gz JRBUIPPJFYQXDX-UHFFFAOYSA-N -1 3 370.390 2.706 50 0 FFAAHM Cc1cc(CN2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)oc1C ZINC000072420234 507787179 /nfs/dbraw/zinc/78/71/79/507787179.db2.gz LHKNVLMRZFPUKU-KRWDZBQOSA-N -1 3 360.454 2.574 50 0 FFAAHM Cc1cc2nc(-c3ccccc3)cc(NCCc3nc(C)cc(=O)[n-]3)n2n1 ZINC000072447194 507792194 /nfs/dbraw/zinc/79/21/94/507792194.db2.gz GJCKCSONERFVDA-UHFFFAOYSA-N -1 3 360.421 2.751 50 0 FFAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@@H](c1ccc[nH]c1=O)SCC(=O)N2 ZINC000095474564 508188561 /nfs/dbraw/zinc/18/85/61/508188561.db2.gz NFHWLMSNECOICK-CQSZACIVSA-N -1 3 360.439 2.794 50 0 FFAAHM O=C(Nc1cc(Cl)ccc1[O-])[C@@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095479069 508188936 /nfs/dbraw/zinc/18/89/36/508188936.db2.gz ONYJLIOXWMCPRA-SNVBAGLBSA-N -1 3 370.796 2.914 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2c(F)cccc2Cl)o1 ZINC000095480686 508188945 /nfs/dbraw/zinc/18/89/45/508188945.db2.gz BUBKCQSCPJXDFR-SNVBAGLBSA-N -1 3 370.760 2.979 50 0 FFAAHM COc1cc(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)ccc1[O-] ZINC000095964953 508199830 /nfs/dbraw/zinc/19/98/30/508199830.db2.gz SQKDTLMZAKBIJI-UHFFFAOYSA-N -1 3 355.369 2.964 50 0 FFAAHM Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000082147620 508226908 /nfs/dbraw/zinc/22/69/08/508226908.db2.gz SCPQXRZAPJXACB-OAHLLOKOSA-N -1 3 364.449 2.817 50 0 FFAAHM O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000077394084 508310914 /nfs/dbraw/zinc/31/09/14/508310914.db2.gz SWBSWCLDPSMNTD-NSHDSACASA-N -1 3 356.813 2.924 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)on1 ZINC000248424595 509312725 /nfs/dbraw/zinc/31/27/25/509312725.db2.gz NOFFUKZXGBJVCS-VXGBXAGGSA-N -1 3 371.363 2.862 50 0 FFAAHM C[C@@H](SCc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)NC1CCCCC1 ZINC000170620295 509683522 /nfs/dbraw/zinc/68/35/22/509683522.db2.gz SVIGJABVFBNOMO-SECBINFHSA-N -1 3 363.405 2.859 50 0 FFAAHM O=C([O-])C1CCC(NC(=O)[C@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000238013665 509799256 /nfs/dbraw/zinc/79/92/56/509799256.db2.gz PUCCLOKNBXLVAI-PQUAAJSLSA-N -1 3 362.445 2.797 50 0 FFAAHM O=C(CC1(n2cccc2)CCOCC1)Nc1n[n-]c(-c2cccs2)n1 ZINC000409413752 513102508 /nfs/dbraw/zinc/10/25/08/513102508.db2.gz LJCHOGOSCBOFOM-UHFFFAOYSA-N -1 3 357.439 2.869 50 0 FFAAHM COCc1cc(CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)ccc1OC ZINC000426563114 513981230 /nfs/dbraw/zinc/98/12/30/513981230.db2.gz CFPPWNFKKFNXBK-INIZCTEOSA-N -1 3 373.453 2.502 50 0 FFAAHM O=C(CCCn1cccc1)Nc1n[n-]c([C@@H]2COc3ccccc3O2)n1 ZINC000524735447 516807910 /nfs/dbraw/zinc/80/79/10/516807910.db2.gz CTSYSMVRUAZGMI-HNNXBMFYSA-N -1 3 353.382 2.538 50 0 FFAAHM Cc1nc([C@@H](C)N(C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c(C)s1 ZINC000534655109 517984853 /nfs/dbraw/zinc/98/48/53/517984853.db2.gz DCHNOVMAJWNWKR-SNVBAGLBSA-N -1 3 371.470 2.843 50 0 FFAAHM Cc1nc([C@@H](C)N(C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c(C)s1 ZINC000534655109 517984862 /nfs/dbraw/zinc/98/48/62/517984862.db2.gz DCHNOVMAJWNWKR-SNVBAGLBSA-N -1 3 371.470 2.843 50 0 FFAAHM Cn1c(=O)[n-]c(=O)c2nc3cc(-c4ccc(Br)cc4)oc3nc21 ZINC000585152530 518549074 /nfs/dbraw/zinc/54/90/74/518549074.db2.gz YBHHCHVYGKTFDZ-UHFFFAOYSA-N -1 3 373.166 2.605 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](O)c1ccc(-c2ccco2)cc1 ZINC000618255856 520966806 /nfs/dbraw/zinc/96/68/06/520966806.db2.gz KCKHHSUJKRVTRK-HNNXBMFYSA-N -1 3 362.407 2.563 50 0 FFAAHM Cc1cccc(N2C[C@H](C)N(C(=O)Cc3ccc([O-])c(F)c3)CC2=O)c1 ZINC000082108566 524567482 /nfs/dbraw/zinc/56/74/82/524567482.db2.gz VSCRHUWYVKYAMF-AWEZNQCLSA-N -1 3 356.397 2.646 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(CCc2ccccn2)CC1 ZINC000020713966 526315294 /nfs/dbraw/zinc/31/52/94/526315294.db2.gz YXFLCOZFVUKTKU-FQEVSTJZSA-N -1 3 364.449 2.549 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000046073936 570923767 /nfs/dbraw/zinc/92/37/67/570923767.db2.gz VXRWUUJFMYXYTK-LBPRGKRZSA-N -1 3 372.450 2.563 50 0 FFAAHM CCOC(=O)CCc1c(C(=O)OCC)[n-]c(C)c1C(=O)OC(C)(C)C ZINC000000638957 210254697 /nfs/dbraw/zinc/25/46/97/210254697.db2.gz WPIBHMKNVDQOOT-UHFFFAOYSA-N -1 3 353.415 2.951 50 0 FFAAHM Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000023251140 210158581 /nfs/dbraw/zinc/15/85/81/210158581.db2.gz SVMVHGROOBCUSF-ZDUSSCGKSA-N -1 3 368.412 2.647 50 0 FFAAHM Cc1nc(C2CCN(C(=O)Nc3ccc4c(c3)OCO4)CC2)cc(=O)[n-]1 ZINC000299796494 210037661 /nfs/dbraw/zinc/03/76/61/210037661.db2.gz NSWJXQCJRFBAAR-UHFFFAOYSA-N -1 3 356.382 2.631 50 0 FFAAHM Cc1cc(C)cc(CSc2ncc(CN3CCN(C)CC3)c(=O)[n-]2)c1 ZINC000043804361 211792988 /nfs/dbraw/zinc/79/29/88/211792988.db2.gz TUVRBSWTVQDZNN-UHFFFAOYSA-N -1 3 358.511 2.839 50 0 FFAAHM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)ccc1OC ZINC000016650670 220189598 /nfs/dbraw/zinc/18/95/98/220189598.db2.gz VWNGTEUCEMDFBJ-UHFFFAOYSA-N -1 3 362.451 2.944 50 0 FFAAHM O=S(=O)([N-]CC1(c2ccc(F)cc2)CCOCC1)c1cccs1 ZINC000016973830 220199259 /nfs/dbraw/zinc/19/92/59/220199259.db2.gz SPHUWNOVAYINNN-UHFFFAOYSA-N -1 3 355.456 2.914 50 0 FFAAHM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)CC1 ZINC000033274643 211596032 /nfs/dbraw/zinc/59/60/32/211596032.db2.gz DAHXISUFNBVBBH-UHFFFAOYSA-N -1 3 358.463 2.964 50 0 FFAAHM Cc1ccc(Sc2cc(NCc3cc(=O)[n-]c(C)n3)nc(N)n2)cc1 ZINC000023429756 211389059 /nfs/dbraw/zinc/38/90/59/211389059.db2.gz ACQUCBJAVVLTEH-UHFFFAOYSA-N -1 3 354.439 2.522 50 0 FFAAHM O=C(c1ccc(S(=O)(=O)[N-]Cc2ccc(F)cc2)s1)N1CCCC1 ZINC000021028487 211303383 /nfs/dbraw/zinc/30/33/83/211303383.db2.gz VNZPCRREAMGIHY-UHFFFAOYSA-N -1 3 368.455 2.602 50 0 FFAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4ccccn4)CC3)c2c1 ZINC000020719799 211293895 /nfs/dbraw/zinc/29/38/95/211293895.db2.gz VVGVFPNNCDGOJW-FQEVSTJZSA-N -1 3 364.449 2.815 50 0 FFAAHM Cc1cc(NC(=O)[C@H](C)Sc2nc3nc(C)cc(C)c3c(=O)[n-]2)no1 ZINC000014159792 211079245 /nfs/dbraw/zinc/07/92/45/211079245.db2.gz MJMQJAJMTHFAEO-JTQLQIEISA-N -1 3 359.411 2.763 50 0 FFAAHM O=C([N-]c1nnc([C@@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccco1 ZINC000012862557 211000937 /nfs/dbraw/zinc/00/09/37/211000937.db2.gz UZEAWYGOGFCJCX-LLVKDONJSA-N -1 3 354.391 2.904 50 0 FFAAHM CCOC(=O)N[C@]([N-]c1ccc(F)cc1)(C(=O)OCC)C(F)(F)F ZINC000002306240 210389936 /nfs/dbraw/zinc/38/99/36/210389936.db2.gz CCSFRRAOBXPBPN-CYBMUJFWSA-N -1 3 352.284 2.805 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)c(C)c1 ZINC000064976546 221159857 /nfs/dbraw/zinc/15/98/57/221159857.db2.gz DXVWPAYLUDLRNT-UHFFFAOYSA-N -1 3 359.451 2.603 50 0 FFAAHM CC[C@H](Nc1cccc(OC)c1)C(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000065456763 221222323 /nfs/dbraw/zinc/22/23/23/221222323.db2.gz RVPWKBHIGXSVBA-HNNXBMFYSA-N -1 3 352.398 2.705 50 0 FFAAHM CC[C@H](Nc1cccc(OC)c1)C(=O)Nc1ccccc1-c1nn[n-]n1 ZINC000065456763 221222324 /nfs/dbraw/zinc/22/23/24/221222324.db2.gz RVPWKBHIGXSVBA-HNNXBMFYSA-N -1 3 352.398 2.705 50 0 FFAAHM O=C(NCc1cccnc1Oc1ccccc1F)c1cc(=O)c([O-])co1 ZINC000067725277 221278141 /nfs/dbraw/zinc/27/81/41/221278141.db2.gz NRBGYIZHLAAXJU-UHFFFAOYSA-N -1 3 356.309 2.602 50 0 FFAAHM O=C([O-])c1n[nH]cc1CN1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000067676734 221271187 /nfs/dbraw/zinc/27/11/87/221271187.db2.gz DEQOKWPMNUMKND-OAHLLOKOSA-N -1 3 365.437 2.801 50 0 FFAAHM COc1ccc2cc([C@@H]3CC(=O)Nc4c3c(=O)[n-]n4C(C)C)c(=O)[nH]c2c1 ZINC000071279545 221337456 /nfs/dbraw/zinc/33/74/56/221337456.db2.gz DKRYAWDOUGCXPI-LBPRGKRZSA-N -1 3 368.393 2.731 50 0 FFAAHM O=C(c1c[nH]c(=O)cc1[O-])N1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000071404246 221346174 /nfs/dbraw/zinc/34/61/74/221346174.db2.gz IWMWJRODQVLMRS-LBPRGKRZSA-N -1 3 362.376 2.844 50 0 FFAAHM C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331568340 258191287 /nfs/dbraw/zinc/19/12/87/258191287.db2.gz PQHQRYNTCZNGLV-KDOFPFPSSA-N -1 3 374.462 2.660 50 0 FFAAHM CCOc1ccccc1[C@@H](C(=O)[O-])N1CCCN(Cc2cccnc2)CC1 ZINC000095382375 221886955 /nfs/dbraw/zinc/88/69/55/221886955.db2.gz GJUMESUUPPBLAU-FQEVSTJZSA-N -1 3 369.465 2.814 50 0 FFAAHM O=C(NCCCc1nc2ccccc2[nH]1)c1c[n-]c2ccc(F)cc2c1=O ZINC000096232733 222093268 /nfs/dbraw/zinc/09/32/68/222093268.db2.gz HPNVQIJPNDLJRG-UHFFFAOYSA-N -1 3 364.380 2.906 50 0 FFAAHM CCN1CCCn2cc(S(=O)(=O)[N-]c3ccc(C)cc3F)cc2C1=O ZINC000065258807 506277376 /nfs/dbraw/zinc/27/73/76/506277376.db2.gz PZDKLSHFPBAODL-UHFFFAOYSA-N -1 3 365.430 2.602 50 0 FFAAHM CCC(=O)N[C@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002706961 506288050 /nfs/dbraw/zinc/28/80/50/506288050.db2.gz XGTQVHHDIFJERF-SNVBAGLBSA-N -1 3 370.689 2.901 50 0 FFAAHM CCOC(=O)N(CC)c1ccc([C@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002900763 506300063 /nfs/dbraw/zinc/30/00/63/506300063.db2.gz WEKRDEAIVQJPIK-HNNXBMFYSA-N -1 3 363.332 2.982 50 0 FFAAHM Cc1cc(C)n(CCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)n1 ZINC000033327069 506354444 /nfs/dbraw/zinc/35/44/44/506354444.db2.gz AQMLAMLEWFLTQP-IUODEOHRSA-N -1 3 358.364 2.529 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccccc2Br)N1 ZINC000004576216 506383712 /nfs/dbraw/zinc/38/37/12/506383712.db2.gz OERHCRRBSDEFGF-NSHDSACASA-N -1 3 351.122 2.922 50 0 FFAAHM N[C@@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000004899601 506404188 /nfs/dbraw/zinc/40/41/88/506404188.db2.gz BRRPJQYCERAMFI-FQEVSTJZSA-N -1 3 374.440 2.897 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)c(C)c1 ZINC000005153595 506426321 /nfs/dbraw/zinc/42/63/21/506426321.db2.gz JQOHBJUHGUHRFO-UHFFFAOYSA-N -1 3 356.447 2.940 50 0 FFAAHM CCOC(=O)CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000005927980 506460611 /nfs/dbraw/zinc/46/06/11/506460611.db2.gz CXZNTOABQNISSB-UHFFFAOYSA-N -1 3 364.814 2.830 50 0 FFAAHM CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000005927781 506460912 /nfs/dbraw/zinc/46/09/12/506460912.db2.gz PZJAUVNEBSVDCW-UHFFFAOYSA-N -1 3 358.423 2.543 50 0 FFAAHM COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000006170645 506469378 /nfs/dbraw/zinc/46/93/78/506469378.db2.gz MXDJODZNQGUNRS-GDBMZVCRSA-N -1 3 374.755 2.780 50 0 FFAAHM Cc1nn([C@@H](C)C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)c(C)c1Cl ZINC000006526566 506486011 /nfs/dbraw/zinc/48/60/11/506486011.db2.gz BQLZOIDOZHVFDT-JOYOIKCWSA-N -1 3 352.744 2.573 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(F)ccc2C)ccc1Cl ZINC000006510022 506486164 /nfs/dbraw/zinc/48/61/64/506486164.db2.gz JJYRNMWWVWYJLI-UHFFFAOYSA-N -1 3 356.806 2.948 50 0 FFAAHM COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[O-])n2C)cc1 ZINC000006701722 506498498 /nfs/dbraw/zinc/49/84/98/506498498.db2.gz GKRBPEFRSYDTIY-UHFFFAOYSA-N -1 3 370.434 2.927 50 0 FFAAHM CCCCOc1ccc([C@H]2CC(=O)Nc3nc(C)[n-]c(=O)c32)cc1OC ZINC000008927519 506672691 /nfs/dbraw/zinc/67/26/91/506672691.db2.gz HBCJPDRGGYLKGC-CYBMUJFWSA-N -1 3 357.410 2.740 50 0 FFAAHM CS(=O)(=O)c1nnc([N-]C(=O)c2ccc(Cl)cc2Cl)s1 ZINC000009306558 506690137 /nfs/dbraw/zinc/69/01/37/506690137.db2.gz OWVHBKKTFNTFCB-UHFFFAOYSA-N -1 3 352.224 2.501 50 0 FFAAHM CC(C)(C)c1cc([N-]C(=O)Cn2nc(-c3ccc(F)cc3)oc2=O)on1 ZINC000010423253 506742494 /nfs/dbraw/zinc/74/24/94/506742494.db2.gz TXHIMDGRRYOMNU-UHFFFAOYSA-N -1 3 360.345 2.567 50 0 FFAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1cc(F)cc(F)c1 ZINC000010959446 506760292 /nfs/dbraw/zinc/76/02/92/506760292.db2.gz GYHBISIFPOLDHE-UHFFFAOYSA-N -1 3 363.389 2.688 50 0 FFAAHM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc2n[n-]nc2c1 ZINC000012762331 506898689 /nfs/dbraw/zinc/89/86/89/506898689.db2.gz QVSOQZDSWSXAHN-UHFFFAOYSA-N -1 3 360.421 2.750 50 0 FFAAHM COCc1nnc([N-]C(=O)c2csc(NCc3ccco3)n2)s1 ZINC000044891785 506899118 /nfs/dbraw/zinc/89/91/18/506899118.db2.gz GZKCYFNNCWAKPL-UHFFFAOYSA-N -1 3 351.413 2.598 50 0 FFAAHM C[C@H](C(=O)N1CCCCCC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012795346 506903890 /nfs/dbraw/zinc/90/38/90/506903890.db2.gz SYVLELVFGGBSHX-MRXNPFEDSA-N -1 3 373.497 2.834 50 0 FFAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(N2CCCCC2)n1 ZINC000022607775 507299201 /nfs/dbraw/zinc/29/92/01/507299201.db2.gz WTXCOHCTDFMRNU-UHFFFAOYSA-N -1 3 354.458 2.516 50 0 FFAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)CSC(F)(F)F)cc1OC ZINC000058210853 507386439 /nfs/dbraw/zinc/38/64/39/507386439.db2.gz ADIKWEHREFJINK-UHFFFAOYSA-N -1 3 372.390 2.648 50 0 FFAAHM CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048032987 507438680 /nfs/dbraw/zinc/43/86/80/507438680.db2.gz ANMWQVHKLNAGGH-KRWDZBQOSA-N -1 3 374.387 2.934 50 0 FFAAHM CC(C)c1csc([N-]C(=O)c2ccc(S(=O)(=O)N3CCCC3)o2)n1 ZINC000024912856 507447773 /nfs/dbraw/zinc/44/77/73/507447773.db2.gz PQAONRRIUNUMLE-UHFFFAOYSA-N -1 3 369.468 2.896 50 0 FFAAHM COc1cc(C(=O)Nc2ccc(F)c([N-]S(C)(=O)=O)c2)ccc1C ZINC000024969630 507452259 /nfs/dbraw/zinc/45/22/59/507452259.db2.gz FMWULBUJAMWBPK-UHFFFAOYSA-N -1 3 352.387 2.767 50 0 FFAAHM Cc1nc(C)c(CC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c(=O)[n-]1 ZINC000031278114 507818837 /nfs/dbraw/zinc/81/88/37/507818837.db2.gz FZIILRLAODSJTK-OAHLLOKOSA-N -1 3 368.462 2.903 50 0 FFAAHM C[C@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C/C=C/c1ccccc1)CC2 ZINC000091526373 507991387 /nfs/dbraw/zinc/99/13/87/507991387.db2.gz CWXMDGBBTPNGCE-ZGRWHYIRSA-N -1 3 356.466 2.878 50 0 FFAAHM COCCn1c(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc2ccccc21 ZINC000079700698 507993166 /nfs/dbraw/zinc/99/31/66/507993166.db2.gz DIQKNXWYWQHYBM-UHFFFAOYSA-N -1 3 353.304 2.677 50 0 FFAAHM COCCn1c(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc2ccccc21 ZINC000079700698 507993168 /nfs/dbraw/zinc/99/31/68/507993168.db2.gz DIQKNXWYWQHYBM-UHFFFAOYSA-N -1 3 353.304 2.677 50 0 FFAAHM Cc1nc(C2CCN(C(=O)[C@H]3CCc4ccccc4C3)CC2)cc(=O)[n-]1 ZINC000091935249 508025820 /nfs/dbraw/zinc/02/58/20/508025820.db2.gz QRDJYZYAUZHFOQ-SFHVURJKSA-N -1 3 351.450 2.589 50 0 FFAAHM Cc1ccccc1[C@@H]1CN(CC(=O)N(C)C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000092081025 508041801 /nfs/dbraw/zinc/04/18/01/508041801.db2.gz YXVHUTSKHUYTLZ-RBUKOAKNSA-N -1 3 358.482 2.886 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)cc(=O)[n-]1 ZINC000095362157 508175979 /nfs/dbraw/zinc/17/59/79/508175979.db2.gz NHDDYLPPEOGIRD-HNNXBMFYSA-N -1 3 369.469 2.869 50 0 FFAAHM CCOc1ccccc1[C@H](C(=O)[O-])N1CCC(O)(c2cccnc2)CC1 ZINC000095365971 508177693 /nfs/dbraw/zinc/17/76/93/508177693.db2.gz HMBCIBVCIHZYJH-GOSISDBHSA-N -1 3 356.422 2.590 50 0 FFAAHM COCCn1ccc2ccc(C(=O)Nc3n[n-]c([C@H]4CCCO4)n3)cc21 ZINC000095480664 508188973 /nfs/dbraw/zinc/18/89/73/508188973.db2.gz RPHVNWQTOJYWLE-OAHLLOKOSA-N -1 3 355.398 2.510 50 0 FFAAHM Cc1cc(COc2ccccc2)oc1C(=O)NCc1cc(=O)[n-]c(C)n1 ZINC000220038548 509296893 /nfs/dbraw/zinc/29/68/93/509296893.db2.gz FTZPCDXXZYKYBQ-UHFFFAOYSA-N -1 3 353.378 2.901 50 0 FFAAHM O=C1CCC([O-])=C1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000226757498 509404304 /nfs/dbraw/zinc/40/43/04/509404304.db2.gz LKYNREAWJBFEMW-UHFFFAOYSA-N -1 3 362.473 2.942 50 0 FFAAHM CC(C)c1n[nH]c2c1CN(CCC(=O)Nc1ccsc1C(=O)[O-])CC2 ZINC000243901236 509856920 /nfs/dbraw/zinc/85/69/20/509856920.db2.gz BADQZAFLZVZJDA-UHFFFAOYSA-N -1 3 362.455 2.680 50 0 FFAAHM CC(C)c1[nH]nc2c1CN(CCC(=O)Nc1ccsc1C(=O)[O-])CC2 ZINC000243901236 509856925 /nfs/dbraw/zinc/85/69/25/509856925.db2.gz BADQZAFLZVZJDA-UHFFFAOYSA-N -1 3 362.455 2.680 50 0 FFAAHM Cc1nc([C@H]2C[C@H](NC(=O)c3ccccc3N3CCCC3)C2)cc(=O)[n-]1 ZINC000253535249 509886353 /nfs/dbraw/zinc/88/63/53/509886353.db2.gz MEVIEWYGHPCLEA-SHTZXODSSA-N -1 3 352.438 2.767 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N2CC[C@H](C(F)(F)F)C(C)(C)C2)c(=O)[n-]1 ZINC000190683877 510284227 /nfs/dbraw/zinc/28/42/27/510284227.db2.gz YCILPYSKEBQGKR-ZDUSSCGKSA-N -1 3 359.392 2.756 50 0 FFAAHM Cc1ccc(NC(=O)N2CCc3nc(C)[n-]c(=O)c3CC2)c2cccnc12 ZINC000426415297 513934725 /nfs/dbraw/zinc/93/47/25/513934725.db2.gz HUKKGGLZXARESI-UHFFFAOYSA-N -1 3 363.421 2.980 50 0 FFAAHM O=C([O-])Cn1nccc1[C@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000426535917 513972126 /nfs/dbraw/zinc/97/21/26/513972126.db2.gz QXZAAUXHJXSBOQ-KRWDZBQOSA-N -1 3 365.437 2.533 50 0 FFAAHM Cc1ccc2[nH]c(CCCNC(=O)c3cnc(C4CC4)[n-]c3=O)nc2c1C ZINC000426668287 514010877 /nfs/dbraw/zinc/01/08/77/514010877.db2.gz JEVRVOJMJZVYRN-UHFFFAOYSA-N -1 3 365.437 2.915 50 0 FFAAHM Cc1ccc2nc(CCCNC(=O)c3cnc(C4CC4)[n-]c3=O)[nH]c2c1C ZINC000426668287 514010886 /nfs/dbraw/zinc/01/08/86/514010886.db2.gz JEVRVOJMJZVYRN-UHFFFAOYSA-N -1 3 365.437 2.915 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2 ZINC000426677898 514013446 /nfs/dbraw/zinc/01/34/46/514013446.db2.gz FUTQXJNNXKLNQW-UHFFFAOYSA-N -1 3 358.829 2.900 50 0 FFAAHM COc1ccc(/C=C/CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)cc1 ZINC000426727301 514025056 /nfs/dbraw/zinc/02/50/56/514025056.db2.gz BLWMLUGFIVZYRZ-WVMJFEGXSA-N -1 3 355.438 2.869 50 0 FFAAHM O=C(CSc1nnc(-c2cccs2)o1)[N-]C(=O)c1cccs1 ZINC000012749280 518198885 /nfs/dbraw/zinc/19/88/85/518198885.db2.gz VLFDNOVZYKBAHJ-UHFFFAOYSA-N -1 3 351.434 2.908 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)cc(=O)[n-]1 ZINC000082098955 527076716 /nfs/dbraw/zinc/07/67/16/527076716.db2.gz GDWXDRHSOBKNAZ-INIZCTEOSA-N -1 3 355.438 2.885 50 0 FFAAHM COc1cccc(-c2nc3ccccc3c(N3CCN(C)CC3)n2)c1[O-] ZINC000001239394 537069962 /nfs/dbraw/zinc/06/99/62/537069962.db2.gz MTAUNVGSPWPEJS-UHFFFAOYSA-N -1 3 350.422 2.763 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)C=Cc3ccccc3F)c2)NC(=O)[N-]C1=O ZINC000047299018 570885176 /nfs/dbraw/zinc/88/51/76/570885176.db2.gz UVJQMDYAYDKMBX-VJIACCKLSA-N -1 3 353.353 2.532 50 0 FFAAHM COC(=O)C(=C([O-])CC[C@H]1Cc2ccccc2NC1=O)c1nc(C)cs1 ZINC000048310798 570943648 /nfs/dbraw/zinc/94/36/48/570943648.db2.gz XJXZGMVTWKOCPF-XJKSGUPXSA-N -1 3 372.446 2.868 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@@H](C)c2cccc(C)c2)ccc1F ZINC000084190059 728418359 /nfs/dbraw/zinc/41/83/59/728418359.db2.gz USGCKPRLYVESRJ-CYBMUJFWSA-N -1 3 364.442 2.576 50 0 FFAAHM CCc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1C(=O)NCc1ccccc1 ZINC000675011672 971486786 /nfs/dbraw/zinc/48/67/86/971486786.db2.gz VSUDXQDDBGXDGD-CABCVRRESA-N -1 3 352.438 2.586 50 0 FFAAHM O=C([O-])[C@@H]1CC(=O)NC12CCN(Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000095384529 1028569188 /nfs/dbraw/zinc/56/91/88/1028569188.db2.gz FILCYKHSCDEMFG-HNNXBMFYSA-N -1 3 372.396 2.641 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)N[C@@H](C)c2nc(-c3ccc(F)cc3)no2)on1 ZINC000058341558 212004614 /nfs/dbraw/zinc/00/46/14/212004614.db2.gz WYEWSLQRSWWXRA-MNOVXSKESA-N -1 3 359.361 2.850 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)N[C@H](C)c2nc(-c3ccc(F)cc3)no2)on1 ZINC000058341560 212004268 /nfs/dbraw/zinc/00/42/68/212004268.db2.gz WYEWSLQRSWWXRA-GHMZBOCLSA-N -1 3 359.361 2.850 50 0 FFAAHM O=C(c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)N1CCC1 ZINC000013011813 220053851 /nfs/dbraw/zinc/05/38/51/220053851.db2.gz OSAZKBKWBXKTHK-UHFFFAOYSA-N -1 3 350.827 2.987 50 0 FFAAHM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013320386 220063792 /nfs/dbraw/zinc/06/37/92/220063792.db2.gz RWTFGPBWNHEDSV-TZJYRCSTSA-N -1 3 370.493 2.904 50 0 FFAAHM CC1(C)C[C@]1(C(=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1)c1cccs1 ZINC000023340353 211385025 /nfs/dbraw/zinc/38/50/25/211385025.db2.gz ZYTIXROYPLTAIW-BFUOFWGJSA-N -1 3 357.479 2.905 50 0 FFAAHM O=C1[C@H]2C(c3cccnc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000018211685 211196024 /nfs/dbraw/zinc/19/60/24/211196024.db2.gz SPMGQJALCBNZAT-JSGCOSHPSA-N -1 3 362.172 2.681 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCc2ccccc2OC(F)F)cc1 ZINC000010393938 210370398 /nfs/dbraw/zinc/37/03/98/210370398.db2.gz FMJJJGHHGXXEDL-UHFFFAOYSA-N -1 3 370.377 2.590 50 0 FFAAHM Cc1ccc(NC(=O)CNC(=O)c2ccccc2Br)c([O-])c1 ZINC000009834992 210341062 /nfs/dbraw/zinc/34/10/62/210341062.db2.gz HCPTYGGEMJPUEM-UHFFFAOYSA-N -1 3 363.211 2.832 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)n(C)c(=O)n3C)cc1C ZINC000064976528 221159199 /nfs/dbraw/zinc/15/91/99/221159199.db2.gz ZPDRMGKDQGASSA-UHFFFAOYSA-N -1 3 359.451 2.603 50 0 FFAAHM O=C(C1CC1)N1CCc2sc(S(=O)(=O)[N-]C3CCCCC3)cc2C1 ZINC000065196213 221178487 /nfs/dbraw/zinc/17/84/87/221178487.db2.gz SFHJVJXZTKGKHC-UHFFFAOYSA-N -1 3 368.524 2.654 50 0 FFAAHM CN(Cc1cccc(-c2nnn[n-]2)c1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000067867728 221296635 /nfs/dbraw/zinc/29/66/35/221296635.db2.gz UMZRZLQCWUHNDJ-UHFFFAOYSA-N -1 3 359.393 2.529 50 0 FFAAHM CN(Cc1cccc(-c2nn[n-]n2)c1)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000067867728 221296637 /nfs/dbraw/zinc/29/66/37/221296637.db2.gz UMZRZLQCWUHNDJ-UHFFFAOYSA-N -1 3 359.393 2.529 50 0 FFAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(Cl)s3)CC2)n1 ZINC000253537265 132294417 /nfs/dbraw/zinc/29/44/17/132294417.db2.gz IDEQMEXGBQVHKQ-UHFFFAOYSA-N -1 3 352.847 2.604 50 0 FFAAHM CO[C@H]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000096122366 222034625 /nfs/dbraw/zinc/03/46/25/222034625.db2.gz NABVXESFMVQXKV-AWEZNQCLSA-N -1 3 368.405 2.991 50 0 FFAAHM CCCCc1nc(-c2cc(C(C)=O)[n-]n2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000096151670 222053893 /nfs/dbraw/zinc/05/38/93/222053893.db2.gz WFQDYLGTJYCCGB-UHFFFAOYSA-N -1 3 367.409 2.974 50 0 FFAAHM CCCCc1nc(-c2cc(C(C)=O)n[n-]2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000096151670 222053899 /nfs/dbraw/zinc/05/38/99/222053899.db2.gz WFQDYLGTJYCCGB-UHFFFAOYSA-N -1 3 367.409 2.974 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1 ZINC000002735184 506289438 /nfs/dbraw/zinc/28/94/38/506289438.db2.gz MWOGXFFMSWEFLR-QGZVFWFLSA-N -1 3 360.435 2.913 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)OCc1ccccc1Cl ZINC000003288641 506318260 /nfs/dbraw/zinc/31/82/60/506318260.db2.gz BBTUXPMXPQBAKL-UHFFFAOYSA-N -1 3 371.817 2.891 50 0 FFAAHM COc1ccc(C(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)cc1OC ZINC000004321054 506371142 /nfs/dbraw/zinc/37/11/42/506371142.db2.gz VKIIYFKATFQOSA-OAHLLOKOSA-N -1 3 360.332 2.813 50 0 FFAAHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccccc3)nc(=O)c2c1C ZINC000035741521 506389818 /nfs/dbraw/zinc/38/98/18/506389818.db2.gz GVEYUQNRWPBWSU-UHFFFAOYSA-N -1 3 357.435 2.712 50 0 FFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1NC(C)=O ZINC000004813835 506397840 /nfs/dbraw/zinc/39/78/40/506397840.db2.gz LCRFLZVUGZUMGT-UHFFFAOYSA-N -1 3 352.387 2.984 50 0 FFAAHM CCOC(=O)c1c(C)nc(=O)[n-]c1SCC(=O)c1ccc(Cl)cc1 ZINC000005251690 506432565 /nfs/dbraw/zinc/43/25/65/506432565.db2.gz YLYHBLVLUWSUCZ-UHFFFAOYSA-N -1 3 366.826 2.883 50 0 FFAAHM CCc1cc2c(CN3CCN(Cc4ccco4)CC3)cc(=O)oc2cc1[O-] ZINC000040017927 506458049 /nfs/dbraw/zinc/45/80/49/506458049.db2.gz DXSYRWBGWUUYNP-UHFFFAOYSA-N -1 3 368.433 2.972 50 0 FFAAHM O=C(CCC1CCCC1)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000040150134 506474306 /nfs/dbraw/zinc/47/43/06/506474306.db2.gz KFTZJEBSGLFLEV-UHFFFAOYSA-N -1 3 352.456 2.841 50 0 FFAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc(F)c1 ZINC000006509816 506486580 /nfs/dbraw/zinc/48/65/80/506486580.db2.gz FDEWMMXVFDROFQ-MRXNPFEDSA-N -1 3 368.405 2.906 50 0 FFAAHM O=C(Nc1cccc(-c2nnn[n-]2)c1)c1ccc(Br)s1 ZINC000006731696 506500986 /nfs/dbraw/zinc/50/09/86/506500986.db2.gz PIWLCBDTWDASHI-UHFFFAOYSA-N -1 3 350.201 2.943 50 0 FFAAHM O=C(Nc1cccc(-c2nn[n-]n2)c1)c1ccc(Br)s1 ZINC000006731696 506500990 /nfs/dbraw/zinc/50/09/90/506500990.db2.gz PIWLCBDTWDASHI-UHFFFAOYSA-N -1 3 350.201 2.943 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCC(=O)Nc1ccc2ccccc2c1 ZINC000007940873 506604532 /nfs/dbraw/zinc/60/45/32/506604532.db2.gz GLULXGZSCQLILH-UHFFFAOYSA-N -1 3 373.434 2.752 50 0 FFAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)NCc1ccc2c(c1)OCO2 ZINC000008685797 506662561 /nfs/dbraw/zinc/66/25/61/506662561.db2.gz LIPLVABRPIJEGX-UHFFFAOYSA-N -1 3 374.447 2.670 50 0 FFAAHM COc1ccc(-n2ccnc2SCC(=O)[N-]C(=O)c2cccs2)cc1 ZINC000008746593 506665280 /nfs/dbraw/zinc/66/52/80/506665280.db2.gz ZTWNSCDEIDFZQZ-UHFFFAOYSA-N -1 3 373.459 2.991 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@H](c1ccsc1)N(C)C ZINC000008896735 506672317 /nfs/dbraw/zinc/67/23/17/506672317.db2.gz LAEBXTHTXVZZNW-CYBMUJFWSA-N -1 3 374.915 2.991 50 0 FFAAHM CCN(CC)CCn1c2cc(C(=O)[O-])cnc2n(C2CCCCC2)c1=O ZINC000055168793 506690732 /nfs/dbraw/zinc/69/07/32/506690732.db2.gz SCOHAZPCQCTLIY-UHFFFAOYSA-N -1 3 360.458 2.743 50 0 FFAAHM O=C(Nc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)[C@H]1CCCO1 ZINC000009751858 506710714 /nfs/dbraw/zinc/71/07/14/506710714.db2.gz RYHQTRWBYGZFPH-MRXNPFEDSA-N -1 3 364.398 2.744 50 0 FFAAHM Cn1ccnc1COc1ccc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)cc1 ZINC000044026290 506808953 /nfs/dbraw/zinc/80/89/53/506808953.db2.gz LLLVVMVGSZCKGX-LDADJPATSA-N -1 3 359.385 2.810 50 0 FFAAHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C/c1ccccc1)C(=O)Nc1nccs1 ZINC000012602868 506883478 /nfs/dbraw/zinc/88/34/78/506883478.db2.gz XXGGEHFNINDREB-BMGYJQCNSA-N -1 3 365.480 2.697 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(F)c(F)c1 ZINC000012777730 506900304 /nfs/dbraw/zinc/90/03/04/506900304.db2.gz SGFQDIUDDABVQL-QMMMGPOBSA-N -1 3 353.394 2.829 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCc2ccc(F)cc2)cc1 ZINC000013670495 506949426 /nfs/dbraw/zinc/94/94/26/506949426.db2.gz XBSQZXWVNGOHQC-UHFFFAOYSA-N -1 3 350.415 2.560 50 0 FFAAHM COCCN1c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2CCC1=O ZINC000022688418 507303560 /nfs/dbraw/zinc/30/35/60/507303560.db2.gz YXEMPLPNDDVEBD-UHFFFAOYSA-N -1 3 374.462 2.721 50 0 FFAAHM C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1nc(-c2ccc(F)cc2)no1 ZINC000058224728 507389987 /nfs/dbraw/zinc/38/99/87/507389987.db2.gz POWOWBNZFKZJFO-SECBINFHSA-N -1 3 352.329 2.638 50 0 FFAAHM O=S(=O)([N-]CCc1csc(-c2ccncc2)n1)c1cccs1 ZINC000031773246 507821610 /nfs/dbraw/zinc/82/16/10/507821610.db2.gz VKAOEHFJLFUNBD-UHFFFAOYSA-N -1 3 351.478 2.788 50 0 FFAAHM O=C([O-])[C@@H](c1ccc(O)cc1)N1CCCN(Cc2ccccc2F)CC1 ZINC000108045399 507876198 /nfs/dbraw/zinc/87/61/98/507876198.db2.gz QJOPVBHINZEBDG-LJQANCHMSA-N -1 3 358.413 2.865 50 0 FFAAHM COCCCN1CC2(CCC1=O)CCN(C(=O)c1cccc(C)c1[O-])CC2 ZINC000091519113 507990680 /nfs/dbraw/zinc/99/06/80/507990680.db2.gz SYQGTYWHIHCRDQ-UHFFFAOYSA-N -1 3 374.481 2.582 50 0 FFAAHM COc1cccc([C@@H]2CN(Cc3c(C)noc3C)C[C@H]2C(=O)[O-])c1OC ZINC000091603596 507995977 /nfs/dbraw/zinc/99/59/77/507995977.db2.gz GEPHERLXCFGKLR-JKSUJKDBSA-N -1 3 360.410 2.609 50 0 FFAAHM Cc1ccc2[nH]c([C@H](C)NC(=O)c3cnc(-c4ccccn4)[n-]c3=O)nc2c1 ZINC000091624592 507997294 /nfs/dbraw/zinc/99/72/94/507997294.db2.gz UNVQZUVSXTZGEU-LBPRGKRZSA-N -1 3 374.404 2.920 50 0 FFAAHM Cc1ccc2nc([C@H](C)NC(=O)c3cnc(-c4ccccn4)[n-]c3=O)[nH]c2c1 ZINC000091624592 507997295 /nfs/dbraw/zinc/99/72/95/507997295.db2.gz UNVQZUVSXTZGEU-LBPRGKRZSA-N -1 3 374.404 2.920 50 0 FFAAHM Cc1ncc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)[n-]1 ZINC000091643614 507999543 /nfs/dbraw/zinc/99/95/43/507999543.db2.gz VTGPXNJDXKHGDN-KRWDZBQOSA-N -1 3 374.872 2.689 50 0 FFAAHM CC[C@@H]1CN(C(=O)c2cnc(-c3ccc(C)cc3)[n-]c2=O)CCN1C(C)C ZINC000091908402 508023707 /nfs/dbraw/zinc/02/37/07/508023707.db2.gz YGFBGKSLBWTQPF-QGZVFWFLSA-N -1 3 368.481 2.690 50 0 FFAAHM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)[O-] ZINC000095380093 508180861 /nfs/dbraw/zinc/18/08/61/508180861.db2.gz AFNOQBODOPDOJZ-GOSISDBHSA-N -1 3 370.453 2.568 50 0 FFAAHM C[C@H](Cc1ccccc1)OC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000095452841 508185725 /nfs/dbraw/zinc/18/57/25/508185725.db2.gz BMWGSBFHBFFCFD-ZUOKHONESA-N -1 3 352.390 2.529 50 0 FFAAHM COc1cc(C(=O)N2CCC[C@]3(CCC(=O)N(CC4CC4)C3)C2)ccc1[O-] ZINC000077356309 508305193 /nfs/dbraw/zinc/30/51/93/508305193.db2.gz RIFPGQAFOPVXJR-NRFANRHFSA-N -1 3 372.465 2.656 50 0 FFAAHM O=C(Cc1ccc([O-])c(Cl)c1)N[C@H]1CCCN(Cc2cccnc2)C1 ZINC000219399730 509287202 /nfs/dbraw/zinc/28/72/02/509287202.db2.gz IYSRFPSMSNMFSA-INIZCTEOSA-N -1 3 359.857 2.764 50 0 FFAAHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)s1 ZINC000170654416 509700793 /nfs/dbraw/zinc/70/07/93/509700793.db2.gz LNFZEVBNGMWFRE-VIFPVBQESA-N -1 3 356.860 2.792 50 0 FFAAHM Cc1ccc(C)c(OCCCCC(=O)N2CCc3c(nc[n-]c3=O)C2)c1 ZINC000241965669 509844969 /nfs/dbraw/zinc/84/49/69/509844969.db2.gz UUWVAEXDDUCLOP-UHFFFAOYSA-N -1 3 355.438 2.933 50 0 FFAAHM O=C(N[C@H]1C[C@H](c2cc(=O)[n-]cn2)C1)c1csc(Cc2ccccc2)n1 ZINC000253535585 509887391 /nfs/dbraw/zinc/88/73/91/509887391.db2.gz GWIKHYZJIZRMBJ-HDJSIYSDSA-N -1 3 366.446 2.906 50 0 FFAAHM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cccc(OCc2cscn2)c1 ZINC000171807508 510381705 /nfs/dbraw/zinc/38/17/05/510381705.db2.gz ASVLPMVGXDSORR-HNNXBMFYSA-N -1 3 354.453 2.643 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)C3C4CC5CC(C4)CC3C5)c2)NC(=O)[N-]C1=O ZINC000047191144 570881726 /nfs/dbraw/zinc/88/17/26/570881726.db2.gz WCUVLWFXVNLWJT-QRABZHMLSA-N -1 3 367.449 2.752 50 0 FFAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000046074023 570924225 /nfs/dbraw/zinc/92/42/25/570924225.db2.gz NPPFNPXDHCOANU-GFCCVEGCSA-N -1 3 372.450 2.645 50 0 FFAAHM COCCN1CCC[C@H](C[N-]S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000670445295 571350591 /nfs/dbraw/zinc/35/05/91/571350591.db2.gz NYUWZECXBAIUOQ-CQSZACIVSA-N -1 3 368.524 2.538 50 0 FFAAHM COCCN1CCC[C@@H](C[N-]S(=O)(=O)c2cc3ccccc3s2)C1 ZINC000670445294 571350602 /nfs/dbraw/zinc/35/06/02/571350602.db2.gz NYUWZECXBAIUOQ-AWEZNQCLSA-N -1 3 368.524 2.538 50 0 FFAAHM O=C1C[C@@H](C[N-]S(=O)(=O)c2ccc(F)cc2Cl)CN1C1CCCC1 ZINC000670453460 571353165 /nfs/dbraw/zinc/35/31/65/571353165.db2.gz OWERGWGOXYXXOW-NSHDSACASA-N -1 3 374.865 2.549 50 0 FFAAHM O=S(=O)([N-]Cc1coc(-c2ccccc2)n1)c1ccc(-c2cc[nH]n2)o1 ZINC000670454552 571353777 /nfs/dbraw/zinc/35/37/77/571353777.db2.gz DJENSKWCKIBLHG-UHFFFAOYSA-N -1 3 370.390 2.803 50 0 FFAAHM CCOC(=O)C(Sc1nc2sc(C)c(C)c2c(=O)n1CC)=C(C)[O-] ZINC000000642583 210255767 /nfs/dbraw/zinc/25/57/67/210255767.db2.gz LUYRXSZMPCGZIA-LBPRGKRZSA-N -1 3 368.480 2.708 50 0 FFAAHM CCCCc1ccc(-n2cc(CNCc3nc(C)cc(=O)[n-]3)cn2)cc1 ZINC000063856655 212035025 /nfs/dbraw/zinc/03/50/25/212035025.db2.gz XMWBYQJGWLSZPX-UHFFFAOYSA-N -1 3 351.454 2.896 50 0 FFAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NC3CCCC3)cs2)no1 ZINC000016649198 220189750 /nfs/dbraw/zinc/18/97/50/220189750.db2.gz REFROGPGNFSXMV-UHFFFAOYSA-N -1 3 355.441 2.518 50 0 FFAAHM Cc1cc(-c2cc(=O)[n-]c(-c3cccc(CN4CC[C@H](O)C4)c3)n2)c(C)o1 ZINC000023619128 211391641 /nfs/dbraw/zinc/39/16/41/211391641.db2.gz PISJPZUUENYKHE-KRWDZBQOSA-N -1 3 365.433 2.880 50 0 FFAAHM Cc1nc(C2CCN(Cc3cnn(-c4cccc(F)c4)c3)CC2)cc(=O)[n-]1 ZINC000023338243 211384244 /nfs/dbraw/zinc/38/42/44/211384244.db2.gz IDKKHAYQDSNFLJ-UHFFFAOYSA-N -1 3 367.428 2.783 50 0 FFAAHM COC(=O)C1CCN([C@@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020719578 211293904 /nfs/dbraw/zinc/29/39/04/211293904.db2.gz AXFNAGCJSMNQBJ-OAHLLOKOSA-N -1 3 350.802 2.832 50 0 FFAAHM O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccccc1[O-] ZINC000012858357 211000780 /nfs/dbraw/zinc/00/07/80/211000780.db2.gz LPAAVHFPIPAKCR-JTQLQIEISA-N -1 3 366.468 2.565 50 0 FFAAHM Cc1cc(C)[n-]c(=NNC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)n1 ZINC000005577044 210630010 /nfs/dbraw/zinc/63/00/10/210630010.db2.gz CXOBOAGTRNKSKX-UHFFFAOYSA-N -1 3 359.499 2.627 50 0 FFAAHM CCOC(=O)[C@@]([N-]c1ccccc1)(NC(=O)c1cccnc1)C(F)(F)F ZINC000001879899 210373148 /nfs/dbraw/zinc/37/31/48/210373148.db2.gz IIJMFEFCVNBHJP-MRXNPFEDSA-N -1 3 367.327 2.745 50 0 FFAAHM COc1ccc2c(c1)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CO2 ZINC000065330326 221200069 /nfs/dbraw/zinc/20/00/69/221200069.db2.gz YWFVODQCAPONBG-SNVBAGLBSA-N -1 3 359.856 2.692 50 0 FFAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([S@@](C)=O)cc3)c2)n1 ZINC000065492391 221225257 /nfs/dbraw/zinc/22/52/57/221225257.db2.gz KOIMZSMAXULLQV-SANMLTNESA-N -1 3 367.430 2.735 50 0 FFAAHM c1cc(-c2ccc(-c3c(-c4ccccc4)ncn3CCc3nnn[n-]3)o2)n[nH]1 ZINC000067967844 221310476 /nfs/dbraw/zinc/31/04/76/221310476.db2.gz KTJJBATXUVLALW-UHFFFAOYSA-N -1 3 372.392 2.956 50 0 FFAAHM c1cc(-c2ccc(-c3c(-c4ccccc4)ncn3CCc3nn[n-]n3)o2)n[nH]1 ZINC000067967844 221310477 /nfs/dbraw/zinc/31/04/77/221310477.db2.gz KTJJBATXUVLALW-UHFFFAOYSA-N -1 3 372.392 2.956 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@H]2c1cc2ccccc2n(C)c1=O ZINC000071283102 221338366 /nfs/dbraw/zinc/33/83/66/221338366.db2.gz WCQSYIBXMSWAKM-GFCCVEGCSA-N -1 3 352.394 2.733 50 0 FFAAHM Cc1cccc(OC[C@@H]2CCCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)C2)c1 ZINC000072429604 221519815 /nfs/dbraw/zinc/51/98/15/221519815.db2.gz SMQYOXODMXDAIS-QGZVFWFLSA-N -1 3 369.465 2.555 50 0 FFAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2CCC1=O ZINC000009828232 132381528 /nfs/dbraw/zinc/38/15/28/132381528.db2.gz JXXFBTKMIFOLRS-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM O=C1[C@H]([N-]S(=O)(=O)c2ccc(Cl)s2)CCN1c1ccc(F)cc1 ZINC000096396257 222119059 /nfs/dbraw/zinc/11/90/59/222119059.db2.gz APBQDLWJOWKFNQ-LLVKDONJSA-N -1 3 374.846 2.624 50 0 FFAAHM COc1cc(OC)c(CN2CCC(Cn3cccn3)CC2)c(C(=O)[O-])c1 ZINC000097532763 222190423 /nfs/dbraw/zinc/19/04/23/222190423.db2.gz ZVQUDNHEJGZQLZ-UHFFFAOYSA-N -1 3 359.426 2.511 50 0 FFAAHM CCOc1ccc(-c2nnc3ccc(SC(C(C)=O)=C(C)[O-])nn32)cc1 ZINC000100712599 222250629 /nfs/dbraw/zinc/25/06/29/222250629.db2.gz GOTLLAGHTGZDGA-UHFFFAOYSA-N -1 3 370.434 2.829 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2C)cc1 ZINC000032094564 506230084 /nfs/dbraw/zinc/23/00/84/506230084.db2.gz NSHMJBUAHWLDIP-UHFFFAOYSA-N -1 3 362.451 2.641 50 0 FFAAHM O=S(=O)([N-]C1CCN(c2nc3ccccc3o2)CC1)c1cccs1 ZINC000032902552 506308462 /nfs/dbraw/zinc/30/84/62/506308462.db2.gz RYSBHALRDHFZTG-UHFFFAOYSA-N -1 3 363.464 2.837 50 0 FFAAHM COc1ccccc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000032975882 506320616 /nfs/dbraw/zinc/32/06/16/506320616.db2.gz JEGIMFVYXJJNTN-OAHLLOKOSA-N -1 3 368.480 2.698 50 0 FFAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc(Cl)c1[O-] ZINC000004121972 506360533 /nfs/dbraw/zinc/36/05/33/506360533.db2.gz VTCOWANFFVHOAV-CYBMUJFWSA-N -1 3 354.790 2.634 50 0 FFAAHM CCn1c(SCC(=O)Nc2nccs2)nnc1-c1ccccc1[O-] ZINC000004502386 506379242 /nfs/dbraw/zinc/37/92/42/506379242.db2.gz MJJWKWOCMOYMQD-UHFFFAOYSA-N -1 3 361.452 2.858 50 0 FFAAHM O=S(=O)([N-]Cc1ccccc1)c1cnc(Cl)c(Br)c1 ZINC000035551094 506388348 /nfs/dbraw/zinc/38/83/48/506388348.db2.gz HRXOCKHUWNYAAM-UHFFFAOYSA-N -1 3 361.648 2.976 50 0 FFAAHM O=C1CC(N(O)c2ccccc2)=C([O-])N1c1cccc(Br)c1 ZINC000005047397 506417192 /nfs/dbraw/zinc/41/71/92/506417192.db2.gz MSGMDUMGBWSNEP-CQSZACIVSA-N -1 3 361.195 2.977 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)CCCc3cccs3)c2)NC(=O)[N-]C1=O ZINC000040111233 506467890 /nfs/dbraw/zinc/46/78/90/506467890.db2.gz WBRMDRMRCAMBAG-SFHVURJKSA-N -1 3 357.435 2.764 50 0 FFAAHM COc1ccccc1-c1nc(NC(=O)Cc2ccc(-n3cccn3)cc2)n[n-]1 ZINC000040108801 506468758 /nfs/dbraw/zinc/46/87/58/506468758.db2.gz DBLRPCZCKPXDRW-UHFFFAOYSA-N -1 3 374.404 2.847 50 0 FFAAHM COc1ccc2ccccc2c1CNC(=O)C(=O)Nc1ccccc1[O-] ZINC000040283014 506479751 /nfs/dbraw/zinc/47/97/51/506479751.db2.gz QBVCCEDHOXVUKP-UHFFFAOYSA-N -1 3 350.374 2.809 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)N1 ZINC000006395072 506481273 /nfs/dbraw/zinc/48/12/73/506481273.db2.gz FWEHJSZVJYTTPQ-AWEZNQCLSA-N -1 3 356.279 2.689 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2 ZINC000054979659 506654803 /nfs/dbraw/zinc/65/48/03/506654803.db2.gz ABGXDMGGOOIGQY-SECBINFHSA-N -1 3 360.892 2.759 50 0 FFAAHM O=C(COc1cccc(Br)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000008747967 506665825 /nfs/dbraw/zinc/66/58/25/506665825.db2.gz SSIHYSYCXROEJV-UHFFFAOYSA-N -1 3 374.198 2.647 50 0 FFAAHM O=C(COc1cccc(Br)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000008747967 506665832 /nfs/dbraw/zinc/66/58/32/506665832.db2.gz SSIHYSYCXROEJV-UHFFFAOYSA-N -1 3 374.198 2.647 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCOc1cccc(Cl)c1Cl ZINC000057021724 507153753 /nfs/dbraw/zinc/15/37/53/507153753.db2.gz LUTSUMVLTBNAIE-UHFFFAOYSA-N -1 3 365.238 2.956 50 0 FFAAHM COc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)c2c1 ZINC000020732519 507233616 /nfs/dbraw/zinc/23/36/16/507233616.db2.gz RVGCKILLJMODAY-LJQANCHMSA-N -1 3 366.421 2.519 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@H](C)c2ccccc2)s1 ZINC000058193674 507383400 /nfs/dbraw/zinc/38/34/00/507383400.db2.gz HPSWDGVGDLATHC-ZDUSSCGKSA-N -1 3 366.508 2.856 50 0 FFAAHM CCc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)Nc3nccs3)C2)c1 ZINC000058228501 507390847 /nfs/dbraw/zinc/39/08/47/507390847.db2.gz SBJGHAPSERHPMA-ZDUSSCGKSA-N -1 3 359.451 2.902 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CC(=O)N[C@H]3CCOC(C)(C)C3)c(=O)oc12 ZINC000070666515 507614096 /nfs/dbraw/zinc/61/40/96/507614096.db2.gz QFIAIEPMZVABLP-ZDUSSCGKSA-N -1 3 359.422 2.732 50 0 biogenic FFAAHM O=C([N-]c1ccc(F)cc1)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000049410291 507619391 /nfs/dbraw/zinc/61/93/91/507619391.db2.gz BQRBFMZNIHORBZ-UHFFFAOYSA-N -1 3 368.303 2.848 50 0 FFAAHM O=c1cc(CCN2CC(c3ccccc3)(c3ccccc3)CCC2=O)nc[n-]1 ZINC000091713631 508004839 /nfs/dbraw/zinc/00/48/39/508004839.db2.gz RYOSDVZENNNHPV-UHFFFAOYSA-N -1 3 373.456 2.921 50 0 FFAAHM Cc1nccn1CC1(CNC(=O)c2cnc(-c3cccs3)[n-]c2=O)CC1 ZINC000091943135 508026168 /nfs/dbraw/zinc/02/61/68/508026168.db2.gz KCPQYFJNXHIGOG-UHFFFAOYSA-N -1 3 369.450 2.626 50 0 FFAAHM O[C@@H](Cn1cc(-c2ccc(-c3nnn[n-]3)cc2)nn1)c1ccccc1Cl ZINC000095357696 508175577 /nfs/dbraw/zinc/17/55/77/508175577.db2.gz RYXYFOBVKCPGFL-INIZCTEOSA-N -1 3 367.800 2.512 50 0 FFAAHM O[C@@H](Cn1cc(-c2ccc(-c3nn[n-]n3)cc2)nn1)c1ccccc1Cl ZINC000095357696 508175580 /nfs/dbraw/zinc/17/55/80/508175580.db2.gz RYXYFOBVKCPGFL-INIZCTEOSA-N -1 3 367.800 2.512 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3cccnc3)CC2)cc1C ZINC000095359154 508175625 /nfs/dbraw/zinc/17/56/25/508175625.db2.gz ATSJTNCQDPDBIV-HXUWFJFHSA-N -1 3 369.465 2.732 50 0 FFAAHM CCCCc1nc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c[nH]1 ZINC000095370599 508178045 /nfs/dbraw/zinc/17/80/45/508178045.db2.gz DYCCFYBKBICFMW-OXQOHEQNSA-N -1 3 355.438 2.815 50 0 FFAAHM O=C(NCc1c(F)cccc1OC(F)F)c1cc2n[n-]nc2cc1F ZINC000096012438 508202301 /nfs/dbraw/zinc/20/23/01/508202301.db2.gz YCJNQYMVENRCOQ-UHFFFAOYSA-N -1 3 354.263 2.768 50 0 FFAAHM COc1cc(CN2CCC[C@@H](C(=O)c3nccn3C)C2)cc(Cl)c1[O-] ZINC000077536102 508329791 /nfs/dbraw/zinc/32/97/91/508329791.db2.gz RPPIBOABHFNUJQ-CYBMUJFWSA-N -1 3 363.845 2.883 50 0 FFAAHM C[C@@H](Oc1ccccc1CN1CCN(C2CCSCC2)CC1)C(=O)[O-] ZINC000215837883 509252939 /nfs/dbraw/zinc/25/29/39/509252939.db2.gz KWCRULDTMIHEGX-OAHLLOKOSA-N -1 3 364.511 2.552 50 0 FFAAHM COc1cc([C@@H]2CC(=O)Oc3ccc(C(C)=O)c([O-])c32)cc(OC)c1O ZINC000217706009 509271094 /nfs/dbraw/zinc/27/10/94/509271094.db2.gz PATXQPIQJYWQIW-LBPRGKRZSA-N -1 3 358.346 2.759 50 0 biogenic FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000237128447 509579887 /nfs/dbraw/zinc/57/98/87/509579887.db2.gz JSUJFWXJSXFZID-QWHCGFSZSA-N -1 3 359.253 2.572 50 0 FFAAHM Cc1ccc(C(=O)[N-]S(=O)(=O)c2ccc(CN(C)C)cc2)cc1Cl ZINC000170617237 509681646 /nfs/dbraw/zinc/68/16/46/509681646.db2.gz RPSFZTXSCXLXFW-UHFFFAOYSA-N -1 3 366.870 2.829 50 0 FFAAHM O=S(=O)([N-][C@@H](c1ccccn1)[C@H]1C[C@@H](O)C1)c1ccc(Cl)s1 ZINC000244719205 509865846 /nfs/dbraw/zinc/86/58/46/509865846.db2.gz LYSJOCQYEPNJBM-ISTVAULSSA-N -1 3 358.872 2.587 50 0 FFAAHM Cc1cc([C@@H]2CCCN2C(=O)c2ccc(-c3c[nH]c(=O)[n-]c3=O)cc2)on1 ZINC000426436730 513940608 /nfs/dbraw/zinc/94/06/08/513940608.db2.gz QXACOACGFZCICF-HNNXBMFYSA-N -1 3 366.377 2.829 50 0 FFAAHM C[C@H](c1ccc(-c2ccc([N-]S(C)(=O)=O)nc2)cc1)N1CCOCC1 ZINC000534667004 517991668 /nfs/dbraw/zinc/99/16/68/517991668.db2.gz PYBWGUPTXKDKLD-CQSZACIVSA-N -1 3 361.467 2.513 50 0 FFAAHM COC[C@](C)(C[N-]S(=O)(=O)c1cc(C)c(Cl)cc1Cl)OC ZINC000575613251 518237195 /nfs/dbraw/zinc/23/71/95/518237195.db2.gz QMZBOYVUJVWWPE-ZDUSSCGKSA-N -1 3 356.271 2.632 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000584884125 518522054 /nfs/dbraw/zinc/52/20/54/518522054.db2.gz BQCHKWQMMWVGLD-UHFFFAOYSA-N -1 3 356.813 2.735 50 0 FFAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(-c2ccoc2)o1 ZINC000585147882 518547475 /nfs/dbraw/zinc/54/74/75/518547475.db2.gz FMWNJHGYDZJEOX-UHFFFAOYSA-N -1 3 367.404 2.866 50 0 FFAAHM Cc1ccsc1Cn1[n-]ccc1=NC(=O)c1n[nH]c(=O)c2ccccc21 ZINC000606348049 521032495 /nfs/dbraw/zinc/03/24/95/521032495.db2.gz ZLAGOUJYWYHMTQ-UHFFFAOYSA-N -1 3 365.418 2.624 50 0 FFAAHM O=C(CC1CCCC1)N1CCCC[C@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000082097931 526354263 /nfs/dbraw/zinc/35/42/63/526354263.db2.gz XVEWUYKYFGMRID-HNNXBMFYSA-N -1 3 370.540 2.988 50 0 FFAAHM CCCCn1c(=O)[n-]nc1SCC(=O)N1c2ccccc2CC[C@H]1C ZINC000009313834 535133279 /nfs/dbraw/zinc/13/32/79/535133279.db2.gz JIDAUIZAUPMPMY-CYBMUJFWSA-N -1 3 360.483 2.832 50 0 FFAAHM O=C(COC(=O)c1cc(-c2ccco2)n[n-]1)N1CCCc2ccccc21 ZINC000084581956 571090340 /nfs/dbraw/zinc/09/03/40/571090340.db2.gz SZYHEEHKUDRWMK-UHFFFAOYSA-N -1 3 351.362 2.806 50 0 FFAAHM O=C(COC(=O)c1cc(-c2ccco2)[n-]n1)N1CCCc2ccccc21 ZINC000084581956 571090341 /nfs/dbraw/zinc/09/03/41/571090341.db2.gz SZYHEEHKUDRWMK-UHFFFAOYSA-N -1 3 351.362 2.806 50 0 FFAAHM CCc1nc(S(=O)(=O)[N-][C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)c[nH]1 ZINC000670451601 571352511 /nfs/dbraw/zinc/35/25/11/571352511.db2.gz WLXWINUCFBUYAC-MRXNPFEDSA-N -1 3 361.471 2.832 50 0 FFAAHM CCc1nc(S(=O)(=O)[N-][C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c[nH]1 ZINC000670451601 571352512 /nfs/dbraw/zinc/35/25/12/571352512.db2.gz WLXWINUCFBUYAC-MRXNPFEDSA-N -1 3 361.471 2.832 50 0 FFAAHM Cc1ccccc1OCC(=O)NN=Cc1cc(Br)ccc1[O-] ZINC000263622375 729692666 /nfs/dbraw/zinc/69/26/66/729692666.db2.gz RUHFLDHJZPGEEK-UHFFFAOYSA-N -1 3 363.211 2.992 50 0 FFAAHM Cc1c[nH]c(C(=O)N2CCC[C@@H](c3cc(=O)[n-]c(-c4ccsc4)n3)C2)n1 ZINC000067725135 1019181865 /nfs/dbraw/zinc/18/18/65/1019181865.db2.gz UMLCQPUVHSPADB-GFCCVEGCSA-N -1 3 369.450 2.550 50 0 FFAAHM Cc1ccc(C2=NN(c3cc(C)nc(N)n3)[C@@]([O-])(C(F)(F)F)C2)cc1 ZINC000004478249 210081663 /nfs/dbraw/zinc/08/16/63/210081663.db2.gz GQKRUHJACASAEJ-HNNXBMFYSA-N -1 3 351.332 2.541 50 0 FFAAHM O=C(Nc1cccc2n[n-]nc21)N1CCC([C@@H](O)c2cccs2)CC1 ZINC000299755456 210008916 /nfs/dbraw/zinc/00/89/16/210008916.db2.gz CKVUBIKAIQWQBW-MRXNPFEDSA-N -1 3 357.439 2.997 50 0 FFAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]CCc1ccccc1 ZINC000000781591 219320674 /nfs/dbraw/zinc/32/06/74/219320674.db2.gz WOAXLJWKQPNVKH-UHFFFAOYSA-N -1 3 370.268 2.979 50 0 FFAAHM COC(=O)[C@H](Cc1ccccc1)[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000015327382 220151237 /nfs/dbraw/zinc/15/12/37/220151237.db2.gz QERNCXQXUAECMO-AWEZNQCLSA-N -1 3 371.817 2.542 50 0 FFAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccc1Cl)OCC(=O)N2 ZINC000020491733 211282878 /nfs/dbraw/zinc/28/28/78/211282878.db2.gz KMOZQTLFGMUXMT-UHFFFAOYSA-N -1 3 352.799 2.780 50 0 FFAAHM CC(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nnc(-c3ccncc3)o2)cc1 ZINC000010253741 210344270 /nfs/dbraw/zinc/34/42/70/210344270.db2.gz YTIMVPYEVGHZID-UHFFFAOYSA-N -1 3 372.406 2.566 50 0 FFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cc1 ZINC000000982870 210296801 /nfs/dbraw/zinc/29/68/01/210296801.db2.gz CAEVTJXJUMCKLV-UHFFFAOYSA-N -1 3 373.789 2.832 50 0 FFAAHM COC(=O)c1ccc(F)c(S(=O)(=O)[N-]C[C@H](C)c2ccccc2)c1 ZINC000058151596 221099839 /nfs/dbraw/zinc/09/98/39/221099839.db2.gz TUEGQCHWYURBDI-LBPRGKRZSA-N -1 3 351.399 2.694 50 0 FFAAHM C[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H](c2ccccc2)O1 ZINC000065827561 221237003 /nfs/dbraw/zinc/23/70/03/221237003.db2.gz WRTOSGSPCOSYJX-SJCJKPOMSA-N -1 3 365.389 2.564 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@]21c2cccc(Cl)c2N(C)C1=O ZINC000071280198 221336728 /nfs/dbraw/zinc/33/67/28/221336728.db2.gz RMTRLYPRYZZORD-KRWDZBQOSA-N -1 3 360.801 2.665 50 0 FFAAHM Cc1ccc(N2CCN(C(=O)c3ccccc3-c3nnn[n-]3)[C@@H](C)C2)cc1 ZINC000077440752 132185173 /nfs/dbraw/zinc/18/51/73/132185173.db2.gz GWQBKJTYZQFFIV-HNNXBMFYSA-N -1 3 362.437 2.526 50 0 FFAAHM Cc1ccc(N2CCN(C(=O)c3ccccc3-c3nn[n-]n3)[C@@H](C)C2)cc1 ZINC000077440752 132185174 /nfs/dbraw/zinc/18/51/74/132185174.db2.gz GWQBKJTYZQFFIV-HNNXBMFYSA-N -1 3 362.437 2.526 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)c(C)c1 ZINC000008962442 132260624 /nfs/dbraw/zinc/26/06/24/132260624.db2.gz PKCPKCLEVNRJLE-UHFFFAOYSA-N -1 3 360.435 2.713 50 0 FFAAHM O=C([O-])CN1CC2(CCC1=O)CCN(Cc1ccccc1Cl)CC2 ZINC000091907428 221813521 /nfs/dbraw/zinc/81/35/21/221813521.db2.gz GRHILNYWRHBGBN-UHFFFAOYSA-N -1 3 350.846 2.629 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cnn(C)c2)S1 ZINC000096116616 222032670 /nfs/dbraw/zinc/03/26/70/222032670.db2.gz SXQLFCDVRPDAOA-OCCSQVGLSA-N -1 3 361.471 2.926 50 0 FFAAHM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000002125667 506272784 /nfs/dbraw/zinc/27/27/84/506272784.db2.gz PPNKTDMWBDVVMC-YJBOKZPZSA-N -1 3 352.390 2.961 50 0 biogenic FFAAHM CN(C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583144 506283619 /nfs/dbraw/zinc/28/36/19/506283619.db2.gz MLHXMAJLOUQRJN-SFHVURJKSA-N -1 3 354.406 2.540 50 0 FFAAHM CC[C@H](C)NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000002938625 506303289 /nfs/dbraw/zinc/30/32/89/506303289.db2.gz IKIQSSCEJNLYKB-HOCLYGCPSA-N -1 3 364.467 2.912 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)c3ccccc3F)cc2C(=O)[O-])CC1 ZINC000033078729 506332092 /nfs/dbraw/zinc/33/20/92/506332092.db2.gz VRJGOPMNFCHCGA-UHFFFAOYSA-N -1 3 371.412 2.918 50 0 FFAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)sc3c2)cc1 ZINC000003906378 506351652 /nfs/dbraw/zinc/35/16/52/506351652.db2.gz QFZDWYQMLHVAOA-UHFFFAOYSA-N -1 3 350.421 2.789 50 0 FFAAHM C/C=C/COC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000004189548 506364223 /nfs/dbraw/zinc/36/42/23/506364223.db2.gz ZIACBWRDQIKEGG-ISZGNANSSA-N -1 3 366.801 2.801 50 0 FFAAHM COc1ccc(CC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000004265609 506367769 /nfs/dbraw/zinc/36/77/69/506367769.db2.gz FBMBSEUDUIVHTF-BBRMVZONSA-N -1 3 356.344 2.877 50 0 FFAAHM O=C(Cn1[n-]c(=O)c2ccccc2c1=O)OCc1cccc2ccccc21 ZINC000004278123 506368170 /nfs/dbraw/zinc/36/81/70/506368170.db2.gz GDZSLEULGCPDPF-UHFFFAOYSA-N -1 3 360.369 2.586 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)c(C)c2)cc1 ZINC000005329283 506435250 /nfs/dbraw/zinc/43/52/50/506435250.db2.gz ZOGGOHQGIAMBKV-UHFFFAOYSA-N -1 3 360.435 2.931 50 0 FFAAHM O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccc2n[n-]nc2c1 ZINC000040109000 506468911 /nfs/dbraw/zinc/46/89/11/506468911.db2.gz XGDWTDXYCCTABY-UHFFFAOYSA-N -1 3 359.389 2.862 50 0 FFAAHM CCOC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@@H](C)C3)nc(=O)c2c1C ZINC000006160241 506469645 /nfs/dbraw/zinc/46/96/45/506469645.db2.gz DMGYGUQOTLXYQW-GHMZBOCLSA-N -1 3 363.483 2.948 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)NC(=O)[N-]C1=O ZINC000040118475 506470265 /nfs/dbraw/zinc/47/02/65/506470265.db2.gz GOEDCDNWYAESEI-OYNODLEVSA-N -1 3 367.449 2.896 50 0 FFAAHM C[C@H](Sc1n[n-]c([C@@H]2CCCO2)n1)C(=O)Nc1ccc(Cl)cn1 ZINC000008940241 506673823 /nfs/dbraw/zinc/67/38/23/506673823.db2.gz HJGKRUNNNJKCRN-WPRPVWTQSA-N -1 3 353.835 2.824 50 0 FFAAHM Cc1nn(C)c(C)c1C(=O)O[C@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000010954009 506760032 /nfs/dbraw/zinc/76/00/32/506760032.db2.gz LZDUHQKKMLTQPX-SNVBAGLBSA-N -1 3 360.439 2.870 50 0 FFAAHM C[C@@H](C(=O)N1CCCCCC1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000012795351 506903817 /nfs/dbraw/zinc/90/38/17/506903817.db2.gz SYVLELVFGGBSHX-INIZCTEOSA-N -1 3 373.497 2.834 50 0 FFAAHM COc1cccc(-c2cc(=O)[n-]c(N3CCN(c4ccccc4)CC3)n2)c1 ZINC000013611371 506946382 /nfs/dbraw/zinc/94/63/82/506946382.db2.gz PJIHFFGGSNWLTI-UHFFFAOYSA-N -1 3 362.433 2.772 50 0 FFAAHM COc1ccc(C(=O)[N-]C(=O)CN2CC=C(c3ccccc3)CC2)cc1 ZINC000057322926 507238782 /nfs/dbraw/zinc/23/87/82/507238782.db2.gz LNZCGKQOFZWTND-UHFFFAOYSA-N -1 3 350.418 2.741 50 0 FFAAHM Cc1nc(N2CCCCC2)ncc1-c1cc(=O)[n-]c(NCc2ccco2)n1 ZINC000022607781 507300253 /nfs/dbraw/zinc/30/02/53/507300253.db2.gz ZQKYCJDAQRPISS-UHFFFAOYSA-N -1 3 366.425 2.731 50 0 FFAAHM Cc1cc2ccccc2n1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024889906 507445309 /nfs/dbraw/zinc/44/53/09/507445309.db2.gz QCPYPJMIHIVXDM-UHFFFAOYSA-N -1 3 357.435 2.960 50 0 FFAAHM Cc1cc(C)c(C)c(OS(=O)(=O)c2c[n-]c(C(=O)N3CCCC3)c2)c1 ZINC000027948846 507695851 /nfs/dbraw/zinc/69/58/51/507695851.db2.gz KRODMCRJSLOFBE-UHFFFAOYSA-N -1 3 362.451 2.944 50 0 FFAAHM Cc1nc(C2CCN(Cc3cnc(-c4ccccn4)nc3)CC2)cc(=O)[n-]1 ZINC000072126512 507752166 /nfs/dbraw/zinc/75/21/66/507752166.db2.gz DCKMJLDMGPXYQV-UHFFFAOYSA-N -1 3 362.437 2.722 50 0 FFAAHM Cc1cc(CS(=O)(=O)[N-]CCOc2ccc(C(C)(C)C)cc2)on1 ZINC000072301840 507773189 /nfs/dbraw/zinc/77/31/89/507773189.db2.gz ZUIJKPCZSJYHIG-UHFFFAOYSA-N -1 3 352.456 2.779 50 0 FFAAHM COc1cc(NC(=O)c2c[n-]c3ccccc3c2=O)cc(OC)c1OC ZINC000031545968 507820054 /nfs/dbraw/zinc/82/00/54/507820054.db2.gz UYRQEVSOOYNTOY-UHFFFAOYSA-N -1 3 354.362 2.806 50 0 FFAAHM COc1cc(NC(=O)c2cnc3ccccc3c2[O-])cc(OC)c1OC ZINC000031545968 507820055 /nfs/dbraw/zinc/82/00/55/507820055.db2.gz UYRQEVSOOYNTOY-UHFFFAOYSA-N -1 3 354.362 2.806 50 0 FFAAHM O=S(=O)([N-][C@@H]1CCCCC12OCCO2)c1cc(Cl)cc(Cl)c1 ZINC000089764373 507863376 /nfs/dbraw/zinc/86/33/76/507863376.db2.gz OPXCUUJXEPCNPF-CYBMUJFWSA-N -1 3 366.266 2.957 50 0 FFAAHM CC[C@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccccc3)CCN(C)CC2)C1 ZINC000091713974 508004688 /nfs/dbraw/zinc/00/46/88/508004688.db2.gz PLWANEFWGNRNPX-FQEVSTJZSA-N -1 3 358.482 2.753 50 0 FFAAHM O=C([O-])CN1CC2(CCC1=O)CCN(Cc1ccc3occc3c1)CC2 ZINC000092046752 508037812 /nfs/dbraw/zinc/03/78/12/508037812.db2.gz GTCZRIOKDIKVDK-UHFFFAOYSA-N -1 3 356.422 2.722 50 0 FFAAHM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c1C ZINC000075347998 508100420 /nfs/dbraw/zinc/10/04/20/508100420.db2.gz YRHSWUWERCQNDP-UHFFFAOYSA-N -1 3 358.366 2.887 50 0 FFAAHM COc1ccc(F)c([C@@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)c1 ZINC000095379973 508180822 /nfs/dbraw/zinc/18/08/22/508180822.db2.gz IWJOPBCIHJMKTM-IBGZPJMESA-N -1 3 373.428 2.563 50 0 FFAAHM O=C([O-])[C@H](c1ccc2c(c1)OCO2)N1CCC(OCc2cccnc2)CC1 ZINC000095392970 508184228 /nfs/dbraw/zinc/18/42/28/508184228.db2.gz LLDHMKFKCIGTBQ-IBGZPJMESA-N -1 3 370.405 2.617 50 0 FFAAHM COc1ccc(-c2noc(CCCC(=O)Nc3ccncc3[O-])n2)cc1 ZINC000095394601 508184415 /nfs/dbraw/zinc/18/44/15/508184415.db2.gz BOPOLDWUMCOMRR-UHFFFAOYSA-N -1 3 354.366 2.807 50 0 FFAAHM COCCn1ccc2ccc(C(=O)Nc3n[n-]c([C@@H]4CCCO4)n3)cc21 ZINC000095480663 508189172 /nfs/dbraw/zinc/18/91/72/508189172.db2.gz RPHVNWQTOJYWLE-HNNXBMFYSA-N -1 3 355.398 2.510 50 0 FFAAHM COc1ccc2[n-]cc(C(=O)N[C@H](C)c3nnc(C(C)C)o3)c(=O)c2c1 ZINC000216154911 509258172 /nfs/dbraw/zinc/25/81/72/509258172.db2.gz WEIYZGSVUYLMGB-SNVBAGLBSA-N -1 3 356.382 2.534 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(Cc1ccc3cccc(Cl)c3n1)CC2 ZINC000216500447 509261621 /nfs/dbraw/zinc/26/16/21/509261621.db2.gz XSPITAFUBWWCIG-UHFFFAOYSA-N -1 3 354.841 2.881 50 0 FFAAHM CC1(C)c2cc([N-]S(=O)(=O)CCOCc3ccccc3)ccc2NC1=O ZINC000223452558 509340292 /nfs/dbraw/zinc/34/02/92/509340292.db2.gz HCJGNRBXXGGYDX-UHFFFAOYSA-N -1 3 374.462 2.875 50 0 FFAAHM CC[C@@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000170593107 509673485 /nfs/dbraw/zinc/67/34/85/509673485.db2.gz AJCJNWXPVDJBKE-KZNAEPCWSA-N -1 3 352.390 2.784 50 0 FFAAHM Cc1ccccc1[C@]1(O)CCN(CCC(=O)Nc2ccsc2C(=O)[O-])C1 ZINC000252483638 509840023 /nfs/dbraw/zinc/84/00/23/509840023.db2.gz FGHMHPVVMXCNTI-IBGZPJMESA-N -1 3 374.462 2.677 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N=c2sccn2Cc2ccccc2)c(=O)[n-]1 ZINC000253532377 509886825 /nfs/dbraw/zinc/88/68/25/509886825.db2.gz SFCCRELVIJZDPS-UHFFFAOYSA-N -1 3 368.462 2.770 50 0 FFAAHM Cc1nccn1CC[C@H]1CCCCN1C(=O)c1cnc(C(C)C)[n-]c1=O ZINC000253537268 509888114 /nfs/dbraw/zinc/88/81/14/509888114.db2.gz IMKNXCLJJGANOR-OAHLLOKOSA-N -1 3 357.458 2.896 50 0 FFAAHM O=C(NCCc1nc(-c2cccnc2)no1)c1c[n-]nc1-c1cccs1 ZINC000426509496 513964271 /nfs/dbraw/zinc/96/42/71/513964271.db2.gz PDXFRUGZEZIDFV-UHFFFAOYSA-N -1 3 366.406 2.556 50 0 FFAAHM Cc1nc(-c2cccc(C(=O)N3CC[C@@H](N(C)C)C3)c2)c(Cl)c(=O)[n-]1 ZINC000584886981 518523618 /nfs/dbraw/zinc/52/36/18/518523618.db2.gz IUWOUZMIWNPNOO-CQSZACIVSA-N -1 3 360.845 2.587 50 0 FFAAHM COc1cccc(Cn2[n-]ccc2=NC(=O)c2ccc(F)cc2)c1OC ZINC000606348178 521032458 /nfs/dbraw/zinc/03/24/58/521032458.db2.gz LZKYPUTUZAWXRW-UHFFFAOYSA-N -1 3 355.369 2.762 50 0 FFAAHM COc1ccc([C@H]2CCCN2CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000085558040 525412066 /nfs/dbraw/zinc/41/20/66/525412066.db2.gz ZCBQEGSYAZWKMR-MRXNPFEDSA-N -1 3 366.508 2.872 50 0 FFAAHM Cc1ncc(C(=O)NCC[C@H](c2ccco2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000091468626 527234369 /nfs/dbraw/zinc/23/43/69/527234369.db2.gz ZATHAHRWSIYPBT-HNNXBMFYSA-N -1 3 355.369 2.762 50 0 FFAAHM CCCCc1c(C)nc(N2CCN(c3ccccc3OC)CC2)[n-]c1=O ZINC000007499223 535077487 /nfs/dbraw/zinc/07/74/87/535077487.db2.gz OSULFIXAWPNWNH-UHFFFAOYSA-N -1 3 356.470 2.756 50 0 FFAAHM O=C(Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O)Nc1ccccc1F ZINC000101801052 570823710 /nfs/dbraw/zinc/82/37/10/570823710.db2.gz ZXZCOCSTHYMCAP-UHFFFAOYSA-N -1 3 354.316 2.746 50 0 FFAAHM COC(=O)C(=C([O-])CC[C@H]1Cc2ccccc2NC1=O)c1nc(C)cs1 ZINC000048310800 570943700 /nfs/dbraw/zinc/94/37/00/570943700.db2.gz XJXZGMVTWKOCPF-BBRMVZONSA-N -1 3 372.446 2.868 50 0 FFAAHM O=C1[N-]C(=O)C(=CNc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000102140321 1013140322 /nfs/dbraw/zinc/14/03/22/1013140322.db2.gz XQPQGCLGWBDEMK-MDWZMJQESA-N -1 3 363.295 2.746 50 0 FFAAHM Cc1cc2ncc([N-]S(=O)(=O)Cc3ccc(C(F)(F)F)cc3)cn2n1 ZINC000206739298 222626184 /nfs/dbraw/zinc/62/61/84/222626184.db2.gz LEBAOMLQHDDKGE-UHFFFAOYSA-N -1 3 370.356 2.998 50 0 FFAAHM CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(-c3ccccc3F)cc2)C1 ZINC000299757221 210009686 /nfs/dbraw/zinc/00/96/86/210009686.db2.gz JRJLTOYCAFQYQQ-QAPCUYQASA-N -1 3 356.397 2.722 50 0 FFAAHM CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(Cl)c1OCC(=O)OC ZINC000001012978 219353044 /nfs/dbraw/zinc/35/30/44/219353044.db2.gz ULFFVKRDTWBHHQ-IZZDOVSWSA-N -1 3 371.798 2.614 50 0 FFAAHM Cc1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c(C)n1-c1cccnc1 ZINC000062640024 212029373 /nfs/dbraw/zinc/02/93/73/212029373.db2.gz FYHFQZWRXHZVDB-UHFFFAOYSA-N -1 3 350.304 2.878 50 0 FFAAHM Cc1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c(C)n1-c1cccnc1 ZINC000062640024 212029376 /nfs/dbraw/zinc/02/93/76/212029376.db2.gz FYHFQZWRXHZVDB-UHFFFAOYSA-N -1 3 350.304 2.878 50 0 FFAAHM COc1ccc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)cn1 ZINC000061720018 212024934 /nfs/dbraw/zinc/02/49/34/212024934.db2.gz RHIFVMKKNMNZAD-UHFFFAOYSA-N -1 3 351.362 2.610 50 0 FFAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@@H](c2ccco2)C1 ZINC000060101658 212018857 /nfs/dbraw/zinc/01/88/57/212018857.db2.gz YIJHMNPZDIAZDW-MRXNPFEDSA-N -1 3 361.423 2.739 50 0 FFAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1F ZINC000016085946 220177813 /nfs/dbraw/zinc/17/78/13/220177813.db2.gz KBPXWBRNCJWZRY-UHFFFAOYSA-N -1 3 357.790 2.729 50 0 FFAAHM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4ccccn4)CC3)c2c1 ZINC000020719795 211292595 /nfs/dbraw/zinc/29/25/95/211292595.db2.gz VVGVFPNNCDGOJW-HXUWFJFHSA-N -1 3 364.449 2.815 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(Cc2ccncc2)CC1 ZINC000020676137 211292709 /nfs/dbraw/zinc/29/27/09/211292709.db2.gz UENOSIWBMTUOAJ-LJQANCHMSA-N -1 3 350.422 2.506 50 0 FFAAHM Cc1nc(-c2cc(=O)[n-]c(-c3ccc(CN4CCOCC4)cc3)n2)cs1 ZINC000019224109 211207434 /nfs/dbraw/zinc/20/74/34/211207434.db2.gz JOYBMOXKGAQUTA-UHFFFAOYSA-N -1 3 368.462 2.701 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000012936895 211010920 /nfs/dbraw/zinc/01/09/20/211010920.db2.gz NTDLLHSUFQRWNE-UHFFFAOYSA-N -1 3 354.237 2.943 50 0 FFAAHM O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccccc1[O-] ZINC000012858367 211000274 /nfs/dbraw/zinc/00/02/74/211000274.db2.gz LPAAVHFPIPAKCR-SNVBAGLBSA-N -1 3 366.468 2.565 50 0 FFAAHM O=C(Nc1ccc(F)cc1)c1ccccc1[N-]S(=O)(=O)N1CCCC1 ZINC000001062122 210312135 /nfs/dbraw/zinc/31/21/35/210312135.db2.gz VMWYCMGEHRKDPS-UHFFFAOYSA-N -1 3 363.414 2.831 50 0 FFAAHM Cc1nc(C2([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)CCCC2)no1 ZINC000041628882 220932389 /nfs/dbraw/zinc/93/23/89/220932389.db2.gz BANFCFPNMVSUHO-UHFFFAOYSA-N -1 3 359.810 2.918 50 0 FFAAHM O=C1[C@@H]([N-]S(=O)(=O)Cc2ccccc2Cl)CCN1c1ccccc1 ZINC000065229190 221182420 /nfs/dbraw/zinc/18/24/20/221182420.db2.gz QEWCLAQQYJGGMN-INIZCTEOSA-N -1 3 364.854 2.565 50 0 FFAAHM CN(C)Cc1ccccc1CN(C)c1nc(N)nc2ccc(C(=O)[O-])cc21 ZINC000065499131 221227369 /nfs/dbraw/zinc/22/73/69/221227369.db2.gz KWUKARLLKMJYAD-UHFFFAOYSA-N -1 3 365.437 2.608 50 0 FFAAHM COC(=O)c1[n-]nc2c1[C@H](c1ccc(Oc3ccccc3)nc1)CC(=O)N2 ZINC000065526249 221229381 /nfs/dbraw/zinc/22/93/81/221229381.db2.gz SXMROGOCGJULGM-ZDUSSCGKSA-N -1 3 364.361 2.858 50 0 FFAAHM COC(=O)c1n[n-]c2c1[C@H](c1ccc(Oc3ccccc3)nc1)CC(=O)N2 ZINC000065526249 221229385 /nfs/dbraw/zinc/22/93/85/221229385.db2.gz SXMROGOCGJULGM-ZDUSSCGKSA-N -1 3 364.361 2.858 50 0 FFAAHM CCc1nn(-c2ccccc2)c(NC(=O)Cc2c(C)nc(C)[n-]c2=O)c1C ZINC000067587589 221260401 /nfs/dbraw/zinc/26/04/01/221260401.db2.gz DPLPPKMAMODXTP-UHFFFAOYSA-N -1 3 365.437 2.624 50 0 FFAAHM CCc1c[nH]nc1C1CCN(C(=O)c2c[n-]c3c(F)cccc3c2=O)CC1 ZINC000067817627 221289771 /nfs/dbraw/zinc/28/97/71/221289771.db2.gz UTCMYGVTIIMZGY-UHFFFAOYSA-N -1 3 368.412 2.973 50 0 FFAAHM Cc1ccc(-c2ccnc(NCc3cccc(-c4nnn[n-]4)c3)n2)c(C)n1 ZINC000071748428 221359685 /nfs/dbraw/zinc/35/96/85/221359685.db2.gz HWKBGPSINUQVLS-UHFFFAOYSA-N -1 3 358.409 2.948 50 0 FFAAHM Cc1ccc(-c2ccnc(NCc3cccc(-c4nn[n-]n4)c3)n2)c(C)n1 ZINC000071748428 221359687 /nfs/dbraw/zinc/35/96/87/221359687.db2.gz HWKBGPSINUQVLS-UHFFFAOYSA-N -1 3 358.409 2.948 50 0 FFAAHM Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000071760201 221366565 /nfs/dbraw/zinc/36/65/65/221366565.db2.gz UMYVRRPGQJXLFO-OAHLLOKOSA-N -1 3 362.433 2.564 50 0 FFAAHM O=C([O-])COc1ccccc1CN1CCC2(CC1)c1ccccc1C[C@@H]2O ZINC000072165506 221441210 /nfs/dbraw/zinc/44/12/10/221441210.db2.gz TWZKRICWUWTNKL-FQEVSTJZSA-N -1 3 367.445 2.601 50 0 FFAAHM C[C@@H]1CN(C2CCN(c3ncc(C(=O)[O-])cc3Cl)CC2)C[C@H](C)O1 ZINC000095365846 132208083 /nfs/dbraw/zinc/20/80/83/132208083.db2.gz MJGCRFXOKLSUNQ-TXEJJXNPSA-N -1 3 353.850 2.511 50 0 FFAAHM C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc([O-])ccc1Cl ZINC000225474697 132284965 /nfs/dbraw/zinc/28/49/65/132284965.db2.gz HMEIIWIRTHDCLG-HNNXBMFYSA-N -1 3 373.884 2.986 50 0 FFAAHM O=C([O-])[C@]1(c2ccccc2)CCN(Cc2cnc(N3CCCCC3)nc2)C1 ZINC000252489535 132292555 /nfs/dbraw/zinc/29/25/55/132292555.db2.gz JSVKMZAHBHVJBR-OAQYLSRUSA-N -1 3 366.465 2.695 50 0 FFAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)CSCc3ccccc3)CC2)n1 ZINC000253537696 132377310 /nfs/dbraw/zinc/37/73/10/132377310.db2.gz KOYNWCMEXBKSFS-UHFFFAOYSA-N -1 3 372.494 2.509 50 0 FFAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1F)OC ZINC000096385051 222118011 /nfs/dbraw/zinc/11/80/11/222118011.db2.gz SZAUSMGOEQFXEQ-QGZVFWFLSA-N -1 3 371.405 2.781 50 0 FFAAHM CC(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccc3n[n-]nc3c2)c1 ZINC000097001857 222149778 /nfs/dbraw/zinc/14/97/78/222149778.db2.gz ALBSOVBATMPUGO-UHFFFAOYSA-N -1 3 358.423 2.533 50 0 FFAAHM COc1cc(C(=O)NCCOc2ncc(Cl)cc2Cl)ccc1[O-] ZINC000097080118 222157117 /nfs/dbraw/zinc/15/71/17/222157117.db2.gz UDZMIAKQXLLMEI-UHFFFAOYSA-N -1 3 357.193 2.911 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100563697 222246490 /nfs/dbraw/zinc/24/64/90/222246490.db2.gz IAZHVPYUXPUGMK-NVXWUHKLSA-N -1 3 367.792 2.663 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N(C)Cc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000032841457 506303786 /nfs/dbraw/zinc/30/37/86/506303786.db2.gz GOHNUAYJBVNZCJ-UHFFFAOYSA-N -1 3 367.371 2.997 50 0 FFAAHM Cc1cccc(C(=O)NC2CCN(CC(=O)Nc3ccccc3)CC2)c1[O-] ZINC000032893714 506307644 /nfs/dbraw/zinc/30/76/44/506307644.db2.gz NVXGOBHSIGZMRN-UHFFFAOYSA-N -1 3 367.449 2.534 50 0 FFAAHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1ccc(C(F)(F)F)cc1 ZINC000004249630 506365879 /nfs/dbraw/zinc/36/58/79/506365879.db2.gz IWYDBLLRZREBFN-UHFFFAOYSA-N -1 3 369.328 2.808 50 0 FFAAHM CCc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCC(=O)N4CC3)cc1 ZINC000005153547 506425553 /nfs/dbraw/zinc/42/55/53/506425553.db2.gz GMJMOGJGVNUNKX-UHFFFAOYSA-N -1 3 356.447 2.885 50 0 FFAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cc(F)ccc1F)c1ccccc1 ZINC000040005518 506458124 /nfs/dbraw/zinc/45/81/24/506458124.db2.gz DXKVTFCYVVOYHH-CQSZACIVSA-N -1 3 355.362 2.548 50 0 FFAAHM Cc1cc(C)c(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c(Cl)c1 ZINC000006650138 506494476 /nfs/dbraw/zinc/49/44/76/506494476.db2.gz KUDBNFHEPZPNMV-UHFFFAOYSA-N -1 3 357.797 2.599 50 0 FFAAHM CCc1nnc([N-]C(=O)c2sc3nc4c(cc3c2N)CN(C)CC4)s1 ZINC000006697394 506498571 /nfs/dbraw/zinc/49/85/71/506498571.db2.gz IUTJCJHEEFRPRY-UHFFFAOYSA-N -1 3 374.495 2.533 50 0 FFAAHM Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(N)=O)c2)c1 ZINC000007782842 506589873 /nfs/dbraw/zinc/58/98/73/506589873.db2.gz LWRICNBOQPYYIT-UHFFFAOYSA-N -1 3 369.240 2.657 50 0 FFAAHM CCC(CC)N(Cc1ccc2c(c1)OCO2)C(=O)c1cnc(C)[n-]c1=O ZINC000055041969 506665217 /nfs/dbraw/zinc/66/52/17/506665217.db2.gz GCYSMTDSSBNBAF-UHFFFAOYSA-N -1 3 357.410 2.638 50 0 FFAAHM Cc1ccc(Nc2nc(Oc3ccc(=O)[n-]n3)nc(N(C)C)n2)cc1C ZINC000009185208 506685562 /nfs/dbraw/zinc/68/55/62/506685562.db2.gz ITFODLBKMYLOLI-UHFFFAOYSA-N -1 3 353.386 2.586 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CC(=O)N=c3[nH]c4ccccc4[nH]3)c(=O)oc12 ZINC000009418995 506694925 /nfs/dbraw/zinc/69/49/25/506694925.db2.gz JAHAENPWNHIDTO-UHFFFAOYSA-N -1 3 363.373 2.595 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)n3C)c(C)c1 ZINC000009526588 506700884 /nfs/dbraw/zinc/70/08/84/506700884.db2.gz AJGBVZYORGQELD-UHFFFAOYSA-N -1 3 373.478 2.911 50 0 FFAAHM O=C(c1ccc(S(=O)(=O)[N-]CCc2ccccc2)s1)N1CCCC1 ZINC000009748540 506710543 /nfs/dbraw/zinc/71/05/43/506710543.db2.gz GBDADQAXUPOZEU-UHFFFAOYSA-N -1 3 364.492 2.505 50 0 FFAAHM Cc1cccc(C(=O)N2CCC([N-]S(=O)(=O)c3cccs3)CC2)c1 ZINC000011450816 506776459 /nfs/dbraw/zinc/77/64/59/506776459.db2.gz JRUKHYLORAGTBA-UHFFFAOYSA-N -1 3 364.492 2.640 50 0 FFAAHM COc1ccc(C(=O)NCc2ccc(Cn3ccccc3=O)cc2)c([O-])c1 ZINC000055623756 506801829 /nfs/dbraw/zinc/80/18/29/506801829.db2.gz GPSOGTFTHRKYEM-UHFFFAOYSA-N -1 3 364.401 2.541 50 0 FFAAHM O=S(=O)([N-]c1ccc2nsnc2c1)c1ccc(-n2cccn2)cc1 ZINC000012340918 506853658 /nfs/dbraw/zinc/85/36/58/506853658.db2.gz TWTHNJHNTMKJPY-UHFFFAOYSA-N -1 3 357.420 2.678 50 0 FFAAHM Cc1cc2c([nH]c(CSCC(=O)Nc3ccccc3[O-])nc2=O)s1 ZINC000044889930 506896920 /nfs/dbraw/zinc/89/69/20/506896920.db2.gz YHPZTMCXZFCVAQ-UHFFFAOYSA-N -1 3 361.448 2.871 50 0 FFAAHM CN1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3[O-])cn2)CC1 ZINC000014093838 506963547 /nfs/dbraw/zinc/96/35/47/506963547.db2.gz LHRMJZVJHDFCSR-UHFFFAOYSA-N -1 3 362.433 2.945 50 0 FFAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)cc1F)c1cccc(F)c1 ZINC000047032701 507253806 /nfs/dbraw/zinc/25/38/06/507253806.db2.gz ROOQXNFMZBUTCR-OAHLLOKOSA-N -1 3 358.385 2.685 50 0 FFAAHM CCc1nc2sc([C@H](c3ccccc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855157 507315271 /nfs/dbraw/zinc/31/52/71/507315271.db2.gz GLTXWNWBTOACAL-HNNXBMFYSA-N -1 3 358.467 2.605 50 0 FFAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1cccs1 ZINC000024485447 507416853 /nfs/dbraw/zinc/41/68/53/507416853.db2.gz XQWLEOZFRWABKZ-AWEZNQCLSA-N -1 3 367.448 2.533 50 0 FFAAHM Cc1nc(-c2ccccc2)[n-]c(=O)c1CCC(=O)NOCc1ccccc1 ZINC000025285489 507482940 /nfs/dbraw/zinc/48/29/40/507482940.db2.gz GIMGFLZQXHSHBB-UHFFFAOYSA-N -1 3 363.417 2.926 50 0 FFAAHM CCOc1ncccc1[C@@H](C(=O)[O-])N1CCCN(c2ccccc2)CC1 ZINC000095371843 508178739 /nfs/dbraw/zinc/17/87/39/508178739.db2.gz MFVLIUBCTKRLKK-SFHVURJKSA-N -1 3 355.438 2.818 50 0 FFAAHM CN(Cc1ccc2nsnc2c1)[C@H](C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000095384280 508182323 /nfs/dbraw/zinc/18/23/23/508182323.db2.gz BUTAHAKAFOCHQN-KRWDZBQOSA-N -1 3 371.418 2.720 50 0 FFAAHM COC(=O)C[C@@H](c1cc2c(c(Cl)c1)OCO2)c1oc(C)cc(=O)c1[O-] ZINC000095475384 508188647 /nfs/dbraw/zinc/18/86/47/508188647.db2.gz CQFQINVFTJPNSL-JTQLQIEISA-N -1 3 366.753 2.731 50 0 FFAAHM c1cn(Cc2cccc(-c3nnn[n-]3)c2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000077407371 508312498 /nfs/dbraw/zinc/31/24/98/508312498.db2.gz RPLMJOPJMPEESC-UHFFFAOYSA-N -1 3 360.377 2.550 50 0 FFAAHM c1cn(Cc2cccc(-c3nn[n-]n3)c2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000077407371 508312501 /nfs/dbraw/zinc/31/25/01/508312501.db2.gz RPLMJOPJMPEESC-UHFFFAOYSA-N -1 3 360.377 2.550 50 0 FFAAHM Cc1ccc2nc(C)cc(C(=O)N3CCC[C@@H](c4cc(=O)[n-]cn4)C3)c2c1 ZINC000077470268 508319975 /nfs/dbraw/zinc/31/99/75/508319975.db2.gz YHQMIEBMQJHWIW-OAHLLOKOSA-N -1 3 362.433 2.955 50 0 FFAAHM C[C@@]1(c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)NC(=O)[N-]C1=O ZINC000267262733 509415124 /nfs/dbraw/zinc/41/51/24/509415124.db2.gz QLFCGKVTROGYFT-BEFAXECRSA-N -1 3 369.446 2.780 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)on1 ZINC000182815556 509438911 /nfs/dbraw/zinc/43/89/11/509438911.db2.gz NOFFUKZXGBJVCS-NEPJUHHUSA-N -1 3 371.363 2.862 50 0 FFAAHM CCc1cnc(C[N-]S(=O)(=O)c2cc(Br)ccc2C)o1 ZINC000170598303 509675637 /nfs/dbraw/zinc/67/56/37/509675637.db2.gz MXLJSDWCYGBPGZ-UHFFFAOYSA-N -1 3 359.245 2.786 50 0 FFAAHM Cc1oc2c(c1C(=O)N1CCC[C@H](c3cc(=O)[n-]c(C)n3)C1)C(=O)CCC2 ZINC000244715922 509865607 /nfs/dbraw/zinc/86/56/07/509865607.db2.gz LERDQKBVHWPNLV-ZDUSSCGKSA-N -1 3 369.421 2.931 50 0 FFAAHM C[C@@H](NC(=O)c1c[n-]c2c(F)cccc2c1=O)c1nnc2ccccn21 ZINC000253496401 509886308 /nfs/dbraw/zinc/88/63/08/509886308.db2.gz VBILLDNLNVVJLV-SNVBAGLBSA-N -1 3 351.341 2.613 50 0 FFAAHM Cc1[nH]c(=O)[n-]c(=O)c1-c1ccc(C(=O)N[C@H](CO)C2CCCCC2)cc1 ZINC000426360232 513913087 /nfs/dbraw/zinc/91/30/87/513913087.db2.gz PGLWVUUIFMCFDU-MRXNPFEDSA-N -1 3 371.437 2.534 50 0 FFAAHM COc1ccc(Cn2[n-]ccc2=NC(=O)c2cccc(F)c2)c(OC)c1 ZINC000606348205 521032753 /nfs/dbraw/zinc/03/27/53/521032753.db2.gz ROAUHMBVHOZANA-UHFFFAOYSA-N -1 3 355.369 2.762 50 0 FFAAHM CCc1nccn1CCCNC(=O)c1cnc(-c2cccc(C)c2)[n-]c1=O ZINC000082098642 522582276 /nfs/dbraw/zinc/58/22/76/522582276.db2.gz ABTZRUOSLDITPZ-UHFFFAOYSA-N -1 3 365.437 2.737 50 0 FFAAHM Cc1c(-c2nsc([N-]C(=O)c3ccco3)n2)nnn1-c1ccccc1 ZINC000020848769 525513607 /nfs/dbraw/zinc/51/36/07/525513607.db2.gz NUHKJXNOADCVRQ-UHFFFAOYSA-N -1 3 352.379 2.940 50 0 FFAAHM O=C(C[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)NC1CCCCC1 ZINC000078716792 526885121 /nfs/dbraw/zinc/88/51/21/526885121.db2.gz UNEKTPYASUDJDM-UHFFFAOYSA-N -1 3 365.282 2.721 50 0 FFAAHM O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1cc(Cl)ccc1[O-] ZINC000206236676 570641533 /nfs/dbraw/zinc/64/15/33/570641533.db2.gz YDPXTKJERKIYRV-ZDUSSCGKSA-N -1 3 373.796 2.515 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)NC[C@H](C)c2cccc(C)c2)ccc1F ZINC000084190058 728418395 /nfs/dbraw/zinc/41/83/95/728418395.db2.gz USGCKPRLYVESRJ-ZDUSSCGKSA-N -1 3 364.442 2.576 50 0 FFAAHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC001506417208 1059506663 /nfs/dbraw/zinc/50/66/63/1059506663.db2.gz OOJAULXFBXJCMP-LJQANCHMSA-N -1 3 368.824 2.881 50 0 FFAAHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCN1CCC(c2ccccc2)CC1 ZINC000299789361 210030738 /nfs/dbraw/zinc/03/07/38/210030738.db2.gz YGRKXVRTZCCNFY-UHFFFAOYSA-N -1 3 369.465 2.939 50 0 FFAAHM Cc1ccc(CN2CCC(CNC(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC2)o1 ZINC000299761332 210011412 /nfs/dbraw/zinc/01/14/12/210011412.db2.gz VDDWQXKFSUURKZ-UHFFFAOYSA-N -1 3 373.453 2.873 50 0 FFAAHM CSc1ncccc1C(=O)NCc1cc(=O)[n-]c(CC2=CCCCC2)n1 ZINC000063834684 212033331 /nfs/dbraw/zinc/03/33/31/212033331.db2.gz GEZXLTIDYFOCCR-UHFFFAOYSA-N -1 3 370.478 2.860 50 0 FFAAHM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013320385 220063742 /nfs/dbraw/zinc/06/37/42/220063742.db2.gz RWTFGPBWNHEDSV-OTGCGEFBSA-N -1 3 370.493 2.904 50 0 FFAAHM Cc1nnc([N-]C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)s1 ZINC000023761122 211394448 /nfs/dbraw/zinc/39/44/48/211394448.db2.gz IRNGVDGRVXBZOB-UHFFFAOYSA-N -1 3 363.420 2.666 50 0 FFAAHM O=C1CCCC[C@@H]1Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000023559745 211391318 /nfs/dbraw/zinc/39/13/18/211391318.db2.gz GEKZGXZFKLOBRM-LBPRGKRZSA-N -1 3 372.450 2.708 50 0 FFAAHM CCOC(=O)c1c(C)oc2nc(CN3CCc4ccccc4C3)[n-]c(=O)c21 ZINC000020962541 211301804 /nfs/dbraw/zinc/30/18/04/211301804.db2.gz BPPNVSNZZWTBOH-UHFFFAOYSA-N -1 3 367.405 2.560 50 0 FFAAHM COC(=O)C1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000020746130 211295585 /nfs/dbraw/zinc/29/55/85/211295585.db2.gz JFDJWEXZZMBSGP-HNNXBMFYSA-N -1 3 350.802 2.832 50 0 FFAAHM O=c1ccc(-c2ccc(S(=O)(=O)[N-]C3CCCCCCC3)s2)n[nH]1 ZINC000020574709 211287138 /nfs/dbraw/zinc/28/71/38/211287138.db2.gz WEHGTUIEOZALAU-UHFFFAOYSA-N -1 3 367.496 2.890 50 0 FFAAHM COc1ccc(OCCN2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000012998684 211016642 /nfs/dbraw/zinc/01/66/42/211016642.db2.gz IBPPOYCRWUEXIO-UHFFFAOYSA-N -1 3 370.449 2.546 50 0 FFAAHM CCCCOCCCNC(=O)C(=C([O-])c1ccccc1)n1ccccc1=O ZINC000004672022 210548300 /nfs/dbraw/zinc/54/83/00/210548300.db2.gz YQODGFOVYBOSTB-LJQANCHMSA-N -1 3 370.449 2.595 50 0 FFAAHM CCOC(=O)N[C@]([N-]c1ccc(Cl)cc1)(C(=O)OC)C(F)(F)F ZINC000002322820 210392132 /nfs/dbraw/zinc/39/21/32/210392132.db2.gz JRICFEZLPKGDFQ-GFCCVEGCSA-N -1 3 354.712 2.930 50 0 FFAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@](C)(c2ccc(Br)cc2)S1 ZINC000001409736 210350577 /nfs/dbraw/zinc/35/05/77/210350577.db2.gz YINLLMOBVORZRK-CYBMUJFWSA-N -1 3 356.245 2.624 50 0 FFAAHM COC[C@@H](C)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000009544469 210286311 /nfs/dbraw/zinc/28/63/11/210286311.db2.gz RUKXRAZZGLFWBF-SECBINFHSA-N -1 3 356.448 2.664 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cc1Cl ZINC000000886252 210287074 /nfs/dbraw/zinc/28/70/74/210287074.db2.gz HFJDYYMZYXICGJ-UHFFFAOYSA-N -1 3 355.799 2.921 50 0 FFAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc(Cl)c1[O-] ZINC000000861556 210281728 /nfs/dbraw/zinc/28/17/28/210281728.db2.gz SLYFSDAAPJHQSU-AWEZNQCLSA-N -1 3 368.817 2.881 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000000851090 210280506 /nfs/dbraw/zinc/28/05/06/210280506.db2.gz RUYAHFBRRMXRTK-UHFFFAOYSA-N -1 3 355.799 2.556 50 0 FFAAHM Cc1c([O-])ccc2c(Cn3c(=O)onc3-c3ccccc3)cc(=O)oc12 ZINC000065722989 221235669 /nfs/dbraw/zinc/23/56/69/221235669.db2.gz VGCBYFXYTUCTND-UHFFFAOYSA-N -1 3 350.330 2.672 50 0 FFAAHM CCC[C@H]1CCc2sc(C(=O)N3CCc4c(=O)[n-]cnc4C3)cc2C1 ZINC000071415569 221346832 /nfs/dbraw/zinc/34/68/32/221346832.db2.gz IXHVVOKOAOABHF-LBPRGKRZSA-N -1 3 357.479 2.935 50 0 FFAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c1 ZINC000007109203 132839254 /nfs/dbraw/zinc/83/92/54/132839254.db2.gz JCQKEPFNKKJBFL-UHFFFAOYSA-N -1 3 359.495 2.856 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)c(C)c1 ZINC000072264748 136143893 /nfs/dbraw/zinc/14/38/93/136143893.db2.gz HOCPLVWJUURUBW-UHFFFAOYSA-N -1 3 360.435 2.713 50 0 FFAAHM Cc1cnn(C2(C(=O)[O-])CCN(Cc3nc4ccccc4nc3C)CC2)c1 ZINC000077454245 221629747 /nfs/dbraw/zinc/62/97/47/221629747.db2.gz DFZFLGFPPRPXOF-UHFFFAOYSA-N -1 3 365.437 2.519 50 0 FFAAHM CCOc1ccc([C@H](C)NC(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC000097532486 222190020 /nfs/dbraw/zinc/19/00/20/222190020.db2.gz FUFGXHVFXKZJJS-NSHDSACASA-N -1 3 355.373 2.896 50 0 FFAAHM CCOc1ccc([C@H](C)NC(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC000097532486 222190022 /nfs/dbraw/zinc/19/00/22/222190022.db2.gz FUFGXHVFXKZJJS-NSHDSACASA-N -1 3 355.373 2.896 50 0 FFAAHM C[C@H]1CN(C)CCCN1Cc1cc(-c2ccccn2)ccc1OCC(=O)[O-] ZINC000097635003 222199985 /nfs/dbraw/zinc/19/99/85/222199985.db2.gz HHDJORADBKQHPP-INIZCTEOSA-N -1 3 369.465 2.738 50 0 FFAAHM O=C1[C@@H]2C(c3cccnc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000101239304 222266184 /nfs/dbraw/zinc/26/61/84/222266184.db2.gz SPMGQJALCBNZAT-OCCSQVGLSA-N -1 3 362.172 2.681 50 0 FFAAHM CN1CCC(N2CCN(Cc3c(Cl)ccc([O-])c3Cl)CC2)CC1 ZINC000097831189 222216324 /nfs/dbraw/zinc/21/63/24/222216324.db2.gz NENXXTQXYXFXGT-UHFFFAOYSA-N -1 3 358.313 2.911 50 0 FFAAHM CCOc1cc([C@@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000002125671 506272186 /nfs/dbraw/zinc/27/21/86/506272186.db2.gz PPNKTDMWBDVVMC-QAPCUYQASA-N -1 3 352.390 2.961 50 0 biogenic FFAAHM Cc1ccc(NC(=O)COc2ccc(Cl)cc2-n2cnnc2)c([O-])c1 ZINC000032646729 506273960 /nfs/dbraw/zinc/27/39/60/506273960.db2.gz XCFKUESWDVXZPH-UHFFFAOYSA-N -1 3 358.785 2.952 50 0 FFAAHM COC(=O)[C@@H](CC(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002992885 506305039 /nfs/dbraw/zinc/30/50/39/506305039.db2.gz AWPTYOIRPZBHKM-LLVKDONJSA-N -1 3 354.255 2.859 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCc3ccncc3)c(=O)oc12 ZINC000004000280 506353811 /nfs/dbraw/zinc/35/38/11/506353811.db2.gz RYFOFULNFACTBN-UHFFFAOYSA-N -1 3 352.390 2.759 50 0 biogenic FFAAHM O=S(=O)([N-][C@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000034200746 506366265 /nfs/dbraw/zinc/36/62/65/506366265.db2.gz CABQFYUGTZDJGO-ZDUSSCGKSA-N -1 3 356.900 2.954 50 0 FFAAHM COc1ccc(C(=O)N2NC(C(C)C)=C[C@]2([O-])C(F)(F)F)cc1OC ZINC000004321055 506371099 /nfs/dbraw/zinc/37/10/99/506371099.db2.gz VKIIYFKATFQOSA-HNNXBMFYSA-N -1 3 360.332 2.813 50 0 FFAAHM O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(-c2nnn[n-]2)cc1 ZINC000004502102 506379550 /nfs/dbraw/zinc/37/95/50/506379550.db2.gz QXRSTUFNNGGLOA-UHFFFAOYSA-N -1 3 363.402 2.729 50 0 FFAAHM O=S1(=O)c2cccc3cccc(c23)N1Cc1ccc(-c2nn[n-]n2)cc1 ZINC000004502102 506379555 /nfs/dbraw/zinc/37/95/55/506379555.db2.gz QXRSTUFNNGGLOA-UHFFFAOYSA-N -1 3 363.402 2.729 50 0 FFAAHM CCCS(=O)(=O)c1ncc(Cl)c(C(=O)[N-]c2ccccc2F)n1 ZINC000004840060 506398247 /nfs/dbraw/zinc/39/82/47/506398247.db2.gz YIPBIVLFXSVYMU-UHFFFAOYSA-N -1 3 357.794 2.705 50 0 FFAAHM COc1ccc(-n2nnc(C(=O)[N-]c3nnc(C(C)C)s3)c2C)cc1 ZINC000004938686 506408302 /nfs/dbraw/zinc/40/83/02/506408302.db2.gz VXFNLZMMMLOEFX-UHFFFAOYSA-N -1 3 358.427 2.812 50 0 FFAAHM CC(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)[N-][C@]1(O)C(F)(F)F ZINC000005613405 506450271 /nfs/dbraw/zinc/45/02/71/506450271.db2.gz XTKAMUGCTADIQP-CKYFFXLPSA-N -1 3 370.249 2.515 50 0 FFAAHM Cc1cc(C)n2nc(C[N-]S(=O)(=O)c3ccc(C(C)(C)C)cc3)nc2n1 ZINC000006808169 506509303 /nfs/dbraw/zinc/50/93/03/506509303.db2.gz VGJMSUGEIMXECB-UHFFFAOYSA-N -1 3 373.482 2.517 50 0 FFAAHM CN1CCN(C(=O)c2oc3ccccc3c2[N-]C(=O)c2ccco2)CC1 ZINC000007001648 506524330 /nfs/dbraw/zinc/52/43/30/506524330.db2.gz FQIARVGHDWFYLX-UHFFFAOYSA-N -1 3 353.378 2.666 50 0 FFAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000007051837 506528871 /nfs/dbraw/zinc/52/88/71/506528871.db2.gz FKOFGYNELAFRIZ-UHFFFAOYSA-N -1 3 357.439 2.761 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]c2ccccc2)ccc1OCC(=O)N1CCCC1 ZINC000007361758 506556631 /nfs/dbraw/zinc/55/66/31/506556631.db2.gz CTAHNSMXINLYRB-UHFFFAOYSA-N -1 3 374.462 2.797 50 0 FFAAHM Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2CCc2ccc(O)cc2)c(=O)[n-]1 ZINC000055269950 506714754 /nfs/dbraw/zinc/71/47/54/506714754.db2.gz QPMDOQKZFRFNAY-QGZVFWFLSA-N -1 3 369.465 2.649 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000055284287 506718516 /nfs/dbraw/zinc/71/85/16/506718516.db2.gz UBXCJEQLUPGZPN-NSHDSACASA-N -1 3 367.405 2.726 50 0 FFAAHM C[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)N1CCOCC1 ZINC000010316340 506737232 /nfs/dbraw/zinc/73/72/32/506737232.db2.gz JYQQAPMPRXBQQU-JTQLQIEISA-N -1 3 368.459 2.760 50 0 FFAAHM COc1ccc(-c2noc(CCC(=O)[N-]OCc3ccccc3)n2)cc1 ZINC000010319636 506737390 /nfs/dbraw/zinc/73/73/90/506737390.db2.gz ZMGFDJFCVLOAQD-UHFFFAOYSA-N -1 3 353.378 2.926 50 0 FFAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(F)c(F)c1 ZINC000010959011 506760051 /nfs/dbraw/zinc/76/00/51/506760051.db2.gz OVJOXWWDTGSWIW-UHFFFAOYSA-N -1 3 363.389 2.688 50 0 FFAAHM CN(Cc1ccc(C(C)(C)C)cc1)C(=O)CCc1n[n-]c(=S)[nH]c1=O ZINC000011333796 506773608 /nfs/dbraw/zinc/77/36/08/506773608.db2.gz SOFUUIYVLHIWFU-UHFFFAOYSA-N -1 3 360.483 2.716 50 0 FFAAHM COC(=O)C[C@@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000046017694 507062692 /nfs/dbraw/zinc/06/26/92/507062692.db2.gz PMUXVDUPPJCAAI-QGZVFWFLSA-N -1 3 350.374 2.562 50 0 FFAAHM O=C(CCCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000056973018 507136323 /nfs/dbraw/zinc/13/63/23/507136323.db2.gz AOKPVVZVQSJQHA-UHFFFAOYSA-N -1 3 374.462 2.894 50 0 FFAAHM O=c1ccc2cc([N-]S(=O)(=O)c3ccc4oc(=O)ccc4c3)ccc2o1 ZINC000057119913 507175811 /nfs/dbraw/zinc/17/58/11/507175811.db2.gz GHXLBEXKBKQXQR-UHFFFAOYSA-N -1 3 369.354 2.700 50 0 FFAAHM COC(=O)c1sc2[n-]c(CN(C)Cc3ccsc3)nc(=O)c2c1C ZINC000057315498 507237063 /nfs/dbraw/zinc/23/70/63/507237063.db2.gz CHPYEJNYIAQYMJ-UHFFFAOYSA-N -1 3 363.464 2.773 50 0 FFAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)OC[C@H]3CCCO3)c2)n1 ZINC000058023801 507366211 /nfs/dbraw/zinc/36/62/11/507366211.db2.gz VZACJAQSFCBOQN-SUMWQHHRSA-N -1 3 371.437 2.522 50 0 FFAAHM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)c(F)cc1F ZINC000024428172 507410918 /nfs/dbraw/zinc/41/09/18/507410918.db2.gz PLSLDZLNHLWPPX-UHFFFAOYSA-N -1 3 369.345 2.755 50 0 FFAAHM COCCCn1c(=O)[n-]nc1S[C@H](C)C(=O)c1c[nH]c2ccccc21 ZINC000024502602 507418609 /nfs/dbraw/zinc/41/86/09/507418609.db2.gz RBPJKPBEDYIOQL-LLVKDONJSA-N -1 3 360.439 2.865 50 0 FFAAHM Cc1nc(C2CCN(Cc3nc(-c4ccccc4)no3)CC2)cc(=O)[n-]1 ZINC000072129552 507753342 /nfs/dbraw/zinc/75/33/42/507753342.db2.gz KFOMHRDYFDCGSR-UHFFFAOYSA-N -1 3 351.410 2.920 50 0 FFAAHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nnc(C(F)(F)F)[n-]1 ZINC000029389810 507776712 /nfs/dbraw/zinc/77/67/12/507776712.db2.gz XPPSBJXBTFPMNB-UHFFFAOYSA-N -1 3 351.288 2.968 50 0 FFAAHM Cc1oc(-c2ccccc2)nc1CC(=O)Nc1nc(C(F)(F)F)n[n-]1 ZINC000029389810 507776714 /nfs/dbraw/zinc/77/67/14/507776714.db2.gz XPPSBJXBTFPMNB-UHFFFAOYSA-N -1 3 351.288 2.968 50 0 FFAAHM O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1cccc(F)c1)CC2 ZINC000072410881 507785417 /nfs/dbraw/zinc/78/54/17/507785417.db2.gz DVQMGAGMYDPHRB-KRWDZBQOSA-N -1 3 360.429 2.503 50 0 FFAAHM CCOc1ccc(-c2ccnc(N[C@H]3CCCN(C)C3)n2)cc1C(=O)[O-] ZINC000072431457 507789862 /nfs/dbraw/zinc/78/98/62/507789862.db2.gz IKYJDFSHGURNCW-AWEZNQCLSA-N -1 3 356.426 2.747 50 0 FFAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000072468435 507794417 /nfs/dbraw/zinc/79/44/17/507794417.db2.gz SNWCJIIJTUSNNX-QGZVFWFLSA-N -1 3 367.380 2.859 50 0 FFAAHM COC(=O)c1cc(S(=O)(=O)[N-][C@H](C)C(C)C)c(Br)s1 ZINC000030290371 507805850 /nfs/dbraw/zinc/80/58/50/507805850.db2.gz OYYXFQYYAAWAKO-SSDOTTSWSA-N -1 3 370.290 2.620 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ncc2ccccn21 ZINC000031773201 507821637 /nfs/dbraw/zinc/82/16/37/507821637.db2.gz UCWIOOKMPQQYJT-UHFFFAOYSA-N -1 3 365.842 2.517 50 0 FFAAHM COCCn1cc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c2ccccc21 ZINC000079485328 507966922 /nfs/dbraw/zinc/96/69/22/507966922.db2.gz KGVXCVOVNMNUFH-UHFFFAOYSA-N -1 3 353.304 2.677 50 0 FFAAHM COCCn1cc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c2ccccc21 ZINC000079485328 507966924 /nfs/dbraw/zinc/96/69/24/507966924.db2.gz KGVXCVOVNMNUFH-UHFFFAOYSA-N -1 3 353.304 2.677 50 0 FFAAHM COc1ccc(CN2C[C@H]3CC[C@H](CN3C(=O)c3ncccc3[O-])C2)cc1 ZINC000091626387 507997870 /nfs/dbraw/zinc/99/78/70/507997870.db2.gz WJCYMXQJHLGPEW-DLBZAZTESA-N -1 3 367.449 2.532 50 0 FFAAHM O=C([O-])CN1CC2(CCC1=O)CCN(Cc1ccc3ccccc3n1)CC2 ZINC000091952373 508026830 /nfs/dbraw/zinc/02/68/30/508026830.db2.gz PUSSDNFMXSTYSM-UHFFFAOYSA-N -1 3 367.449 2.524 50 0 FFAAHM CCCCn1ccnc1[C@@H]1CCCN(Cc2cc(=O)n3[n-]c(C)cc3n2)C1 ZINC000095356055 508174655 /nfs/dbraw/zinc/17/46/55/508174655.db2.gz CRATWQDWKJMLPS-MRXNPFEDSA-N -1 3 368.485 2.707 50 0 FFAAHM COc1cc(F)ccc1[C@H](C(=O)[O-])N1CCN(C2CCCCC2)CC1 ZINC000095366751 508177774 /nfs/dbraw/zinc/17/77/74/508177774.db2.gz GALQDRWRCNNPGX-GOSISDBHSA-N -1 3 350.434 2.910 50 0 FFAAHM COc1cc(F)ccc1[C@@H](C(=O)[O-])N1CCCN(Cc2ccncc2)CC1 ZINC000095386386 508182933 /nfs/dbraw/zinc/18/29/33/508182933.db2.gz PZBGORZHZJNNNQ-IBGZPJMESA-N -1 3 373.428 2.563 50 0 FFAAHM Cc1ccccc1OC1CCN(C(=O)c2ccccc2-c2nnn[n-]2)CC1 ZINC000077440457 508316281 /nfs/dbraw/zinc/31/62/81/508316281.db2.gz ZEYPGKAINZKMSX-UHFFFAOYSA-N -1 3 363.421 2.859 50 0 FFAAHM Cc1ccccc1OC1CCN(C(=O)c2ccccc2-c2nn[n-]n2)CC1 ZINC000077440457 508316285 /nfs/dbraw/zinc/31/62/85/508316285.db2.gz ZEYPGKAINZKMSX-UHFFFAOYSA-N -1 3 363.421 2.859 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@H](CCO)c1ccccc1 ZINC000206627075 509236857 /nfs/dbraw/zinc/23/68/57/509236857.db2.gz WSAFUBZPHDRNSN-OAHLLOKOSA-N -1 3 367.442 2.669 50 0 FFAAHM Cc1cccc(C(=O)N2CCc3[nH]c(-c4cccc(CO)c4)nc3C2)c1[O-] ZINC000222370985 509313611 /nfs/dbraw/zinc/31/36/11/509313611.db2.gz JUJFTFWIRYGWGC-UHFFFAOYSA-N -1 3 363.417 2.782 50 0 FFAAHM Cc1cccc(C(=O)N2CCc3nc(-c4cccc(CO)c4)[nH]c3C2)c1[O-] ZINC000222370985 509313619 /nfs/dbraw/zinc/31/36/19/509313619.db2.gz JUJFTFWIRYGWGC-UHFFFAOYSA-N -1 3 363.417 2.782 50 0 FFAAHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237046382 509558266 /nfs/dbraw/zinc/55/82/66/509558266.db2.gz YNKHDOXMYKFXEK-GDBMZVCRSA-N -1 3 350.434 2.749 50 0 FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000237127735 509577192 /nfs/dbraw/zinc/57/71/92/509577192.db2.gz IHHWJDHUHXPSAB-VXGBXAGGSA-N -1 3 359.253 2.572 50 0 FFAAHM COC(=O)[C@]12CCC[C@H]1CN(C(=O)c1c[n-]c3c(C)cccc3c1=O)C2 ZINC000166050546 509594078 /nfs/dbraw/zinc/59/40/78/509594078.db2.gz UAZSPGGPSREPHV-RBZFPXEDSA-N -1 3 354.406 2.664 50 0 FFAAHM O=C([O-])Cc1cc(C2CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)n[nH]1 ZINC000244899770 509877492 /nfs/dbraw/zinc/87/74/92/509877492.db2.gz ZPTYPUQEZURDAT-UHFFFAOYSA-N -1 3 371.466 2.868 50 0 FFAAHM NC(=O)[C@H]1CCCN(C(=O)c2cccc(-c3cc(F)c(F)cc3[O-])c2)C1 ZINC000426503101 513961804 /nfs/dbraw/zinc/96/18/04/513961804.db2.gz GQWNHDWRBHZTQL-ZDUSSCGKSA-N -1 3 360.360 2.675 50 0 FFAAHM CCOc1ccc(NC(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)cc1 ZINC000079110544 521085609 /nfs/dbraw/zinc/08/56/09/521085609.db2.gz KVBRDWYGTBMKCX-UHFFFAOYSA-N -1 3 369.421 2.781 50 0 FFAAHM Cc1cccc2nc(C(=O)OCC(=O)[N-]c3cc(C(C)(C)C)no3)cn21 ZINC000020077113 524977271 /nfs/dbraw/zinc/97/72/71/524977271.db2.gz WRGFPJLOCFLBPA-UHFFFAOYSA-N -1 3 356.382 2.724 50 0 FFAAHM Cc1nc(C2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)cc(=O)[n-]1 ZINC000091643653 526777172 /nfs/dbraw/zinc/77/71/72/526777172.db2.gz ZOAJRFFNLOZBNQ-QGZVFWFLSA-N -1 3 351.450 2.904 50 0 FFAAHM CCCNCc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[n-]c2n1 ZINC000101796802 570823842 /nfs/dbraw/zinc/82/38/42/570823842.db2.gz ZTQHVFLPGWQLDM-UHFFFAOYSA-N -1 3 354.458 2.653 50 0 FFAAHM CN1OC[C@H](S(=O)(=O)[N-]C2CCCCC2)[C@H]1c1cccc(F)c1F ZINC000248065102 571137095 /nfs/dbraw/zinc/13/70/95/571137095.db2.gz QVZMMGOIBNMXQW-GOEBONIOSA-N -1 3 360.426 2.504 50 0 FFAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@H](C)c1ccco1 ZINC000195342470 975342640 /nfs/dbraw/zinc/34/26/40/975342640.db2.gz SZRGDWAPVXSARZ-CQSZACIVSA-N -1 3 366.421 2.886 50 0 FFAAHM Cc1ncc(CO)c(CN(C)Cc2cnn(-c3ccc(F)cc3)c2)c1[O-] ZINC000952985659 1011040332 /nfs/dbraw/zinc/04/03/32/1011040332.db2.gz CYVZDULTYAQKRG-UHFFFAOYSA-N -1 3 356.401 2.545 50 0 FFAAHM Cc1ccc(COc2ccccc2CN2CC[C@@H](O)[C@@H](C(=O)[O-])C2)cc1 ZINC001529152134 1062188731 /nfs/dbraw/zinc/18/87/31/1062188731.db2.gz PFBOZOJRALMULI-RBUKOAKNSA-N -1 3 355.434 2.841 50 0 FFAAHM O=S(=O)([N-]C[C@@H]1CCCO1)c1cc(Cl)ccc1Br ZINC000000758102 219319020 /nfs/dbraw/zinc/31/90/20/219319020.db2.gz AOHGQCPMEHMVAK-VIFPVBQESA-N -1 3 354.653 2.560 50 0 FFAAHM CCN(C(=O)c1ccccc1[O-])c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000001176710 219385246 /nfs/dbraw/zinc/38/52/46/219385246.db2.gz WTNSMTHXHXQAJJ-UHFFFAOYSA-N -1 3 351.406 2.857 50 0 FFAAHM O=C(Nc1ncccc1[O-])C1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000012527155 220003137 /nfs/dbraw/zinc/00/31/37/220003137.db2.gz LFRBBHMSNYASMY-UHFFFAOYSA-N -1 3 361.348 2.556 50 0 FFAAHM Cc1ccc(C(=O)COC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c(C)c1 ZINC000012604983 220013399 /nfs/dbraw/zinc/01/33/99/220013399.db2.gz QKOGCLPGIGGPNT-UHFFFAOYSA-N -1 3 361.419 2.715 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2c(c1)CCC2 ZINC000012810469 220032824 /nfs/dbraw/zinc/03/28/24/220032824.db2.gz STSGJZMHEWHHFO-GFCCVEGCSA-N -1 3 362.426 2.620 50 0 FFAAHM Cc1ccc(/C=C/S(=O)(=O)NCCC(=O)Nc2ccccc2[O-])cc1 ZINC000012919955 220043043 /nfs/dbraw/zinc/04/30/43/220043043.db2.gz ZHLJGRGMLWLDHN-ACCUITESSA-N -1 3 360.435 2.620 50 0 FFAAHM O=C(C[N-]S(=O)(=O)Cc1ccccc1)Nc1cccc2c1CCCC2 ZINC000012983383 220048326 /nfs/dbraw/zinc/04/83/26/220048326.db2.gz FJDIDNGHLDAUSQ-UHFFFAOYSA-N -1 3 358.463 2.624 50 0 FFAAHM Cc1ccc([O-])c(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)c1 ZINC000012997698 220050975 /nfs/dbraw/zinc/05/09/75/220050975.db2.gz FGBNEWKPPBKNRP-GOSISDBHSA-N -1 3 358.413 2.643 50 0 FFAAHM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)ccc1OC ZINC000013678815 220084827 /nfs/dbraw/zinc/08/48/27/220084827.db2.gz KHKFASUDGCRCCI-UHFFFAOYSA-N -1 3 362.451 2.863 50 0 FFAAHM O=C(CSc1nnc([N-]c2ccccc2Cl)s1)N1CCOCC1 ZINC000013985982 220100414 /nfs/dbraw/zinc/10/04/14/220100414.db2.gz SNHDBTYSDNAKOA-UHFFFAOYSA-N -1 3 370.887 2.886 50 0 FFAAHM Cc1c(C(=O)[N-]c2ccc(F)c(F)c2F)sc2ncn(C)c(=O)c12 ZINC000014240462 220118578 /nfs/dbraw/zinc/11/85/78/220118578.db2.gz UDQHKGZPPCOBJR-UHFFFAOYSA-N -1 3 353.325 2.973 50 0 FFAAHM CC(=O)N1CCc2cc(C(=O)[C@@H](C)OC(=O)c3ccc([O-])cc3)ccc21 ZINC000016743011 220193670 /nfs/dbraw/zinc/19/36/70/220193670.db2.gz AWQMMJPIEWWYBA-GFCCVEGCSA-N -1 3 353.374 2.729 50 0 FFAAHM Cc1[nH]nc2c1[C@@H](c1cc(Br)ccc1[O-])C1C(=O)OCC1=N2 ZINC000020086559 220312589 /nfs/dbraw/zinc/31/25/89/220312589.db2.gz BMTDHISOONPCKJ-GFCCVEGCSA-N -1 3 362.183 2.555 50 0 FFAAHM O=C(Cn1c2ccccc2nc1-c1cscn1)Nc1ncccc1[O-] ZINC000022263942 220381368 /nfs/dbraw/zinc/38/13/68/220381368.db2.gz LNBCTJLYMQKSAX-UHFFFAOYSA-N -1 3 351.391 2.899 50 0 FFAAHM O=C(NCc1cccnc1OC1CCCC1)c1cc2c(cc1[O-])OCO2 ZINC000048285634 221005143 /nfs/dbraw/zinc/00/51/43/221005143.db2.gz FAEHNIKLAWLAOU-UHFFFAOYSA-N -1 3 356.378 2.767 50 0 FFAAHM COc1cc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)cc(OC)c1OC ZINC000049548773 221024439 /nfs/dbraw/zinc/02/44/39/221024439.db2.gz OTFLZFZYIVBPJY-UHFFFAOYSA-N -1 3 372.352 2.945 50 0 FFAAHM COc1cc(NC(=O)c2cnc3c(F)cccc3c2[O-])cc(OC)c1OC ZINC000049548773 221024442 /nfs/dbraw/zinc/02/44/42/221024442.db2.gz OTFLZFZYIVBPJY-UHFFFAOYSA-N -1 3 372.352 2.945 50 0 FFAAHM COc1ccccc1-c1nc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)n[n-]1 ZINC000052778685 221039256 /nfs/dbraw/zinc/03/92/56/221039256.db2.gz AHCNRSZGBFSQDI-UHFFFAOYSA-N -1 3 353.382 2.880 50 0 FFAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1cc(F)cc(F)c1)c1cccc(F)c1 ZINC000053695551 221046867 /nfs/dbraw/zinc/04/68/67/221046867.db2.gz ZMRQDLOWSNEPRZ-MRXNPFEDSA-N -1 3 358.385 2.685 50 0 FFAAHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@H]2CCCO2)cc1Cl ZINC000054363192 221053347 /nfs/dbraw/zinc/05/33/47/221053347.db2.gz URURNUCVQDBVOZ-SECBINFHSA-N -1 3 368.680 2.868 50 0 FFAAHM CCC(CC)([N-]S(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl)C(N)=O ZINC000058439307 221119048 /nfs/dbraw/zinc/11/90/48/221119048.db2.gz JGWXERKEVOMZJF-UHFFFAOYSA-N -1 3 367.298 2.933 50 0 FFAAHM O=S(=O)([N-]C1(C(F)(F)F)CCOCC1)c1cccc2cnccc21 ZINC000332285534 258223186 /nfs/dbraw/zinc/22/31/86/258223186.db2.gz BUPLXNDXNSINMA-UHFFFAOYSA-N -1 3 360.357 2.625 50 0 FFAAHM COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000299779416 533277511 /nfs/dbraw/zinc/27/75/11/533277511.db2.gz RSSKHHGJLOGSJW-INIZCTEOSA-N -1 3 371.437 2.769 50 0 FFAAHM COc1ccc(CN(C)Cc2cc(=O)n3[n-]c(C)cc3n2)c2cccnc12 ZINC000334159651 533541851 /nfs/dbraw/zinc/54/18/51/533541851.db2.gz IWQNKPVZLAVARE-UHFFFAOYSA-N -1 3 363.421 2.520 50 0 FFAAHM O=C([O-])[C@@]1(c2ccccc2)CCN(Cc2cnc(N3CCCCC3)nc2)C1 ZINC000252489534 132292682 /nfs/dbraw/zinc/29/26/82/132292682.db2.gz JSVKMZAHBHVJBR-NRFANRHFSA-N -1 3 366.465 2.695 50 0 FFAAHM CCN1C[C@@H](CN(C)C(=O)c2ccc(OC)cc2[O-])Oc2ccccc21 ZINC000058442837 136131887 /nfs/dbraw/zinc/13/18/87/136131887.db2.gz GUWFKCRAYNEPHJ-OAHLLOKOSA-N -1 3 356.422 2.760 50 0 FFAAHM O=S(=O)(c1ccc(-c2ccc([O-])cc2F)cc1)N1CCSCC1 ZINC000096133352 222039969 /nfs/dbraw/zinc/03/99/69/222039969.db2.gz NZADYCAKBHAAMM-UHFFFAOYSA-N -1 3 353.440 2.936 50 0 FFAAHM Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000097742790 222209046 /nfs/dbraw/zinc/20/90/46/222209046.db2.gz FKOPNTOAEZSDPZ-UHFFFAOYSA-N -1 3 368.412 2.647 50 0 FFAAHM CC(=O)Oc1ccc([C@@H]2CC(=O)c3c([O-])cc(OC(C)=O)cc3O2)cc1 ZINC000001106017 506250041 /nfs/dbraw/zinc/25/00/41/506250041.db2.gz PPTNIBIWQQIJJN-KRWDZBQOSA-N -1 3 356.330 2.949 50 0 biogenic FFAAHM COC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)c2cccs2)cc1)C(F)(F)F ZINC000002266340 506275803 /nfs/dbraw/zinc/27/58/03/506275803.db2.gz WEWJFFHVOAJVRU-HNNXBMFYSA-N -1 3 373.352 2.948 50 0 FFAAHM Cc1ccn(Cc2n[n-]c(=S)n2-c2cnn(Cc3ccc(C)cc3)c2)n1 ZINC000002808205 506294815 /nfs/dbraw/zinc/29/48/15/506294815.db2.gz UBERJLIVMPQVCX-UHFFFAOYSA-N -1 3 365.466 2.662 50 0 FFAAHM CCOC(=O)C(=C([O-])c1ccncc1)[C@@H](C(=O)OCC)c1ccccc1 ZINC000003130210 506310865 /nfs/dbraw/zinc/31/08/65/506310865.db2.gz MGKGXPHYXFHGHM-IRXDYDNUSA-N -1 3 355.390 2.791 50 0 FFAAHM CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000033026271 506326409 /nfs/dbraw/zinc/32/64/09/506326409.db2.gz OGCUERVCNWVYGK-UHFFFAOYSA-N -1 3 352.843 2.520 50 0 FFAAHM CS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(-c2ccc(F)cc2)o1 ZINC000004517789 506380521 /nfs/dbraw/zinc/38/05/21/506380521.db2.gz HPEKQCSXVCNNKJ-UHFFFAOYSA-N -1 3 361.354 2.532 50 0 FFAAHM Cc1ccc(Cn2cc(Cl)c([N-]C(=O)c3nc4ncccn4n3)n2)cc1 ZINC000036618733 506408714 /nfs/dbraw/zinc/40/87/14/506408714.db2.gz GMHJPNQCTCUHPF-UHFFFAOYSA-N -1 3 367.800 2.583 50 0 FFAAHM CN1C(=O)S/C(=C/c2ccc([O-])c(I)c2)C1=O ZINC000006578225 506488705 /nfs/dbraw/zinc/48/87/05/506488705.db2.gz HBWZIZFCTFTXOA-WEVVVXLNSA-N -1 3 361.160 2.663 50 0 FFAAHM COCCCn1c(=S)[n-]nc1C(O)(c1ccccc1)c1ccccc1 ZINC000006640792 506494793 /nfs/dbraw/zinc/49/47/93/506494793.db2.gz HFOXBINEUZKDQZ-UHFFFAOYSA-N -1 3 355.463 2.888 50 0 FFAAHM Cc1nc2c(c(S(=O)(=O)[N-]Cc3ccccc3)nn2C)c(C)c1Cl ZINC000006668327 506495617 /nfs/dbraw/zinc/49/56/17/506495617.db2.gz XWUPBGLBIWJTQN-UHFFFAOYSA-N -1 3 364.858 2.717 50 0 FFAAHM C[C@@H](NC(=O)c1ccc(-c2nnn[n-]2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008164369 506628236 /nfs/dbraw/zinc/62/82/36/506628236.db2.gz COOLRVOXXOBWQC-CYBMUJFWSA-N -1 3 359.393 2.543 50 0 FFAAHM C[C@@H](NC(=O)c1ccc(-c2nn[n-]n2)cc1)c1ccc(-n2ccnc2)cc1 ZINC000008164369 506628239 /nfs/dbraw/zinc/62/82/39/506628239.db2.gz COOLRVOXXOBWQC-CYBMUJFWSA-N -1 3 359.393 2.543 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CC(=O)NC[C@@H](O)c3ccccc3)c(=O)oc12 ZINC000008791266 506669241 /nfs/dbraw/zinc/66/92/41/506669241.db2.gz JGXMCARJBVXXRE-GOSISDBHSA-N -1 3 367.401 2.508 50 0 biogenic FFAAHM CCCNC(=O)c1c([N-]C(=O)c2csnn2)sc2c1CCCC2 ZINC000009250868 506688059 /nfs/dbraw/zinc/68/80/59/506688059.db2.gz YPWFKUUGLKKCGO-UHFFFAOYSA-N -1 3 350.469 2.871 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCC2(c3ccccc3)CCCC2)c(=O)[n-]1 ZINC000009500039 506698951 /nfs/dbraw/zinc/69/89/51/506698951.db2.gz OBWRCQXCHRZZGI-UHFFFAOYSA-N -1 3 353.466 2.948 50 0 FFAAHM CCCn1c(=O)[n-]nc1SCC(=O)N(C)Cc1ccc(Cl)s1 ZINC000010438755 506742741 /nfs/dbraw/zinc/74/27/41/506742741.db2.gz SMTNQURZMRUGMW-UHFFFAOYSA-N -1 3 360.892 2.859 50 0 FFAAHM CCC(=O)c1ccc(OCC(=O)OCC(=O)[N-]c2cc(C(C)C)no2)cc1 ZINC000011407702 506775133 /nfs/dbraw/zinc/77/51/33/506775133.db2.gz FXRAFSAWCFXYJX-UHFFFAOYSA-N -1 3 374.393 2.951 50 0 FFAAHM C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000011603743 506782877 /nfs/dbraw/zinc/78/28/77/506782877.db2.gz FWEPVGDQWDKEPD-SNVBAGLBSA-N -1 3 354.378 2.827 50 0 FFAAHM CCOC(=O)c1c(C)oc2nc(CN3CCCc4ccccc43)[n-]c(=O)c21 ZINC000012537474 506874013 /nfs/dbraw/zinc/87/40/13/506874013.db2.gz SUEPMQOXCFFSRV-UHFFFAOYSA-N -1 3 367.405 2.954 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000014141080 506971747 /nfs/dbraw/zinc/97/17/47/506971747.db2.gz KTCLSPUFRHMIGN-UHFFFAOYSA-N -1 3 351.328 2.768 50 0 FFAAHM COc1cccc(N2CCN(c3nc(CCC(C)C)cc(=O)[n-]3)CC2)c1 ZINC000022448970 507291377 /nfs/dbraw/zinc/29/13/77/507291377.db2.gz VVHJIWASHVEQAH-UHFFFAOYSA-N -1 3 356.470 2.694 50 0 FFAAHM C[C@@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000023482729 507356101 /nfs/dbraw/zinc/35/61/01/507356101.db2.gz SVPVMMNRCPRFMG-LLVKDONJSA-N -1 3 372.899 2.947 50 0 FFAAHM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nnn[n-]3)cc1)O[C@H](C)C2 ZINC000024974662 507454489 /nfs/dbraw/zinc/45/44/89/507454489.db2.gz LOAOSOCNPRETRU-LLVKDONJSA-N -1 3 365.393 2.841 50 0 FFAAHM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nn[n-]n3)cc1)O[C@H](C)C2 ZINC000024974662 507454495 /nfs/dbraw/zinc/45/44/95/507454495.db2.gz LOAOSOCNPRETRU-LLVKDONJSA-N -1 3 365.393 2.841 50 0 FFAAHM C[N-]S(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCC4)[nH]c3c2)o1 ZINC000072058532 507742025 /nfs/dbraw/zinc/74/20/25/507742025.db2.gz QNRPYJHCINVEGH-UHFFFAOYSA-N -1 3 374.422 2.584 50 0 FFAAHM COc1cccc(C(=O)N[C@H]2CCCN(Cc3ccccc3F)C2)c1[O-] ZINC000072157219 507762482 /nfs/dbraw/zinc/76/24/82/507762482.db2.gz LANOLISOIGLTCF-HNNXBMFYSA-N -1 3 358.413 2.934 50 0 FFAAHM COC(=O)[C@H]1CCC[C@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1 ZINC000072301572 507773433 /nfs/dbraw/zinc/77/34/33/507773433.db2.gz BLVURHCSIMYTRR-GJZGRUSLSA-N -1 3 369.421 2.663 50 0 FFAAHM CCC[C@@H](C)N1CC2(CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)OC1=O ZINC000072409671 507784923 /nfs/dbraw/zinc/78/49/23/507784923.db2.gz CTJUZYJBNLYZDF-CYBMUJFWSA-N -1 3 371.441 2.574 50 0 FFAAHM COc1ccc2[n-]cc(C(=O)N3CCC(c4ccncc4)CC3)c(=O)c2c1 ZINC000072433836 507790535 /nfs/dbraw/zinc/79/05/35/507790535.db2.gz WQCKAHUETWCHGI-UHFFFAOYSA-N -1 3 363.417 2.952 50 0 FFAAHM CCOc1ccc(CN2CCc3[nH]cnc3[C@H]2C(=O)[O-])c(OCC)c1C ZINC000072434560 507791141 /nfs/dbraw/zinc/79/11/41/507791141.db2.gz GIMVLETYTSWOOZ-KRWDZBQOSA-N -1 3 359.426 2.700 50 0 FFAAHM O=C([O-])C1(n2ccnc2)CCN(Cc2ccc3cccc(F)c3n2)CC1 ZINC000072438116 507792230 /nfs/dbraw/zinc/79/22/30/507792230.db2.gz GOSHBKCZZCVOJL-UHFFFAOYSA-N -1 3 354.385 2.646 50 0 FFAAHM COc1ccccc1OC1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000072453763 507793034 /nfs/dbraw/zinc/79/30/34/507793034.db2.gz AJLACKJYMXIJJG-UHFFFAOYSA-N -1 3 352.394 2.650 50 0 FFAAHM O=S(=O)([N-]CCCN1CCc2ccccc21)c1ccc(F)c(F)c1 ZINC000030009304 507800445 /nfs/dbraw/zinc/80/04/45/507800445.db2.gz ZRDJFNNXNXPBHV-UHFFFAOYSA-N -1 3 352.406 2.696 50 0 FFAAHM O=C(c1cnc(Cc2c(Cl)cccc2Cl)[n-]c1=O)N1CCCC1 ZINC000091656902 508000277 /nfs/dbraw/zinc/00/02/77/508000277.db2.gz MXDSHLRERIZLTO-UHFFFAOYSA-N -1 3 352.221 2.904 50 0 FFAAHM COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)c1[O-] ZINC000091745579 508006640 /nfs/dbraw/zinc/00/66/40/508006640.db2.gz ZHXMHPSUVHPTCP-DLBZAZTESA-N -1 3 367.449 2.532 50 0 FFAAHM O=C([O-])[C@@H]1CN(Cc2cncn2Cc2ccccc2)C[C@H]1c1ccccn1 ZINC000091780988 508012634 /nfs/dbraw/zinc/01/26/34/508012634.db2.gz GQDNMSJXTNXSGT-RTBURBONSA-N -1 3 362.433 2.627 50 0 FFAAHM Cc1cc(C)cc(N2CC[C@H]([N-]S(=O)(=O)c3ccccc3F)C2=O)c1 ZINC000075524104 508113744 /nfs/dbraw/zinc/11/37/44/508113744.db2.gz WNFCQXWVOXNHBB-INIZCTEOSA-N -1 3 362.426 2.526 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2COC3(CCCC3)O2)c(Cl)cc1F ZINC000095459482 508186256 /nfs/dbraw/zinc/18/62/56/508186256.db2.gz OYXYPRPMBBYBKG-LLVKDONJSA-N -1 3 363.838 2.752 50 0 FFAAHM Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)Cc1ccc([O-])cc1Cl ZINC000095459366 508186327 /nfs/dbraw/zinc/18/63/27/508186327.db2.gz NSXSWULNFGISDN-INIZCTEOSA-N -1 3 363.845 2.539 50 0 FFAAHM Cc1cc(C)n(-c2cccc(C(=O)Nc3n[n-]c([C@@H]4CCCO4)n3)c2)n1 ZINC000095473818 508188393 /nfs/dbraw/zinc/18/83/93/508188393.db2.gz HQWQPBIZKPDKOS-HNNXBMFYSA-N -1 3 352.398 2.711 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)cc(=O)[n-]1 ZINC000082096906 508225518 /nfs/dbraw/zinc/22/55/18/508225518.db2.gz RHROKJPNKDWPQN-CYBMUJFWSA-N -1 3 354.435 2.708 50 0 FFAAHM O=C(N1CCc2nc[n-]c(=O)c2C1)C1(c2cccc(F)c2)CCCCC1 ZINC000179096523 509261568 /nfs/dbraw/zinc/26/15/68/509261568.db2.gz LXOHGOCVRUNIRN-UHFFFAOYSA-N -1 3 355.413 2.696 50 0 FFAAHM Cc1onc(-c2ccccc2Cl)c1C(=O)NCCc1nc(C)cc(=O)[n-]1 ZINC000219135321 509286116 /nfs/dbraw/zinc/28/61/16/509286116.db2.gz FMBOWTUXWUNSJQ-UHFFFAOYSA-N -1 3 372.812 2.668 50 0 FFAAHM Cc1nc(C)c(CC(=O)NCc2cc(-c3ccc(Cl)cc3)on2)c(=O)[n-]1 ZINC000223493740 509339183 /nfs/dbraw/zinc/33/91/83/509339183.db2.gz FFXZREVFZPLZNH-UHFFFAOYSA-N -1 3 372.812 2.554 50 0 FFAAHM Nc1nc([C@H]2C[C@@H](NC(=O)C(c3ccccc3)c3ccccc3)C2)cc(=O)[n-]1 ZINC000253534836 509886716 /nfs/dbraw/zinc/88/67/16/509886716.db2.gz JJYGVXLVIWVTSO-CALCHBBNSA-N -1 3 374.444 2.959 50 0 FFAAHM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000426465074 513947120 /nfs/dbraw/zinc/94/71/20/513947120.db2.gz CVQFENQSCWLHIZ-CQSZACIVSA-N -1 3 359.817 2.860 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000526056001 517317040 /nfs/dbraw/zinc/31/70/40/517317040.db2.gz QEWDHUROGRRNBG-MRXNPFEDSA-N -1 3 364.442 2.764 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]CCC[C@H](C)CO)sc1Br ZINC000089608803 525405881 /nfs/dbraw/zinc/40/58/81/525405881.db2.gz GIDKGNGBHRSUBQ-QMMMGPOBSA-N -1 3 356.307 2.506 50 0 FFAAHM O=C(NCC[N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C1CCCC1 ZINC000078720397 526337973 /nfs/dbraw/zinc/33/79/73/526337973.db2.gz CPMFJPWIOPGBHH-UHFFFAOYSA-N -1 3 365.282 2.578 50 0 FFAAHM CCc1ccccc1N1CCN(C(=O)Nc2cccc3n[n-]nc32)CC1 ZINC000096161842 535942643 /nfs/dbraw/zinc/94/26/43/535942643.db2.gz OQGFFNJBCSECNK-UHFFFAOYSA-N -1 3 350.426 2.874 50 0 FFAAHM Cc1cc(C(=O)CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c(C)s1 ZINC000047342893 570886515 /nfs/dbraw/zinc/88/65/15/570886515.db2.gz ZZKGVJLKEPLWEB-UHFFFAOYSA-N -1 3 355.423 2.569 50 0 FFAAHM CC[C@@H](C[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 ZINC000046071669 570923802 /nfs/dbraw/zinc/92/38/02/570923802.db2.gz FVIGDUXRAMMGPW-INIZCTEOSA-N -1 3 350.509 2.863 50 0 FFAAHM Cc1cc2ccccc2n1CC[N-]S(=O)(=O)c1ccc(-c2cc[nH]n2)o1 ZINC000670452030 571352549 /nfs/dbraw/zinc/35/25/49/571352549.db2.gz OVVUANGFUPUODH-UHFFFAOYSA-N -1 3 370.434 2.911 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000060472583 984913465 /nfs/dbraw/zinc/91/34/65/984913465.db2.gz XJBAOPFHSNAPNU-INIZCTEOSA-N -1 3 354.381 2.725 50 0 FFAAHM O=C([O-])[C@H](c1cc2ccccc2s1)N1CCC(N2CCOCC2)CC1 ZINC001529118263 1062171004 /nfs/dbraw/zinc/17/10/04/1062171004.db2.gz HSAUQQJEIABQHY-SFHVURJKSA-N -1 3 360.479 2.824 50 0 FFAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(OC)c(OC)c2)N1 ZINC000000793129 219321682 /nfs/dbraw/zinc/32/16/82/219321682.db2.gz NWFVUVDGQNKTET-OAHLLOKOSA-N -1 3 360.332 2.957 50 0 FFAAHM CSc1nnc2c(n1)O[C@@]1([N-]c3ccccc3-2)c2ccccc2NC1=O ZINC000000822104 219326806 /nfs/dbraw/zinc/32/68/06/219326806.db2.gz BWNXQVYDYHIFEH-SFHVURJKSA-N -1 3 363.402 2.870 50 0 FFAAHM CCOc1ccc(N[C@H](c2ccccn2)c2oc(CO)cc(=O)c2[O-])cc1 ZINC000001236065 219392993 /nfs/dbraw/zinc/39/29/93/219392993.db2.gz XOGDFOOUIBBNCF-GOSISDBHSA-N -1 3 368.389 2.833 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCC4)c2)cc1 ZINC000012772999 220027746 /nfs/dbraw/zinc/02/77/46/220027746.db2.gz IOEPEJIAVIYMHE-UHFFFAOYSA-N -1 3 370.434 2.701 50 0 FFAAHM C[C@H](CNC(=O)c1sccc1S(=O)(=O)[N-]C1CC1)c1ccccc1 ZINC000012776310 220028148 /nfs/dbraw/zinc/02/81/48/220028148.db2.gz PRXNDQYRYLQUOL-GFCCVEGCSA-N -1 3 364.492 2.722 50 0 FFAAHM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccc4c(c3)CCCC4)ccc21 ZINC000016916549 220197588 /nfs/dbraw/zinc/19/75/88/220197588.db2.gz NIDYZBQTRBLVIS-UHFFFAOYSA-N -1 3 356.447 2.885 50 0 FFAAHM O=C(c1ccc(S(=O)(=O)[N-]Cc2cccs2)s1)N1CCCC1 ZINC000021028524 220349135 /nfs/dbraw/zinc/34/91/35/220349135.db2.gz JXAALUNCZXKAJC-UHFFFAOYSA-N -1 3 356.494 2.524 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccccc2C)s1 ZINC000048263987 221004133 /nfs/dbraw/zinc/00/41/33/221004133.db2.gz BFRNCRPFIJMKDG-GFCCVEGCSA-N -1 3 352.481 2.732 50 0 FFAAHM O=C([N-]c1cccc(F)c1)c1nc(-c2cn(-c3ccc(F)cc3)nn2)no1 ZINC000049410289 221021869 /nfs/dbraw/zinc/02/18/69/221021869.db2.gz KYPXTFRGTQGRMX-UHFFFAOYSA-N -1 3 368.303 2.848 50 0 FFAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@H](C)c1cccc(F)c1 ZINC000056139404 221078076 /nfs/dbraw/zinc/07/80/76/221078076.db2.gz POGIDHVJEGTFIF-GFCCVEGCSA-N -1 3 366.396 2.699 50 0 FFAAHM C[C@H](NC(=O)c1ccc2n[n-]nc2c1)c1nc(-c2ccc(F)cc2)no1 ZINC000058224726 221109655 /nfs/dbraw/zinc/10/96/55/221109655.db2.gz POWOWBNZFKZJFO-VIFPVBQESA-N -1 3 352.329 2.638 50 0 FFAAHM Cc1noc(C)c1C[N-]S(=O)(=O)c1cc(Br)ccc1F ZINC000060321415 221129230 /nfs/dbraw/zinc/12/92/30/221129230.db2.gz PWKACZLKLFGZMA-UHFFFAOYSA-N -1 3 363.208 2.672 50 0 FFAAHM Cc1ncc(CO)c(CN2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)c1[O-] ZINC000067741352 221279245 /nfs/dbraw/zinc/27/92/45/221279245.db2.gz NYQBUDPOFZLSIS-IBGZPJMESA-N -1 3 364.449 2.653 50 0 FFAAHM O=S(=O)([N-]C[C@@](O)(c1ccccc1)C1CC1)c1ccc(Cl)s1 ZINC000070967798 221336160 /nfs/dbraw/zinc/33/61/60/221336160.db2.gz UDGVEBZPWOFCCI-OAHLLOKOSA-N -1 3 357.884 2.978 50 0 FFAAHM Cc1ccc([O-])c(C(=O)N2CCc3c(nc(C)nc3N3CCCC3)C2)c1 ZINC000071749242 221361056 /nfs/dbraw/zinc/36/10/56/221361056.db2.gz UOXIPCVXXKVCGR-UHFFFAOYSA-N -1 3 352.438 2.598 50 0 FFAAHM Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000071760202 221366271 /nfs/dbraw/zinc/36/62/71/221366271.db2.gz UMYVRRPGQJXLFO-HNNXBMFYSA-N -1 3 362.433 2.564 50 0 FFAAHM O=C(C=Cc1cnn(-c2ccccc2)c1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000096911886 222138536 /nfs/dbraw/zinc/13/85/36/222138536.db2.gz MTXPDTADIJKOSY-KTKRTIGZSA-N -1 3 357.377 2.704 50 0 FFAAHM O=C(C=Cc1cnn(-c2ccccc2)c1)Nc1cccc(-c2nn[n-]n2)c1 ZINC000096911886 222138537 /nfs/dbraw/zinc/13/85/37/222138537.db2.gz MTXPDTADIJKOSY-KTKRTIGZSA-N -1 3 357.377 2.704 50 0 FFAAHM Cc1cccc(NCc2cc(=O)n3nc(NCc4ccccc4)[n-]c3n2)c1 ZINC000101795734 222283437 /nfs/dbraw/zinc/28/34/37/222283437.db2.gz KIHFMUKENGRJOZ-UHFFFAOYSA-N -1 3 360.421 2.950 50 0 FFAAHM CCc1nc2ccccc2n1CC(=O)Nc1ccccc1[N-]S(C)(=O)=O ZINC000024889468 263387844 /nfs/dbraw/zinc/38/78/44/263387844.db2.gz FNZVETNNOCNVBH-UHFFFAOYSA-N -1 3 372.450 2.609 50 0 FFAAHM COc1cc(C(=O)NC(=S)Nc2ccccc2[O-])cc(OC)c1OC ZINC000001179952 506253849 /nfs/dbraw/zinc/25/38/49/506253849.db2.gz ZJIDKBTZYLFCRW-UHFFFAOYSA-N -1 3 362.407 2.545 50 0 FFAAHM COCCN1C(=O)c2ccc(C(=O)Nc3cc(Cl)ccc3[O-])cc2C1=O ZINC000002875551 506299950 /nfs/dbraw/zinc/29/99/50/506299950.db2.gz RCFCIXQPPIYPRR-UHFFFAOYSA-N -1 3 374.780 2.540 50 0 FFAAHM COc1cc2c(cc1OC)C1=C[C@@]([O-])(C(F)(F)F)C(=O)N1C(C)(C)C2 ZINC000003103086 506309692 /nfs/dbraw/zinc/30/96/92/506309692.db2.gz HTBFHVVCSOHTRH-INIZCTEOSA-N -1 3 357.328 2.515 50 0 FFAAHM CCOC(=O)C(=C([O-])c1cccnc1)[C@@H](C(=O)OCC)c1ccccc1 ZINC000003130200 506310653 /nfs/dbraw/zinc/31/06/53/506310653.db2.gz HOUUXJLVTPCYJH-DLBZAZTESA-N -1 3 355.390 2.791 50 0 FFAAHM CCOc1ncccc1C(=O)OCc1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000003279808 506318826 /nfs/dbraw/zinc/31/88/26/506318826.db2.gz HAILSEJVPCQNSX-UHFFFAOYSA-N -1 3 359.407 2.752 50 0 FFAAHM CCCN1CCN(c2cc(C(=O)[O-])c3cc(NC(=O)CC)ccc3n2)CC1 ZINC000033010381 506324603 /nfs/dbraw/zinc/32/46/03/506324603.db2.gz GBODEOAXJOXFHD-UHFFFAOYSA-N -1 3 370.453 2.814 50 0 FFAAHM O=C(CSc1nnc([N-]C(=O)c2ccco2)s1)NC1CCCCC1 ZINC000004328721 506371802 /nfs/dbraw/zinc/37/18/02/506371802.db2.gz FIHMDSVQACSROL-UHFFFAOYSA-N -1 3 366.468 2.924 50 0 FFAAHM CCN1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)C(C)C)ccc32)CC1 ZINC000036360687 506401857 /nfs/dbraw/zinc/40/18/57/506401857.db2.gz PNTRGNMSQCPDPT-GOSISDBHSA-N -1 3 372.469 2.526 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(N3CCCC3=O)cc2)cc1C ZINC000005329177 506435694 /nfs/dbraw/zinc/43/56/94/506435694.db2.gz PGSQDPCUNJTMNJ-UHFFFAOYSA-N -1 3 360.435 2.931 50 0 FFAAHM CC(C)(C)c1noc(CN2CCC(C(=O)Nc3ccccc3[O-])CC2)n1 ZINC000040058923 506460475 /nfs/dbraw/zinc/46/04/75/506460475.db2.gz KSUNVQBOCJMKNJ-UHFFFAOYSA-N -1 3 358.442 2.923 50 0 FFAAHM CCOC(=O)[C@H](CC)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000006002917 506464416 /nfs/dbraw/zinc/46/44/16/506464416.db2.gz UDVVPGOVOIYGPQ-AWEZNQCLSA-N -1 3 372.450 2.851 50 0 FFAAHM COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3[O-])n2C)c1 ZINC000006701259 506499426 /nfs/dbraw/zinc/49/94/26/506499426.db2.gz LECLZZHMFWUMPU-UHFFFAOYSA-N -1 3 370.434 2.927 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc21 ZINC000006819305 506510248 /nfs/dbraw/zinc/51/02/48/506510248.db2.gz ZROZXBOMPNRXPG-UHFFFAOYSA-N -1 3 368.361 2.511 50 0 FFAAHM Cc1nc(SCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)nc(C)c1C ZINC000007026552 506527532 /nfs/dbraw/zinc/52/75/32/506527532.db2.gz ZSMPPZIWODMAEJ-UHFFFAOYSA-N -1 3 365.480 2.748 50 0 FFAAHM Cc1ccnc2nc(C(=O)[N-]c3nc(-c4ccc(F)cc4)cs3)nn21 ZINC000007642078 506576486 /nfs/dbraw/zinc/57/64/86/506576486.db2.gz HEVFQUSMRJGVLP-UHFFFAOYSA-N -1 3 354.370 2.948 50 0 FFAAHM CCn1nnnc1SCc1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000008215896 506631520 /nfs/dbraw/zinc/63/15/20/506631520.db2.gz TYTKWKSFXACAEK-UHFFFAOYSA-N -1 3 360.424 2.543 50 0 FFAAHM CN1CCN(c2nc(CSc3ccc(Cl)cc3)cc(=O)[n-]2)CC1 ZINC000009088141 506681606 /nfs/dbraw/zinc/68/16/06/506681606.db2.gz FOXDPCFYVUYRBC-UHFFFAOYSA-N -1 3 350.875 2.880 50 0 FFAAHM CCOc1cc(Cl)c(S(=O)(=O)[N-]C[C@H]2CCCO2)cc1Cl ZINC000012291750 506843650 /nfs/dbraw/zinc/84/36/50/506843650.db2.gz NWXFNKWEAJSIEC-SECBINFHSA-N -1 3 354.255 2.849 50 0 FFAAHM CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1(C)C ZINC000058390690 507410733 /nfs/dbraw/zinc/41/07/33/507410733.db2.gz CWHMUZCUIQSSCY-SJLPKXTDSA-N -1 3 356.466 2.915 50 0 FFAAHM O=c1cc(-c2ccccc2Cl)nc(-c2ccc(CN3CC(O)C3)cc2)[n-]1 ZINC000048221838 507483127 /nfs/dbraw/zinc/48/31/27/507483127.db2.gz XHMDSWRFMMTMEQ-UHFFFAOYSA-N -1 3 367.836 2.934 50 0 FFAAHM CN(C)S(=O)(=O)c1ccc(C(=O)[N-]c2nc3c(s2)CCCCC3)o1 ZINC000048310827 507499732 /nfs/dbraw/zinc/49/97/32/507499732.db2.gz UUGVJPMEJITREZ-UHFFFAOYSA-N -1 3 369.468 2.508 50 0 FFAAHM C[C@@H]1CN(C2CCN(C(=O)Cc3ccc([O-])c(Cl)c3)CC2)C[C@H](C)O1 ZINC000072463671 507794925 /nfs/dbraw/zinc/79/49/25/507794925.db2.gz CZEPFPLXGNDQJH-OKILXGFUSA-N -1 3 366.889 2.688 50 0 FFAAHM O=S(=O)([N-][C@H]1CCCCC[C@@H]1CO)c1ccccc1C(F)(F)F ZINC000089813318 507869980 /nfs/dbraw/zinc/86/99/80/507869980.db2.gz KLOHERXIXPHUFI-YPMHNXCESA-N -1 3 351.390 2.925 50 0 FFAAHM Cc1ccc(-c2ncc(C(=O)NC[C@H](c3ccco3)N(C)C)c(=O)[n-]2)cc1 ZINC000091951099 508026946 /nfs/dbraw/zinc/02/69/46/508026946.db2.gz HAHZZLJMZUKSOS-MRXNPFEDSA-N -1 3 366.421 2.783 50 0 FFAAHM Cc1cc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)ccc1F ZINC000092038738 508035735 /nfs/dbraw/zinc/03/57/35/508035735.db2.gz FBWWZWPSOWHLQP-HNNXBMFYSA-N -1 3 362.445 2.812 50 0 FFAAHM COc1ccccc1[C@@H](C(=O)[O-])N1CCC(OCc2cccnc2)CC1 ZINC000095389129 508183479 /nfs/dbraw/zinc/18/34/79/508183479.db2.gz JUBIBUWQKNGXTO-IBGZPJMESA-N -1 3 356.422 2.897 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccon1 ZINC000095461645 508187251 /nfs/dbraw/zinc/18/72/51/508187251.db2.gz VJYWWIUWXNMEGN-ZETCQYMHSA-N -1 3 352.746 2.969 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2c(F)cccc2Cl)o1 ZINC000095480685 508189144 /nfs/dbraw/zinc/18/91/44/508189144.db2.gz BUBKCQSCPJXDFR-JTQLQIEISA-N -1 3 370.760 2.979 50 0 FFAAHM O=c1[n-]c(SCc2cc(Cl)c3c(c2)OCCCO3)nc2[nH]ncc21 ZINC000095948777 508198297 /nfs/dbraw/zinc/19/82/97/508198297.db2.gz JOXHVPSYBFLOSR-UHFFFAOYSA-N -1 3 364.814 2.753 50 0 FFAAHM COc1ccc(Cl)cc1C(=O)N1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000082097364 508225522 /nfs/dbraw/zinc/22/55/22/508225522.db2.gz QUJJENDUFQPOKL-LBPRGKRZSA-N -1 3 361.829 2.760 50 0 FFAAHM Cc1cccc2c1CCN2C(=O)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000126842698 509137009 /nfs/dbraw/zinc/13/70/09/509137009.db2.gz PGJMBDYLVVUZNA-GOSISDBHSA-N -1 3 350.418 2.895 50 0 FFAAHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCCN(Cc2ccncc2)CC1 ZINC000252495971 509844093 /nfs/dbraw/zinc/84/40/93/509844093.db2.gz PDWYRLUZSTWMOF-UHFFFAOYSA-N -1 3 359.857 2.718 50 0 FFAAHM CN(C(=O)c1ccc(-c2ccc(-c3nnn[n-]3)cc2)cc1)C1CCOCC1 ZINC000426428304 513937855 /nfs/dbraw/zinc/93/78/55/513937855.db2.gz TVKNBOJIVSQBLJ-UHFFFAOYSA-N -1 3 363.421 2.785 50 0 FFAAHM CN(C(=O)c1ccc(-c2ccc(-c3nn[n-]n3)cc2)cc1)C1CCOCC1 ZINC000426428304 513937861 /nfs/dbraw/zinc/93/78/61/513937861.db2.gz TVKNBOJIVSQBLJ-UHFFFAOYSA-N -1 3 363.421 2.785 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC000526056000 517317731 /nfs/dbraw/zinc/31/77/31/517317731.db2.gz QEWDHUROGRRNBG-INIZCTEOSA-N -1 3 364.442 2.764 50 0 FFAAHM CCOc1ccc(-c2ccnc(N3CCN4CCC[C@H]4C3)n2)cc1C(=O)[O-] ZINC000244690898 520811761 /nfs/dbraw/zinc/81/17/61/520811761.db2.gz IYYPMAUBMGBPLE-HNNXBMFYSA-N -1 3 368.437 2.525 50 0 FFAAHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 ZINC000606369599 521042825 /nfs/dbraw/zinc/04/28/25/521042825.db2.gz NFTJDGXKLNUOMW-OCCSQVGLSA-N -1 3 358.467 2.581 50 0 FFAAHM Cc1cccc(NC(=O)Cn2nc3c4cc(F)ccc4[n-]cc-3c2=O)c1 ZINC000101800965 570823800 /nfs/dbraw/zinc/82/38/00/570823800.db2.gz ZJOVIYDIFUKEEO-UHFFFAOYSA-N -1 3 350.353 2.916 50 0 FFAAHM CCOc1cccc2nnc([N-]C(=O)Nc3cc(Cl)ccc3OC)n21 ZINC000065314679 571133835 /nfs/dbraw/zinc/13/38/35/571133835.db2.gz FKKJLUKMUSIFPT-UHFFFAOYSA-N -1 3 361.789 3.434 50 0 FFAAHM Cc1nc(C)c(C(=O)NN=Cc2cc(Br)ccc2[O-])s1 ZINC000254399032 729626383 /nfs/dbraw/zinc/62/63/83/729626383.db2.gz SMTCLIJPXXLZHV-UHFFFAOYSA-N -1 3 354.229 2.992 50 0 FFAAHM Cn1ncc2c1ncc(C(=O)N1CCCCC[C@@H]1c1ccncc1)c2[O-] ZINC000179430656 991244409 /nfs/dbraw/zinc/24/44/09/991244409.db2.gz IOCKRETZVGVRKE-MRXNPFEDSA-N -1 3 351.410 2.826 50 0 FFAAHM CCOc1ccc(N[C@@H](c2ccccn2)c2oc(CO)cc(=O)c2[O-])cc1 ZINC000001236064 219392908 /nfs/dbraw/zinc/39/29/08/219392908.db2.gz XOGDFOOUIBBNCF-SFHVURJKSA-N -1 3 368.389 2.833 50 0 FFAAHM O=C(Nc1cc(C(F)(F)F)ccc1F)N1CCc2nc[n-]c(=O)c2CC1 ZINC000299778878 223092534 /nfs/dbraw/zinc/09/25/34/223092534.db2.gz IJTVQDSCYRTLEG-UHFFFAOYSA-N -1 3 370.306 2.973 50 0 FFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1C ZINC000010063771 219891244 /nfs/dbraw/zinc/89/12/44/219891244.db2.gz NMAOLKTUKIUJTG-UHFFFAOYSA-N -1 3 360.435 2.713 50 0 FFAAHM Cc1ccc([O-])c(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)c1 ZINC000012735742 220022475 /nfs/dbraw/zinc/02/24/75/220022475.db2.gz UCDIKWAPAJNZFV-UHFFFAOYSA-N -1 3 366.339 2.879 50 0 FFAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000012920205 220043377 /nfs/dbraw/zinc/04/33/77/220043377.db2.gz ZQZAFOVDASJOLW-GFCCVEGCSA-N -1 3 359.856 2.984 50 0 FFAAHM Cc1nc(C)c(CCC(=O)Nc2ccc(Br)cc2F)c(=O)[n-]1 ZINC000012984646 220049682 /nfs/dbraw/zinc/04/96/82/220049682.db2.gz DHPGZXLCRFXXEK-UHFFFAOYSA-N -1 3 368.206 2.860 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)OCC(=O)c2ccc(Cl)s2)cc1 ZINC000012989897 220050056 /nfs/dbraw/zinc/05/00/56/220050056.db2.gz DMDPEDPBFCDMDT-UHFFFAOYSA-N -1 3 373.839 2.813 50 0 FFAAHM Cc1ccc(Cl)cc1NC(=O)C=C1[N-]S(=O)(=O)c2ccccc2N1 ZINC000015826730 220166461 /nfs/dbraw/zinc/16/64/61/220166461.db2.gz QTBAHYRZGUPMCQ-UHFFFAOYSA-N -1 3 363.826 2.999 50 0 FFAAHM COc1ccc(C(=O)NCc2ccc(NC(=O)NC(C)C)cc2)c([O-])c1 ZINC000032740155 220673122 /nfs/dbraw/zinc/67/31/22/220673122.db2.gz UOGUTXMWHRKXLR-UHFFFAOYSA-N -1 3 357.410 2.861 50 0 FFAAHM CCc1nc(CN(C)C(=O)c2c[n-]c3cc(OC)ccc3c2=O)cs1 ZINC000063112053 221142002 /nfs/dbraw/zinc/14/20/02/221142002.db2.gz BTTQKXIIZHPHDV-UHFFFAOYSA-N -1 3 357.435 2.828 50 0 FFAAHM CNC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)ccc21 ZINC000064862422 221155101 /nfs/dbraw/zinc/15/51/01/221155101.db2.gz CQXXYWZXPOCPSP-UHFFFAOYSA-N -1 3 359.451 2.806 50 0 FFAAHM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(F)cc2F)c(C)n1C ZINC000064863125 221155107 /nfs/dbraw/zinc/15/51/07/221155107.db2.gz UHVMMVVTNGQHBI-UHFFFAOYSA-N -1 3 372.393 2.898 50 0 FFAAHM COC(=O)c1[n-]nc2c1[C@H](C1=Cc3cc(Cl)ccc3OC1)CC(=O)N2 ZINC000065432914 221218555 /nfs/dbraw/zinc/21/85/55/221218555.db2.gz OMSIVXIDLGTSDR-NSHDSACASA-N -1 3 359.769 2.752 50 0 FFAAHM COC(=O)c1n[n-]c2c1[C@H](C1=Cc3cc(Cl)ccc3OC1)CC(=O)N2 ZINC000065432914 221218557 /nfs/dbraw/zinc/21/85/57/221218557.db2.gz OMSIVXIDLGTSDR-NSHDSACASA-N -1 3 359.769 2.752 50 0 FFAAHM Cc1ncc(CO)c(CN2CCc3nc[nH]c3[C@H]2Cc2ccccc2)c1[O-] ZINC000067741353 221279444 /nfs/dbraw/zinc/27/94/44/221279444.db2.gz NYQBUDPOFZLSIS-LJQANCHMSA-N -1 3 364.449 2.653 50 0 FFAAHM COc1ccc2c(C)nc(N3CCC[C@@H](c4cc(=O)[n-]c(C)n4)C3)nc2c1 ZINC000067879614 221299931 /nfs/dbraw/zinc/29/99/31/221299931.db2.gz HXVJXDSCSMFMFG-CQSZACIVSA-N -1 3 365.437 2.723 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@]21c2ccccc2N(C(C)C)C1=O ZINC000071282051 221338090 /nfs/dbraw/zinc/33/80/90/221338090.db2.gz ZJXWVPFSEDWOIV-LJQANCHMSA-N -1 3 354.410 2.790 50 0 FFAAHM Cc1cccc(N2CCC([N-]S(=O)(=O)c3cccc(F)c3F)CC2)n1 ZINC000078766044 132192082 /nfs/dbraw/zinc/19/20/82/132192082.db2.gz JSEFMUFCPYOYGB-UHFFFAOYSA-N -1 3 367.421 2.616 50 0 FFAAHM O=C(c1cccc([O-])c1)N1CCN(CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072478726 221551943 /nfs/dbraw/zinc/55/19/43/221551943.db2.gz AKBKLFYTFIPBKV-FQEVSTJZSA-N -1 3 368.477 2.534 50 0 FFAAHM Cc1nc(C2CCN(C(=O)c3ccc4scnc4c3)CC2)cc(=O)[n-]1 ZINC000082121640 221703834 /nfs/dbraw/zinc/70/38/34/221703834.db2.gz QKKFBBLGPITLHE-UHFFFAOYSA-N -1 3 354.435 2.708 50 0 FFAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@@H](c1ccsc1)SCC(=O)N2 ZINC000096118010 222032620 /nfs/dbraw/zinc/03/26/20/222032620.db2.gz BRBKVFFCACFVBK-CYBMUJFWSA-N -1 3 351.453 2.776 50 0 FFAAHM O=c1[n-]c(C2CC2)ncc1-c1nc(-c2ccncc2)nn1CC(F)(F)F ZINC000096160576 222060445 /nfs/dbraw/zinc/06/04/45/222060445.db2.gz GQXZNBAXZKCCJB-UHFFFAOYSA-N -1 3 362.315 2.530 50 0 FFAAHM COc1cc(C)c(S(=O)(=O)[N-]c2cccc([S@@](C)=O)c2)cc1C ZINC000097001784 222149762 /nfs/dbraw/zinc/14/97/62/222149762.db2.gz HZPDDLGNKZTLMM-QFIPXVFZSA-N -1 3 353.465 2.850 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100053608 222234228 /nfs/dbraw/zinc/23/42/28/222234228.db2.gz VDIZIYFCLMTVGZ-WBVHZDCISA-N -1 3 367.792 2.663 50 0 FFAAHM CCCc1cc(=O)n2nc(NCc3ccc(OC(C)C)c(OC)c3)[n-]c2n1 ZINC000101483333 222276506 /nfs/dbraw/zinc/27/65/06/222276506.db2.gz OIPKVYTUOXNLOR-UHFFFAOYSA-N -1 3 371.441 2.778 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)NCc2cccc(Cl)c2)ccc1Cl ZINC000006788378 263346955 /nfs/dbraw/zinc/34/69/55/263346955.db2.gz ZRUCBLKQCFZPCP-UHFFFAOYSA-N -1 3 373.261 2.832 50 0 FFAAHM COCCOc1cc([N-]S(=O)(=O)c2ccc(F)cc2C)ccc1OC ZINC000024955563 263387826 /nfs/dbraw/zinc/38/78/26/263387826.db2.gz OEZSXOVNJXRXEO-UHFFFAOYSA-N -1 3 369.414 2.969 50 0 FFAAHM COc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000032117690 506231642 /nfs/dbraw/zinc/23/16/42/506231642.db2.gz SOIAXOUTRDUZBI-CZUORRHYSA-N -1 3 372.343 2.713 50 0 FFAAHM CCOc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)ccc1O ZINC000002125669 506271964 /nfs/dbraw/zinc/27/19/64/506271964.db2.gz PPNKTDMWBDVVMC-MAUKXSAKSA-N -1 3 352.390 2.961 50 0 biogenic FFAAHM COc1ccc(-c2nc3c(c(=O)[n-]2)CCN(C(=O)c2ccsc2)C3)cc1 ZINC000065260285 506277459 /nfs/dbraw/zinc/27/74/59/506277459.db2.gz QAQQHTRLVKYMQE-UHFFFAOYSA-N -1 3 367.430 2.706 50 0 FFAAHM CCOC(=O)[C@]([O-])(CC(=O)Nc1cccc(Cl)c1C)C(F)(F)F ZINC000002770575 506291021 /nfs/dbraw/zinc/29/10/21/506291021.db2.gz NJDHTNOBLSJEFC-CYBMUJFWSA-N -1 3 353.724 2.834 50 0 FFAAHM CC(C)(C)c1ccc(NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)cc1 ZINC000003452570 506332271 /nfs/dbraw/zinc/33/22/71/506332271.db2.gz OFCFEUNGAWWZLP-UHFFFAOYSA-N -1 3 351.406 2.626 50 0 FFAAHM O=C(COc1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)[N-]C2=O ZINC000004079314 506356661 /nfs/dbraw/zinc/35/66/61/506356661.db2.gz VMDPDDXJZKWPHG-UHFFFAOYSA-N -1 3 365.172 2.895 50 0 FFAAHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1ccccc1C(F)(F)F ZINC000004249626 506366177 /nfs/dbraw/zinc/36/61/77/506366177.db2.gz IYGZRADHZYXRLK-UHFFFAOYSA-N -1 3 369.328 2.808 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)[C@@H]1CON(C)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000034738880 506370372 /nfs/dbraw/zinc/37/03/72/506370372.db2.gz YOTFMCYXWYJHPJ-MORSLUCNSA-N -1 3 364.442 2.793 50 0 FFAAHM O=c1[n-]c(=O)n(C(c2ccccc2)c2ccccc2)cc1Br ZINC000004686218 506388597 /nfs/dbraw/zinc/38/85/97/506388597.db2.gz LQZKEZYPIVMPOQ-UHFFFAOYSA-N -1 3 357.207 2.937 50 0 biogenic,in-vitro FFAAHM CCc1nnc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)[n-]2)s1 ZINC000004741980 506391635 /nfs/dbraw/zinc/39/16/35/506391635.db2.gz WESKKOVSESRIFD-QMMMGPOBSA-N -1 3 361.452 2.869 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(NS(C)(=O)=O)c2)c(C)c1 ZINC000005885885 506458890 /nfs/dbraw/zinc/45/88/90/506458890.db2.gz TTYXVPNXVBDBEM-UHFFFAOYSA-N -1 3 368.480 2.784 50 0 FFAAHM CCOC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000005928153 506461603 /nfs/dbraw/zinc/46/16/03/506461603.db2.gz PARUQLVCRSBMMD-GFCCVEGCSA-N -1 3 372.450 2.769 50 0 FFAAHM COc1cccc(-c2cc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)[nH]n2)c1 ZINC000006395097 506480999 /nfs/dbraw/zinc/48/09/99/506480999.db2.gz UETCQSIKVZFGKI-HNNXBMFYSA-N -1 3 368.315 2.558 50 0 FFAAHM CCOc1cc(C(=O)N2NC=C[C@@]2([O-])C(F)(F)F)ccc1OC(F)F ZINC000006554030 506489393 /nfs/dbraw/zinc/48/93/93/506489393.db2.gz IOPCGKAHABRNIY-CYBMUJFWSA-N -1 3 368.258 2.769 50 0 FFAAHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3ccc(OC)cc3)on2)cc1 ZINC000006668425 506495986 /nfs/dbraw/zinc/49/59/86/506495986.db2.gz JEMHQCCVNPSLDG-UHFFFAOYSA-N -1 3 374.418 2.837 50 0 FFAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCCC3)cs2)no1 ZINC000006680733 506497072 /nfs/dbraw/zinc/49/70/72/506497072.db2.gz SRMRDOIIHIVWFJ-UHFFFAOYSA-N -1 3 369.468 2.862 50 0 FFAAHM CCn1c(SCC(=O)NCc2ccco2)nnc1-c1ccccc1[O-] ZINC000006701042 506498855 /nfs/dbraw/zinc/49/88/55/506498855.db2.gz YREOUTRVJCIWQA-UHFFFAOYSA-N -1 3 358.423 2.672 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cc1 ZINC000006729690 506500231 /nfs/dbraw/zinc/50/02/31/506500231.db2.gz MEZQHBAYPJDTPB-GFCCVEGCSA-N -1 3 360.435 2.794 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc(C)cc3)n[nH]2)N1 ZINC000008550599 506659253 /nfs/dbraw/zinc/65/92/53/506659253.db2.gz RIDWIDIGPJSETJ-OAHLLOKOSA-N -1 3 352.316 2.858 50 0 FFAAHM Cn1ccnc1[C@@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccccc1F ZINC000008746603 506666298 /nfs/dbraw/zinc/66/62/98/506666298.db2.gz DKLGESZBRVSWNJ-INIZCTEOSA-N -1 3 363.389 2.766 50 0 FFAAHM CC[C@@H](Sc1nc2nc(C)cc(C)c2c(=O)[n-]1)C(=O)Nc1cc(C)on1 ZINC000008982375 506675676 /nfs/dbraw/zinc/67/56/76/506675676.db2.gz BEQHIBHKDROCCI-LLVKDONJSA-N -1 3 373.438 2.741 50 0 FFAAHM CNC(=O)c1ccc(NC(=O)CSc2n[n-]c(-c3cccs3)n2)cc1 ZINC000009316979 506688904 /nfs/dbraw/zinc/68/89/04/506688904.db2.gz VBCRAXGYKBARGL-UHFFFAOYSA-N -1 3 373.463 2.624 50 0 FFAAHM Cc1ccc(NC(=O)CN2C(=O)N[C@@]3(C[C@@H](C)CC(C)(C)C3)C2=O)c([O-])c1 ZINC000009365580 506694082 /nfs/dbraw/zinc/69/40/82/506694082.db2.gz LMNSQSACBDIGKJ-RNODOKPDSA-N -1 3 373.453 2.776 50 0 FFAAHM O=C(Nc1ccc(Cl)cc1)[C@H]1C=C([O-])NC(Nc2ccc(F)cc2)=N1 ZINC000009698424 506708595 /nfs/dbraw/zinc/70/85/95/506708595.db2.gz YGXUUVJNIYRMKY-CQSZACIVSA-N -1 3 360.776 2.774 50 0 FFAAHM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c(C)c1 ZINC000010063823 506725780 /nfs/dbraw/zinc/72/57/80/506725780.db2.gz NGLXYYBYBKNNDL-UHFFFAOYSA-N -1 3 373.434 2.639 50 0 FFAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(N3C(=O)CCC3=O)cc2)cc1 ZINC000012200034 506834257 /nfs/dbraw/zinc/83/42/57/506834257.db2.gz ZQTUWLCOJWZFOL-UHFFFAOYSA-N -1 3 374.418 2.540 50 0 FFAAHM Cn1c2cc(Cl)c(S(=O)(=O)[N-]CCC3=CCCCC3)cc2oc1=O ZINC000012428011 506862663 /nfs/dbraw/zinc/86/26/63/506862663.db2.gz WSFOIYBJAHFCNM-UHFFFAOYSA-N -1 3 370.858 2.954 50 0 FFAAHM Cc1c([O-])ccc2c(CC(=O)N3CC[C@@]4(O)CCCC[C@@H]4C3)cc(=O)oc12 ZINC000015954921 507067130 /nfs/dbraw/zinc/06/71/30/507067130.db2.gz YPJHBHYMJRSWQM-VFNWGFHPSA-N -1 3 371.433 2.503 50 0 biogenic FFAAHM O=C(Cc1c(Cl)cccc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552641 507356201 /nfs/dbraw/zinc/35/62/01/507356201.db2.gz YUIZPTKVALHDQQ-UHFFFAOYSA-N -1 3 367.232 2.788 50 0 FFAAHM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1(C)C ZINC000058390694 507410890 /nfs/dbraw/zinc/41/08/90/507410890.db2.gz CWHMUZCUIQSSCY-AEFFLSMTSA-N -1 3 356.466 2.915 50 0 FFAAHM O=S(=O)([N-]c1cc(-n2cnnn2)ccc1Cl)c1ccc(Cl)cc1 ZINC000072404711 507783914 /nfs/dbraw/zinc/78/39/14/507783914.db2.gz BAMZLESTKPLEEZ-UHFFFAOYSA-N -1 3 370.221 2.770 50 0 FFAAHM C[C@H](C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)N1CCOCC1 ZINC000072453466 507792901 /nfs/dbraw/zinc/79/29/01/507792901.db2.gz OCHMTNINEKZJTE-CYBMUJFWSA-N -1 3 352.862 2.619 50 0 FFAAHM CCN1CC2(CCC1=O)CCN(Cc1ccccc1O[C@@H](C)C(=O)[O-])CC2 ZINC000092028095 508034314 /nfs/dbraw/zinc/03/43/14/508034314.db2.gz IYZHSWDUUOZHLX-INIZCTEOSA-N -1 3 374.481 2.763 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c(C)c1 ZINC000095359573 508176080 /nfs/dbraw/zinc/17/60/80/508176080.db2.gz QNRVNFSAVPVOHF-HXUWFJFHSA-N -1 3 369.465 2.732 50 0 FFAAHM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(CC(=O)[O-])C1CCN(C)CC1 ZINC000095508062 508192177 /nfs/dbraw/zinc/19/21/77/508192177.db2.gz XWQGWRGPTWVJBY-UHFFFAOYSA-N -1 3 357.454 2.714 50 0 FFAAHM CC(C)(C)c1cc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)[nH]n1 ZINC000095526929 508196259 /nfs/dbraw/zinc/19/62/59/508196259.db2.gz SYSKVHKHDFHUJT-FOIQADDNSA-N -1 3 355.438 2.770 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2OCC2CC2)c(C)o1 ZINC000081783136 508210329 /nfs/dbraw/zinc/21/03/29/508210329.db2.gz YNEZXFOTZASFPE-UHFFFAOYSA-N -1 3 364.423 2.537 50 0 FFAAHM Cc1ccc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)c([O-])c1 ZINC000082119967 508226151 /nfs/dbraw/zinc/22/61/51/508226151.db2.gz ONPJNHSHWOAMGJ-UHFFFAOYSA-N -1 3 351.406 2.740 50 0 FFAAHM Cc1cc(C)n(-c2ccc(C(=O)NCc3cccc(-c4nnn[n-]4)c3)cc2)n1 ZINC000077319758 508300072 /nfs/dbraw/zinc/30/00/72/508300072.db2.gz KANJYQXCMYWNFA-UHFFFAOYSA-N -1 3 373.420 2.599 50 0 FFAAHM Cc1cc(C)n(-c2ccc(C(=O)NCc3cccc(-c4nn[n-]n4)c3)cc2)n1 ZINC000077319758 508300073 /nfs/dbraw/zinc/30/00/73/508300073.db2.gz KANJYQXCMYWNFA-UHFFFAOYSA-N -1 3 373.420 2.599 50 0 FFAAHM O=c1cc(CSc2ncnc3c2cnn3Cc2ccccc2)occ1[O-] ZINC000126526284 509090017 /nfs/dbraw/zinc/09/00/17/509090017.db2.gz GXZBBMLOEFEKFF-UHFFFAOYSA-N -1 3 366.402 2.826 50 0 FFAAHM O=C(N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc([O-])ccc1F ZINC000244691728 509864051 /nfs/dbraw/zinc/86/40/51/509864051.db2.gz JICZJNOJFOIPLW-FRIZHTMISA-N -1 3 357.381 2.708 50 0 FFAAHM Cc1cc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)cc2Cl)nn1C ZINC000244947614 509878164 /nfs/dbraw/zinc/87/81/64/509878164.db2.gz DTBMINSKIWDYET-UHFFFAOYSA-N -1 3 362.282 2.865 50 0 FFAAHM O=S(=O)([N-]Cc1nccnc1Cl)c1ccccc1C(F)(F)F ZINC000253431917 509882238 /nfs/dbraw/zinc/88/22/38/509882238.db2.gz YLSVTJRFVHZCAN-UHFFFAOYSA-N -1 3 351.737 2.627 50 0 FFAAHM O=C(NCCN1CCOCC1)c1ccc(-c2cc(Cl)ccc2[O-])cc1 ZINC000426479121 513952324 /nfs/dbraw/zinc/95/23/24/513952324.db2.gz RJKNUFUBSCYCFM-UHFFFAOYSA-N -1 3 360.841 2.775 50 0 FFAAHM CCN(C(=O)CSc1nc2c(nc[n-]c2=O)n1CC)c1cccc(C)c1 ZINC000085703859 519920825 /nfs/dbraw/zinc/92/08/25/519920825.db2.gz FOBKACNSHWSFAS-UHFFFAOYSA-N -1 3 371.466 2.593 50 0 FFAAHM O=C([O-])[C@@H]1CN(Cc2c[nH]c(CC3CCCC3)n2)C[C@H]1c1ccccn1 ZINC000091645123 526286782 /nfs/dbraw/zinc/28/67/82/526286782.db2.gz CFOQHNQCJUUMBJ-IAGOWNOFSA-N -1 3 354.454 2.838 50 0 FFAAHM O=C([O-])[C@@H]1CN(Cc2cnc(CC3CCCC3)[nH]2)C[C@H]1c1ccccn1 ZINC000091645123 526286788 /nfs/dbraw/zinc/28/67/88/526286788.db2.gz CFOQHNQCJUUMBJ-IAGOWNOFSA-N -1 3 354.454 2.838 50 0 FFAAHM Cc1onc(-c2ccccc2)c1C[N-]S(=O)(=O)c1cccc2nonc21 ZINC000001025113 219353537 /nfs/dbraw/zinc/35/35/37/219353537.db2.gz NXJIIPLZFORPKL-UHFFFAOYSA-N -1 3 370.390 2.665 50 0 FFAAHM CS(=O)(=O)Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2)cc1 ZINC000001137063 219378216 /nfs/dbraw/zinc/37/82/16/219378216.db2.gz ZBOQMILSXLQBAZ-UHFFFAOYSA-N -1 3 360.844 2.512 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 ZINC000001137063 219378220 /nfs/dbraw/zinc/37/82/20/219378220.db2.gz ZBOQMILSXLQBAZ-UHFFFAOYSA-N -1 3 360.844 2.512 50 0 FFAAHM COc1ccc(CNC(=O)Cc2c(C)c3ccc([O-])c(C)c3oc2=O)cc1 ZINC000004089059 219541141 /nfs/dbraw/zinc/54/11/41/219541141.db2.gz BEYNWNVQPQLFIP-UHFFFAOYSA-N -1 3 367.401 2.983 50 0 biogenic FFAAHM COC(=O)C[C@@H](c1ccc2c(c1)OCO2)c1oc2ccccc2c(=O)c1[O-] ZINC000253398036 222983328 /nfs/dbraw/zinc/98/33/28/222983328.db2.gz BVIYZBBKJSERHC-ZDUSSCGKSA-N -1 3 368.341 2.922 50 0 biogenic FFAAHM CC1(C)Cc2cccc(OCC(=O)Nc3cccc(-c4nnn[n-]4)c3)c2O1 ZINC000012619929 220014740 /nfs/dbraw/zinc/01/47/40/220014740.db2.gz KEMSFSMBZWQNET-UHFFFAOYSA-N -1 3 365.393 2.598 50 0 FFAAHM CC1(C)Cc2cccc(OCC(=O)Nc3cccc(-c4nn[n-]n4)c3)c2O1 ZINC000012619929 220014743 /nfs/dbraw/zinc/01/47/43/220014743.db2.gz KEMSFSMBZWQNET-UHFFFAOYSA-N -1 3 365.393 2.598 50 0 FFAAHM CSc1nc2nc(C)c(CC(=O)Nc3ccc(C)cc3[O-])c(C)n2n1 ZINC000012927087 220044372 /nfs/dbraw/zinc/04/43/72/220044372.db2.gz KIMAKIDXHSSPNT-UHFFFAOYSA-N -1 3 357.439 2.658 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCc1c[nH]c2ccc(Cl)cc12 ZINC000013641150 220080095 /nfs/dbraw/zinc/08/00/95/220080095.db2.gz LTURPUYIZOIHLR-UHFFFAOYSA-N -1 3 353.831 2.947 50 0 FFAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2ccc(-n3cccn3)cc2)c1 ZINC000014677287 220129968 /nfs/dbraw/zinc/12/99/68/220129968.db2.gz NZYNKCACNWMMGA-UHFFFAOYSA-N -1 3 371.418 2.601 50 0 FFAAHM O=C(Nc1cc(Cl)ccc1[O-])c1ccc(Cl)cc1-n1cnnn1 ZINC000020745468 220340437 /nfs/dbraw/zinc/34/04/37/220340437.db2.gz VUSJLCVFQKUOLO-UHFFFAOYSA-N -1 3 350.165 2.927 50 0 FFAAHM Nc1nccnc1C(=O)[N-]c1nnc(SCc2ccc(F)cc2)s1 ZINC000021951024 220372132 /nfs/dbraw/zinc/37/21/32/220372132.db2.gz GJEXJCHBGPBZAL-UHFFFAOYSA-N -1 3 362.415 2.594 50 0 FFAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1cccc(CN2CCOC2=O)c1 ZINC000048355138 221010653 /nfs/dbraw/zinc/01/06/53/221010653.db2.gz LUGFHYRKNJJUKW-UHFFFAOYSA-N -1 3 364.398 2.887 50 0 FFAAHM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3ccc(F)cc3)c2)n1 ZINC000055621149 221072799 /nfs/dbraw/zinc/07/27/99/221072799.db2.gz POHJWZIWVMRHLO-UHFFFAOYSA-N -1 3 373.409 2.939 50 0 FFAAHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000058209664 221107415 /nfs/dbraw/zinc/10/74/15/221107415.db2.gz YLYBKECWMVSKNJ-UHFFFAOYSA-N -1 3 356.695 2.915 50 0 FFAAHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1ccn(-c2cccc(Cl)c2)n1 ZINC000058209664 221107418 /nfs/dbraw/zinc/10/74/18/221107418.db2.gz YLYBKECWMVSKNJ-UHFFFAOYSA-N -1 3 356.695 2.915 50 0 FFAAHM Cc1cc2nc(SCC(=O)Nc3ccc4c(c3)CCC4)[n-]c(=O)c2[nH]1 ZINC000057521152 221091068 /nfs/dbraw/zinc/09/10/68/221091068.db2.gz WMHJIALYLHSASI-UHFFFAOYSA-N -1 3 354.435 2.779 50 0 FFAAHM CC(=O)N1CCc2sc(S(=O)(=O)[N-]C3CCCCCC3)cc2C1 ZINC000065196097 221178256 /nfs/dbraw/zinc/17/82/56/221178256.db2.gz WEIGBMQUJRYTKH-UHFFFAOYSA-N -1 3 356.513 2.654 50 0 FFAAHM CCN1CCn2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)cc2C1=O ZINC000065254711 221188938 /nfs/dbraw/zinc/18/89/38/221188938.db2.gz LKUGKLMHLVDAQT-UHFFFAOYSA-N -1 3 371.821 2.557 50 0 FFAAHM c1cc(-c2c(-c3ccccc3)ncn2Cc2nnn[n-]2)n(-c2cccnc2)c1 ZINC000067982878 221311987 /nfs/dbraw/zinc/31/19/87/221311987.db2.gz COJSOLSNDQPISB-UHFFFAOYSA-N -1 3 368.404 2.964 50 0 FFAAHM c1cc(-c2c(-c3ccccc3)ncn2Cc2nn[n-]n2)n(-c2cccnc2)c1 ZINC000067982878 221311988 /nfs/dbraw/zinc/31/19/88/221311988.db2.gz COJSOLSNDQPISB-UHFFFAOYSA-N -1 3 368.404 2.964 50 0 FFAAHM C[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@H](c2ccccc2)O1 ZINC000068651776 221316214 /nfs/dbraw/zinc/31/62/14/221316214.db2.gz WRTOSGSPCOSYJX-YVEFUNNKSA-N -1 3 365.389 2.564 50 0 FFAAHM C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331568343 258191204 /nfs/dbraw/zinc/19/12/04/258191204.db2.gz PQHQRYNTCZNGLV-KSSFIOAISA-N -1 3 374.462 2.660 50 0 FFAAHM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)N1CCSc2ccccc21 ZINC000294276497 132305675 /nfs/dbraw/zinc/30/56/75/132305675.db2.gz SQTHSLBUFZWVEO-DZKIICNBSA-N -1 3 360.479 2.843 50 0 FFAAHM O=C(Nc1ccc(Cl)cc1F)c1ccc(N2[N-]C(=O)CCC2=O)cc1 ZINC000058166306 136130632 /nfs/dbraw/zinc/13/06/32/136130632.db2.gz BHLOYDIWTSYMFY-UHFFFAOYSA-N -1 3 361.760 2.889 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccnn2C)S1 ZINC000096116926 222032412 /nfs/dbraw/zinc/03/24/12/222032412.db2.gz MWQUDSWGKJPMOG-RISCZKNCSA-N -1 3 361.471 2.926 50 0 FFAAHM O=C(c1ccsc1)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000065260238 506277420 /nfs/dbraw/zinc/27/74/20/506277420.db2.gz WRVLGSJKUDONIT-UHFFFAOYSA-N -1 3 355.394 2.836 50 0 FFAAHM NS(=O)(=O)c1ccc(Nc2nc(-c3ccc(O)cc3[O-])cs2)cc1 ZINC000002813786 506296542 /nfs/dbraw/zinc/29/65/42/506296542.db2.gz GOBNGGDCRDDODL-UHFFFAOYSA-N -1 3 363.420 2.612 50 0 FFAAHM O=C(Nc1ccccc1[O-])C1CCN(CC[S@](=O)c2ccccc2)CC1 ZINC000032938025 506316111 /nfs/dbraw/zinc/31/61/11/506316111.db2.gz HZBZMOWEHKLKJV-AREMUKBSSA-N -1 3 372.490 2.851 50 0 FFAAHM Cc1ccn2cc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)nc2c1 ZINC000004248499 506366011 /nfs/dbraw/zinc/36/60/11/506366011.db2.gz HRICXVLAEKOLJQ-UHFFFAOYSA-N -1 3 355.872 2.879 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)C[C@@H](NCc1ccco1)C(=O)[O-] ZINC000004318935 506372018 /nfs/dbraw/zinc/37/20/18/506372018.db2.gz DHDDZLVDDDJJIT-CYBMUJFWSA-N -1 3 352.774 2.513 50 0 FFAAHM COc1ccc(-n2c(COc3ccc4c(c3)OCO4)n[n-]c2=S)cc1 ZINC000004331374 506373574 /nfs/dbraw/zinc/37/35/74/506373574.db2.gz BDPKJHAVQKBRDG-UHFFFAOYSA-N -1 3 357.391 2.872 50 0 FFAAHM Nc1c2cc3c(nc2sc1C(=O)[N-]c1nncs1)C1CCN3CC1 ZINC000004708043 506390068 /nfs/dbraw/zinc/39/00/68/506390068.db2.gz WXEBFKJLPALIBM-UHFFFAOYSA-N -1 3 358.452 2.680 50 0 FFAAHM COC(=O)[C@]([O-])(CC(=O)Nc1cc(Cl)ccc1Cl)C(F)(F)F ZINC000004893696 506402333 /nfs/dbraw/zinc/40/23/33/506402333.db2.gz GVLDICCAKAUCIX-LLVKDONJSA-N -1 3 360.115 2.788 50 0 FFAAHM COc1cccc(C(=O)N2NC(c3ccccn3)=C[C@@]2([O-])C(F)(F)F)c1 ZINC000004899215 506403835 /nfs/dbraw/zinc/40/38/35/506403835.db2.gz VZYUXTBFDKBXIW-MRXNPFEDSA-N -1 3 365.311 2.591 50 0 FFAAHM O=C([N-]c1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000040086753 506464960 /nfs/dbraw/zinc/46/49/60/506464960.db2.gz RTNMEQSRNHNENR-UHFFFAOYSA-N -1 3 370.377 2.985 50 0 FFAAHM CCSc1nnc([N-]C(=O)c2cc(OC)c(OC)cc2OC)s1 ZINC000006232390 506473001 /nfs/dbraw/zinc/47/30/01/506473001.db2.gz PKSRHZJJTWFOMI-UHFFFAOYSA-N -1 3 355.441 2.928 50 0 FFAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)N(C(C)=O)CCO2 ZINC000006778668 506505335 /nfs/dbraw/zinc/50/53/35/506505335.db2.gz VKPVWFIDCCCQGY-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM O=c1[n-]nc(SCCOc2ccc(Br)cc2)n1C1CC1 ZINC000008212795 506631625 /nfs/dbraw/zinc/63/16/25/506631625.db2.gz MPNZNFHHCWOVNS-UHFFFAOYSA-N -1 3 356.245 2.840 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N[C@@H]2CCSc3c(F)cccc32)c(=O)[n-]1 ZINC000008774743 506668446 /nfs/dbraw/zinc/66/84/46/506668446.db2.gz VMGBDYZVKXXGKZ-OAHLLOKOSA-N -1 3 361.442 2.812 50 0 FFAAHM O=S(=O)([N-]CCOc1ccc(-c2cccs2)nn1)c1cccs1 ZINC000009853664 506714902 /nfs/dbraw/zinc/71/49/02/506714902.db2.gz FLGXUQBQTYLFSX-UHFFFAOYSA-N -1 3 367.477 2.624 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1Cl ZINC000010063780 506724482 /nfs/dbraw/zinc/72/44/82/506724482.db2.gz KYZLZSNSVFOOQR-UHFFFAOYSA-N -1 3 366.826 2.668 50 0 FFAAHM O=C([O-])[C@H](CC(=O)Nc1ccc(Br)cc1)NCc1ccco1 ZINC000010186508 506730426 /nfs/dbraw/zinc/73/04/26/506730426.db2.gz VJDHBAJFOXXNKK-ZDUSSCGKSA-N -1 3 367.199 2.614 50 0 FFAAHM CCC[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000011635211 506785384 /nfs/dbraw/zinc/78/53/84/506785384.db2.gz BRXHNJHDCWQRFT-UHFFFAOYSA-N -1 3 357.067 2.900 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)NCc1ccc(OC(F)F)cc1 ZINC000011836999 506798136 /nfs/dbraw/zinc/79/81/36/506798136.db2.gz GPSHWZKEUSTXHV-UHFFFAOYSA-N -1 3 369.393 2.591 50 0 FFAAHM COc1cccc2c1[n-]cc(C(=O)Nc1cccc(NC(C)=O)c1)c2=O ZINC000044922056 506902349 /nfs/dbraw/zinc/90/23/49/506902349.db2.gz AXYCWNRRWRDBMI-UHFFFAOYSA-N -1 3 351.362 2.747 50 0 FFAAHM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccc(F)cc1F)OCCN2C ZINC000015677362 507053928 /nfs/dbraw/zinc/05/39/28/507053928.db2.gz DVPJVNWLGUFMRQ-UHFFFAOYSA-N -1 3 354.378 2.903 50 0 FFAAHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1cccc(Cl)c1 ZINC000047277317 507299566 /nfs/dbraw/zinc/29/95/66/507299566.db2.gz IZARMVAKBWDEOS-UHFFFAOYSA-N -1 3 366.826 2.838 50 0 FFAAHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@H](c1ccccc1)C1CC1 ZINC000024052323 507388844 /nfs/dbraw/zinc/38/88/44/507388844.db2.gz LKQKJKHUMYHGNB-QGZVFWFLSA-N -1 3 365.476 2.520 50 0 FFAAHM CC(C)c1ccc([O-])c(C(=O)N2CCN(C(=O)c3cccnc3)CC2)c1 ZINC000058401435 507414198 /nfs/dbraw/zinc/41/41/98/507414198.db2.gz NUZCHFJZOGYBLW-UHFFFAOYSA-N -1 3 353.422 2.509 50 0 FFAAHM COc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1Cl ZINC000028228234 507714733 /nfs/dbraw/zinc/71/47/33/507714733.db2.gz SKIQZLPOKVOQCA-CYBMUJFWSA-N -1 3 352.774 2.513 50 0 FFAAHM C[C@@H](C1CCN(C(=O)c2ccc(Cl)cc2[O-])CC1)N1CCOCC1 ZINC000072453465 507793378 /nfs/dbraw/zinc/79/33/78/507793378.db2.gz OCHMTNINEKZJTE-ZDUSSCGKSA-N -1 3 352.862 2.619 50 0 FFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(Cn3cncn3)cc2)cc1 ZINC000031776565 507821658 /nfs/dbraw/zinc/82/16/58/507821658.db2.gz UAVPVAZFKAAEBJ-UHFFFAOYSA-N -1 3 358.423 2.526 50 0 FFAAHM CCOc1ccccc1OC1CCN(Cc2nc(CC)cc(=O)[n-]2)CC1 ZINC000079102177 507933324 /nfs/dbraw/zinc/93/33/24/507933324.db2.gz XRDUAOSYYNBHML-UHFFFAOYSA-N -1 3 357.454 2.774 50 0 FFAAHM COCC[C@@]1(C(=O)[O-])CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000092107896 508045736 /nfs/dbraw/zinc/04/57/36/508045736.db2.gz TWODVRBLAWNBMP-KRWDZBQOSA-N -1 3 355.818 2.772 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)cc1F ZINC000095360674 508176351 /nfs/dbraw/zinc/17/63/51/508176351.db2.gz ADLWPBUTLQHTFK-LJQANCHMSA-N -1 3 373.428 2.563 50 0 FFAAHM CCc1ccc(Cn2nc(C3CCCC3)nc2-c2c[nH]c(=O)[n-]c2=O)cc1 ZINC000095366290 508177521 /nfs/dbraw/zinc/17/75/21/508177521.db2.gz FGGSRDYDPNYPOH-UHFFFAOYSA-N -1 3 365.437 2.590 50 0 FFAAHM CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@H](C(=O)[O-])c1cccnc1 ZINC000095390882 508183438 /nfs/dbraw/zinc/18/34/38/508183438.db2.gz ZEVRWTXLGIPZJH-IBGZPJMESA-N -1 3 367.449 2.965 50 0 FFAAHM COCCn1c(C(=O)Nc2n[n-]c([C@H]3CCCO3)n2)cc2ccccc21 ZINC000095478450 508188967 /nfs/dbraw/zinc/18/89/67/508188967.db2.gz MJRKZCZQTHVNTF-OAHLLOKOSA-N -1 3 355.398 2.510 50 0 FFAAHM CC(C)c1ncc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)cn1 ZINC000095523071 508194869 /nfs/dbraw/zinc/19/48/69/508194869.db2.gz DWVVEEXBVQIQCR-OXQOHEQNSA-N -1 3 353.422 2.663 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CN(C(=O)c1ccc3nc(-c4ccccc4)cn3c1)C2 ZINC000082100240 508225526 /nfs/dbraw/zinc/22/55/26/508225526.db2.gz BFWJAXJPFHSKLS-UHFFFAOYSA-N -1 3 371.400 2.549 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc(=O)[n-]1 ZINC000082147457 508226688 /nfs/dbraw/zinc/22/66/88/508226688.db2.gz RMWNOCPUBCUDCD-AWEZNQCLSA-N -1 3 350.422 2.590 50 0 FFAAHM O=c1[n-]c(NCc2nc(-c3ccc(F)cc3)cs2)nc2c1CCNC2 ZINC000077338983 508301647 /nfs/dbraw/zinc/30/16/47/508301647.db2.gz AURVKGYUTHLGKF-UHFFFAOYSA-N -1 3 357.414 2.703 50 0 FFAAHM Cn1c(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)cc2c1cccc2Cl ZINC000216322607 509260078 /nfs/dbraw/zinc/26/00/78/509260078.db2.gz HIHRLBDBUPXXLM-LBPRGKRZSA-N -1 3 370.840 2.935 50 0 FFAAHM Cc1ccc(S(=O)(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000245295473 509885800 /nfs/dbraw/zinc/88/58/00/509885800.db2.gz FZNXBYJDVXYNJA-JSGCOSHPSA-N -1 3 362.373 2.796 50 0 FFAAHM CCN(C(=O)c1cccc(-c2cc(Cl)ccc2[O-])c1)[C@H]1COC[C@@H]1O ZINC000426623389 513997769 /nfs/dbraw/zinc/99/77/69/513997769.db2.gz YUXQZXCBHNMGAA-WMZOPIPTSA-N -1 3 361.825 2.934 50 0 FFAAHM COC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000334160287 534202979 /nfs/dbraw/zinc/20/29/79/534202979.db2.gz ACVOAOLTYDAYPJ-UHFFFAOYSA-N -1 3 358.379 2.582 50 0 FFAAHM COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000334160287 534202981 /nfs/dbraw/zinc/20/29/81/534202981.db2.gz ACVOAOLTYDAYPJ-UHFFFAOYSA-N -1 3 358.379 2.582 50 0 FFAAHM COC(=O)c1ccc(NC(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000334160287 534202987 /nfs/dbraw/zinc/20/29/87/534202987.db2.gz ACVOAOLTYDAYPJ-UHFFFAOYSA-N -1 3 358.379 2.582 50 0 FFAAHM O=C([O-])CC[C@H]1CN(Cc2ccccc2Cl)CC[C@H]1N1CCOCC1 ZINC000299796575 534495604 /nfs/dbraw/zinc/49/56/04/534495604.db2.gz OVBCJIPGUSJEML-FUHWJXTLSA-N -1 3 366.889 2.728 50 0 FFAAHM CCCn1ncc(CN2C[C@@H](c3ccccc3OC)[C@H](C(=O)[O-])C2)c1C ZINC000091664569 521672333 /nfs/dbraw/zinc/67/23/33/521672333.db2.gz RCGBRKWSOJRUDN-ZWKOTPCHSA-N -1 3 357.454 2.910 50 0 FFAAHM O=C([N-]c1cccc(F)c1F)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000089768156 527355984 /nfs/dbraw/zinc/35/59/84/527355984.db2.gz MZKCOSRSGCDNFR-UHFFFAOYSA-N -1 3 370.377 2.985 50 0 FFAAHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@H]1CCOc3ccccc31)c2=O ZINC000046901325 570876001 /nfs/dbraw/zinc/87/60/01/570876001.db2.gz QOEBFLRBNQFNHI-INIZCTEOSA-N -1 3 350.374 2.790 50 0 FFAAHM Cc1csc(S(=O)(=O)[N-][C@@H](C)c2nc(-c3ccccn3)no2)c1 ZINC000670447832 571351410 /nfs/dbraw/zinc/35/14/10/571351410.db2.gz FDGUIZGGCWKJCV-JTQLQIEISA-N -1 3 350.425 2.541 50 0 FFAAHM Cc1csc(C[N-]S(=O)(=O)c2cc(-c3ccno3)sc2C)n1 ZINC000825258249 999302750 /nfs/dbraw/zinc/30/27/50/999302750.db2.gz IFJYERBTYOEPDB-UHFFFAOYSA-N -1 3 355.466 2.955 50 0 FFAAHM Cn1nc(C(=O)[O-])c2c1CCN(Cc1cc(CN3CCCCC3)cs1)C2 ZINC000828571146 999574075 /nfs/dbraw/zinc/57/40/75/999574075.db2.gz OXNDFWJUBBAHAJ-UHFFFAOYSA-N -1 3 374.510 2.724 50 0 FFAAHM Cc1ccc(C)c([C@H](C(=O)[O-])N2CCCN(C(=O)c3ccco3)CC2)c1 ZINC001506406778 1059498554 /nfs/dbraw/zinc/49/85/54/1059498554.db2.gz JELKAFXFHSMKKS-GOSISDBHSA-N -1 3 356.422 2.870 50 0 FFAAHM CCn1ncc(-n2c(Cn3nc(C(F)F)cc3C)n[n-]c2=S)c1C ZINC000008339766 219860853 /nfs/dbraw/zinc/86/08/53/219860853.db2.gz XWVZRFPALADMBI-UHFFFAOYSA-N -1 3 353.402 2.572 50 0 FFAAHM CCOC(=O)[C@H]1CSCCN1Cn1nc(-c2ccccc2)[n-]c1=S ZINC000012740384 220024063 /nfs/dbraw/zinc/02/40/63/220024063.db2.gz CSLVEVWUKBYMNX-CYBMUJFWSA-N -1 3 364.496 2.546 50 0 FFAAHM O=C([N-]c1nnc([C@H]2CC(=O)N(c3ccccc3)C2)s1)c1ccco1 ZINC000012862564 220036567 /nfs/dbraw/zinc/03/65/67/220036567.db2.gz UZEAWYGOGFCJCX-NSHDSACASA-N -1 3 354.391 2.904 50 0 FFAAHM C[N-]S(=O)(=O)c1ccc(CNc2ncnc3sc(C)c(C)c32)s1 ZINC000014169462 220112105 /nfs/dbraw/zinc/11/21/05/220112105.db2.gz QVLQXMZBLYNTCM-UHFFFAOYSA-N -1 3 368.509 2.890 50 0 FFAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc2n1 ZINC000014354398 220123854 /nfs/dbraw/zinc/12/38/54/220123854.db2.gz RUKVRZKHSPFYCP-QWRGUYRKSA-N -1 3 360.483 2.944 50 0 FFAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)Nc1cccc2c1CCCC2 ZINC000018116292 220223368 /nfs/dbraw/zinc/22/33/68/220223368.db2.gz ISWPBEYFSUDYFX-UHFFFAOYSA-N -1 3 363.417 2.597 50 0 FFAAHM CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2c1nc[n-]c2=O ZINC000020214909 220317519 /nfs/dbraw/zinc/31/75/19/220317519.db2.gz AZACDCOEDNUPQA-UHFFFAOYSA-N -1 3 371.466 2.994 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)CCc2nnc(-c3ccccc3)o2)on1 ZINC000021913101 220371122 /nfs/dbraw/zinc/37/11/22/220371122.db2.gz DWEXEWWGCZBKPK-GFCCVEGCSA-N -1 3 370.365 2.536 50 0 FFAAHM COc1ccc([C@@H]2CCCN2C(=O)c2ccc3n[n-]nc3c2)cc1OC ZINC000048302902 221006477 /nfs/dbraw/zinc/00/64/77/221006477.db2.gz ZKLCLGQTNUTSAD-INIZCTEOSA-N -1 3 352.394 2.952 50 0 FFAAHM CC[C@@H](C)[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000054635095 221053709 /nfs/dbraw/zinc/05/37/09/221053709.db2.gz JMTVLVPQHLDTSU-ZMZPIMSZSA-N -1 3 367.453 2.709 50 0 FFAAHM CCc1ccc(OCCN(C)C(=O)c2ccccc2-c2nnn[n-]2)cc1 ZINC000055360786 221066826 /nfs/dbraw/zinc/06/68/26/221066826.db2.gz SUONDOIVMJCVFF-UHFFFAOYSA-N -1 3 351.410 2.580 50 0 FFAAHM CCc1ccc(OCCN(C)C(=O)c2ccccc2-c2nn[n-]n2)cc1 ZINC000055360786 221066829 /nfs/dbraw/zinc/06/68/29/221066829.db2.gz SUONDOIVMJCVFF-UHFFFAOYSA-N -1 3 351.410 2.580 50 0 FFAAHM COc1ccc(C(=O)N2CCC(C(=O)N3CCC(C)CC3)CC2)c([O-])c1 ZINC000058244829 221110665 /nfs/dbraw/zinc/11/06/65/221110665.db2.gz QTMRAFPKYRIJBW-UHFFFAOYSA-N -1 3 360.454 2.512 50 0 FFAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCCCc2ccccc21 ZINC000058356321 221115615 /nfs/dbraw/zinc/11/56/15/221115615.db2.gz QDFHHWXXBPYZNN-UHFFFAOYSA-N -1 3 363.417 2.862 50 0 FFAAHM CCn1cc(-c2c(-c3ccccc3)ncn2CCc2cc(=O)[n-]cn2)cn1 ZINC000065528230 221231636 /nfs/dbraw/zinc/23/16/36/221231636.db2.gz VKJLORIYVPNUNP-UHFFFAOYSA-N -1 3 360.421 2.760 50 0 FFAAHM COc1cccc(NC(=O)C[C@@H](CN2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000071279443 221337260 /nfs/dbraw/zinc/33/72/60/221337260.db2.gz XOVCCVQWAOHQST-KRWDZBQOSA-N -1 3 368.433 2.783 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064589511 136133442 /nfs/dbraw/zinc/13/34/42/136133442.db2.gz KEKGGWJRWBWNCN-UHFFFAOYSA-N -1 3 371.412 2.918 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1 ZINC000064589452 136133474 /nfs/dbraw/zinc/13/34/74/136133474.db2.gz YYMLUDCUKAJVFJ-UHFFFAOYSA-N -1 3 371.412 2.918 50 0 FFAAHM Cn1nc(C[N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c2c1CCCC2 ZINC000096099174 222022763 /nfs/dbraw/zinc/02/27/63/222022763.db2.gz BSFYQYWWMREVLR-UHFFFAOYSA-N -1 3 357.838 2.570 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccc(=O)[nH]n3)ccc2C)cc1 ZINC000064787725 506225992 /nfs/dbraw/zinc/22/59/92/506225992.db2.gz XEBQNZCXOGZEHX-UHFFFAOYSA-N -1 3 371.418 2.555 50 0 FFAAHM CCOc1ccc(NC(=O)c2sccc2S(=O)(=O)[N-]C2CC2)cc1 ZINC000032855988 506304104 /nfs/dbraw/zinc/30/41/04/506304104.db2.gz VVJCGMDTHWRXKO-UHFFFAOYSA-N -1 3 366.464 2.840 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]c2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 ZINC000032933529 506314245 /nfs/dbraw/zinc/31/42/45/506314245.db2.gz HSEASHRTTDJPNQ-UHFFFAOYSA-N -1 3 355.419 2.855 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1NC(C)=O ZINC000005126734 506424341 /nfs/dbraw/zinc/42/43/41/506424341.db2.gz XWKWVENJCBYJTM-UHFFFAOYSA-N -1 3 356.350 2.733 50 0 FFAAHM Cc1ccccc1SCC(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040111257 506468568 /nfs/dbraw/zinc/46/85/68/506468568.db2.gz CSYRXWRSPLWIHR-LJQANCHMSA-N -1 3 369.446 2.780 50 0 FFAAHM COc1ccc(NC(=O)CSc2nnc(-c3ccccc3[O-])n2C)cc1 ZINC000006701961 506498535 /nfs/dbraw/zinc/49/85/35/506498535.db2.gz JWDRYGZFUWNANA-UHFFFAOYSA-N -1 3 370.434 2.927 50 0 FFAAHM O=c1[n-]nc(SCCOc2ccc(Cl)cc2)n1C[C@H]1CCCO1 ZINC000007349081 506557146 /nfs/dbraw/zinc/55/71/46/506557146.db2.gz IXNHCBYSYWQSAX-CYBMUJFWSA-N -1 3 355.847 2.575 50 0 FFAAHM C[C@H](NC(=O)CSc1n[n-]c([C@H]2CCCO2)n1)c1ccc(F)cc1 ZINC000008993803 506678367 /nfs/dbraw/zinc/67/83/67/506678367.db2.gz SBDDMYBFKFMJRU-GXFFZTMASA-N -1 3 350.419 2.765 50 0 FFAAHM COCCNC(=O)CSc1nnc([N-]c2ccccc2Cl)s1 ZINC000009154650 506682856 /nfs/dbraw/zinc/68/28/56/506682856.db2.gz JVXBLSRLKYMYRE-UHFFFAOYSA-N -1 3 358.876 2.790 50 0 FFAAHM O=C([N-]c1sc2c(c1C(=O)NCc1ccco1)CCC2)c1csnn1 ZINC000009250833 506687394 /nfs/dbraw/zinc/68/73/94/506687394.db2.gz PERYJCCJAJZNNG-UHFFFAOYSA-N -1 3 374.447 2.864 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1ccc(N(C)C)cc1 ZINC000011693682 506789690 /nfs/dbraw/zinc/78/96/90/506789690.db2.gz MJMXKIAFIPZGDX-UHFFFAOYSA-N -1 3 368.886 2.936 50 0 FFAAHM O=c1cc(-c2ccc(F)cc2)nc(N2CCN(c3ccccc3)CC2)[n-]1 ZINC000013999259 506960914 /nfs/dbraw/zinc/96/09/14/506960914.db2.gz QIHRYPSRCDBPDG-UHFFFAOYSA-N -1 3 350.397 2.903 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CCOc1cc(C)cc(C)c1 ZINC000023143520 507333878 /nfs/dbraw/zinc/33/38/78/507333878.db2.gz YVRILVHKWBMCOA-UHFFFAOYSA-N -1 3 353.415 2.808 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 ZINC000023244345 507341566 /nfs/dbraw/zinc/34/15/66/507341566.db2.gz YGRIYMWWXOBSOL-UHFFFAOYSA-N -1 3 362.436 2.762 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1cc(C(F)(F)F)ccc1Cl)C2 ZINC000072134400 507755007 /nfs/dbraw/zinc/75/50/07/507755007.db2.gz JZHHGCOVTAUCCX-UHFFFAOYSA-N -1 3 371.746 2.949 50 0 FFAAHM C[C@@H](C1CCN(C(=O)c2ccc3cccnc3c2[O-])CC1)N1CCOCC1 ZINC000072428526 507788991 /nfs/dbraw/zinc/78/89/91/507788991.db2.gz OILZPTRDFYZIKI-HNNXBMFYSA-N -1 3 369.465 2.513 50 0 FFAAHM CCOc1ccc(CN2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)cc1 ZINC000091270241 507977715 /nfs/dbraw/zinc/97/77/15/507977715.db2.gz PAEMSDBGRFJIHS-INIZCTEOSA-N -1 3 374.481 2.763 50 0 FFAAHM Cc1ccc(F)cc1CN1CCC2(CCC(=O)N([C@H](C)C(=O)[O-])C2)CC1 ZINC000091410204 507983573 /nfs/dbraw/zinc/98/35/73/507983573.db2.gz WSGBIPCREXUUOS-OAHLLOKOSA-N -1 3 362.445 2.812 50 0 FFAAHM O=C([O-])COc1ccccc1CN1CCC2(CCC(=O)N(C3CC3)C2)CC1 ZINC000091664860 508000633 /nfs/dbraw/zinc/00/06/33/508000633.db2.gz UUZGCJKJADLLCT-UHFFFAOYSA-N -1 3 372.465 2.517 50 0 FFAAHM C[C@](O)(CCc1ccccc1)C[N-]S(=O)(=O)Cc1cc(F)ccc1F ZINC000075170282 508087320 /nfs/dbraw/zinc/08/73/20/508087320.db2.gz NJFNJXLRCNXWLL-SFHVURJKSA-N -1 3 369.433 2.768 50 0 FFAAHM COc1ccc(Cl)cc1C(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000082097363 508225392 /nfs/dbraw/zinc/22/53/92/508225392.db2.gz QUJJENDUFQPOKL-GFCCVEGCSA-N -1 3 361.829 2.760 50 0 FFAAHM COc1ccc(OC)c([C@@H]2CCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000077438540 508315445 /nfs/dbraw/zinc/31/54/45/508315445.db2.gz BWPSHQAKHBZZMQ-CYBMUJFWSA-N -1 3 352.394 2.605 50 0 FFAAHM Cc1nc([C@@H]2CCCN(Cc3nn(C)c4cccc(Cl)c34)C2)cc(=O)[n-]1 ZINC000216303479 509259877 /nfs/dbraw/zinc/25/98/77/509259877.db2.gz LZGUODDTPJCCGF-CYBMUJFWSA-N -1 3 371.872 2.998 50 0 FFAAHM CC(C)c1nc(S(=O)(=O)[N-]CC[C@@H](O)c2cccc(Cl)c2)cn1C ZINC000225612075 509379512 /nfs/dbraw/zinc/37/95/12/509379512.db2.gz OFMRCTSRPBXXRD-CQSZACIVSA-N -1 3 371.890 2.599 50 0 FFAAHM COc1ccc(CN2CC[C@](O)(c3ccccc3C)C2)cc1OCC(=O)[O-] ZINC000534675287 517995974 /nfs/dbraw/zinc/99/59/74/517995974.db2.gz CAKDAFKRYNOQGJ-OAQYLSRUSA-N -1 3 371.433 2.561 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]C[C@@H](CO)Cc2ccco2)c(Cl)cc1F ZINC000535142991 518157910 /nfs/dbraw/zinc/15/79/10/518157910.db2.gz OYIAOZONCLFXCK-NSHDSACASA-N -1 3 361.822 2.510 50 0 FFAAHM O=C(NCc1nnc(C(F)(F)F)[n-]1)N1CCC(c2cccc(O)c2)CC1 ZINC000584899820 518529844 /nfs/dbraw/zinc/52/98/44/518529844.db2.gz QZJOIUSZLHDUKJ-UHFFFAOYSA-N -1 3 369.347 2.618 50 0 FFAAHM O=C(NCc1n[n-]c(C(F)(F)F)n1)N1CCC(c2cccc(O)c2)CC1 ZINC000584899820 518529852 /nfs/dbraw/zinc/52/98/52/518529852.db2.gz QZJOIUSZLHDUKJ-UHFFFAOYSA-N -1 3 369.347 2.618 50 0 FFAAHM CC(C)C(=O)N1CCn2nc(C[N-]c3nc(-c4ccccc4)no3)cc2C1 ZINC000299759244 527484609 /nfs/dbraw/zinc/48/46/09/527484609.db2.gz DDGXCUGAZBZKBO-UHFFFAOYSA-N -1 3 366.425 2.543 50 0 FFAAHM CCc1cc2c(CN3CCC[C@H]3[C@H](O)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000109757960 571059398 /nfs/dbraw/zinc/05/93/98/571059398.db2.gz BDUTXTKXNRRFAI-GUYCJALGSA-N -1 3 371.355 2.949 50 0 FFAAHM CCCc1cc(C[N-]S(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)on1 ZINC000670450780 571352612 /nfs/dbraw/zinc/35/26/12/571352612.db2.gz AKFNZSHWSIHYPX-UHFFFAOYSA-N -1 3 371.418 2.825 50 0 FFAAHM COc1nnc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)[n-]1 ZINC000182998227 729293368 /nfs/dbraw/zinc/29/33/68/729293368.db2.gz BNWCKDXTJUSFGC-UHFFFAOYSA-N -1 3 363.374 2.549 50 0 FFAAHM COc1nc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)n[n-]1 ZINC000182998227 729293369 /nfs/dbraw/zinc/29/33/69/729293369.db2.gz BNWCKDXTJUSFGC-UHFFFAOYSA-N -1 3 363.374 2.549 50 0 FFAAHM COc1n[n-]c(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)n1 ZINC000182998227 729293370 /nfs/dbraw/zinc/29/33/70/729293370.db2.gz BNWCKDXTJUSFGC-UHFFFAOYSA-N -1 3 363.374 2.549 50 0 FFAAHM CCc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1C(=O)COc1cccc(C)c1 ZINC000675010376 971484274 /nfs/dbraw/zinc/48/42/74/971484274.db2.gz IWICNTUZHPXVSK-CABCVRRESA-N -1 3 367.449 2.590 50 0 FFAAHM CCN(Cc1nc(-c2ccc(C)cc2)no1)Cc1c(CO)cnc(C)c1[O-] ZINC000952869275 1011002711 /nfs/dbraw/zinc/00/27/11/1011002711.db2.gz GTJRKTYVYNBQAO-UHFFFAOYSA-N -1 3 368.437 2.968 50 0 FFAAHM CCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCO3)N1 ZINC000000814216 219324643 /nfs/dbraw/zinc/32/46/43/219324643.db2.gz MOMQEOJTYQKCKA-HNNXBMFYSA-N -1 3 358.316 2.597 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C/C(=O)N3CCC3)cc2)cc1 ZINC000012605398 220013635 /nfs/dbraw/zinc/01/36/35/220013635.db2.gz MESWOIWEEOKYAP-LFYBBSHMSA-N -1 3 372.446 2.742 50 0 FFAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@H](c1ccco1)C3 ZINC000019962247 220309132 /nfs/dbraw/zinc/30/91/32/220309132.db2.gz DCQNMIFXTJMHMG-GFCCVEGCSA-N -1 3 367.405 2.637 50 0 FFAAHM O=S(=O)([N-]CCCOCC1CC1)c1ccc(Br)s1 ZINC000021700766 220363569 /nfs/dbraw/zinc/36/35/69/220363569.db2.gz HNVYDTZFNQAJEK-UHFFFAOYSA-N -1 3 354.291 2.606 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)on1 ZINC000021910429 220370814 /nfs/dbraw/zinc/37/08/14/220370814.db2.gz FXFGGHJTSVWPSO-NSHDSACASA-N -1 3 373.409 2.959 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)N1CCC(c2cc(=O)[n-]cn2)CC1 ZINC000023582234 220429204 /nfs/dbraw/zinc/42/92/04/220429204.db2.gz LEWWSGJFXCPEKP-UHFFFAOYSA-N -1 3 362.817 2.843 50 0 FFAAHM Cc1ccc(NC(=O)[C@H]2CCCN2S(=O)(=O)c2cccs2)c([O-])c1 ZINC000058192031 221104475 /nfs/dbraw/zinc/10/44/75/221104475.db2.gz OZCURWNLVGIWGU-CYBMUJFWSA-N -1 3 366.464 2.554 50 0 FFAAHM Cc1nc(CC[N-]S(=O)(=O)c2ccc(Cl)nc2Cl)cs1 ZINC000058417040 221118641 /nfs/dbraw/zinc/11/86/41/221118641.db2.gz WYDRKORABGIGHV-UHFFFAOYSA-N -1 3 352.268 2.674 50 0 FFAAHM CCOC(=O)C[C@H](c1cccc(Cl)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071279944 221336678 /nfs/dbraw/zinc/33/66/78/221336678.db2.gz RDDKXZGFZUAQNZ-CYBMUJFWSA-N -1 3 352.770 2.576 50 0 FFAAHM COc1cccc(NC(=O)C[C@H](CN2CCc3ccccc3C2)C(=O)[O-])c1 ZINC000071279444 221337049 /nfs/dbraw/zinc/33/70/49/221337049.db2.gz XOVCCVQWAOHQST-QGZVFWFLSA-N -1 3 368.433 2.783 50 0 FFAAHM CCOC(=O)C[C@@H](c1oc(CO)cc(=O)c1[O-])c1c(F)cccc1Cl ZINC000071283022 221338236 /nfs/dbraw/zinc/33/82/36/221338236.db2.gz QVFNAFMLUVKNMB-SNVBAGLBSA-N -1 3 370.760 2.715 50 0 FFAAHM C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331568347 258191153 /nfs/dbraw/zinc/19/11/53/258191153.db2.gz PQHQRYNTCZNGLV-RDTXWAMCSA-N -1 3 374.462 2.660 50 0 FFAAHM CCCCN1CCc2nc[nH]c2C12CCN(c1ccc(C(=O)[O-])cn1)CC2 ZINC000091351121 132201402 /nfs/dbraw/zinc/20/14/02/132201402.db2.gz FDQNHUMTLOFUEK-UHFFFAOYSA-N -1 3 369.469 2.657 50 0 FFAAHM Cc1cc(=O)[n-]c(N2CCC(NC(=O)c3ccc(F)c(Cl)c3)CC2)n1 ZINC000253537341 132294282 /nfs/dbraw/zinc/29/42/82/132294282.db2.gz PBXQNHZQIYOPDJ-UHFFFAOYSA-N -1 3 364.808 2.682 50 0 FFAAHM Nc1ccc(N2CCOCC2)c(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000003885407 132385786 /nfs/dbraw/zinc/38/57/86/132385786.db2.gz OPQBCYUORLCLHU-UHFFFAOYSA-N -1 3 367.858 2.560 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccnn2C)S1 ZINC000096116927 222032915 /nfs/dbraw/zinc/03/29/15/222032915.db2.gz MWQUDSWGKJPMOG-FZMZJTMJSA-N -1 3 361.471 2.926 50 0 FFAAHM Cc1cccc(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)[O-])C2)c1F ZINC000096139017 222042484 /nfs/dbraw/zinc/04/24/84/222042484.db2.gz XTDIMSCXZOYEFE-UWJYYQICSA-N -1 3 374.456 2.669 50 0 FFAAHM CC1(C)C[C@@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccnc2)CCO1 ZINC000096230804 222091438 /nfs/dbraw/zinc/09/14/38/222091438.db2.gz JWUFHKMNQOWBFV-WFASDCNBSA-N -1 3 374.466 2.889 50 0 FFAAHM COc1ccc2[nH]c(C(=O)N3CCC(c4cc(=O)[n-]cn4)CC3)c(C)c2c1 ZINC000097117033 222161289 /nfs/dbraw/zinc/16/12/89/222161289.db2.gz BAJSUPPNXOVKPZ-UHFFFAOYSA-N -1 3 366.421 2.588 50 0 FFAAHM Cc1nn(C)c(C)c1C(=O)O[C@@H](C)c1nc(=O)c2c(C)c(C)sc2[n-]1 ZINC000010954013 263367082 /nfs/dbraw/zinc/36/70/82/263367082.db2.gz LZDUHQKKMLTQPX-JTQLQIEISA-N -1 3 360.439 2.870 50 0 FFAAHM Cc1ccc(C(=O)CCC(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000024883539 263387772 /nfs/dbraw/zinc/38/77/72/263387772.db2.gz NZULIHZLCVXIRS-UHFFFAOYSA-N -1 3 360.435 2.968 50 0 FFAAHM CCOC(=O)N[C@]([N-]c1ccc(F)c(F)c1)(C(=O)OCC)C(F)(F)F ZINC000002317001 506275764 /nfs/dbraw/zinc/27/57/64/506275764.db2.gz IBCXUZHHULLMJR-CYBMUJFWSA-N -1 3 370.274 2.945 50 0 FFAAHM COc1ccc(-c2nnc3c4cnn(-c5ccccc5)c4ncn32)c([O-])c1 ZINC000002345168 506277442 /nfs/dbraw/zinc/27/74/42/506277442.db2.gz APBYXSCDNMQDHP-UHFFFAOYSA-N -1 3 358.361 2.844 50 0 FFAAHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nnn[n-]2)cc1 ZINC000032776871 506293666 /nfs/dbraw/zinc/29/36/66/506293666.db2.gz YMVLEQWZTUIZKN-KRWDZBQOSA-N -1 3 365.393 2.677 50 0 FFAAHM O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1ccc(-c2nn[n-]n2)cc1 ZINC000032776871 506293671 /nfs/dbraw/zinc/29/36/71/506293671.db2.gz YMVLEQWZTUIZKN-KRWDZBQOSA-N -1 3 365.393 2.677 50 0 FFAAHM Cc1cccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)c1 ZINC000002869473 506298622 /nfs/dbraw/zinc/29/86/22/506298622.db2.gz FGCHQUQUIASDKG-UHFFFAOYSA-N -1 3 374.462 2.797 50 0 FFAAHM CCOC(=O)N(CC)c1ccc([C@@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002900762 506299816 /nfs/dbraw/zinc/29/98/16/506299816.db2.gz WEKRDEAIVQJPIK-OAHLLOKOSA-N -1 3 363.332 2.982 50 0 FFAAHM O=S(=O)([N-]Cc1ncc(-c2ccccc2)o1)c1cccc2nsnc21 ZINC000032932843 506314325 /nfs/dbraw/zinc/31/43/25/506314325.db2.gz KDSRJBDBIOYZPL-UHFFFAOYSA-N -1 3 372.431 2.825 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(F)c2)ccc1Cl ZINC000003437775 506330949 /nfs/dbraw/zinc/33/09/49/506330949.db2.gz WDOGKSZJKPPRPE-UHFFFAOYSA-N -1 3 360.769 2.779 50 0 FFAAHM O=C([O-])[C@H](CC(=O)c1ccc(Br)cc1)NCc1cccnc1 ZINC000004054225 506356212 /nfs/dbraw/zinc/35/62/12/506356212.db2.gz GELPBIQZKAXKIU-AWEZNQCLSA-N -1 3 363.211 2.660 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)ccc1Cl)NCc1ccccn1 ZINC000004187988 506364854 /nfs/dbraw/zinc/36/48/54/506364854.db2.gz QYBUACMPIZEXLI-CQSZACIVSA-N -1 3 368.220 2.960 50 0 FFAAHM Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)c1cccc2c(Br)cccc12 ZINC000004484346 506377801 /nfs/dbraw/zinc/37/78/01/506377801.db2.gz KXOKOPGKZYOXGG-UHFFFAOYSA-N -1 3 374.194 2.540 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]CCOc2ccccc2)c(OC)cc1Cl ZINC000004717812 506389666 /nfs/dbraw/zinc/38/96/66/506389666.db2.gz YXVGDYAYGAWHBL-UHFFFAOYSA-N -1 3 371.842 2.715 50 0 FFAAHM CC[C@H](Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1)C(=O)OC ZINC000006002891 506464274 /nfs/dbraw/zinc/46/42/74/506464274.db2.gz DNVRNYHOPBKPIU-ZDUSSCGKSA-N -1 3 358.423 2.873 50 0 FFAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccnc1 ZINC000007059622 506530291 /nfs/dbraw/zinc/53/02/91/506530291.db2.gz VTXJFJNNMFHMFU-UHFFFAOYSA-N -1 3 371.256 2.721 50 0 FFAAHM O=C(OCc1cc2c(cc1Br)OCO2)c1ccc([O-])cc1O ZINC000007294100 506550654 /nfs/dbraw/zinc/55/06/54/506550654.db2.gz GLHQFFRPDQHCKO-UHFFFAOYSA-N -1 3 367.151 2.946 50 0 FFAAHM CCn1ncc(-n2c(Cn3nc(C(F)(F)F)cc3C)n[n-]c2=S)c1C ZINC000008339758 506644481 /nfs/dbraw/zinc/64/44/81/506644481.db2.gz SROPZFPTXAGHMD-UHFFFAOYSA-N -1 3 371.392 2.653 50 0 FFAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCc2cccc3cccnc32)c1 ZINC000011387342 506774961 /nfs/dbraw/zinc/77/49/61/506774961.db2.gz CADMJHQUOWAQQJ-UHFFFAOYSA-N -1 3 356.403 2.963 50 0 FFAAHM CCCn1c(=O)[n-]nc1SCC(=O)N(C)[C@H](C)c1ccc(F)cc1 ZINC000011651146 506785505 /nfs/dbraw/zinc/78/55/05/506785505.db2.gz YCXGAFVILMFKHT-LLVKDONJSA-N -1 3 352.435 2.845 50 0 FFAAHM Cc1ccccc1SCC(=O)N1CCC[C@@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000023542773 507358986 /nfs/dbraw/zinc/35/89/86/507358986.db2.gz PEHHZTMFDXMWGZ-OAHLLOKOSA-N -1 3 357.479 2.885 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000072312123 507775125 /nfs/dbraw/zinc/77/51/25/507775125.db2.gz INESAZZBYNDGFC-GOSISDBHSA-N -1 3 373.796 2.656 50 0 FFAAHM Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1cccc2ncccc21 ZINC000072403529 507782921 /nfs/dbraw/zinc/78/29/21/507782921.db2.gz UEAKLCWBMGLPGK-UHFFFAOYSA-N -1 3 360.373 2.597 50 0 FFAAHM O=C([O-])C1(n2cccn2)CCN(Cc2ccc3cc(F)ccc3n2)CC1 ZINC000072408416 507784511 /nfs/dbraw/zinc/78/45/11/507784511.db2.gz BXLWXDYEJGQMJP-UHFFFAOYSA-N -1 3 354.385 2.646 50 0 FFAAHM Cc1nc(CNc2cc(-c3ccc(F)cc3)nc3ccnn32)cc(=O)[n-]1 ZINC000072419264 507786924 /nfs/dbraw/zinc/78/69/24/507786924.db2.gz OSVJCIRBIGHDCZ-UHFFFAOYSA-N -1 3 350.357 2.539 50 0 FFAAHM O=C(c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1)N1CCCC1 ZINC000030529580 507809903 /nfs/dbraw/zinc/80/99/03/507809903.db2.gz XEBDRXOBESOGDU-QGOAFFKASA-N -1 3 361.401 2.646 50 0 FFAAHM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccccc3F)c2C)o1 ZINC000075504768 508112133 /nfs/dbraw/zinc/11/21/33/508112133.db2.gz OQJPELLSOOIBAM-UHFFFAOYSA-N -1 3 350.375 2.930 50 0 FFAAHM O[C@H](Cn1cc(-c2ccc(-c3nnn[n-]3)cc2)nn1)c1ccccc1Cl ZINC000095357695 508175322 /nfs/dbraw/zinc/17/53/22/508175322.db2.gz RYXYFOBVKCPGFL-MRXNPFEDSA-N -1 3 367.800 2.512 50 0 FFAAHM O[C@H](Cn1cc(-c2ccc(-c3nn[n-]n3)cc2)nn1)c1ccccc1Cl ZINC000095357695 508175324 /nfs/dbraw/zinc/17/53/24/508175324.db2.gz RYXYFOBVKCPGFL-MRXNPFEDSA-N -1 3 367.800 2.512 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)cc1F ZINC000095371083 508178242 /nfs/dbraw/zinc/17/82/42/508178242.db2.gz HSUBGVGEKAYBPD-LJQANCHMSA-N -1 3 373.428 2.563 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(F)c(Cl)c2)o1 ZINC000095472128 508187559 /nfs/dbraw/zinc/18/75/59/508187559.db2.gz AYFVBWQPCBOYMO-NSHDSACASA-N -1 3 370.760 2.979 50 0 FFAAHM COc1cc2n[n-]nc2cc1C(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000096013684 508203243 /nfs/dbraw/zinc/20/32/43/508203243.db2.gz LFJNQOJNMFBOIO-UHFFFAOYSA-N -1 3 355.373 2.958 50 0 FFAAHM CCOc1ccc(-c2ccnc(NC[C@@H]3CCN(C)C3)n2)cc1C(=O)[O-] ZINC000077506113 508325716 /nfs/dbraw/zinc/32/57/16/508325716.db2.gz APLXGCPUAPQKAK-ZDUSSCGKSA-N -1 3 356.426 2.604 50 0 FFAAHM Cc1nc(C)c(CC(=O)N[C@@H]2CC3(CCCC3)Oc3ccccc32)c(=O)[n-]1 ZINC000129762069 508763198 /nfs/dbraw/zinc/76/31/98/508763198.db2.gz JCSNMMCJJAGJIS-QGZVFWFLSA-N -1 3 367.449 2.882 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H]1CCCN1c1ccccc1 ZINC000211121647 509240530 /nfs/dbraw/zinc/24/05/30/509240530.db2.gz KULCTUJVCZOOPN-MRXNPFEDSA-N -1 3 364.442 2.782 50 0 FFAAHM C[C@@H](Oc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1)C(=O)[O-] ZINC000215301301 509246837 /nfs/dbraw/zinc/24/68/37/509246837.db2.gz GKYBFZLBDKNKLB-QGZVFWFLSA-N -1 3 369.465 2.641 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)Cc3noc4ccccc34)C2)cc(=O)[n-]1 ZINC000219373201 509287088 /nfs/dbraw/zinc/28/70/88/509287088.db2.gz OAEPBRPTEAYWTO-ZDUSSCGKSA-N -1 3 352.394 2.581 50 0 FFAAHM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000237050999 509560080 /nfs/dbraw/zinc/56/00/80/509560080.db2.gz YNKHDOXMYKFXEK-ZBFHGGJFSA-N -1 3 350.434 2.749 50 0 FFAAHM O=C(Nc1ncccc1[O-])[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000192735328 509620174 /nfs/dbraw/zinc/62/01/74/509620174.db2.gz VZSOHQAOTAVACO-IIFATDLDSA-N -1 3 369.465 2.933 50 0 FFAAHM O=C(Nc1ncccc1[O-])[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000192735351 509620908 /nfs/dbraw/zinc/62/09/08/509620908.db2.gz VZSOHQAOTAVACO-HIHZZFLASA-N -1 3 369.465 2.933 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]C[C@@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000252500287 509845673 /nfs/dbraw/zinc/84/56/73/509845673.db2.gz SRICLJOHLSAOOY-AWEZNQCLSA-N -1 3 364.442 2.639 50 0 FFAAHM C[C@@H](c1cc(-c2ccccc2)n[nH]1)N(C)Cc1nc2c(cnn2C)c(=O)[n-]1 ZINC000253537381 509887328 /nfs/dbraw/zinc/88/73/28/509887328.db2.gz SYRIDYLFFCOATM-LBPRGKRZSA-N -1 3 363.425 2.652 50 0 FFAAHM CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@H](C)c3cccc([O-])c32)cc1 ZINC000274407277 511824307 /nfs/dbraw/zinc/82/43/07/511824307.db2.gz UQRAPFAOZXRVPN-ZDUSSCGKSA-N -1 3 374.462 2.844 50 0 FFAAHM NC(=O)[C@@H]1CCCN(C(=O)c2cccc(-c3cc(F)c(F)cc3[O-])c2)C1 ZINC000426503100 513962976 /nfs/dbraw/zinc/96/29/76/513962976.db2.gz GQWNHDWRBHZTQL-CYBMUJFWSA-N -1 3 360.360 2.675 50 0 FFAAHM O=C([O-])c1cccc(C(=O)Nc2cccc(CN3CCC(CO)CC3)c2)c1 ZINC000520235277 517313462 /nfs/dbraw/zinc/31/34/62/517313462.db2.gz VPORONSMFWDTAZ-UHFFFAOYSA-N -1 3 368.433 2.841 50 0 FFAAHM O=S(=O)([N-]Cc1nccnc1-c1ccco1)c1ccc(Cl)s1 ZINC000575621273 518239654 /nfs/dbraw/zinc/23/96/54/518239654.db2.gz ZQBBUHLCRMABOI-UHFFFAOYSA-N -1 3 355.828 2.930 50 0 FFAAHM Cc1nc(C2CCN(C(=O)Nc3ccc4c(c3)COC4)CC2)cc(=O)[n-]1 ZINC000299784387 534501954 /nfs/dbraw/zinc/50/19/54/534501954.db2.gz GXXCFYGUUUMXFI-UHFFFAOYSA-N -1 3 354.410 2.932 50 0 FFAAHM CC(C)n1[n-]ccc1=NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1C ZINC000606346595 521032327 /nfs/dbraw/zinc/03/23/27/521032327.db2.gz PBRZLRURDYPJDL-ZDUSSCGKSA-N -1 3 370.482 2.801 50 0 FFAAHM CC(C)n1[n-]ccc1=NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1C ZINC000606346594 521033038 /nfs/dbraw/zinc/03/30/38/521033038.db2.gz PBRZLRURDYPJDL-CYBMUJFWSA-N -1 3 370.482 2.801 50 0 FFAAHM COc1cc(OC)c2c(c1)N(C(=O)CCc1c(C)nc(C)[n-]c1=O)CCC2 ZINC000630022670 522587094 /nfs/dbraw/zinc/58/70/94/522587094.db2.gz KXDGONQNWLCKFH-UHFFFAOYSA-N -1 3 371.437 2.728 50 0 FFAAHM O=c1[n-]c(NCC[C@H](c2ccco2)c2ccc(F)cc2)nc2c1CCNC2 ZINC000082098893 527440751 /nfs/dbraw/zinc/44/07/51/527440751.db2.gz OTTYTVQKRVGZKW-HNNXBMFYSA-N -1 3 368.412 2.782 50 0 FFAAHM CC(C)c1cc(C(=O)N2CCN(c3nc[nH]n3)CC2)c([O-])c(C(C)C)c1 ZINC000299800519 528019885 /nfs/dbraw/zinc/01/98/85/528019885.db2.gz STGQIUFDLBHDKB-UHFFFAOYSA-N -1 3 357.458 2.720 50 0 FFAAHM CC[C@H](C)Cc1nc(Cc2c(C)nc(C)[n-]c2=O)n(-c2ccncc2)n1 ZINC000952873206 1011004692 /nfs/dbraw/zinc/00/46/92/1011004692.db2.gz ILDCBZRTKKEXSC-LBPRGKRZSA-N -1 3 352.442 2.954 50 0 FFAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccccn1)C[C@@H]1CCCO1 ZINC000055413609 1018403678 /nfs/dbraw/zinc/40/36/78/1018403678.db2.gz JRCLCESOKJQHFE-INIZCTEOSA-N -1 3 363.417 2.745 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC001506395239 1059487063 /nfs/dbraw/zinc/48/70/63/1059487063.db2.gz FAJAFNARQUQZCN-MRXNPFEDSA-N -1 3 369.450 2.514 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC([C@@H](O)c2cccs2)CC1 ZINC001506395239 1059487080 /nfs/dbraw/zinc/48/70/80/1059487080.db2.gz FAJAFNARQUQZCN-MRXNPFEDSA-N -1 3 369.450 2.514 50 0 FFAAHM CCCC1=C[C@@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccc(C)cc2)N1 ZINC000000663977 219310420 /nfs/dbraw/zinc/31/04/20/219310420.db2.gz KTYXPKXBLBJAHG-CYBMUJFWSA-N -1 3 350.362 2.796 50 0 FFAAHM O=C([O-])C[C@H]1CN(Cc2cc(C3CCCCC3)no2)C[C@H]1c1cn[nH]n1 ZINC000299772359 223089613 /nfs/dbraw/zinc/08/96/13/223089613.db2.gz ZMATYNIEIBUIFO-DZGCQCFKSA-N -1 3 359.430 2.531 50 0 FFAAHM CC(C)(C)c1cc([N-]C(=O)COc2ccc(Cl)cc2C(N)=O)on1 ZINC000011115308 219914655 /nfs/dbraw/zinc/91/46/55/219914655.db2.gz FLEVNMDFPYGVST-UHFFFAOYSA-N -1 3 351.790 2.742 50 0 FFAAHM CN(C(=O)CN1CCC(C(=O)Nc2ccccc2[O-])CC1)c1ccccc1 ZINC000012893173 220039647 /nfs/dbraw/zinc/03/96/47/220039647.db2.gz PBSMHCRUCWNRTP-UHFFFAOYSA-N -1 3 367.449 2.706 50 0 FFAAHM COC(=O)c1sccc1S(=O)(=O)[N-]CC1(c2ccccc2)CCC1 ZINC000012934304 220045215 /nfs/dbraw/zinc/04/52/15/220045215.db2.gz JKXDAQZVNSDZNK-UHFFFAOYSA-N -1 3 365.476 2.935 50 0 FFAAHM Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)c([O-])c1 ZINC000014888177 220135186 /nfs/dbraw/zinc/13/51/86/220135186.db2.gz AQVWAEGYHBAOLC-GFCCVEGCSA-N -1 3 360.435 2.664 50 0 FFAAHM COc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)Nc1ccccc1[O-] ZINC000015881289 220171173 /nfs/dbraw/zinc/17/11/73/220171173.db2.gz UNBMRQPVQBJERL-UHFFFAOYSA-N -1 3 351.362 2.507 50 0 FFAAHM COc1ccc(C(=O)NCCc2cc(Cl)c3c(c2)OCCO3)c([O-])c1 ZINC000028818529 220585993 /nfs/dbraw/zinc/58/59/93/220585993.db2.gz LCCYLDRKEIYORT-UHFFFAOYSA-N -1 3 363.797 2.798 50 0 FFAAHM O=S(=O)([N-]Cc1ccnc(OCC(F)(F)F)c1)c1cccs1 ZINC000032443404 220661080 /nfs/dbraw/zinc/66/10/80/220661080.db2.gz LYPSZVGPHNBYIB-UHFFFAOYSA-N -1 3 352.359 2.563 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2C)cc1 ZINC000048332694 221009118 /nfs/dbraw/zinc/00/91/18/221009118.db2.gz LXTCMGUOPKPMHX-UHFFFAOYSA-N -1 3 367.398 2.877 50 0 FFAAHM [O-]c1ccccc1-c1nc(CSc2nnnn2-c2cccc(F)c2)no1 ZINC000058202455 221106002 /nfs/dbraw/zinc/10/60/02/221106002.db2.gz VWSJWNUUNNCEJR-UHFFFAOYSA-N -1 3 370.369 2.849 50 0 FFAAHM COc1ccc(C(=O)NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c([O-])c1 ZINC000058151848 221099453 /nfs/dbraw/zinc/09/94/53/221099453.db2.gz CXMJJCHQXCPNRP-UHFFFAOYSA-N -1 3 365.389 2.774 50 0 FFAAHM O=C(NCCNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl)c1ccc([O-])cc1 ZINC000058377500 221117010 /nfs/dbraw/zinc/11/70/10/221117010.db2.gz XHXVHXJGMVHXFX-CVEARBPZSA-N -1 3 358.825 2.695 50 0 FFAAHM CNC(=O)N1CCC[C@@H]1c1nnc(C(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000064930890 221155950 /nfs/dbraw/zinc/15/59/50/221155950.db2.gz ZVVDQZAKHPTZND-LLVKDONJSA-N -1 3 367.381 2.545 50 0 FFAAHM O=C(Cc1ccc(S(=O)(=O)[N-]C2CCCCC2)s1)N1CCCC1 ZINC000064919585 221156055 /nfs/dbraw/zinc/15/60/55/221156055.db2.gz NZJSTGCHDADHNE-UHFFFAOYSA-N -1 3 356.513 2.524 50 0 FFAAHM Cc1ccccc1-c1noc(CN2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)n1 ZINC000065403553 221213360 /nfs/dbraw/zinc/21/33/60/221213360.db2.gz MDMUGXJLYSLBJT-HNNXBMFYSA-N -1 3 365.437 2.816 50 0 FFAAHM CC(C)(C)OC(=O)N[C@H]1CCN(c2nc(-c3ccccc3)cc(=O)[n-]2)C1 ZINC000067172884 221248952 /nfs/dbraw/zinc/24/89/52/221248952.db2.gz RNKMXZABEILKJM-AWEZNQCLSA-N -1 3 356.426 2.540 50 0 FFAAHM COc1c(Cl)cc(Cl)cc1C(=O)N1CCc2c(nc(C)[n-]c2=O)C1 ZINC000071748253 221359379 /nfs/dbraw/zinc/35/93/79/221359379.db2.gz LYFUXFXEJCUXOG-UHFFFAOYSA-N -1 3 368.220 2.592 50 0 FFAAHM Nc1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000003885396 132385842 /nfs/dbraw/zinc/38/58/42/132385842.db2.gz OGXVDBQWLYKUQF-UHFFFAOYSA-N -1 3 367.858 2.560 50 0 FFAAHM O=C([O-])C1(n2cccn2)CCN(Cc2ccc([C@H]3CCCCO3)o2)CC1 ZINC000072453595 221535268 /nfs/dbraw/zinc/53/52/68/221535268.db2.gz GHHCTWZRWAJDCB-MRXNPFEDSA-N -1 3 359.426 2.794 50 0 FFAAHM CCOC(=O)[C@@]([O-])(CC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002769559 506292054 /nfs/dbraw/zinc/29/20/54/506292054.db2.gz LPQYAEUOVJKAFS-LBPRGKRZSA-N -1 3 373.249 2.891 50 0 FFAAHM O=C(NC[C@@H]1CCCO1)c1sc(=S)n2c3ccsc3c(=O)[n-]c12 ZINC000002956421 506304032 /nfs/dbraw/zinc/30/40/32/506304032.db2.gz DHKRHXYZXPHUPM-ZETCQYMHSA-N -1 3 367.477 2.542 50 0 FFAAHM COc1ccc(CC(=O)Nc2n[n-]c(-c3ccccc3OC)n2)c(OC)c1 ZINC000032913570 506311301 /nfs/dbraw/zinc/31/13/01/506311301.db2.gz XEKVPEOSYGPGDN-UHFFFAOYSA-N -1 3 368.393 2.679 50 0 FFAAHM CCc1ccc([C@H](C[N-]S(=O)(=O)c2ccccc2F)N(C)C)cc1 ZINC000033047888 506329225 /nfs/dbraw/zinc/32/92/25/506329225.db2.gz YRFOFHAZNXOWDL-KRWDZBQOSA-N -1 3 350.459 2.969 50 0 FFAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCN3C(C)=O)cc1 ZINC000004809539 506395887 /nfs/dbraw/zinc/39/58/87/506395887.db2.gz WDXAFTLARLASDV-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM COc1ccccc1OCC(=O)N1NC2=C(CCCC2)[C@@]1([O-])C(F)(F)F ZINC000006407952 506481028 /nfs/dbraw/zinc/48/10/28/506481028.db2.gz RVKZDUPQWHODRE-MEDUHNTESA-N -1 3 372.343 2.713 50 0 FFAAHM O=C([N-]c1nccs1)c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000006680449 506496860 /nfs/dbraw/zinc/49/68/60/506496860.db2.gz RWDWNUSNTVUYHK-UHFFFAOYSA-N -1 3 357.482 2.632 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccc3ccccc3c2)N1 ZINC000006849429 506512195 /nfs/dbraw/zinc/51/21/95/506512195.db2.gz IWNPSUVFIYBAKM-CQSZACIVSA-N -1 3 358.341 2.861 50 0 FFAAHM COc1cc(C)c([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)cc1OC ZINC000007050685 506529252 /nfs/dbraw/zinc/52/92/52/506529252.db2.gz IDPFYGPFWCNWMW-UHFFFAOYSA-N -1 3 364.423 2.771 50 0 FFAAHM CCOc1ccc(Cc2nc(C)c(CC(=O)N3CCCCC3)c(=O)[n-]2)cc1 ZINC000008606789 506660756 /nfs/dbraw/zinc/66/07/56/506660756.db2.gz ULYXRSSYZCRUNY-UHFFFAOYSA-N -1 3 369.465 2.623 50 0 FFAAHM Cc1ccc(Cl)cc1NC(=O)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192417 506686052 /nfs/dbraw/zinc/68/60/52/506686052.db2.gz LFXHVGOYLAMJJH-HNNXBMFYSA-N -1 3 356.813 2.944 50 0 FFAAHM O=C(Nc1ccc(F)c(Cl)c1)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192427 506686248 /nfs/dbraw/zinc/68/62/48/506686248.db2.gz HTYDKVQHMFGVOI-CQSZACIVSA-N -1 3 360.776 2.774 50 0 FFAAHM CN(Cc1ccco1)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1 ZINC000009457381 506697228 /nfs/dbraw/zinc/69/72/28/506697228.db2.gz BGECAKROONQLAB-UHFFFAOYSA-N -1 3 368.842 2.646 50 0 FFAAHM O=C(OCc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1)c1cnccn1 ZINC000009762712 506712937 /nfs/dbraw/zinc/71/29/37/506712937.db2.gz MJSADEPOMCFSQT-UHFFFAOYSA-N -1 3 364.386 2.799 50 0 FFAAHM O=C([N-]n1cnc2c(cnn2-c2ccccc2)c1=O)c1ccccc1Cl ZINC000010251160 506734833 /nfs/dbraw/zinc/73/48/33/506734833.db2.gz ABZLHCMVTHXELN-UHFFFAOYSA-N -1 3 365.780 2.620 50 0 FFAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000044892878 506897726 /nfs/dbraw/zinc/89/77/26/506897726.db2.gz LYOZKQVGXHFJAM-UHFFFAOYSA-N -1 3 351.858 2.728 50 0 FFAAHM O=S(=O)([N-]C1CCN(Cc2ccccc2)CC1)c1ccc(F)cc1F ZINC000013947050 506960240 /nfs/dbraw/zinc/96/02/40/506960240.db2.gz WGLABLXVYARWHA-UHFFFAOYSA-N -1 3 366.433 2.908 50 0 FFAAHM O=c1cc(-c2cccc(OCc3ccccc3)c2)nc(N2CCOCC2)[n-]1 ZINC000017198596 507118778 /nfs/dbraw/zinc/11/87/78/507118778.db2.gz UDGURPVYLUQALU-UHFFFAOYSA-N -1 3 363.417 2.853 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)[C@@H]3CCCc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000047191132 507279883 /nfs/dbraw/zinc/27/98/83/507279883.db2.gz QMWRINJEHXAGLB-UTKZUKDTSA-N -1 3 363.417 2.800 50 0 FFAAHM CC1(C)C[C@]1(C(=O)N1CCC[C@H](c2cc(=O)[n-]cn2)C1)c1cccs1 ZINC000023340357 507346375 /nfs/dbraw/zinc/34/63/75/507346375.db2.gz ZYTIXROYPLTAIW-ORAYPTAESA-N -1 3 357.479 2.905 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)c3cc4c(nc3Cl)CCC4)C2)cc(=O)[n-]1 ZINC000023506973 507357276 /nfs/dbraw/zinc/35/72/76/507357276.db2.gz BJBARQRBMAAKQX-ZDUSSCGKSA-N -1 3 372.856 2.635 50 0 FFAAHM O=C(NCCNC(=O)c1cccc(Cl)c1Cl)c1ccc([O-])cc1 ZINC000047552768 507357337 /nfs/dbraw/zinc/35/73/37/507357337.db2.gz ZAGGZUILTZBEHP-UHFFFAOYSA-N -1 3 353.205 2.859 50 0 FFAAHM Cc1ccccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000025043301 507461689 /nfs/dbraw/zinc/46/16/89/507461689.db2.gz NIDAOPCHDXZHGM-UHFFFAOYSA-N -1 3 350.509 2.999 50 0 FFAAHM Cc1ccc(C(=O)[C@@H](C)OC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C ZINC000025999853 507550509 /nfs/dbraw/zinc/55/05/09/507550509.db2.gz LVWLOKGAALMPAZ-CQSZACIVSA-N -1 3 356.422 2.751 50 0 FFAAHM CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CCCCCC2)c1 ZINC000027938023 507694148 /nfs/dbraw/zinc/69/41/48/507694148.db2.gz CJYOZJFWCAYEIR-UHFFFAOYSA-N -1 3 365.904 2.745 50 0 FFAAHM CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccc([O-])cc3)CC2)C1(C)C ZINC000029690250 507786706 /nfs/dbraw/zinc/78/67/06/507786706.db2.gz KBPWRLPQJOUNMY-ROUUACIJSA-N -1 3 356.466 2.915 50 0 FFAAHM O=S(=O)([N-]CCCn1cccn1)c1ccc(Cl)cc1C(F)(F)F ZINC000030518738 507809728 /nfs/dbraw/zinc/80/97/28/507809728.db2.gz BEZUGFVNBYYOHP-UHFFFAOYSA-N -1 3 367.780 2.924 50 0 FFAAHM CN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(=O)c1ccccc1[O-] ZINC000031246166 507818615 /nfs/dbraw/zinc/81/86/15/507818615.db2.gz WPULJVNYHYJTKG-UHFFFAOYSA-N -1 3 366.339 2.957 50 0 FFAAHM O=S(=O)([N-][C@@H]1CCCCC[C@@H]1CO)c1ccccc1C(F)(F)F ZINC000089813316 507869583 /nfs/dbraw/zinc/86/95/83/507869583.db2.gz KLOHERXIXPHUFI-DGCLKSJQSA-N -1 3 351.390 2.925 50 0 FFAAHM COc1ccc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c([O-])c1 ZINC000091663138 508000500 /nfs/dbraw/zinc/00/05/00/508000500.db2.gz NXMKFTDVRGSVNL-UHFFFAOYSA-N -1 3 372.465 2.656 50 0 FFAAHM COc1cc2c(cc1CN1C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C1)OCCO2 ZINC000091846347 508018278 /nfs/dbraw/zinc/01/82/78/508018278.db2.gz ANGOPSYWZWLFIO-DLBZAZTESA-N -1 3 369.417 2.767 50 0 FFAAHM CCc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)c[nH]2)o1 ZINC000075427995 508106595 /nfs/dbraw/zinc/10/65/95/508106595.db2.gz PMLWXUSURDNWKJ-UHFFFAOYSA-N -1 3 354.338 2.706 50 0 FFAAHM CCOc1ccccc1N1CCN(Cc2cc(=O)[n-]c(C(C)C)n2)CC1 ZINC000075551901 508115859 /nfs/dbraw/zinc/11/58/59/508115859.db2.gz LHKJQUIHLVTYIM-UHFFFAOYSA-N -1 3 356.470 2.614 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3c[nH]nc3C3CCCCC3)C2)cc(=O)[n-]1 ZINC000095362156 508176287 /nfs/dbraw/zinc/17/62/87/508176287.db2.gz NHDDYLPPEOGIRD-OAHLLOKOSA-N -1 3 369.469 2.869 50 0 FFAAHM Cc1cc(C)c([C@@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000095366465 508177850 /nfs/dbraw/zinc/17/78/50/508177850.db2.gz VERUITAEFFSVFY-FQEVSTJZSA-N -1 3 353.466 2.950 50 0 FFAAHM CSc1ccc([C@H](C(=O)[O-])N2CCC(C(=O)N3CCCC3)CC2)cc1 ZINC000095378732 508180364 /nfs/dbraw/zinc/18/03/64/508180364.db2.gz QNXXZNSDKKWEJC-QGZVFWFLSA-N -1 3 362.495 2.869 50 0 FFAAHM O=C([O-])[C@H](c1ccc(O)cc1)N1CCCN(Cc2ccccc2F)CC1 ZINC000095389548 508183515 /nfs/dbraw/zinc/18/35/15/508183515.db2.gz QJOPVBHINZEBDG-IBGZPJMESA-N -1 3 358.413 2.865 50 0 FFAAHM O=C([O-])[C@@H](c1cccc2c1OCC2)N1CCC(OCc2cccnc2)CC1 ZINC000095501279 508190397 /nfs/dbraw/zinc/19/03/97/508190397.db2.gz MOZRPGVKTSWSEO-LJQANCHMSA-N -1 3 368.433 2.823 50 0 FFAAHM CC(C)n1ccnc1C1CCN(C(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)CC1 ZINC000095524851 508195669 /nfs/dbraw/zinc/19/56/69/508195669.db2.gz NQZRYEPFQRNZLC-UHFFFAOYSA-N -1 3 371.485 2.865 50 0 FFAAHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCO[C@@H](c3ccccc3)C1)c2=O ZINC000076405515 508202120 /nfs/dbraw/zinc/20/21/20/508202120.db2.gz USNMYPNXRHFAGI-LJQANCHMSA-N -1 3 364.401 2.750 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)cc(=O)[n-]1 ZINC000082147451 508227029 /nfs/dbraw/zinc/22/70/29/508227029.db2.gz RMWNOCPUBCUDCD-CQSZACIVSA-N -1 3 350.422 2.590 50 0 FFAAHM Cc1[nH]c(C(=O)NCCN2CC[C@@H](c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000215360861 509246424 /nfs/dbraw/zinc/24/64/24/509246424.db2.gz TUUNVTMMFUUXAJ-MRXNPFEDSA-N -1 3 355.438 2.549 50 0 FFAAHM Cc1cc(=O)[n-]c(CCNC(=O)c2ccccc2OCc2ccccc2)n1 ZINC000223166057 509331188 /nfs/dbraw/zinc/33/11/88/509331188.db2.gz SDAMEDHVVWZSAF-UHFFFAOYSA-N -1 3 363.417 2.630 50 0 FFAAHM COc1ccnc(N2CCN(C(=O)c3ccc4c(c3[O-])CCCC4)CC2)c1 ZINC000185968250 509456012 /nfs/dbraw/zinc/45/60/12/509456012.db2.gz NJNZQBIJSBPDGO-UHFFFAOYSA-N -1 3 367.449 2.637 50 0 FFAAHM COC(=O)[C@]12CCC[C@@H]1CN(C(=O)c1c[n-]c3c(C)cccc3c1=O)C2 ZINC000166050667 509593202 /nfs/dbraw/zinc/59/32/02/509593202.db2.gz UAZSPGGPSREPHV-XCLFUZPHSA-N -1 3 354.406 2.664 50 0 FFAAHM C[C@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)c2c([O-])cccc21 ZINC000186267361 509613352 /nfs/dbraw/zinc/61/33/52/509613352.db2.gz FXLZIRROICXVSV-AWEZNQCLSA-N -1 3 374.462 2.553 50 0 FFAAHM COc1ccccc1[C@H]1CCCN1CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000244866572 509873724 /nfs/dbraw/zinc/87/37/24/509873724.db2.gz VYMFTERATXILEU-QGZVFWFLSA-N -1 3 360.454 2.545 50 0 FFAAHM O=C(c1ccc(-c2ccsc2)cc1)N1CCC(n2c([O-])coc2=O)CC1 ZINC000245060740 509877889 /nfs/dbraw/zinc/87/78/89/509877889.db2.gz PZFMQXIIMUAESM-UHFFFAOYSA-N -1 3 370.430 2.999 50 0 FFAAHM Nc1nc([C@H]2C[C@@H](NC(=O)c3ccc(Oc4ccccc4)o3)C2)cc(=O)[n-]1 ZINC000253535524 509885841 /nfs/dbraw/zinc/88/58/41/509885841.db2.gz ZRHAAZZAAKZXKU-TXEJJXNPSA-N -1 3 366.377 2.826 50 0 FFAAHM CCNS(=O)(=O)c1ccc(C(=O)N2CC[C@@H](C)c3cccc([O-])c32)cc1 ZINC000274407275 511824217 /nfs/dbraw/zinc/82/42/17/511824217.db2.gz UQRAPFAOZXRVPN-CYBMUJFWSA-N -1 3 374.462 2.844 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc([C@@H]3CCCO3)s1)CC2 ZINC000426500357 513961071 /nfs/dbraw/zinc/96/10/71/513961071.db2.gz XJIZKFVCEJQDPY-AWEZNQCLSA-N -1 3 359.451 2.645 50 0 FFAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2ccc3nccnc3c2)on1 ZINC000020068122 519001036 /nfs/dbraw/zinc/00/10/36/519001036.db2.gz BIHODVUZGBNBHX-UHFFFAOYSA-N -1 3 354.366 2.711 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@H](O)c1ccccc1 ZINC000085436496 524248882 /nfs/dbraw/zinc/24/88/82/524248882.db2.gz WOEZNKOXXYSLOR-AWEZNQCLSA-N -1 3 355.843 2.751 50 0 FFAAHM Cc1cccc(N2C[C@@H](C)N(C(=O)Cc3ccc([O-])c(F)c3)CC2=O)c1 ZINC000082108567 524565151 /nfs/dbraw/zinc/56/51/51/524565151.db2.gz VSCRHUWYVKYAMF-CQSZACIVSA-N -1 3 356.397 2.646 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N2CCC[C@H]2Cc2cccc(F)c2)c(=O)[n-]1 ZINC000079350832 526708351 /nfs/dbraw/zinc/70/83/51/526708351.db2.gz CZJXWBSAYCGUGS-KRWDZBQOSA-N -1 3 357.429 2.692 50 0 FFAAHM Cc1c(Br)c2ccccc2n1CC(=O)[N-]C1=NCCS1 ZINC000047305031 570884710 /nfs/dbraw/zinc/88/47/10/570884710.db2.gz CVBXGJSSRFOINJ-UHFFFAOYSA-N -1 3 352.257 2.931 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)C=Cc3ccccc3F)c2)NC(=O)[N-]C1=O ZINC000047299021 570885274 /nfs/dbraw/zinc/88/52/74/570885274.db2.gz UVJQMDYAYDKMBX-JBVUFVISSA-N -1 3 353.353 2.532 50 0 FFAAHM C[C@@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000045797081 570912000 /nfs/dbraw/zinc/91/20/00/570912000.db2.gz SQGVEWGOGCQTDK-MFKMUULPSA-N -1 3 365.904 2.601 50 0 FFAAHM Cc1nc(S(=O)(=O)[N-]CCCSCc2ccc(Cl)cc2)cn1C ZINC000670470541 571042928 /nfs/dbraw/zinc/04/29/28/571042928.db2.gz CESDXMFPROMFFY-UHFFFAOYSA-N -1 3 373.931 2.984 50 0 FFAAHM Cc1nc(S(=O)(=O)[N-]CC[C@H](c2ccco2)c2ccccc2)cn1C ZINC000670461024 571356900 /nfs/dbraw/zinc/35/69/00/571356900.db2.gz VBKFYKNGRMUMGA-INIZCTEOSA-N -1 3 359.451 2.822 50 0 FFAAHM COCc1noc([C@H](CC(C)C)[N-]S(=O)(=O)c2ccc(C)cc2)n1 ZINC000864097309 730821926 /nfs/dbraw/zinc/82/19/26/730821926.db2.gz OVCVLUXFAXRIBM-AWEZNQCLSA-N -1 3 353.444 2.590 50 0 FFAAHM O=C([O-])[C@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CC[C@@H]1O ZINC001529099533 1062162098 /nfs/dbraw/zinc/16/20/98/1062162098.db2.gz AOXVVKHNSVGIJY-PMACEKPBSA-N -1 3 355.434 2.576 50 0 FFAAHM COc1ccc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000000754235 219318642 /nfs/dbraw/zinc/31/86/42/219318642.db2.gz JLKKXFLIQLNLAN-CRAIPNDOSA-N -1 3 352.390 2.873 50 0 biogenic,in-vitro FFAAHM COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OCC(C)C)cc(Cl)c1[O-] ZINC000000861555 219333454 /nfs/dbraw/zinc/33/34/54/219333454.db2.gz SLYFSDAAPJHQSU-CQSZACIVSA-N -1 3 368.817 2.881 50 0 FFAAHM CCN1c2ccc([N-]S(=O)(=O)c3ccc(OC)c(C)c3)cc2CC1=O ZINC000017288976 220211071 /nfs/dbraw/zinc/21/10/71/220211071.db2.gz LANYXVRGWHORIZ-UHFFFAOYSA-N -1 3 360.435 2.713 50 0 FFAAHM CN(Cc1cc[nH]n1)Cc1cccc(-c2nc(-c3cccnc3)cc(=O)[n-]2)c1 ZINC000019217896 220241293 /nfs/dbraw/zinc/24/12/93/220241293.db2.gz ZWVYZDROZCXSOE-UHFFFAOYSA-N -1 3 372.432 2.854 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(Cc2ccccn2)CC1 ZINC000020678052 220339424 /nfs/dbraw/zinc/33/94/24/220339424.db2.gz WRWCKJGJAYXBEE-LJQANCHMSA-N -1 3 350.422 2.506 50 0 FFAAHM CCOC(=O)c1[n-]c(=O)[nH]c1CN(Cc1ccc(SC)cc1)C1CC1 ZINC000055227649 221062658 /nfs/dbraw/zinc/06/26/58/221062658.db2.gz HHSGJECBYRVULO-UHFFFAOYSA-N -1 3 361.467 2.766 50 0 FFAAHM Cc1nc(C)c(CC(=O)NCCCc2ccc(Cl)c(Cl)c2)c(=O)[n-]1 ZINC000057455992 221089448 /nfs/dbraw/zinc/08/94/48/221089448.db2.gz LHHPAOISKPRMJF-UHFFFAOYSA-N -1 3 368.264 2.985 50 0 FFAAHM Cc1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)o1 ZINC000065098578 221169101 /nfs/dbraw/zinc/16/91/01/221169101.db2.gz ZIPBVNBPNPAJRQ-UHFFFAOYSA-N -1 3 353.400 2.724 50 0 FFAAHM COc1ccc(C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)c([O-])c1 ZINC000065521113 221229936 /nfs/dbraw/zinc/22/99/36/221229936.db2.gz GADBJSZQOQHGAO-UHFFFAOYSA-N -1 3 355.369 2.964 50 0 FFAAHM Cc1nc([C@@H]2CCCN(Cc3cnn(-c4ccccc4F)c3)C2)cc(=O)[n-]1 ZINC000072126545 221411148 /nfs/dbraw/zinc/41/11/48/221411148.db2.gz HEKOBKUOLKKFNL-MRXNPFEDSA-N -1 3 367.428 2.783 50 0 FFAAHM COc1ccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)c([O-])c1 ZINC000082098160 132194656 /nfs/dbraw/zinc/19/46/56/132194656.db2.gz UNCPXYFLUZVETO-CQSZACIVSA-N -1 3 354.406 2.587 50 0 FFAAHM CC(C)n1cnc(S(=O)(=O)[N-]Cc2ccccc2N2CCCCC2)c1 ZINC000183497210 132266618 /nfs/dbraw/zinc/26/66/18/132266618.db2.gz VHTFHGAUVIQTER-UHFFFAOYSA-N -1 3 362.499 2.933 50 0 FFAAHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)N1CCSc2ccccc21 ZINC000294276501 132305866 /nfs/dbraw/zinc/30/58/66/132305866.db2.gz SQTHSLBUFZWVEO-FMKPAKJESA-N -1 3 360.479 2.843 50 0 FFAAHM Cc1nc(N2CCC(C)CC2)ncc1-c1cc(=O)[n-]c(N2CCCCC2)n1 ZINC000039383729 136119007 /nfs/dbraw/zinc/11/90/07/136119007.db2.gz UTQFXFSSESFBBP-UHFFFAOYSA-N -1 3 368.485 2.762 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@H](O)c1ccc(SC)cc1 ZINC000096103204 222024292 /nfs/dbraw/zinc/02/42/92/222024292.db2.gz USWLHKDOZWVCHH-AWEZNQCLSA-N -1 3 371.455 2.568 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(F)c(F)c2F)o1 ZINC000096117434 222032598 /nfs/dbraw/zinc/03/25/98/222032598.db2.gz BZLGNFYEKDJHQG-SNVBAGLBSA-N -1 3 372.295 2.604 50 0 FFAAHM O=S(=O)([N-]CCn1ccc(-c2ccccn2)n1)c1ccc(Cl)s1 ZINC000096098922 222021975 /nfs/dbraw/zinc/02/19/75/222021975.db2.gz LBMNZUYMBQYNCA-UHFFFAOYSA-N -1 3 368.871 2.639 50 0 FFAAHM O=C(CCc1nc2ccccc2s1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000096138117 222041256 /nfs/dbraw/zinc/04/12/56/222041256.db2.gz WWGGTTPEBLUTIL-ZDUSSCGKSA-N -1 3 368.462 2.718 50 0 FFAAHM COCCOc1cc(NC(=O)c2cc(-c3ccco3)[n-]n2)ccc1OC ZINC000025226173 263388352 /nfs/dbraw/zinc/38/83/52/263388352.db2.gz IYYQYLBWZAECAD-UHFFFAOYSA-N -1 3 357.366 2.956 50 0 FFAAHM COCCOc1cc(NC(=O)c2cc(-c3ccco3)n[n-]2)ccc1OC ZINC000025226173 263388356 /nfs/dbraw/zinc/38/83/56/263388356.db2.gz IYYQYLBWZAECAD-UHFFFAOYSA-N -1 3 357.366 2.956 50 0 FFAAHM CC[C@H](C)N(CC(=O)[O-])Cc1cc2c(cc1Br)OCCO2 ZINC000037598995 506429555 /nfs/dbraw/zinc/42/95/55/506429555.db2.gz IBZBQKCGQYRVFY-JTQLQIEISA-N -1 3 358.232 2.905 50 0 FFAAHM CCCC(=O)N[C@]([N-]c1cccc(F)c1)(C(=O)OCC)C(F)(F)F ZINC000005645509 506452686 /nfs/dbraw/zinc/45/26/86/506452686.db2.gz VYPPMLOVIKAVLX-CQSZACIVSA-N -1 3 350.312 2.976 50 0 FFAAHM O=C([N-]N1C(=O)/C(=C\c2cccc(F)c2)SC1=S)c1cccnc1 ZINC000001269243 506255913 /nfs/dbraw/zinc/25/59/13/506255913.db2.gz LLJRZEYWNMGHKC-MDWZMJQESA-N -1 3 359.407 2.767 50 0 FFAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@](C)(c2ccc(Br)cc2)S1 ZINC000001409735 506260340 /nfs/dbraw/zinc/26/03/40/506260340.db2.gz YINLLMOBVORZRK-ZDUSSCGKSA-N -1 3 356.245 2.624 50 0 FFAAHM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1cccnc1 ZINC000002698087 506288312 /nfs/dbraw/zinc/28/83/12/506288312.db2.gz FTIFDSXJJVLYDI-AWEZNQCLSA-N -1 3 367.327 2.672 50 0 FFAAHM CCCCNC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000003032694 506307225 /nfs/dbraw/zinc/30/72/25/506307225.db2.gz ILJZQHFHHKUXSO-INIZCTEOSA-N -1 3 364.467 2.914 50 0 FFAAHM CCOC([O-])=NC(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003516288 506340290 /nfs/dbraw/zinc/34/02/90/506340290.db2.gz UASHCCOEBNWLIJ-UHFFFAOYSA-N -1 3 372.406 2.892 50 0 FFAAHM CCOC(=O)[N-]C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 ZINC000003516288 506340297 /nfs/dbraw/zinc/34/02/97/506340297.db2.gz UASHCCOEBNWLIJ-UHFFFAOYSA-N -1 3 372.406 2.892 50 0 FFAAHM O=C([O-])[C@H](CC(=O)Nc1cc(Cl)cc(Cl)c1)NCc1cccnc1 ZINC000004330020 506373130 /nfs/dbraw/zinc/37/31/30/506373130.db2.gz VFYFPECKAVBZIN-AWEZNQCLSA-N -1 3 368.220 2.960 50 0 FFAAHM CC(C)C(=O)Nc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCSCC3)c2c1 ZINC000036366145 506405013 /nfs/dbraw/zinc/40/50/13/506405013.db2.gz FHBAQIVXRQTXJD-INIZCTEOSA-N -1 3 361.467 2.937 50 0 FFAAHM CCc1ccc(NC2=N[C@@H](C(=O)Nc3ccc(OC)cc3)C=C([O-])N2)cc1 ZINC000005695250 506454650 /nfs/dbraw/zinc/45/46/50/506454650.db2.gz MYRWBOBEALHJCG-QGZVFWFLSA-N -1 3 366.421 2.553 50 0 FFAAHM O=c1/c(=C\c2cc(Br)ccc2[O-])sc2nc3ccccc3n12 ZINC000005807417 506458090 /nfs/dbraw/zinc/45/80/90/506458090.db2.gz SPEIKRVTMZKPGK-RIYZIHGNSA-N -1 3 373.231 2.925 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)CCCc3cccs3)c2)NC(=O)[N-]C1=O ZINC000040111235 506468414 /nfs/dbraw/zinc/46/84/14/506468414.db2.gz WBRMDRMRCAMBAG-GOSISDBHSA-N -1 3 357.435 2.764 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc2cccnc21 ZINC000040160972 506478153 /nfs/dbraw/zinc/47/81/53/506478153.db2.gz DBIQINFGBQEETR-GFCCVEGCSA-N -1 3 373.409 2.679 50 0 FFAAHM CC[C@@H](C(=O)N1NC(C)=C[C@@]1([O-])C(F)(F)F)n1nc(C)c(Cl)c1C ZINC000006554829 506489388 /nfs/dbraw/zinc/48/93/88/506489388.db2.gz UKKMRRXBOJICHU-GXFFZTMASA-N -1 3 366.771 2.964 50 0 FFAAHM Cc1cc2c(nc(SCC(=O)Nc3ccccc3[O-])n(C)c2=O)s1 ZINC000008704575 506661942 /nfs/dbraw/zinc/66/19/42/506661942.db2.gz KJERVGHXIRSISE-UHFFFAOYSA-N -1 3 361.448 2.740 50 0 FFAAHM CSc1nccn1-c1cccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)c1 ZINC000042769282 506666500 /nfs/dbraw/zinc/66/65/00/506666500.db2.gz CXFMFJPVAHFWLL-UHFFFAOYSA-N -1 3 368.344 2.983 50 0 FFAAHM CSc1nccn1-c1cccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)c1 ZINC000042769282 506666506 /nfs/dbraw/zinc/66/65/06/506666506.db2.gz CXFMFJPVAHFWLL-UHFFFAOYSA-N -1 3 368.344 2.983 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]C[C@@H](c1ccsc1)N(C)C ZINC000008896727 506672033 /nfs/dbraw/zinc/67/20/33/506672033.db2.gz LAEBXTHTXVZZNW-ZDUSSCGKSA-N -1 3 374.915 2.991 50 0 FFAAHM Cc1c([O-])ccc2c(COC(=O)c3ccccc3NCCO)cc(=O)oc12 ZINC000009162480 506685524 /nfs/dbraw/zinc/68/55/24/506685524.db2.gz BHICTSFHBVRTTF-UHFFFAOYSA-N -1 3 369.373 2.568 50 0 FFAAHM Cn1c(COc2ccccc2)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000009426828 506695216 /nfs/dbraw/zinc/69/52/16/506695216.db2.gz LQXAXLUFVHGBGL-UHFFFAOYSA-N -1 3 370.434 2.831 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)NC[C@@H](C)N2CCc3sccc3C2)c1 ZINC000055223287 506703361 /nfs/dbraw/zinc/70/33/61/506703361.db2.gz UMOUMIKIELDOJC-GFCCVEGCSA-N -1 3 373.478 2.589 50 0 FFAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1 ZINC000009828159 506711877 /nfs/dbraw/zinc/71/18/77/506711877.db2.gz VFFSJMVOMKWCQD-UHFFFAOYSA-N -1 3 360.435 2.514 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c(C)c1 ZINC000009828173 506712877 /nfs/dbraw/zinc/71/28/77/506712877.db2.gz HLPJZUOPZCEBNM-UHFFFAOYSA-N -1 3 360.435 2.569 50 0 FFAAHM CC(C)c1cc([N-]C(=O)COC(=O)c2cnc3c(cnn3C(C)C)c2)on1 ZINC000009954865 506719209 /nfs/dbraw/zinc/71/92/09/506719209.db2.gz PUDGYUIMQJOGJT-UHFFFAOYSA-N -1 3 371.397 2.919 50 0 FFAAHM COc1cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c(Br)cc1O ZINC000067006284 506723602 /nfs/dbraw/zinc/72/36/02/506723602.db2.gz ULTIEKLPKCFNEW-SDQBBNPISA-N -1 3 374.190 2.974 50 0 FFAAHM O=S(=O)([N-]C[C@@H]1COC2(CCCC2)O1)c1cc(Cl)ccc1Cl ZINC000010220571 506732125 /nfs/dbraw/zinc/73/21/25/506732125.db2.gz VEPWAAKZPKRESB-LLVKDONJSA-N -1 3 366.266 2.957 50 0 FFAAHM O=S(=O)([N-]C[C@H]1COc2ccccc2O1)c1ccccc1C(F)(F)F ZINC000047030237 507253095 /nfs/dbraw/zinc/25/30/95/507253095.db2.gz ULIAOPDDEBFZGG-NSHDSACASA-N -1 3 373.352 2.824 50 0 FFAAHM Cc1nn(C)cc1[C@@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000069125390 507414490 /nfs/dbraw/zinc/41/44/90/507414490.db2.gz MQFQCFGFJQZMEC-MRVPVSSYSA-N -1 3 364.290 2.592 50 0 FFAAHM O=C([O-])C1(n2cccn2)CCN(Cc2ccc([C@@H]3CCCCO3)o2)CC1 ZINC000072453594 507793284 /nfs/dbraw/zinc/79/32/84/507793284.db2.gz GHHCTWZRWAJDCB-INIZCTEOSA-N -1 3 359.426 2.794 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3cccnc3)CC2)c(C)c1 ZINC000095353830 508173875 /nfs/dbraw/zinc/17/38/75/508173875.db2.gz CLFHMDFVTSRWCD-FQEVSTJZSA-N -1 3 369.465 2.732 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N(C)Cc2ccccc2-n2cccn2)cn1 ZINC000095370348 508178274 /nfs/dbraw/zinc/17/82/74/508178274.db2.gz ILADZASZKVKWSR-GOSISDBHSA-N -1 3 352.394 2.534 50 0 FFAAHM COc1cc(C)cc([C@@H](C(=O)[O-])N2CCN(C3CCCC3)CC2)c1OC ZINC000095370399 508178515 /nfs/dbraw/zinc/17/85/15/508178515.db2.gz MAOFVDCNIJWNMA-SFHVURJKSA-N -1 3 362.470 2.698 50 0 FFAAHM COc1cc(C)c([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c(C)c1 ZINC000095388679 508182770 /nfs/dbraw/zinc/18/27/70/508182770.db2.gz FDIXFDFEKZCLEG-HXUWFJFHSA-N -1 3 369.465 2.651 50 0 FFAAHM CCOc1ccc(-c2ccnc(NC[C@H]3CCN(C)C3)n2)cc1C(=O)[O-] ZINC000077506114 508325489 /nfs/dbraw/zinc/32/54/89/508325489.db2.gz APLXGCPUAPQKAK-CYBMUJFWSA-N -1 3 356.426 2.604 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)N(C)Cc2cc(Br)cn2C)on1 ZINC000151534834 509038445 /nfs/dbraw/zinc/03/84/45/509038445.db2.gz RWROEQAOFMKFAP-JTQLQIEISA-N -1 3 355.236 2.543 50 0 FFAAHM O=S(=O)([N-]CCCOC1CCCCC1)c1cnc(Cl)c(F)c1 ZINC000225658659 509382528 /nfs/dbraw/zinc/38/25/28/509382528.db2.gz CRCJOCZUBGWQNK-UHFFFAOYSA-N -1 3 350.843 2.892 50 0 FFAAHM C[C@]1(c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)NC(=O)[N-]C1=O ZINC000267262737 509416721 /nfs/dbraw/zinc/41/67/21/509416721.db2.gz QLFCGKVTROGYFT-HNAYVOBHSA-N -1 3 369.446 2.780 50 0 FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000237130759 509579896 /nfs/dbraw/zinc/57/98/96/509579896.db2.gz IHHWJDHUHXPSAB-RYUDHWBXSA-N -1 3 359.253 2.572 50 0 FFAAHM C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)[N-]c1nn(C)c(=O)s1 ZINC000170617603 509681905 /nfs/dbraw/zinc/68/19/05/509681905.db2.gz CEMWSIIKIJFGOX-LBPRGKRZSA-N -1 3 355.419 2.915 50 0 FFAAHM C[C@H](SCc1nc(C(F)(F)F)cc(=O)[n-]1)C(=O)NC1CCCCC1 ZINC000170620294 509683199 /nfs/dbraw/zinc/68/31/99/509683199.db2.gz SVIGJABVFBNOMO-VIFPVBQESA-N -1 3 363.405 2.859 50 0 FFAAHM O=C([O-])[C@@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000238004241 509795724 /nfs/dbraw/zinc/79/57/24/509795724.db2.gz VTVVTUKIAMDFHW-MJGOQNOKSA-N -1 3 370.424 2.980 50 0 FFAAHM O=C([O-])c1sccc1NC(=O)CCN1CCC(O)(c2ccccc2)CC1 ZINC000244601777 509862181 /nfs/dbraw/zinc/86/21/81/509862181.db2.gz DRPIASSFWSLVIO-UHFFFAOYSA-N -1 3 374.462 2.759 50 0 FFAAHM CCCN(Cc1cccc(OC)c1)C(=O)NCCc1nc(C)cc(=O)[n-]1 ZINC000426442542 513941781 /nfs/dbraw/zinc/94/17/81/513941781.db2.gz MBNNDPIGEZYMTF-UHFFFAOYSA-N -1 3 358.442 2.664 50 0 FFAAHM O=C([O-])Cn1ccc([C@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)n1 ZINC000426597381 513991912 /nfs/dbraw/zinc/99/19/12/513991912.db2.gz JQJBHPIWEJPMRR-AWEZNQCLSA-N -1 3 365.380 2.949 50 0 FFAAHM COc1ccc(/C=C/CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cc1 ZINC000426727300 514024211 /nfs/dbraw/zinc/02/42/11/514024211.db2.gz BLWMLUGFIVZYRZ-NKEDHYFDSA-N -1 3 355.438 2.869 50 0 FFAAHM CN(Cc1ccnc2ccccc12)C(=O)c1cc(C(C)(C)C)nc(=O)[n-]1 ZINC000216375323 523455270 /nfs/dbraw/zinc/45/52/70/523455270.db2.gz AYPHXEWRHYUWSV-UHFFFAOYSA-N -1 3 350.422 2.888 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CC[C@@H](O)c1ccccc1 ZINC000085436497 524248760 /nfs/dbraw/zinc/24/87/60/524248760.db2.gz WOEZNKOXXYSLOR-CQSZACIVSA-N -1 3 355.843 2.751 50 0 FFAAHM CCCn1cnnc1C[N-]S(=O)(=O)c1cc(Cl)c(C)cc1OCC ZINC000670449171 571352034 /nfs/dbraw/zinc/35/20/34/571352034.db2.gz FGMIGODYRGFBAQ-UHFFFAOYSA-N -1 3 372.878 2.527 50 0 FFAAHM COCCn1c(-c2ccc([O-])c(C(N)=O)c2)csc1=Nc1ccccc1 ZINC000254702655 1014488594 /nfs/dbraw/zinc/48/85/94/1014488594.db2.gz ALWXWZPQIVPVOE-UHFFFAOYSA-N -1 3 369.446 2.900 50 0 FFAAHM COC(=O)[C@]([O-])(c1ccc(NC(=O)c2cccs2)cc1)C(F)(F)F ZINC000002275876 204031109 /nfs/dbraw/zinc/03/11/09/204031109.db2.gz MVNOTWOSQGETPX-CQSZACIVSA-N -1 3 359.325 2.923 50 0 FFAAHM S=c1[n-]nc(Cn2cc(Cl)cn2)n1-c1cnn(Cc2ccccc2)c1 ZINC000002808657 204059860 /nfs/dbraw/zinc/05/98/60/204059860.db2.gz LGWHPQZAZWQJBE-UHFFFAOYSA-N -1 3 371.857 2.699 50 0 FFAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000004144322 204122874 /nfs/dbraw/zinc/12/28/74/204122874.db2.gz UOIWGJQFFMKHKC-CPUCHLNUSA-N -1 3 364.323 2.791 50 0 FFAAHM O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1ccc([O-])cc1O ZINC000003421732 204099587 /nfs/dbraw/zinc/09/95/87/204099587.db2.gz CMDWBBUODKESQD-UHFFFAOYSA-N -1 3 368.370 2.677 50 0 FFAAHM CCOc1ccccc1-n1nnc(C(=O)[N-]c2nnc(CC)s2)c1C ZINC000004938577 204178072 /nfs/dbraw/zinc/17/80/72/204178072.db2.gz HXGQGYDCVSPWBC-UHFFFAOYSA-N -1 3 358.427 2.641 50 0 FFAAHM COc1cc(Cl)c(S(=O)(=O)[N-]CCCn2ccnc2)cc1Cl ZINC000004937432 204178388 /nfs/dbraw/zinc/17/83/88/204178388.db2.gz JIDHMFBTGURACX-UHFFFAOYSA-N -1 3 364.254 2.567 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000008057683 204317119 /nfs/dbraw/zinc/31/71/19/204317119.db2.gz AZUQSIZSAOPBRS-MRXNPFEDSA-N -1 3 366.439 2.738 50 0 FFAAHM O=c1[n-]cnc2c1C(c1ccc(Br)cc1)c1c(=O)[nH]cnc1O2 ZINC000009033260 204351908 /nfs/dbraw/zinc/35/19/08/204351908.db2.gz VRKZAOIENFFCEN-UHFFFAOYSA-N -1 3 373.166 2.726 50 0 FFAAHM Cc1cccc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)n1 ZINC000009423417 204366590 /nfs/dbraw/zinc/36/65/90/204366590.db2.gz ZVIVVWHMWDNQBD-UHFFFAOYSA-N -1 3 356.378 2.857 50 0 FFAAHM Cc1cccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c1 ZINC000009528396 204373518 /nfs/dbraw/zinc/37/35/18/204373518.db2.gz SRQUAXRLOWSFEI-INIZCTEOSA-N -1 3 366.508 2.676 50 0 FFAAHM Cc1nc(C)c(CCC(=O)Nc2cccc(Br)c2)c(=O)[n-]1 ZINC000008769929 204344606 /nfs/dbraw/zinc/34/46/06/204344606.db2.gz HTNQOHRDGDTHOD-UHFFFAOYSA-N -1 3 350.216 2.721 50 0 FFAAHM O=C(CCc1ccccc1)Nc1cc(N2CCCS2(=O)=O)ccc1[O-] ZINC000047277331 205145272 /nfs/dbraw/zinc/14/52/72/205145272.db2.gz CDGDGNKSUHOPTA-UHFFFAOYSA-N -1 3 360.435 2.503 50 0 FFAAHM COC(=O)C(=C([O-])CC[C@@H]1Cc2ccccc2NC1=O)c1nc(C)cs1 ZINC000048310796 205157736 /nfs/dbraw/zinc/15/77/36/205157736.db2.gz XJXZGMVTWKOCPF-CJNGLKHVSA-N -1 3 372.446 2.868 50 0 FFAAHM COC(=O)N=c1[n-]c2c(s1)CN(C(=O)NCc1cccs1)CC2 ZINC000085470297 205170812 /nfs/dbraw/zinc/17/08/12/205170812.db2.gz YQFFGYBMZGYWJL-UHFFFAOYSA-N -1 3 352.441 2.651 50 0 FFAAHM CCOC(=O)c1[n-]c(=O)[nH]c1CN(Cc1ccsc1)Cc1ccco1 ZINC000055270606 205213523 /nfs/dbraw/zinc/21/35/23/205213523.db2.gz XDIQZDASIMDQFM-UHFFFAOYSA-N -1 3 361.423 2.737 50 0 FFAAHM O=C(NCC1(c2cccc(F)c2)CCOCC1)c1ccc2n[n-]nc2c1 ZINC000055451633 205219953 /nfs/dbraw/zinc/21/99/53/205219953.db2.gz BCKKAMXVHXXGSO-UHFFFAOYSA-N -1 3 354.385 2.575 50 0 FFAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)c2)n1 ZINC000058023799 205247429 /nfs/dbraw/zinc/24/74/29/205247429.db2.gz VZACJAQSFCBOQN-CXAGYDPISA-N -1 3 371.437 2.522 50 0 FFAAHM CCCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1cnc3ccccn13)C2 ZINC000067851111 205397115 /nfs/dbraw/zinc/39/71/15/205397115.db2.gz WRKXUHGSBDPXFQ-CQSZACIVSA-N -1 3 367.453 2.628 50 0 FFAAHM Cc1ccc(NC(=O)CCNS(=O)(=O)c2cc(C)ccc2C)c([O-])c1 ZINC000005065998 206188000 /nfs/dbraw/zinc/18/80/00/206188000.db2.gz MWVXNKYIYLREHM-UHFFFAOYSA-N -1 3 362.451 2.625 50 0 FFAAHM CCOc1cc([C@H]2NC(=N)Nc3nc4ccccc4n32)cc(Cl)c1[O-] ZINC000007127271 206205572 /nfs/dbraw/zinc/20/55/72/206205572.db2.gz GBEVRMFQBDDIGS-HNNXBMFYSA-N -1 3 357.801 2.890 50 0 FFAAHM COc1ccc2c(c1)CCC[C@H]2C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000166825123 206248215 /nfs/dbraw/zinc/24/82/15/206248215.db2.gz PLOCTJOKYUHUMM-HNNXBMFYSA-N -1 3 363.483 2.871 50 0 FFAAHM CC1(C)C[C@@]1(C(=O)N1CCC(c2cc(=O)[n-]cn2)CC1)c1ccccc1F ZINC000215062643 206344272 /nfs/dbraw/zinc/34/42/72/206344272.db2.gz WWAWSPVTXCBTPY-NRFANRHFSA-N -1 3 369.440 2.983 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)Cc3noc4ccccc34)C2)cc(=O)[n-]1 ZINC000219373147 206383713 /nfs/dbraw/zinc/38/37/13/206383713.db2.gz OAEPBRPTEAYWTO-CYBMUJFWSA-N -1 3 352.394 2.581 50 0 FFAAHM CN1CCCC[C@H]1CN1CCc2nc(-c3ccc(C(=O)[O-])cc3)[nH]c2C1 ZINC000220013656 206397864 /nfs/dbraw/zinc/39/78/64/206397864.db2.gz UDZSMWNKHPDOII-INIZCTEOSA-N -1 3 354.454 2.617 50 0 FFAAHM CC(C)c1ccc(C(=O)N2CCO[C@@H](c3ccnc(N(C)C)n3)C2)c([O-])c1 ZINC000276788303 256130453 /nfs/dbraw/zinc/13/04/53/256130453.db2.gz VIEHQTQGQMNKMT-GOSISDBHSA-N -1 3 370.453 2.585 50 0 FFAAHM Cc1cc(Cl)ccc1O[C@H](C)C(=O)[N-]N1C(=O)c2ccccc2C1=O ZINC000000627355 506224464 /nfs/dbraw/zinc/22/44/64/506224464.db2.gz YDOKASDKSLJRDH-LLVKDONJSA-N -1 3 358.781 2.743 50 0 FFAAHM COc1cc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(OC)c1O ZINC000000754305 506230126 /nfs/dbraw/zinc/23/01/26/506230126.db2.gz SDMYZAFOXJKZSN-WMLDXEAASA-N -1 3 368.389 2.579 50 0 biogenic FFAAHM COc1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000000754233 506230213 /nfs/dbraw/zinc/23/02/13/506230213.db2.gz JLKKXFLIQLNLAN-MAUKXSAKSA-N -1 3 352.390 2.873 50 0 biogenic,in-vitro FFAAHM CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000000842277 506235523 /nfs/dbraw/zinc/23/55/23/506235523.db2.gz QRUODGFJASWREN-ZDUSSCGKSA-N -1 3 354.790 2.587 50 0 FFAAHM O=C1N[C@H](c2cccs2)C(=C([O-])c2ccccc2)[C@](O)(C(F)(F)F)N1 ZINC000001006975 506243619 /nfs/dbraw/zinc/24/36/19/506243619.db2.gz VTKDNOOWBIARLM-ZOWXZIJZSA-N -1 3 370.352 2.852 50 0 FFAAHM Cc1ccc(-c2cc([N-]C(=O)Cn3cnc4ccccc4c3=O)on2)cc1 ZINC000032721416 506281947 /nfs/dbraw/zinc/28/19/47/506281947.db2.gz MAFPOBKUIKPIIB-UHFFFAOYSA-N -1 3 360.373 2.999 50 0 FFAAHM CC(C)(C)c1cc([N-]C(=O)COC(=O)c2cc(Br)c[nH]2)on1 ZINC000032747433 506289967 /nfs/dbraw/zinc/28/99/67/506289967.db2.gz BAZDUMOLJKUNEQ-UHFFFAOYSA-N -1 3 370.203 2.858 50 0 FFAAHM COc1ccc(CCNC(=O)CSc2nnc(-c3ccco3)[n-]2)cc1 ZINC000032873546 506305309 /nfs/dbraw/zinc/30/53/09/506305309.db2.gz LAPVJVLVLAXSDW-UHFFFAOYSA-N -1 3 358.423 2.524 50 0 FFAAHM COc1ccc(CCNC(=O)CSc2nc(-c3ccco3)n[n-]2)cc1 ZINC000032873546 506305314 /nfs/dbraw/zinc/30/53/14/506305314.db2.gz LAPVJVLVLAXSDW-UHFFFAOYSA-N -1 3 358.423 2.524 50 0 FFAAHM COc1ccc(CCNC(=O)CSc2n[n-]c(-c3ccco3)n2)cc1 ZINC000032873546 506305322 /nfs/dbraw/zinc/30/53/22/506305322.db2.gz LAPVJVLVLAXSDW-UHFFFAOYSA-N -1 3 358.423 2.524 50 0 FFAAHM CCC[N-]S(=O)(=O)c1ccc(/C=C/c2onc(C)c2NC(C)=O)s1 ZINC000033306431 506354865 /nfs/dbraw/zinc/35/48/65/506354865.db2.gz KEZWBJPPLBXDHC-FNORWQNLSA-N -1 3 369.468 2.862 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)c3csc4c3CCCC4)c2)NC(=O)[N-]C1=O ZINC000040111213 506467746 /nfs/dbraw/zinc/46/77/46/506467746.db2.gz PQHXAFHWCIMTIB-IBGZPJMESA-N -1 3 369.446 2.934 50 0 FFAAHM O=C(CSc1nnc(-c2cccs2)n1C1CC1)[N-]C(=O)c1ccco1 ZINC000011075330 506764414 /nfs/dbraw/zinc/76/44/14/506764414.db2.gz FVCIAIBBNDDPAB-UHFFFAOYSA-N -1 3 374.447 2.983 50 0 FFAAHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1ccccc1F)c1ccccc1F ZINC000012530086 506872063 /nfs/dbraw/zinc/87/20/63/506872063.db2.gz ATAODCKGQQYCNC-MRXNPFEDSA-N -1 3 363.389 2.766 50 0 FFAAHM COc1ccccc1-c1noc([C@H](C)[N-]S(=O)(=O)c2ccccc2)n1 ZINC000013495141 506943998 /nfs/dbraw/zinc/94/39/98/506943998.db2.gz AKBLBFVIBPNPON-LBPRGKRZSA-N -1 3 359.407 2.785 50 0 FFAAHM CCOC(=O)c1ccccc1NC(=O)c1c(O)nc2ccccc2c1[O-] ZINC000018009014 507133696 /nfs/dbraw/zinc/13/36/96/507133696.db2.gz NWJHRCZEFAQBHY-UHFFFAOYSA-N -1 3 352.346 2.663 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2ccncc2)CC1 ZINC000020718814 507231882 /nfs/dbraw/zinc/23/18/82/507231882.db2.gz OBYYWOXSOVQHMG-IBGZPJMESA-N -1 3 368.412 2.646 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(c2ccccn2)CC1 ZINC000020736875 507233182 /nfs/dbraw/zinc/23/31/82/507233182.db2.gz DKSOFQBIQSYIHF-SFHVURJKSA-N -1 3 354.385 2.650 50 0 FFAAHM O=c1cc(CN2CCN(Cc3ccccc3)CC2)c2ccc([O-])cc2o1 ZINC000021822269 507269013 /nfs/dbraw/zinc/26/90/13/507269013.db2.gz FDWKSHHETQDYNT-UHFFFAOYSA-N -1 3 350.418 2.816 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC1CCCCCCC1 ZINC000021874294 507271082 /nfs/dbraw/zinc/27/10/82/507271082.db2.gz VJLFNOBETAXDAO-UHFFFAOYSA-N -1 3 374.453 2.862 50 0 FFAAHM COc1ccc([C@H](C[N-]S(=O)(=O)c2cccs2)N2CCCC2)cc1 ZINC000023994189 507382757 /nfs/dbraw/zinc/38/27/57/507382757.db2.gz BKVMJIODCBMHSN-INIZCTEOSA-N -1 3 366.508 2.872 50 0 FFAAHM O=S(=O)([N-]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccs1 ZINC000069042239 507390003 /nfs/dbraw/zinc/39/00/03/507390003.db2.gz HKSOLYIBJSUGCR-LLVKDONJSA-N -1 3 358.435 2.831 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(N2CCCC2)nc1)c1ccc(F)cc1Cl ZINC000028040856 507703048 /nfs/dbraw/zinc/70/30/48/507703048.db2.gz RXYOCMRBSXECDJ-UHFFFAOYSA-N -1 3 369.849 2.953 50 0 FFAAHM Cc1ccccc1CC[C@@H]1CCCN(C(=O)Cc2cnc(C)[n-]c2=O)C1 ZINC000071755422 507712630 /nfs/dbraw/zinc/71/26/30/507712630.db2.gz VDSCISVDWOSKMY-KRWDZBQOSA-N -1 3 353.466 2.801 50 0 FFAAHM Cc1ncc(CC(=O)N2CCC[C@H](CCc3ccc(F)cc3)C2)c(=O)[n-]1 ZINC000071762057 507713865 /nfs/dbraw/zinc/71/38/65/507713865.db2.gz JZLUMFRXXJZLKY-MRXNPFEDSA-N -1 3 357.429 2.631 50 0 FFAAHM COc1ccc(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)c([O-])c1 ZINC000029773184 507789671 /nfs/dbraw/zinc/78/96/71/507789671.db2.gz XPMHFWIJWNBVSW-UHFFFAOYSA-N -1 3 358.413 2.888 50 0 FFAAHM O=C([O-])[C@H](c1ccc(CCCO)cc1)N1CCN(C2CCCCC2)CC1 ZINC000095376340 508179859 /nfs/dbraw/zinc/17/98/59/508179859.db2.gz AMJCYSPGYWWXAR-FQEVSTJZSA-N -1 3 360.498 2.688 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cnn(C)c2)S1 ZINC000096116619 508206777 /nfs/dbraw/zinc/20/67/77/508206777.db2.gz SXQLFCDVRPDAOA-GXTWGEPZSA-N -1 3 361.471 2.926 50 0 FFAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@@H]3c2cccnc2)CCO1 ZINC000096230805 508212012 /nfs/dbraw/zinc/21/20/12/508212012.db2.gz JWUFHKMNQOWBFV-IUODEOHRSA-N -1 3 374.466 2.889 50 0 FFAAHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc3nccn3c2)[n-]1 ZINC000191962583 509266089 /nfs/dbraw/zinc/26/60/89/509266089.db2.gz UIKGLVLKJMMMEE-UHFFFAOYSA-N -1 3 355.398 2.829 50 0 FFAAHM CCCCc1nc(NC(=O)c2ccc3nccn3c2)c(C(=O)OCC)[n-]1 ZINC000191962583 509266095 /nfs/dbraw/zinc/26/60/95/509266095.db2.gz UIKGLVLKJMMMEE-UHFFFAOYSA-N -1 3 355.398 2.829 50 0 FFAAHM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236911676 509532689 /nfs/dbraw/zinc/53/26/89/509532689.db2.gz YNKHDOXMYKFXEK-GOEBONIOSA-N -1 3 350.434 2.749 50 0 FFAAHM Cn1ccc2cc([C@@H](O)C[N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000252490204 509842568 /nfs/dbraw/zinc/84/25/68/509842568.db2.gz KLVNRXANWHVQGR-ZDUSSCGKSA-N -1 3 370.883 2.905 50 0 FFAAHM Nc1nc([C@H]2C[C@@H](NC(=O)c3cccc(-c4ccco4)c3)C2)cc(=O)[n-]1 ZINC000253535024 509886726 /nfs/dbraw/zinc/88/67/26/509886726.db2.gz AECAPWBGUHKCAH-OKILXGFUSA-N -1 3 350.378 2.700 50 0 FFAAHM Cc1nc(CNC(=O)c2cccc(-c3nccn3C(C)C)c2)cc(=O)[n-]1 ZINC000299766273 511673382 /nfs/dbraw/zinc/67/33/82/511673382.db2.gz MSFAKXGCMSMGFN-UHFFFAOYSA-N -1 3 351.410 2.865 50 0 FFAAHM Cc1ccccc1N1CC[C@@H](CNC(=O)Nc2cccc3n[n-]nc32)C1 ZINC000299783761 511679662 /nfs/dbraw/zinc/67/96/62/511679662.db2.gz WVMXHBRZNTZPHR-AWEZNQCLSA-N -1 3 350.426 2.914 50 0 FFAAHM CNC(=O)C1(NC(=O)c2c[n-]c3cc(Cl)ccc3c2=O)CCCCC1 ZINC000299786453 511681371 /nfs/dbraw/zinc/68/13/71/511681371.db2.gz UJINAAWCZFJTMS-UHFFFAOYSA-N -1 3 361.829 2.773 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H](C)Oc1cccc(Cl)c1)CC2 ZINC000426421701 513936179 /nfs/dbraw/zinc/93/61/79/513936179.db2.gz AFMBNFFGYYSWMP-NSHDSACASA-N -1 3 361.829 2.539 50 0 FFAAHM O=C(c1[n-]c(=O)nc2ccccc21)N1CCC[C@@H](OCc2ccccn2)C1 ZINC000426477869 513952794 /nfs/dbraw/zinc/95/27/94/513952794.db2.gz HBFJBBKLORZZKK-OAHLLOKOSA-N -1 3 364.405 2.552 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](O)c1ccc(-c2ccsc2)o1 ZINC000575611805 518235515 /nfs/dbraw/zinc/23/55/15/518235515.db2.gz XNOMBMVZCOCLFQ-LBPRGKRZSA-N -1 3 368.436 2.625 50 0 FFAAHM COc1ccc(NC(=O)CCCCCn2cccc2)cc1-c1nnn[n-]1 ZINC000604418540 520556249 /nfs/dbraw/zinc/55/62/49/520556249.db2.gz OTADRRMFEIZATP-UHFFFAOYSA-N -1 3 354.414 2.876 50 0 FFAAHM COc1ccc(NC(=O)CCCCCn2cccc2)cc1-c1nn[n-]n1 ZINC000604418540 520556254 /nfs/dbraw/zinc/55/62/54/520556254.db2.gz OTADRRMFEIZATP-UHFFFAOYSA-N -1 3 354.414 2.876 50 0 FFAAHM CN(Cc1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccc2n[n-]nc2c1 ZINC000020539161 523506525 /nfs/dbraw/zinc/50/65/25/523506525.db2.gz KKOXJKNYQFMCSW-UHFFFAOYSA-N -1 3 350.357 2.555 50 0 FFAAHM Cc1oc2ncn(C)c(=O)c2c1C(=O)[N-]c1cc(-c2cccc(F)c2)no1 ZINC000020942120 526793178 /nfs/dbraw/zinc/79/31/78/526793178.db2.gz PICMUWCTAIGDHY-UHFFFAOYSA-N -1 3 368.324 2.881 50 0 FFAAHM Cc1csc(S(=O)(=O)[N-][C@H](C)c2nc(-c3ccccn3)no2)c1 ZINC000670447834 571351427 /nfs/dbraw/zinc/35/14/27/571351427.db2.gz FDGUIZGGCWKJCV-SNVBAGLBSA-N -1 3 350.425 2.541 50 0 FFAAHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736810388 599959801 /nfs/dbraw/zinc/95/98/01/599959801.db2.gz OEXWLDDDODUBEW-OXQOHEQNSA-N -1 3 354.450 2.625 50 0 FFAAHM COc1cc(C(=O)[O-])cc(C(=O)NC2CCN(Cc3cccs3)CC2)c1 ZINC000824583545 999238943 /nfs/dbraw/zinc/23/89/43/999238943.db2.gz BEYRSOKCKCOCGB-UHFFFAOYSA-N -1 3 374.462 2.849 50 0 FFAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002063960 204025133 /nfs/dbraw/zinc/02/51/33/204025133.db2.gz DFHPCQKBAVUGDF-NSHDSACASA-N -1 3 359.222 2.500 50 0 FFAAHM O=C(Nc1ccccc1[O-])c1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC000003207937 204082607 /nfs/dbraw/zinc/08/26/07/204082607.db2.gz UUKNOZFDPWRFBB-UHFFFAOYSA-N -1 3 360.435 2.819 50 0 FFAAHM Cc1cc2c(nc(C)n([N-]C(=O)[C@@H](C)n3ncc(Cl)c3C)c2=O)s1 ZINC000002777744 204057596 /nfs/dbraw/zinc/05/75/96/204057596.db2.gz DXGOTXXDEZELCD-SECBINFHSA-N -1 3 365.846 2.564 50 0 FFAAHM Cc1ccccc1NC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000003907491 204115515 /nfs/dbraw/zinc/11/55/15/204115515.db2.gz KWOYGIVWQLGSKN-OAHLLOKOSA-N -1 3 352.481 2.998 50 0 FFAAHM CCOC(=O)c1sc2[n-]c(CN3C[C@H](C)C[C@H](C)C3)nc(=O)c2c1C ZINC000003366431 204094714 /nfs/dbraw/zinc/09/47/14/204094714.db2.gz DMGYGUQOTLXYQW-PHIMTYICSA-N -1 3 363.483 2.948 50 0 FFAAHM COC(=O)[C@]([O-])(CC(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000004568386 204147661 /nfs/dbraw/zinc/14/76/61/204147661.db2.gz DHQPZEZRSQIEBC-LLVKDONJSA-N -1 3 360.115 2.788 50 0 FFAAHM C[C@@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000006035453 204235297 /nfs/dbraw/zinc/23/52/97/204235297.db2.gz KKXQJZWVCICYNP-SECBINFHSA-N -1 3 373.463 2.751 50 0 FFAAHM Cc1cc(C)c([N-]S(=O)(=O)c2c(C)nc3sccn3c2=O)c(C)c1 ZINC000006859815 204277406 /nfs/dbraw/zinc/27/74/06/204277406.db2.gz NWNWAFMBTRWLSZ-UHFFFAOYSA-N -1 3 363.464 2.790 50 0 FFAAHM Cc1cc(C)c2c(=O)[n-]c(SCC(=O)N3CCc4ccccc43)nc2n1 ZINC000009442780 204368243 /nfs/dbraw/zinc/36/82/43/204368243.db2.gz XQDCKFPPMKRFCY-UHFFFAOYSA-N -1 3 366.446 2.616 50 0 FFAAHM O=C(CCNC(=O)c1ccc(Br)cc1)Nc1ccccc1[O-] ZINC000009478308 204369370 /nfs/dbraw/zinc/36/93/70/204369370.db2.gz XRTNSQQGSXHCJX-UHFFFAOYSA-N -1 3 363.211 2.913 50 0 FFAAHM O=C(Nc1cccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)c1)C1CC1 ZINC000010669254 204399129 /nfs/dbraw/zinc/39/91/29/204399129.db2.gz ZDSRDQYPJWBUIT-UHFFFAOYSA-N -1 3 366.389 2.792 50 0 FFAAHM Cc1ccc(C(=O)[C@H](C)OC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1C ZINC000025999861 204844818 /nfs/dbraw/zinc/84/48/18/204844818.db2.gz LVWLOKGAALMPAZ-AWEZNQCLSA-N -1 3 356.422 2.751 50 0 FFAAHM CCc1nnsc1C(=O)Nc1cccc(-c2nc(CC)cc(=O)[n-]2)c1 ZINC000040122441 205058887 /nfs/dbraw/zinc/05/88/87/205058887.db2.gz IRCZYIOLVQQZNN-UHFFFAOYSA-N -1 3 355.423 2.666 50 0 FFAAHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccc(C(F)(F)F)cc1 ZINC000046851233 205140405 /nfs/dbraw/zinc/14/04/05/205140405.db2.gz VIHYDPVVYVFANB-UHFFFAOYSA-N -1 3 367.327 2.963 50 0 FFAAHM O=C(Nc1nc(C2CC2)cs1)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048033236 205151554 /nfs/dbraw/zinc/15/15/54/205151554.db2.gz PSNHVYDLNNDKPH-AWEZNQCLSA-N -1 3 357.435 2.969 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000055284293 205213650 /nfs/dbraw/zinc/21/36/50/205213650.db2.gz UBXCJEQLUPGZPN-LLVKDONJSA-N -1 3 367.405 2.726 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(OC[C@H]2CCCO2)cc1)c1cccs1 ZINC000056059587 205226731 /nfs/dbraw/zinc/22/67/31/205226731.db2.gz IXOJKFKQQPHAOO-OAHLLOKOSA-N -1 3 353.465 2.784 50 0 FFAAHM O=C(NCCNC(=O)[C@H]1C[C@H]1c1ccccc1Cl)c1ccc([O-])cc1 ZINC000058377499 205272880 /nfs/dbraw/zinc/27/28/80/205272880.db2.gz XHXVHXJGMVHXFX-HOTGVXAUSA-N -1 3 358.825 2.695 50 0 FFAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@H](C)OC[C@@H]3CCCO3)c2)n1 ZINC000058023797 205246744 /nfs/dbraw/zinc/24/67/44/205246744.db2.gz VZACJAQSFCBOQN-GUYCJALGSA-N -1 3 371.437 2.522 50 0 FFAAHM CCOC(=O)c1csc(NC(=O)c2c[n-]c3c(F)cccc3c2=O)n1 ZINC000061721663 205287704 /nfs/dbraw/zinc/28/77/04/205287704.db2.gz MDYASVZPXRUSRJ-UHFFFAOYSA-N -1 3 361.354 2.553 50 0 FFAAHM CCOC(=O)c1csc(NC(=O)c2cnc3c(F)cccc3c2[O-])n1 ZINC000061721663 205287708 /nfs/dbraw/zinc/28/77/08/205287708.db2.gz MDYASVZPXRUSRJ-UHFFFAOYSA-N -1 3 361.354 2.553 50 0 FFAAHM COC(=O)c1[n-]nc2c1[C@@H](c1ccc(Oc3ccccc3)nc1)CC(=O)N2 ZINC000065526250 205356638 /nfs/dbraw/zinc/35/66/38/205356638.db2.gz SXMROGOCGJULGM-CYBMUJFWSA-N -1 3 364.361 2.858 50 0 FFAAHM COC(=O)c1n[n-]c2c1[C@@H](c1ccc(Oc3ccccc3)nc1)CC(=O)N2 ZINC000065526250 205356642 /nfs/dbraw/zinc/35/66/42/205356642.db2.gz SXMROGOCGJULGM-CYBMUJFWSA-N -1 3 364.361 2.858 50 0 FFAAHM C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccoc2)n[n-]1 ZINC000066076557 205362841 /nfs/dbraw/zinc/36/28/41/205362841.db2.gz OTHSVHPNXONOJM-SECBINFHSA-N -1 3 366.299 2.911 50 0 FFAAHM CCNC(=O)c1c2c(sc1NC(=O)c1ccc3n[n-]nc3c1)CCCC2 ZINC000067725013 205387589 /nfs/dbraw/zinc/38/75/89/205387589.db2.gz JFXJDRZWNAJYNA-UHFFFAOYSA-N -1 3 369.450 2.900 50 0 FFAAHM O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1c([O-])cccc1O ZINC000067847860 205398355 /nfs/dbraw/zinc/39/83/55/205398355.db2.gz MUWOKXQUYLBTJT-UHFFFAOYSA-N -1 3 355.394 2.524 50 0 FFAAHM O=C(Cc1ccc(Cl)cc1Cl)NCCNC(=O)c1ccc([O-])cc1 ZINC000047552696 206081058 /nfs/dbraw/zinc/08/10/58/206081058.db2.gz CFTRMQBMIPEGOY-UHFFFAOYSA-N -1 3 367.232 2.788 50 0 FFAAHM O=c1[n-]nc(SCc2ccc(Br)cc2)n1C[C@@H]1CCCO1 ZINC000007350806 206208394 /nfs/dbraw/zinc/20/83/94/206208394.db2.gz DNMSRUCLOXFDJT-LBPRGKRZSA-N -1 3 370.272 2.805 50 0 FFAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2F)no1 ZINC000016652217 206320493 /nfs/dbraw/zinc/32/04/93/206320493.db2.gz ISOGIQQUCGLKOX-UHFFFAOYSA-N -1 3 367.402 2.549 50 0 FFAAHM Cc1nc(C2CCN(Cc3sc(N(C)C)nc3Cl)CC2)cc(=O)[n-]1 ZINC000216441528 206359319 /nfs/dbraw/zinc/35/93/19/206359319.db2.gz QKPQPPWUPIMPKG-UHFFFAOYSA-N -1 3 367.906 2.634 50 0 FFAAHM O=c1[n-]c(CN2CC[C@](CO)(Cc3ccc(F)cc3)C2)nc2ccsc21 ZINC000288746161 257223345 /nfs/dbraw/zinc/22/33/45/257223345.db2.gz HULYRDCCCMBZBD-IBGZPJMESA-N -1 3 373.453 2.963 50 0 FFAAHM Cc1cc(C(F)F)n2nc(C(=O)Nc3cc(Cl)ccc3[O-])nc2n1 ZINC000000648834 506226411 /nfs/dbraw/zinc/22/64/11/506226411.db2.gz PBLFNYGGQUNIHC-UHFFFAOYSA-N -1 3 353.716 2.982 50 0 FFAAHM CCOC(=O)c1[n-]c(=O)[nH]c1CSc1nc(C)cc(-c2ccccc2)n1 ZINC000001025311 506243139 /nfs/dbraw/zinc/24/31/39/506243139.db2.gz LHMILQAVGBLDLE-UHFFFAOYSA-N -1 3 370.434 2.937 50 0 FFAAHM C[C@@H](CNC(=O)C=C1[N-]S(=O)(=O)c2ccccc2N1)c1ccccc1 ZINC000033249479 506350341 /nfs/dbraw/zinc/35/03/41/506350341.db2.gz QPTWVZFJBNCGFX-ZDUSSCGKSA-N -1 3 357.435 2.509 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)CCO3)cc1Cl ZINC000015674699 507054034 /nfs/dbraw/zinc/05/40/34/507054034.db2.gz PKZMPXQKVNKHIT-UHFFFAOYSA-N -1 3 368.842 2.978 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)COc1ccc2c(c1)CCC2 ZINC000024884106 507445582 /nfs/dbraw/zinc/44/55/82/507445582.db2.gz QKJIVRMHLCDGPI-UHFFFAOYSA-N -1 3 360.435 2.564 50 0 FFAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccsc1 ZINC000069375072 507477724 /nfs/dbraw/zinc/47/77/24/507477724.db2.gz FIXFSHVFNGQMRP-MRXNPFEDSA-N -1 3 363.464 2.817 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@]21c2ccccc2N(C(C)C)C1=O ZINC000071282053 507701108 /nfs/dbraw/zinc/70/11/08/507701108.db2.gz ZJXWVPFSEDWOIV-IBGZPJMESA-N -1 3 354.410 2.790 50 0 FFAAHM O=C([O-])[C@H]1C[C@H](C(=O)Nc2ccc(F)cc2)CN(CCC(F)(F)F)C1 ZINC000071440046 507704617 /nfs/dbraw/zinc/70/46/17/507704617.db2.gz UAQJSJABMPBSEG-QWRGUYRKSA-N -1 3 362.323 2.739 50 0 FFAAHM Cc1cc2occ(CC(=O)N3CCc4c(=O)[n-]cnc4C3)c2cc1Cl ZINC000071524628 507706023 /nfs/dbraw/zinc/70/60/23/507706023.db2.gz QJEUAFYMKUDQED-UHFFFAOYSA-N -1 3 357.797 2.605 50 0 FFAAHM COc1cccc(OC[C@H]2CCCN(C(=O)c3ccc4n[n-]nc4c3)C2)c1 ZINC000072458576 507793748 /nfs/dbraw/zinc/79/37/48/507793748.db2.gz ILPPVVFEBQQQCP-AWEZNQCLSA-N -1 3 366.421 2.898 50 0 FFAAHM CCC(C)(C)[N-]S(=O)(=O)c1cc(C(=O)OC)sc1Br ZINC000030289704 507805973 /nfs/dbraw/zinc/80/59/73/507805973.db2.gz HZKRFLUMIZQNMF-UHFFFAOYSA-N -1 3 370.290 2.764 50 0 FFAAHM Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1Cl)c1c(=O)[n-]c(=O)[nH]c1N2 ZINC000031807288 507821906 /nfs/dbraw/zinc/82/19/06/507821906.db2.gz YSNNJSAXPVZHER-SNVBAGLBSA-N -1 3 364.192 2.639 50 0 FFAAHM COCCn1ccc2cc(C(=O)Nc3n[n-]c([C@@H]4CCCO4)n3)ccc21 ZINC000095473774 508188345 /nfs/dbraw/zinc/18/83/45/508188345.db2.gz GTMNXKFDZVBURM-HNNXBMFYSA-N -1 3 355.398 2.510 50 0 FFAAHM O=c1[n-]n(C2CCCCC2)c2c1[C@H](c1ccc[nH]c1=O)SCC(=O)N2 ZINC000095474565 508188424 /nfs/dbraw/zinc/18/84/24/508188424.db2.gz NFHWLMSNECOICK-AWEZNQCLSA-N -1 3 360.439 2.794 50 0 FFAAHM CN1CCN(Cc2cc(-c3ccccn3)ccc2OCC(=O)[O-])CC1(C)C ZINC000097505355 508225843 /nfs/dbraw/zinc/22/58/43/508225843.db2.gz MHKNWDDIAPCWTC-UHFFFAOYSA-N -1 3 369.465 2.738 50 0 FFAAHM Cc1nc(CCn2ccnc2-c2cc3c(cc2Cl)OCO3)cc(=O)[n-]1 ZINC000077353996 508304332 /nfs/dbraw/zinc/30/43/32/508304332.db2.gz NTSQETVEKRYXLB-UHFFFAOYSA-N -1 3 358.785 2.567 50 0 FFAAHM CC(C)Cc1cc(C(=O)NCc2coc(-c3ccccc3)n2)[n-]c(=O)n1 ZINC000221420510 509308449 /nfs/dbraw/zinc/30/84/49/509308449.db2.gz PXOOKEVRJURNHV-UHFFFAOYSA-N -1 3 352.394 2.553 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)on1 ZINC000248424594 509312701 /nfs/dbraw/zinc/31/27/01/509312701.db2.gz NOFFUKZXGBJVCS-NWDGAFQWSA-N -1 3 371.363 2.862 50 0 FFAAHM C[C@@H]1CCN(C(=O)c2cn(CC(=O)C(C)(C)C)nn2)c2c([O-])cccc21 ZINC000186320637 509644867 /nfs/dbraw/zinc/64/48/67/509644867.db2.gz FVRWDENBLVVSGI-GFCCVEGCSA-N -1 3 356.426 2.753 50 0 FFAAHM CC[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C)noc2C)s1)[C@H]1C[C@H](O)C1 ZINC000244685619 509864089 /nfs/dbraw/zinc/86/40/89/509864089.db2.gz ITNZHRYCQFBIMT-AVGNSLFASA-N -1 3 370.496 2.848 50 0 FFAAHM O=C(Cc1ccccc1C(F)(F)F)N[C@H]1C[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000253535539 509888253 /nfs/dbraw/zinc/88/82/53/509888253.db2.gz ASJPAERQOCNXOB-TXEJJXNPSA-N -1 3 351.328 2.806 50 0 FFAAHM COc1cccc(-c2cccc(C(=O)N3C[C@H](N(C)C)C[C@H]3C(=O)[O-])c2)c1 ZINC000299786133 511681002 /nfs/dbraw/zinc/68/10/02/511681002.db2.gz VZVSRERIHANMIT-MJGOQNOKSA-N -1 3 368.433 2.592 50 0 FFAAHM COc1ccc(C2(C(=O)NCc3nc(C)cc(=O)[n-]3)CCCC2)cc1OC ZINC000426423243 513936907 /nfs/dbraw/zinc/93/69/07/513936907.db2.gz AREZVXLZPRRLKF-UHFFFAOYSA-N -1 3 371.437 2.636 50 0 FFAAHM O=C(CCCn1cccc1)Nc1n[n-]c([C@H]2COc3ccccc3O2)n1 ZINC000524735448 516807936 /nfs/dbraw/zinc/80/79/36/516807936.db2.gz CTSYSMVRUAZGMI-OAHLLOKOSA-N -1 3 353.382 2.538 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1C)CC(=O)N2 ZINC000046075476 570924364 /nfs/dbraw/zinc/92/43/64/570924364.db2.gz JZGISIDBKRFRAT-LLVKDONJSA-N -1 3 372.450 2.563 50 0 FFAAHM Cc1nc(C[N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)cs1 ZINC000670436572 571346790 /nfs/dbraw/zinc/34/67/90/571346790.db2.gz IVHVPQPWEOZDCI-UHFFFAOYSA-N -1 3 352.441 2.530 50 0 FFAAHM CN(C)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C(F)F)[nH]c3c2)cn1 ZINC000585085137 729982378 /nfs/dbraw/zinc/98/23/78/729982378.db2.gz HYMASFHMKFDOQO-UHFFFAOYSA-N -1 3 367.381 2.762 50 0 FFAAHM Cc1nccn1CC[C@H]1CCCCN1C(=O)c1nc2ccccc2c(=O)[n-]1 ZINC001506422891 1059512275 /nfs/dbraw/zinc/51/22/75/1059512275.db2.gz SOKXNKPRYZYAAR-OAHLLOKOSA-N -1 3 365.437 2.513 50 0 FFAAHM CC(C)(C)c1cc(C(=O)NC[C@@H](O)C23CC4CC(CC(C4)C2)C3)[n-]c(=O)n1 ZINC000299783648 203768880 /nfs/dbraw/zinc/76/88/80/203768880.db2.gz WTDINYBKYHRRJZ-KLXDDXCJSA-N -1 3 373.497 2.787 50 0 FFAAHM O=C1CC(N(O)c2ccccc2)=C([O-])N1c1ccc(Br)cc1 ZINC000002261217 204030567 /nfs/dbraw/zinc/03/05/67/204030567.db2.gz WFLWXZNDWUASGI-CQSZACIVSA-N -1 3 361.195 2.977 50 0 FFAAHM CCOC(=O)[C@]([N-]c1ccc(F)c(Cl)c1)(NC(C)=O)C(F)(F)F ZINC000003138007 204079478 /nfs/dbraw/zinc/07/94/78/204079478.db2.gz LJYMQRUXEFGNED-GFCCVEGCSA-N -1 3 356.703 2.849 50 0 FFAAHM CCc1ccc(C(=O)CSc2nnc3[n-]c(=O)c(C(C)(C)C)nn32)cc1 ZINC000004251421 204128488 /nfs/dbraw/zinc/12/84/88/204128488.db2.gz NPRSBFQERAYGIW-UHFFFAOYSA-N -1 3 371.466 2.648 50 0 FFAAHM CCOCCCNC(=O)[C@H](NC(=O)c1ccccc1[O-])c1ccc(C)cc1 ZINC000003626128 204109302 /nfs/dbraw/zinc/10/93/02/204109302.db2.gz XANXRIOWDQOKFY-LJQANCHMSA-N -1 3 370.449 2.715 50 0 FFAAHM Cc1ccc(SCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000004742472 204160865 /nfs/dbraw/zinc/16/08/65/204160865.db2.gz PIRNOQGRIFZPRV-UHFFFAOYSA-N -1 3 364.492 2.889 50 0 FFAAHM COc1ccc(CNC(=O)[C@H](C)Sc2nc3ccccc3c(=O)[n-]2)cc1 ZINC000006516595 204252648 /nfs/dbraw/zinc/25/26/48/204252648.db2.gz WJXUDPKCNQEHMX-LBPRGKRZSA-N -1 3 369.446 2.729 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(C)=O)cc1 ZINC000006729692 204263311 /nfs/dbraw/zinc/26/33/11/204263311.db2.gz MEZQHBAYPJDTPB-LBPRGKRZSA-N -1 3 360.435 2.794 50 0 FFAAHM CC[C@@H](C)[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000009062033 204352676 /nfs/dbraw/zinc/35/26/76/204352676.db2.gz KMRZHQCDRWDXHD-MRVPVSSYSA-N -1 3 352.250 2.543 50 0 FFAAHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2ccc(Cl)s2)N(C)C)c1 ZINC000010091479 204389805 /nfs/dbraw/zinc/38/98/05/204389805.db2.gz RTHXMUJMXCXKGO-CYBMUJFWSA-N -1 3 374.915 2.991 50 0 FFAAHM CC(C)Oc1cccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000010112628 204390772 /nfs/dbraw/zinc/39/07/72/204390772.db2.gz PCOYZHXUEFHDBG-UHFFFAOYSA-N -1 3 362.451 2.775 50 0 FFAAHM Cc1cc(NC(=O)[C@@H](C)Sc2nc3nc(C)cc(C)c3c(=O)[n-]2)no1 ZINC000014159789 204570194 /nfs/dbraw/zinc/57/01/94/204570194.db2.gz MJMQJAJMTHFAEO-SNVBAGLBSA-N -1 3 359.411 2.763 50 0 FFAAHM CCN(C(=O)c1ccc(F)c(S(=O)(=O)[N-]C2CC2)c1)c1ccccc1 ZINC000040070146 205052138 /nfs/dbraw/zinc/05/21/38/205052138.db2.gz DWXMDCPAVHXIBB-UHFFFAOYSA-N -1 3 362.426 2.933 50 0 FFAAHM O=S(=O)([N-]Cc1nc2cccnc2n1C1CC1)c1ccc(Cl)s1 ZINC000047147118 205143409 /nfs/dbraw/zinc/14/34/09/205143409.db2.gz WJTRLFWTJCKXGP-UHFFFAOYSA-N -1 3 368.871 2.960 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1 ZINC000048331777 205158558 /nfs/dbraw/zinc/15/85/58/205158558.db2.gz YDZLGSWFCWIJQC-UHFFFAOYSA-N -1 3 367.398 2.877 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCN(Cc3ccccc3)CC2)c1 ZINC000055158414 205208171 /nfs/dbraw/zinc/20/81/71/205208171.db2.gz QZPJMHYSRGLBQK-UHFFFAOYSA-N -1 3 367.449 2.699 50 0 FFAAHM Cc1cc2nc(SCC(=O)N[C@H](C)CCc3ccccc3)[n-]c(=O)c2[nH]1 ZINC000057521012 205243101 /nfs/dbraw/zinc/24/31/01/205243101.db2.gz WBBFHHITTPEBDL-GFCCVEGCSA-N -1 3 370.478 2.789 50 0 FFAAHM Cc1cc2nc(SCC(=O)Nc3ccc(F)cc3F)[n-]c(=O)c2[nH]1 ZINC000057520947 205243253 /nfs/dbraw/zinc/24/32/53/205243253.db2.gz XSSJPWQNBOSRFM-UHFFFAOYSA-N -1 3 350.350 2.569 50 0 FFAAHM CCS(=O)(=O)[N-]c1ccc(NC(=O)Cc2cccs2)cc1OC ZINC000058244020 205264848 /nfs/dbraw/zinc/26/48/48/205264848.db2.gz LZFXUQULHMCZPQ-UHFFFAOYSA-N -1 3 354.453 2.700 50 0 FFAAHM Cc1ncc(CO)c(CN2CCc3nc[nH]c3[C@H]2c2ccsc2)c1[O-] ZINC000067841900 205395933 /nfs/dbraw/zinc/39/59/33/205395933.db2.gz PPLOFSQYJUEPBC-QGZVFWFLSA-N -1 3 356.451 2.520 50 0 FFAAHM COc1ccc(F)c([C@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)c1 ZINC000095379974 205744473 /nfs/dbraw/zinc/74/44/73/205744473.db2.gz IWJOPBCIHJMKTM-LJQANCHMSA-N -1 3 373.428 2.563 50 0 FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000237127416 206086232 /nfs/dbraw/zinc/08/62/32/206086232.db2.gz JSUJFWXJSXFZID-CHWSQXEVSA-N -1 3 359.253 2.572 50 0 FFAAHM O=C([O-])[C@@H](NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000238009751 206110703 /nfs/dbraw/zinc/11/07/03/206110703.db2.gz VTVVTUKIAMDFHW-HKUYNNGSSA-N -1 3 370.424 2.980 50 0 FFAAHM CC1CCC2(CC1)NC(=O)N([N-]C(=O)c1cccc(C(F)(F)F)c1)C2=O ZINC000007407970 206209019 /nfs/dbraw/zinc/20/90/19/206209019.db2.gz MTUBHZWOORYLOQ-UHFFFAOYSA-N -1 3 369.343 2.851 50 0 FFAAHM C[C@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1cccc(N2CCCC2)c1 ZINC000179718615 206310307 /nfs/dbraw/zinc/31/03/07/206310307.db2.gz GZBGSZWETVKGII-ZDUSSCGKSA-N -1 3 365.437 2.765 50 0 FFAAHM CCc1nc2sc([C@H](c3ccc(C)cc3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855195 206394322 /nfs/dbraw/zinc/39/43/22/206394322.db2.gz VOHHSRLHRZHDEL-INIZCTEOSA-N -1 3 372.494 2.913 50 0 FFAAHM O=S(=O)([N-][C@@H]1c2ccccc2CC12CCOCC2)c1cncc(F)c1 ZINC000329768366 258146965 /nfs/dbraw/zinc/14/69/65/258146965.db2.gz DQRZALUFNYDPOQ-QGZVFWFLSA-N -1 3 362.426 2.593 50 0 FFAAHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2cnccn2)CC1 ZINC000069922193 136138165 /nfs/dbraw/zinc/13/81/65/136138165.db2.gz VRZPTDDWIHBETL-UHFFFAOYSA-N -1 3 374.444 2.735 50 0 FFAAHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-][C@H]1CCCCNC1=O ZINC000001034457 506243388 /nfs/dbraw/zinc/24/33/88/506243388.db2.gz VOQDODFQQGWFRO-LBPRGKRZSA-N -1 3 372.899 2.810 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(-c2csnn2)cc1)c1ccc(F)cc1F ZINC000001035021 506244381 /nfs/dbraw/zinc/24/43/81/506244381.db2.gz BVDHMOBORQFFJH-UHFFFAOYSA-N -1 3 367.402 2.962 50 0 FFAAHM O=C(CSc1nnnn1-c1ccccc1)Nc1cc(Cl)ccc1[O-] ZINC000001071911 506247324 /nfs/dbraw/zinc/24/73/24/506247324.db2.gz PSQIWRRHPAIPNX-UHFFFAOYSA-N -1 3 361.814 2.752 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000001212291 506256139 /nfs/dbraw/zinc/25/61/39/506256139.db2.gz JSTDOPWQUVHKDA-NSHDSACASA-N -1 3 351.122 2.922 50 0 FFAAHM CN(C)C1(C[N-]S(=O)(=O)c2ccc(Br)s2)CCCC1 ZINC000032916587 506313297 /nfs/dbraw/zinc/31/32/97/506313297.db2.gz RCHHYSLPWBATCB-UHFFFAOYSA-N -1 3 367.334 2.663 50 0 FFAAHM O=C(c1ccccc1)[C@@H](Sc1n[n-]c(-c2ccco2)n1)n1cncn1 ZINC000033711492 506362549 /nfs/dbraw/zinc/36/25/49/506362549.db2.gz JJRKWNSFJKWUGX-OAHLLOKOSA-N -1 3 352.379 2.830 50 0 FFAAHM COC(=O)[C@@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000033708368 506361925 /nfs/dbraw/zinc/36/19/25/506361925.db2.gz YKKJAWCHSRNYLV-AWEZNQCLSA-N -1 3 373.352 2.898 50 0 FFAAHM O=C(c1ccccc1)[C@@H](Sc1nnc(-c2ccco2)[n-]1)n1cncn1 ZINC000033711492 506362527 /nfs/dbraw/zinc/36/25/27/506362527.db2.gz JJRKWNSFJKWUGX-OAHLLOKOSA-N -1 3 352.379 2.830 50 0 FFAAHM O=C(c1ccccc1)[C@@H](Sc1nc(-c2ccco2)n[n-]1)n1cncn1 ZINC000033711492 506362537 /nfs/dbraw/zinc/36/25/37/506362537.db2.gz JJRKWNSFJKWUGX-OAHLLOKOSA-N -1 3 352.379 2.830 50 0 FFAAHM O=c1[n-]c(NCCc2ccccc2)nc2c1CN(Cc1ccccc1)CC2 ZINC000041600153 506535400 /nfs/dbraw/zinc/53/54/00/506535400.db2.gz UULAOQOVAGYAIR-UHFFFAOYSA-N -1 3 360.461 2.983 50 0 FFAAHM CCc1c(C)nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)[n-]c1=O ZINC000009095235 506681901 /nfs/dbraw/zinc/68/19/01/506681901.db2.gz XJIYWXYAFFLGNR-UHFFFAOYSA-N -1 3 366.387 2.986 50 0 FFAAHM COc1ccc([C@@H](C)NC(=O)CCc2c(C)[nH]c(=S)[n-]c2=O)cc1F ZINC000012905777 506914316 /nfs/dbraw/zinc/91/43/16/506914316.db2.gz DXRRPRKIOXOVPP-SECBINFHSA-N -1 3 365.430 2.699 50 0 FFAAHM COC(=O)c1sc2[n-]c(CNc3cccc(OC)c3)nc(=O)c2c1C ZINC000013135238 506930527 /nfs/dbraw/zinc/93/05/27/506930527.db2.gz VVTQYBAMCLQQHO-UHFFFAOYSA-N -1 3 359.407 2.700 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCCc2ccc(Cl)cc2Cl)c(=O)[n-]1 ZINC000014016406 506961950 /nfs/dbraw/zinc/96/19/50/506961950.db2.gz UTQZMOPYVOIDAU-UHFFFAOYSA-N -1 3 368.264 2.985 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2ccccc21)N1CCN(CCc2ccncc2)CC1 ZINC000020676765 507231744 /nfs/dbraw/zinc/23/17/44/507231744.db2.gz FVSRUVLQALXMGV-HXUWFJFHSA-N -1 3 364.449 2.549 50 0 FFAAHM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(Cc4ccncc4)CC3)c2c1 ZINC000020731807 507233323 /nfs/dbraw/zinc/23/33/23/507233323.db2.gz HACJHALEUFSXQU-HXUWFJFHSA-N -1 3 364.449 2.815 50 0 FFAAHM Cc1ccc2[nH]cc([C@@H](C(=O)[O-])N3CCN(Cc4ccncc4)CC3)c2c1 ZINC000020731811 507234086 /nfs/dbraw/zinc/23/40/86/507234086.db2.gz HACJHALEUFSXQU-FQEVSTJZSA-N -1 3 364.449 2.815 50 0 FFAAHM O=C(c1csc(-c2cccs2)n1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000023153357 507335448 /nfs/dbraw/zinc/33/54/48/507335448.db2.gz FZAXQHQKRFPXNI-LLVKDONJSA-N -1 3 372.475 2.975 50 0 FFAAHM CCN(CC(=O)NC(C)(C)C)Cc1nc2c3ccccc3oc2c(=O)[n-]1 ZINC000024794298 507438645 /nfs/dbraw/zinc/43/86/45/507438645.db2.gz PNKWCXLJLJACNV-UHFFFAOYSA-N -1 3 356.426 2.818 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc(Oc3ccccc3)o1)C2 ZINC000072167633 507768343 /nfs/dbraw/zinc/76/83/43/507768343.db2.gz PWJSIBYQHLPDHG-UHFFFAOYSA-N -1 3 351.362 2.662 50 0 FFAAHM Cc1[nH]nc2c1[C@H](c1ccc(Cl)c(Cl)c1)c1c(=O)[n-]c(=O)[nH]c1N2 ZINC000031812148 507821873 /nfs/dbraw/zinc/82/18/73/507821873.db2.gz GYIDDGODUAABMW-JTQLQIEISA-N -1 3 364.192 2.639 50 0 FFAAHM Cc1cccc(C)c1NC(=O)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000078535226 507881129 /nfs/dbraw/zinc/88/11/29/507881129.db2.gz IHGIZXKKOZCVLP-UHFFFAOYSA-N -1 3 353.422 2.999 50 0 FFAAHM COc1ccccc1OC1CN(C(=O)c2cc(=O)c3ccccc3[n-]2)C1 ZINC000095363381 508176990 /nfs/dbraw/zinc/17/69/90/508176990.db2.gz AYNQNHSALAZQIB-UHFFFAOYSA-N -1 3 350.374 2.852 50 0 FFAAHM Cc1ccc([C@H](C(=O)[O-])N2CCC(CCN3CCCC3=O)CC2)c(F)c1 ZINC000095383850 508181817 /nfs/dbraw/zinc/18/18/17/508181817.db2.gz DMXYWGPHVHYWPV-LJQANCHMSA-N -1 3 362.445 2.984 50 0 FFAAHM COCCn1c(C(=O)Nc2n[n-]c([C@@H]3CCCO3)n2)cc2ccccc21 ZINC000095478449 508188789 /nfs/dbraw/zinc/18/87/89/508188789.db2.gz MJRKZCZQTHVNTF-HNNXBMFYSA-N -1 3 355.398 2.510 50 0 FFAAHM O=C(COC1CCCCC1)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000095989770 508200866 /nfs/dbraw/zinc/20/08/66/508200866.db2.gz TVHFWYTUKAQTSI-NRFANRHFSA-N -1 3 374.481 2.571 50 0 FFAAHM O=C(NCCCc1nc2ccccc2[nH]1)c1c[n-]c2c(F)cccc2c1=O ZINC000096118479 508206800 /nfs/dbraw/zinc/20/68/00/508206800.db2.gz NFPDDWZEULXEAZ-UHFFFAOYSA-N -1 3 364.380 2.906 50 0 FFAAHM CSc1cccc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)[O-])C2)c1 ZINC000096167090 508209728 /nfs/dbraw/zinc/20/97/28/508209728.db2.gz JYRDBUVSWLPENZ-JXFKEZNVSA-N -1 3 374.506 2.554 50 0 FFAAHM O=C(C[N-]S(=O)(=O)/C=C\c1ccccc1)OC/C=C\c1ccccc1 ZINC000096499508 508214787 /nfs/dbraw/zinc/21/47/87/508214787.db2.gz GWLIVOLKSFHHBC-LAKAAKMVSA-N -1 3 357.431 2.833 50 0 FFAAHM O=S(=O)([N-][C@H]1CCCCN(Cc2ccccn2)C1)c1ccccc1F ZINC000082092388 508224951 /nfs/dbraw/zinc/22/49/51/508224951.db2.gz PNCALAMYKKOEMI-INIZCTEOSA-N -1 3 363.458 2.554 50 0 FFAAHM C[C@@H]1CN(C)CCCN1Cc1cc(-c2cccnc2)ccc1OCC(=O)[O-] ZINC000097785234 508229741 /nfs/dbraw/zinc/22/97/41/508229741.db2.gz SAKXTSZJYIGDTD-MRXNPFEDSA-N -1 3 369.465 2.738 50 0 FFAAHM CC(=O)c1ccc(N2C(=O)[C@@H]3C(c4ccc(Cl)cc4)=NOC3=C2[O-])cc1 ZINC000101314899 508241429 /nfs/dbraw/zinc/24/14/29/508241429.db2.gz HGSBEATUMLUMHN-WBVHZDCISA-N -1 3 368.776 2.835 50 0 FFAAHM COc1cc(C(=O)N[C@H](c2ccc3c(c2)CCO3)C2CC(O)C2)ccc1[O-] ZINC000220429888 509299932 /nfs/dbraw/zinc/29/99/32/509299932.db2.gz LIGDVZUOKGILTG-ALLBUHFWSA-N -1 3 369.417 2.578 50 0 FFAAHM C[C@@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)[O-])CC1 ZINC000173854847 509818962 /nfs/dbraw/zinc/81/89/62/509818962.db2.gz XNWNMTBBPYESPS-ZDUSSCGKSA-N -1 3 355.276 2.993 50 0 FFAAHM CCCCc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])s1 ZINC000244764120 509869125 /nfs/dbraw/zinc/86/91/25/509869125.db2.gz PBSDJCKHTOJAIH-OAHLLOKOSA-N -1 3 350.484 2.646 50 0 FFAAHM O=C([O-])Cc1cc(C2CCN(Cc3cc4ccccc4[nH]c3=O)CC2)n[nH]1 ZINC000253536147 509888338 /nfs/dbraw/zinc/88/83/38/509888338.db2.gz JKARCNSYYKPVKS-UHFFFAOYSA-N -1 3 366.421 2.670 50 0 FFAAHM COc1ccc(C2(CNC(=O)Cc3c(C)nc(C)[n-]c3=O)CCCC2)cc1 ZINC000253536004 509888459 /nfs/dbraw/zinc/88/84/59/509888459.db2.gz BHMVUTWVTAFFNB-UHFFFAOYSA-N -1 3 369.465 2.978 50 0 FFAAHM COc1ccc(NC(=O)[C@@H](CCSC)n2cccc2)cc1-c1nnn[n-]1 ZINC000263587624 510760287 /nfs/dbraw/zinc/76/02/87/510760287.db2.gz JECGERZINWUZPS-CQSZACIVSA-N -1 3 372.454 2.610 50 0 FFAAHM COc1ccc(NC(=O)[C@@H](CCSC)n2cccc2)cc1-c1nn[n-]n1 ZINC000263587624 510760292 /nfs/dbraw/zinc/76/02/92/510760292.db2.gz JECGERZINWUZPS-CQSZACIVSA-N -1 3 372.454 2.610 50 0 FFAAHM Cc1cc(=O)[n-]c(CCNC(=O)N(C)Cc2cccc(C(F)(F)F)c2)n1 ZINC000426420731 513936374 /nfs/dbraw/zinc/93/63/74/513936374.db2.gz NNHSPKNAUCFEQW-UHFFFAOYSA-N -1 3 368.359 2.894 50 0 FFAAHM Cc1nc(C2CCN(C(=O)Nc3ccc4c(c3)ncn4C)CC2)cc(=O)[n-]1 ZINC000426618394 513995719 /nfs/dbraw/zinc/99/57/19/513995719.db2.gz TWLYHOACTDTDGK-UHFFFAOYSA-N -1 3 366.425 2.789 50 0 FFAAHM COc1cccc([C@@H](C(=O)[O-])N2CCCN(C(=O)OC(C)(C)C)CC2)c1 ZINC000526055985 517318533 /nfs/dbraw/zinc/31/85/33/517318533.db2.gz CSQYWQLFRXIARR-INIZCTEOSA-N -1 3 364.442 2.764 50 0 FFAAHM O=C(c1cccc(NC=C2C(=O)[N-]C(=O)c3ccccc32)c1)N1CCCC1 ZINC000104464071 570860125 /nfs/dbraw/zinc/86/01/25/570860125.db2.gz XEBDRXOBESOGDU-AQTBWJFISA-N -1 3 361.401 2.646 50 0 FFAAHM Cc1cccc(NC(=O)CCNC(=O)c2cc(C(C)(C)C)nc(=O)[n-]2)c1 ZINC000670450651 571352332 /nfs/dbraw/zinc/35/23/32/571352332.db2.gz ULHQYWFYWQGFQR-UHFFFAOYSA-N -1 3 356.426 2.547 50 0 FFAAHM Cc1ncc(C(=O)N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)[n-]1 ZINC000071750498 845554361 /nfs/dbraw/zinc/55/43/61/845554361.db2.gz FVGDCEHTKYEDAC-CQSZACIVSA-N -1 3 368.220 2.599 50 0 FFAAHM Cc1c[nH]c(C(=O)N2CCC[C@H](c3cc(=O)[n-]c(-c4ccsc4)n3)C2)n1 ZINC000067725133 1019181287 /nfs/dbraw/zinc/18/12/87/1019181287.db2.gz UMLCQPUVHSPADB-LBPRGKRZSA-N -1 3 369.450 2.550 50 0 FFAAHM CSc1nnc(C(C)(C)C)c(=O)n1[N-]C(=O)c1ccccc1Cl ZINC000001432909 204007366 /nfs/dbraw/zinc/00/73/66/204007366.db2.gz SOHMMQLUNXQHOK-UHFFFAOYSA-N -1 3 352.847 2.695 50 0 FFAAHM CCOC(=O)[C@]([N-]c1ccccc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103576 204078285 /nfs/dbraw/zinc/07/82/85/204078285.db2.gz SGQYMLVITVAZFX-HNNXBMFYSA-N -1 3 356.300 2.943 50 0 FFAAHM Cc1ccnn1[C@@H](C)c1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1 ZINC000002809283 204060135 /nfs/dbraw/zinc/06/01/35/204060135.db2.gz OWDJRTPXBUNMBN-AWEZNQCLSA-N -1 3 365.466 2.915 50 0 FFAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 ZINC000003907482 204115654 /nfs/dbraw/zinc/11/56/54/204115654.db2.gz GNLLMKKWWWDYBW-OAHLLOKOSA-N -1 3 358.529 2.890 50 0 FFAAHM O=C(OCc1cc(=O)n2c3ccccc3sc2n1)c1ccc([O-])cc1 ZINC000003359364 204094913 /nfs/dbraw/zinc/09/49/13/204094913.db2.gz ZOEMBVXNENQPSY-UHFFFAOYSA-N -1 3 352.371 2.972 50 0 aggregator FFAAHM CCc1nnc([N-]C(=O)c2cc(Cl)c(NC(C)=O)cc2OC)s1 ZINC000004815786 204165759 /nfs/dbraw/zinc/16/57/59/204165759.db2.gz HPKWSRSQWKKJHP-UHFFFAOYSA-N -1 3 354.819 2.973 50 0 FFAAHM Cc1cc(OCc2nc(SCC(=O)NC(C)C)n[n-]2)ccc1Cl ZINC000006062111 204235943 /nfs/dbraw/zinc/23/59/43/204235943.db2.gz UNBUHKVOUNSYFL-UHFFFAOYSA-N -1 3 354.863 2.962 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]c2ccc(C)cc2F)ccc1NC(C)=O ZINC000007428160 204298228 /nfs/dbraw/zinc/29/82/28/204298228.db2.gz MEOQQJRMUJSIHG-UHFFFAOYSA-N -1 3 352.387 2.902 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1F)c1ccc2c(c1)OCCO2 ZINC000008225303 204322847 /nfs/dbraw/zinc/32/28/47/204322847.db2.gz XOKCKKKRWCQAKU-SECBINFHSA-N -1 3 373.352 2.915 50 0 FFAAHM CCOc1ccc(CC[N-]S(=O)(=O)c2c(C)noc2C)cc1OCC ZINC000008981925 204349967 /nfs/dbraw/zinc/34/99/67/204349967.db2.gz JJPZNSTYHMSAPY-UHFFFAOYSA-N -1 3 368.455 2.610 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1cccc2cccnc21 ZINC000021552501 204754040 /nfs/dbraw/zinc/75/40/40/204754040.db2.gz DBIQINFGBQEETR-LBPRGKRZSA-N -1 3 373.409 2.679 50 0 FFAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@](O)(c1ccco1)C1CC1 ZINC000075154961 205034291 /nfs/dbraw/zinc/03/42/91/205034291.db2.gz QKEMNKZMDFIZNU-MRXNPFEDSA-N -1 3 355.843 2.650 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)N2CCC(NC(=O)Nc3ccccc3)CC2)on1 ZINC000055032099 205204761 /nfs/dbraw/zinc/20/47/61/205204761.db2.gz JXIBMHFBTQTDHU-AWEZNQCLSA-N -1 3 371.441 2.596 50 0 FFAAHM O=C1[N-]C(=O)C(=CNc2ccc(OCC(F)(F)F)nc2)c2ccccc21 ZINC000055006988 205205655 /nfs/dbraw/zinc/20/56/55/205205655.db2.gz XQPQGCLGWBDEMK-JYRVWZFOSA-N -1 3 363.295 2.746 50 0 FFAAHM Cc1c(S(=O)(=O)[N-]c2ccccc2F)cc(C(=O)N2CCCC2)n1C ZINC000064922079 205309755 /nfs/dbraw/zinc/30/97/55/205309755.db2.gz PQBMMQMTQZSPGS-UHFFFAOYSA-N -1 3 365.430 2.509 50 0 FFAAHM Cn1c(=O)sc2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)ccc21 ZINC000064946744 205309804 /nfs/dbraw/zinc/30/98/04/205309804.db2.gz BITKQFPHUYUHDF-UHFFFAOYSA-N -1 3 356.375 2.679 50 0 FFAAHM CCCN1CCc2nc(SCC(=O)Nc3ccccc3C)[n-]c(=O)c2C1 ZINC000067291751 205369763 /nfs/dbraw/zinc/36/97/63/205369763.db2.gz ZRGRTLZHSSIAGK-UHFFFAOYSA-N -1 3 372.494 2.990 50 0 FFAAHM O=c1cc(C2CCN(Cc3nccs3)CC2)nc(-c2ccccn2)[n-]1 ZINC000067743214 205388416 /nfs/dbraw/zinc/38/84/16/205388416.db2.gz MITDFANWNQOIMZ-UHFFFAOYSA-N -1 3 353.451 2.668 50 0 FFAAHM O=C(NCc1cccnc1Oc1ccc(F)c(F)c1)c1cc(=O)c([O-])co1 ZINC000067842513 205396682 /nfs/dbraw/zinc/39/66/82/205396682.db2.gz VVNPNYICLMNZOT-UHFFFAOYSA-N -1 3 374.299 2.741 50 0 FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl ZINC000237130004 206088035 /nfs/dbraw/zinc/08/80/35/206088035.db2.gz IHHWJDHUHXPSAB-NEPJUHHUSA-N -1 3 359.253 2.572 50 0 FFAAHM COC(=O)c1ccc([C@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1 ZINC000001814849 206153387 /nfs/dbraw/zinc/15/33/87/206153387.db2.gz LGZGOHXTBJSWFV-DLBZAZTESA-N -1 3 350.374 2.643 50 0 biogenic FFAAHM O=C([O-])[C@H](CC(=O)Nc1cc(Cl)ccc1Cl)NCc1ccccn1 ZINC000004187986 206170755 /nfs/dbraw/zinc/17/07/55/206170755.db2.gz QYBUACMPIZEXLI-AWEZNQCLSA-N -1 3 368.220 2.960 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(c2)CCC(=O)N4CC3)cc1C ZINC000005153428 206189865 /nfs/dbraw/zinc/18/98/65/206189865.db2.gz RNWXGCPVWANUTE-UHFFFAOYSA-N -1 3 372.446 2.640 50 0 FFAAHM O=S(=O)([N-]CC1CC1)c1cc(Br)ccc1Br ZINC000012924367 206298092 /nfs/dbraw/zinc/29/80/92/206298092.db2.gz IZTZPXFKPOYDFZ-UHFFFAOYSA-N -1 3 369.078 2.900 50 0 FFAAHM C[C@@H](NC(=O)c1cnc2c(cnn2C)c1[O-])c1cccc(N2CCCC2)c1 ZINC000179718628 206311638 /nfs/dbraw/zinc/31/16/38/206311638.db2.gz GZBGSZWETVKGII-CYBMUJFWSA-N -1 3 365.437 2.765 50 0 FFAAHM Cc1nc(CCNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc(=O)[n-]1 ZINC000223549513 206442968 /nfs/dbraw/zinc/44/29/68/206442968.db2.gz CUUYVQKVAVBWPC-UHFFFAOYSA-N -1 3 350.422 2.823 50 0 FFAAHM CCN1C[C@H](CN(C)C(=O)c2ccc(OC)cc2[O-])Oc2ccccc21 ZINC000058442835 136131858 /nfs/dbraw/zinc/13/18/58/136131858.db2.gz GUWFKCRAYNEPHJ-HNNXBMFYSA-N -1 3 356.422 2.760 50 0 FFAAHM COc1ccc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc1OC ZINC000000754232 506230178 /nfs/dbraw/zinc/23/01/78/506230178.db2.gz JLKKXFLIQLNLAN-YJBOKZPZSA-N -1 3 352.390 2.873 50 0 biogenic,in-vitro FFAAHM Cc1c2cc(Cl)ccc2sc1S(=O)(=O)[N-][C@@H]1CCCCNC1=O ZINC000001034458 506243883 /nfs/dbraw/zinc/24/38/83/506243883.db2.gz VOQDODFQQGWFRO-GFCCVEGCSA-N -1 3 372.899 2.810 50 0 FFAAHM O=c1cc(-c2ccccc2)nc(N2CCN(c3ccccc3F)CC2)[n-]1 ZINC000009668953 506706633 /nfs/dbraw/zinc/70/66/33/506706633.db2.gz GBFHOGIVWYLLNW-UHFFFAOYSA-N -1 3 350.397 2.903 50 0 FFAAHM CCn1c(=O)[n-]c(=O)c2c(C(F)(F)F)cc(-c3ccccc3F)nc21 ZINC000012776981 506899443 /nfs/dbraw/zinc/89/94/43/506899443.db2.gz RNGVHJFFXINVDJ-UHFFFAOYSA-N -1 3 353.275 2.930 50 0 FFAAHM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCC1(N(C)C)CCCCCC1 ZINC000013030446 506924841 /nfs/dbraw/zinc/92/48/41/506924841.db2.gz NSORLUVUNPRGND-UHFFFAOYSA-N -1 3 368.499 2.626 50 0 FFAAHM CNC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000013850565 506957578 /nfs/dbraw/zinc/95/75/78/506957578.db2.gz QDSBIHKHAFDHRD-UHFFFAOYSA-N -1 3 358.463 2.655 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccc(Cl)cc2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000018173511 507142274 /nfs/dbraw/zinc/14/22/74/507142274.db2.gz WCNZWIDVPLBKFT-RDJZCZTQSA-N -1 3 367.792 2.663 50 0 FFAAHM CCC[C@@H]1CCc2c(sc([N-]C(=O)C(=O)OC)c2C(=O)OCC)C1 ZINC000022327323 507288925 /nfs/dbraw/zinc/28/89/25/507288925.db2.gz MYGCBPBJHIVCHB-SNVBAGLBSA-N -1 3 353.440 2.941 50 0 FFAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cncn2-c2ccccc2)ccc1F ZINC000025515960 507507646 /nfs/dbraw/zinc/50/76/46/507507646.db2.gz UZAYSPSGKZCSFZ-UHFFFAOYSA-N -1 3 374.397 2.635 50 0 FFAAHM NC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1 ZINC000026541664 507595226 /nfs/dbraw/zinc/59/52/26/507595226.db2.gz FMKFRDMCTAGBNS-UHFFFAOYSA-N -1 3 350.827 2.728 50 0 FFAAHM Cc1nc2ccc([O-])cc2c(=O)n1CC(=O)Nc1nc(C(C)(C)C)cs1 ZINC000072401111 507782908 /nfs/dbraw/zinc/78/29/08/507782908.db2.gz AJYJTMNPVNUMNV-UHFFFAOYSA-N -1 3 372.450 2.803 50 0 FFAAHM O=C([O-])[C@H]1c2nc[nH]c2CCN1Cc1nc(-c2ccc(F)cc2)cs1 ZINC000072426279 507788351 /nfs/dbraw/zinc/78/83/51/507788351.db2.gz FXOAFIRWMVUKEI-MRXNPFEDSA-N -1 3 358.398 2.856 50 0 FFAAHM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(C/C=C/c1ccccc1)CC2 ZINC000072430271 507789780 /nfs/dbraw/zinc/78/97/80/507789780.db2.gz ZWSLVLNIYHDTJO-ZLHKHBAESA-N -1 3 368.477 2.878 50 0 FFAAHM Cc1oc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C(=O)NCC1CCC1 ZINC000078646141 507892750 /nfs/dbraw/zinc/89/27/50/507892750.db2.gz YPOPFGKXYLWITM-UHFFFAOYSA-N -1 3 353.378 2.523 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000078807129 507909344 /nfs/dbraw/zinc/90/93/44/507909344.db2.gz CCZXEZBWLPFGQE-HOSILWTGSA-N -1 3 368.474 2.672 50 0 FFAAHM CCOc1ccc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)cc1 ZINC000091270242 507977939 /nfs/dbraw/zinc/97/79/39/507977939.db2.gz PAEMSDBGRFJIHS-MRXNPFEDSA-N -1 3 374.481 2.763 50 0 FFAAHM O=C(Cc1ccc([O-])c(F)c1)N1C[C@H]2CC[C@@H]1CN(Cc1ccccn1)C2 ZINC000092003540 508030950 /nfs/dbraw/zinc/03/09/50/508030950.db2.gz FNLPAQHUWOSANR-FUHWJXTLSA-N -1 3 369.440 2.592 50 0 FFAAHM CCOc1cccc([C@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c1 ZINC000095368116 508177514 /nfs/dbraw/zinc/17/75/14/508177514.db2.gz IDLAQFJHNXWVMN-HXUWFJFHSA-N -1 3 369.465 2.814 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)cc1F ZINC000095371082 508178366 /nfs/dbraw/zinc/17/83/66/508178366.db2.gz HSUBGVGEKAYBPD-IBGZPJMESA-N -1 3 373.428 2.563 50 0 FFAAHM CCOc1ccccc1[C@@H](C(=O)[O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000095372837 508179239 /nfs/dbraw/zinc/17/92/39/508179239.db2.gz NZQZVWVHRXSQLV-SFHVURJKSA-N -1 3 360.454 2.545 50 0 FFAAHM C[C@@H](Cc1ccccc1)OC(=O)c1ccc([C@@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000095452840 508185823 /nfs/dbraw/zinc/18/58/23/508185823.db2.gz BMWGSBFHBFFCFD-RNODOKPDSA-N -1 3 352.390 2.529 50 0 FFAAHM COc1ccc(Cc2nc([N-]C(=O)c3csc(NC4CC4)n3)n[nH]2)cc1 ZINC000095480055 508188952 /nfs/dbraw/zinc/18/89/52/508188952.db2.gz HSZUJKMJQDVQRL-UHFFFAOYSA-N -1 3 370.438 2.687 50 0 FFAAHM COc1ccc(NC(=O)c2cn[n-]c2C(=O)Nc2ccccc2OC)cc1 ZINC000095945528 508198228 /nfs/dbraw/zinc/19/82/28/508198228.db2.gz MQIGFVYGNKRDNG-UHFFFAOYSA-N -1 3 366.377 2.932 50 0 FFAAHM COc1ccc(NC(=O)c2c[n-]nc2C(=O)Nc2ccccc2OC)cc1 ZINC000095945528 508198231 /nfs/dbraw/zinc/19/82/31/508198231.db2.gz MQIGFVYGNKRDNG-UHFFFAOYSA-N -1 3 366.377 2.932 50 0 FFAAHM O=C([O-])COc1ccc(-c2ccccn2)cc1CN1CCC[C@H](O)CC1 ZINC000097756312 508229756 /nfs/dbraw/zinc/22/97/56/508229756.db2.gz BWIDFXWCBOMSJF-KRWDZBQOSA-N -1 3 356.422 2.559 50 0 FFAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCC(OCc2cccnc2)CC1 ZINC000077379568 508307512 /nfs/dbraw/zinc/30/75/12/508307512.db2.gz APTFMEWIRLAGAD-UHFFFAOYSA-N -1 3 363.417 2.745 50 0 FFAAHM Cc1ccccc1SC1CCN(C(=O)Cc2cnc(C)[n-]c2=O)CC1 ZINC000077469977 508319769 /nfs/dbraw/zinc/31/97/69/508319769.db2.gz ROQFFTUAYVQNJD-UHFFFAOYSA-N -1 3 357.479 2.713 50 0 FFAAHM Cc1nccn1C[C@@H]1CCCN(C(=O)c2c[n-]c3c(F)cccc3c2=O)C1 ZINC000077487893 508322970 /nfs/dbraw/zinc/32/29/70/508322970.db2.gz ZADWLNDQLPBQBX-AWEZNQCLSA-N -1 3 368.412 2.725 50 0 FFAAHM CCOc1cc(CN2CCN(CC)C(C)(C)C2)ccc1O[C@H](C)C(=O)[O-] ZINC000225342779 509369500 /nfs/dbraw/zinc/36/95/00/509369500.db2.gz WJCBKAVGUWINSJ-OAHLLOKOSA-N -1 3 364.486 2.853 50 0 FFAAHM COc1ccc(C(=O)NCc2ccc(-c3nnn[n-]3)cc2)c(OC(C)C)c1 ZINC000241897203 509845226 /nfs/dbraw/zinc/84/52/26/509845226.db2.gz TWNBQCJRRURPCE-UHFFFAOYSA-N -1 3 367.409 2.593 50 0 FFAAHM COc1ccc(C(=O)NCc2ccc(-c3nn[n-]n3)cc2)c(OC(C)C)c1 ZINC000241897203 509845232 /nfs/dbraw/zinc/84/52/32/509845232.db2.gz TWNBQCJRRURPCE-UHFFFAOYSA-N -1 3 367.409 2.593 50 0 FFAAHM O=C1CC[C@H](CC[N-]S(=O)(=O)c2ccccc2F)CCN1CC1CC1 ZINC000257174365 509944877 /nfs/dbraw/zinc/94/48/77/509944877.db2.gz FZFGDISDCGGXKT-CQSZACIVSA-N -1 3 368.474 2.533 50 0 FFAAHM Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000082147618 525443353 /nfs/dbraw/zinc/44/33/53/525443353.db2.gz SCPQXRZAPJXACB-HNNXBMFYSA-N -1 3 364.449 2.817 50 0 FFAAHM O=S(=O)([N-]CC[C@@H](O)c1ccoc1)c1ccc(Br)s1 ZINC000090613155 527218840 /nfs/dbraw/zinc/21/88/40/527218840.db2.gz NABSZGFQKZKRLY-SECBINFHSA-N -1 3 366.258 2.506 50 0 FFAAHM CO[C@@H](C)CCC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000585138362 845949900 /nfs/dbraw/zinc/94/99/00/845949900.db2.gz JWNGHCVGJZZCCB-JTQLQIEISA-N -1 3 371.846 2.650 50 0 FFAAHM CO[C@@H](C)CCC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000585138362 845949913 /nfs/dbraw/zinc/94/99/13/845949913.db2.gz JWNGHCVGJZZCCB-JTQLQIEISA-N -1 3 371.846 2.650 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1cc(C(C)(C)C)n[nH]1)C2 ZINC000067805288 979109496 /nfs/dbraw/zinc/10/94/96/979109496.db2.gz GDKPJDRSIGFKHW-ZDUSSCGKSA-N -1 3 359.474 2.611 50 0 FFAAHM O=C([O-])[C@H]1CN(Cc2ccc(OCCc3ccccc3)cc2)CC[C@H]1O ZINC001529153335 1062191891 /nfs/dbraw/zinc/19/18/91/1062191891.db2.gz AOXVVKHNSVGIJY-VQTJNVASSA-N -1 3 355.434 2.576 50 0 FFAAHM Cc1cc(C(C)(C)C)ccc1OC(=O)Cn1[n-]c(=O)c2ccccc2c1=O ZINC000003402425 204097448 /nfs/dbraw/zinc/09/74/48/204097448.db2.gz ONMMWPYGWGEQBS-UHFFFAOYSA-N -1 3 366.417 2.901 50 0 FFAAHM CCOC([O-])=NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000005890306 204229445 /nfs/dbraw/zinc/22/94/45/204229445.db2.gz SEGFOLKBOJHQHQ-UHFFFAOYSA-N -1 3 368.345 2.924 50 0 FFAAHM CCOC(=O)[N-]C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000005890306 204229446 /nfs/dbraw/zinc/22/94/46/204229446.db2.gz SEGFOLKBOJHQHQ-UHFFFAOYSA-N -1 3 368.345 2.924 50 0 FFAAHM Cc1ccc(NC(=O)CNC(=O)c2ccc(Br)cc2)c([O-])c1 ZINC000006542301 204251917 /nfs/dbraw/zinc/25/19/17/204251917.db2.gz GOQVBMOWQUKEII-UHFFFAOYSA-N -1 3 363.211 2.832 50 0 FFAAHM C[C@@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007277112 204293880 /nfs/dbraw/zinc/29/38/80/204293880.db2.gz LVNLKUAOUTYFFX-SNVBAGLBSA-N -1 3 369.402 2.771 50 0 FFAAHM O=c1[n-]c(SCc2ccc(Cl)cc2Cl)nc2c1cnn2CCO ZINC000007418548 204296184 /nfs/dbraw/zinc/29/61/84/204296184.db2.gz WSVYCPHZILXNQO-UHFFFAOYSA-N -1 3 371.249 2.711 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]C2CCCC2)c(OC)cc1Br ZINC000008714913 204339896 /nfs/dbraw/zinc/33/98/96/204339896.db2.gz QRIFKXQSCHUGJV-UHFFFAOYSA-N -1 3 364.261 2.687 50 0 FFAAHM CCc1ccc(S(=O)(=O)N2NC(C)=C[C@]2([O-])C(F)(F)Cl)s1 ZINC000008782647 204345945 /nfs/dbraw/zinc/34/59/45/204345945.db2.gz MDNTUROKSIAPAW-JTQLQIEISA-N -1 3 358.819 2.601 50 0 FFAAHM O=C(C[N-]S(=O)(=O)Cc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 ZINC000036106247 204361018 /nfs/dbraw/zinc/36/10/18/204361018.db2.gz KZKGCLABRNUUSK-UHFFFAOYSA-N -1 3 374.796 2.676 50 0 FFAAHM C[N-]S(=O)(=O)c1ccc(CNC(=O)Nc2ccc(Cl)cc2)s1 ZINC000010463601 204396736 /nfs/dbraw/zinc/39/67/36/204396736.db2.gz DHYZCVLLTLRXAL-UHFFFAOYSA-N -1 3 359.860 2.631 50 0 FFAAHM COc1ccc(-c2csc([N-]C(=O)c3nc4ncccn4n3)n2)cc1 ZINC000036618829 205018256 /nfs/dbraw/zinc/01/82/56/205018256.db2.gz NSVRQRQJQCMASR-UHFFFAOYSA-N -1 3 352.379 2.509 50 0 FFAAHM O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1nnc(C(F)(F)F)[n-]1 ZINC000036744252 205020937 /nfs/dbraw/zinc/02/09/37/205020937.db2.gz SEFWWKGEJYHQFL-UHFFFAOYSA-N -1 3 370.266 2.584 50 0 FFAAHM O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1nc(C(F)(F)F)n[n-]1 ZINC000036744252 205020942 /nfs/dbraw/zinc/02/09/42/205020942.db2.gz SEFWWKGEJYHQFL-UHFFFAOYSA-N -1 3 370.266 2.584 50 0 FFAAHM CCOC(=O)N=c1[n-]c2c(s1)CN(C(=O)c1cc(C3CC3)on1)CC2 ZINC000075157908 205035523 /nfs/dbraw/zinc/03/55/23/205035523.db2.gz FVTWZYRYLFNEEJ-UHFFFAOYSA-N -1 3 362.411 2.775 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)[C@@H]3CCCc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000047191133 205142689 /nfs/dbraw/zinc/14/26/89/205142689.db2.gz QMWRINJEHXAGLB-DYESRHJHSA-N -1 3 363.417 2.800 50 0 FFAAHM COc1ccccc1-c1nc(NC(=O)c2ccc(Cn3cccn3)cc2)n[n-]1 ZINC000052778905 205187328 /nfs/dbraw/zinc/18/73/28/205187328.db2.gz HDTKZZJNIWAHPT-UHFFFAOYSA-N -1 3 374.404 2.977 50 0 FFAAHM Cc1ccc(-c2nc([N-]C(=O)c3csc(-c4cnn(C)c4)n3)n[nH]2)s1 ZINC000058244697 205265859 /nfs/dbraw/zinc/26/58/59/205265859.db2.gz WRQLNEGFPBMZJS-UHFFFAOYSA-N -1 3 371.451 2.951 50 0 FFAAHM CCOc1ccc2ccccc2c1[C@H](C(=O)[O-])N1CCN(CCOC)CC1 ZINC000095376454 205742595 /nfs/dbraw/zinc/74/25/95/205742595.db2.gz IFKUVVVLIKFMOR-HXUWFJFHSA-N -1 3 372.465 2.628 50 0 FFAAHM CC[C@@H](C)N(CC(=O)[O-])Cc1cc2c(cc1Br)OCCO2 ZINC000037598994 206073222 /nfs/dbraw/zinc/07/32/22/206073222.db2.gz IBZBQKCGQYRVFY-SNVBAGLBSA-N -1 3 358.232 2.905 50 0 FFAAHM Cc1noc(C)c1CCC(=O)Nc1cccc(-c2nc(C)cc(=O)[n-]2)c1 ZINC000047317558 206080554 /nfs/dbraw/zinc/08/05/54/206080554.db2.gz TWTWQRJSDYAKPH-UHFFFAOYSA-N -1 3 352.394 2.921 50 0 FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl ZINC000237130564 206088348 /nfs/dbraw/zinc/08/83/48/206088348.db2.gz JSUJFWXJSXFZID-STQMWFEESA-N -1 3 359.253 2.572 50 0 FFAAHM O=C([O-])[C@H](NC(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)c1ccccc1 ZINC000238023308 206114077 /nfs/dbraw/zinc/11/40/77/206114077.db2.gz VTVVTUKIAMDFHW-IEBWSBKVSA-N -1 3 370.424 2.980 50 0 FFAAHM COc1ccc(CC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1OC ZINC000003367273 206161185 /nfs/dbraw/zinc/16/11/85/206161185.db2.gz HAYRCSLICOHPRS-UHFFFAOYSA-N -1 3 357.378 2.503 50 0 FFAAHM COc1ccc(CC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000004265589 206172032 /nfs/dbraw/zinc/17/20/32/206172032.db2.gz FBMBSEUDUIVHTF-CJNGLKHVSA-N -1 3 356.344 2.877 50 0 FFAAHM Cc1cccn2cc(CC[N-]S(=O)(=O)c3ccc(Cl)s3)nc12 ZINC000004248516 206172603 /nfs/dbraw/zinc/17/26/03/206172603.db2.gz QDQABIBAVHGRCE-UHFFFAOYSA-N -1 3 355.872 2.879 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)Nc1ccc(OC(F)F)cc1)NCc1ccccc1 ZINC000005258784 206191816 /nfs/dbraw/zinc/19/18/16/206191816.db2.gz RBHOBICUNDUCGQ-OAHLLOKOSA-N -1 3 364.348 2.860 50 0 FFAAHM O=C(COC(=O)c1ccc([O-])cc1O)Nc1ncc(Cl)cc1Cl ZINC000007254988 206210116 /nfs/dbraw/zinc/21/01/16/206210116.db2.gz LQAHXZUSMNYQBO-UHFFFAOYSA-N -1 3 357.149 2.595 50 0 FFAAHM C[C@H](Oc1ccccc1CN1CCN(C2CCSCC2)CC1)C(=O)[O-] ZINC000215837835 206351559 /nfs/dbraw/zinc/35/15/59/206351559.db2.gz KWCRULDTMIHEGX-HNNXBMFYSA-N -1 3 364.511 2.552 50 0 FFAAHM O=S(=O)([N-][C@H]1c2ccccc2CC12CCOCC2)c1cncc(F)c1 ZINC000329768365 258146920 /nfs/dbraw/zinc/14/69/20/258146920.db2.gz DQRZALUFNYDPOQ-KRWDZBQOSA-N -1 3 362.426 2.593 50 0 FFAAHM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(c1cc(C)nc3ccccc31)CC2 ZINC000082109663 132195632 /nfs/dbraw/zinc/19/56/32/132195632.db2.gz DJRIKJIBFHCKBC-IBGZPJMESA-N -1 3 367.449 2.835 50 0 FFAAHM CCOC(=O)[C@]([O-])(c1ccc(NC(=O)c2ccco2)cc1)C(F)(F)F ZINC000002276419 506276501 /nfs/dbraw/zinc/27/65/01/506276501.db2.gz FEQVVWUVPPKXHK-OAHLLOKOSA-N -1 3 357.284 2.845 50 0 FFAAHM O=C(COC(=O)c1ccc2c(c1)NC(=O)CCS2)Nc1ccccc1[O-] ZINC000032924305 506313031 /nfs/dbraw/zinc/31/30/31/506313031.db2.gz ONFBVANHILRMMH-UHFFFAOYSA-N -1 3 372.402 2.622 50 0 FFAAHM CCc1ccc([C@@H](C[N-]S(=O)(=O)c2ccccc2F)N(C)C)cc1 ZINC000033047886 506328907 /nfs/dbraw/zinc/32/89/07/506328907.db2.gz YRFOFHAZNXOWDL-QGZVFWFLSA-N -1 3 350.459 2.969 50 0 FFAAHM O=S(=O)([N-]c1ccc(N2CCOCC2)c(Cl)c1)c1ccccc1 ZINC000005800138 506457311 /nfs/dbraw/zinc/45/73/11/506457311.db2.gz CEGFBZUNRLHZDP-UHFFFAOYSA-N -1 3 352.843 2.977 50 0 FFAAHM O=C1OCCN1c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2F)cc1 ZINC000041452101 506522641 /nfs/dbraw/zinc/52/26/41/506522641.db2.gz MSAJDXRUWDSZRS-UHFFFAOYSA-N -1 3 354.334 2.722 50 0 FFAAHM O=c1[n-]n(CN2CCN(c3cccc(Cl)c3)CC2)c(=O)c2ccccc12 ZINC000012360252 506853918 /nfs/dbraw/zinc/85/39/18/506853918.db2.gz JACCERUYASDSAJ-UHFFFAOYSA-N -1 3 370.840 2.535 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCC3)c2)cc1 ZINC000012525810 506872467 /nfs/dbraw/zinc/87/24/67/506872467.db2.gz LEVXDLHNFQUXGG-UHFFFAOYSA-N -1 3 360.435 2.650 50 0 FFAAHM O=C(Nc1ccccc1[O-])C1CCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000012685408 506889720 /nfs/dbraw/zinc/88/97/20/506889720.db2.gz VXWRRJJAOVABNZ-UHFFFAOYSA-N -1 3 368.389 2.612 50 0 FFAAHM O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)[N-]C(=O)c1ccco1 ZINC000012723589 506892147 /nfs/dbraw/zinc/89/21/47/506892147.db2.gz LTZRWQHINSEXAU-UHFFFAOYSA-N -1 3 368.418 2.786 50 0 FFAAHM Cc1ccc(S(=O)(=O)NCCC(=O)Nc2ccc(C)cc2[O-])c(C)c1 ZINC000014094606 506965894 /nfs/dbraw/zinc/96/58/94/506965894.db2.gz BLUPDYAOMGFFAN-UHFFFAOYSA-N -1 3 362.451 2.625 50 0 FFAAHM Cc1c([O-])ccc2c(CC(=O)N3CC[C@]4(O)CCCC[C@H]4C3)cc(=O)oc12 ZINC000015954922 507066388 /nfs/dbraw/zinc/06/63/88/507066388.db2.gz YPJHBHYMJRSWQM-YCRPNKLZSA-N -1 3 371.433 2.503 50 0 biogenic FFAAHM COCCc1cc(=O)[n-]c(-c2ccc(CN(C)Cc3ccccn3)cc2)n1 ZINC000020419515 507220632 /nfs/dbraw/zinc/22/06/32/507220632.db2.gz TUTUHHZWVJISQZ-UHFFFAOYSA-N -1 3 364.449 2.653 50 0 FFAAHM COC(=O)C1CCN([C@@H](C(=O)[O-])c2c[nH]c3cc(Cl)ccc32)CC1 ZINC000020746129 507233863 /nfs/dbraw/zinc/23/38/63/507233863.db2.gz JFDJWEXZZMBSGP-OAHLLOKOSA-N -1 3 350.802 2.832 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NCCC1=CCCCC1 ZINC000021003151 507240345 /nfs/dbraw/zinc/24/03/45/507240345.db2.gz IMQAPQSIGGKDGH-UHFFFAOYSA-N -1 3 372.437 2.640 50 0 FFAAHM O=C(NCc1ccc2c(c1)OCO2)Nc1n[n-]c(-c2ccccc2F)n1 ZINC000023478602 507356090 /nfs/dbraw/zinc/35/60/90/507356090.db2.gz LPAKFUMMGDEJIF-UHFFFAOYSA-N -1 3 355.329 2.661 50 0 FFAAHM Cc1ncc(CC(=O)NCc2ccc(-c3cccc(Cl)c3)o2)c(=O)[n-]1 ZINC000071755328 507712955 /nfs/dbraw/zinc/71/29/55/507712955.db2.gz MKWQRWBHDHMQDT-UHFFFAOYSA-N -1 3 357.797 2.851 50 0 FFAAHM O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(C/C=C/c1ccccc1)CC2 ZINC000072430272 507789940 /nfs/dbraw/zinc/78/99/40/507789940.db2.gz ZWSLVLNIYHDTJO-QTWIXLPOSA-N -1 3 368.477 2.878 50 0 FFAAHM Cc1ccc(-c2nnn[n-]2)cc1-n1ccnc1-c1cnc(NC(C)C)nc1 ZINC000072440391 507792116 /nfs/dbraw/zinc/79/21/16/507792116.db2.gz TTYIHZKERXJITF-UHFFFAOYSA-N -1 3 361.413 2.638 50 0 FFAAHM Cc1ccc(-c2nn[n-]n2)cc1-n1ccnc1-c1cnc(NC(C)C)nc1 ZINC000072440391 507792117 /nfs/dbraw/zinc/79/21/17/507792117.db2.gz TTYIHZKERXJITF-UHFFFAOYSA-N -1 3 361.413 2.638 50 0 FFAAHM Cc1cccc(CN2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)n1 ZINC000072478767 507797270 /nfs/dbraw/zinc/79/72/70/507797270.db2.gz WYQTZLNAMXPTIZ-UHFFFAOYSA-N -1 3 356.470 2.960 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000095251906 508174006 /nfs/dbraw/zinc/17/40/06/508174006.db2.gz XCCQWAIPVYBTNL-RDJZCZTQSA-N -1 3 367.792 2.663 50 0 FFAAHM CN(Cc1cccnc1)[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCCC2)cc1 ZINC000095358690 508175354 /nfs/dbraw/zinc/17/53/54/508175354.db2.gz ISRZKCMKKCHUSF-SFHVURJKSA-N -1 3 368.437 2.967 50 0 FFAAHM O=C(COC(=O)c1cc(Cl)[n-]c(=O)c1)N[C@@H](c1ccccc1)C1CC1 ZINC000095469379 508187920 /nfs/dbraw/zinc/18/79/20/508187920.db2.gz JAKBZCGSRZQIMJ-KRWDZBQOSA-N -1 3 360.797 2.865 50 0 FFAAHM O=C(Nc1cc(Cl)ccc1[O-])[C@H]1CC(=O)N(c2n[nH]c3ccccc32)C1 ZINC000095479070 508188999 /nfs/dbraw/zinc/18/89/99/508188999.db2.gz ONYJLIOXWMCPRA-JTQLQIEISA-N -1 3 370.796 2.914 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1cc(C2CC2)n(C2CCCC2)n1 ZINC000096104100 508205973 /nfs/dbraw/zinc/20/59/73/508205973.db2.gz CJHOWYDYOPVMPW-UHFFFAOYSA-N -1 3 364.471 2.959 50 0 FFAAHM CCOC(=O)[C@@H]1CSCCN1Cn1nc(-c2cccs2)[n-]c1=S ZINC000096794682 508215854 /nfs/dbraw/zinc/21/58/54/508215854.db2.gz FDHANXDITKYWOH-JTQLQIEISA-N -1 3 370.525 2.607 50 0 FFAAHM COC[C@H](c1ccccn1)N(C)C(=O)c1c[n-]c2ccc(F)cc2c1=O ZINC000097642113 508227501 /nfs/dbraw/zinc/22/75/01/508227501.db2.gz BZMQEHBDCWWOEA-QGZVFWFLSA-N -1 3 355.369 2.522 50 0 FFAAHM COc1ccc([C@H]2c3c([nH]c(=O)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102650195 508280503 /nfs/dbraw/zinc/28/05/03/508280503.db2.gz XPXJZIGBKCJCBN-CQSZACIVSA-N -1 3 373.368 2.621 50 0 FFAAHM COc1cccc(SCC(=O)N(C)Cc2cccc(-c3nnn[n-]3)c2)c1 ZINC000223188535 509330763 /nfs/dbraw/zinc/33/07/63/509330763.db2.gz IBANUPLMEGIEDN-UHFFFAOYSA-N -1 3 369.450 2.626 50 0 FFAAHM COc1cccc(SCC(=O)N(C)Cc2cccc(-c3nn[n-]n3)c2)c1 ZINC000223188535 509330767 /nfs/dbraw/zinc/33/07/67/509330767.db2.gz IBANUPLMEGIEDN-UHFFFAOYSA-N -1 3 369.450 2.626 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](O)c1csc2ccccc12 ZINC000225695645 509384623 /nfs/dbraw/zinc/38/46/23/509384623.db2.gz QBHIPXKEAXJTDA-ZDUSSCGKSA-N -1 3 352.437 2.518 50 0 FFAAHM Cc1nn(C)c(C)c1CNc1ccc(F)c(S(=O)(=O)[N-]C(C)(C)C)c1 ZINC000239619539 509840210 /nfs/dbraw/zinc/84/02/10/509840210.db2.gz BFIFWIGAFWZVHF-UHFFFAOYSA-N -1 3 368.478 2.865 50 0 FFAAHM O=c1[n-]c(CN2CCC([C@@H](O)c3ccccn3)CC2)nc2ccsc21 ZINC000253536688 509887248 /nfs/dbraw/zinc/88/72/48/509887248.db2.gz KQKPDQQXYWLNCI-MRXNPFEDSA-N -1 3 356.451 2.738 50 0 FFAAHM O=C([O-])Cn1nccc1[C@@H]1CCCN(Cc2cnn(-c3ccccc3)c2)C1 ZINC000426535918 513972995 /nfs/dbraw/zinc/97/29/95/513972995.db2.gz QXZAAUXHJXSBOQ-QGZVFWFLSA-N -1 3 365.437 2.533 50 0 FFAAHM CCN1CCC[C@@H]1CNC(=O)c1ccc(-c2cc(C(=O)[O-])ccn2)cc1 ZINC000426550367 513977253 /nfs/dbraw/zinc/97/72/53/513977253.db2.gz FXAZCHDNXGPEHD-QGZVFWFLSA-N -1 3 353.422 2.661 50 0 FFAAHM COCCC[C@@H]1CCCCN1C(=O)c1ccc(-c2cc(=O)[n-]c(N)n2)cc1 ZINC000426612212 513994748 /nfs/dbraw/zinc/99/47/48/513994748.db2.gz CFDWXVWVAFAKOM-INIZCTEOSA-N -1 3 370.453 2.853 50 0 FFAAHM CCCNc1ncc(CN2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)cn1 ZINC000091585637 520190841 /nfs/dbraw/zinc/19/08/41/520190841.db2.gz CFKUKJZRRJABBK-DLBZAZTESA-N -1 3 358.417 2.738 50 0 FFAAHM CCCn1ncc(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c1C ZINC000091518884 521671852 /nfs/dbraw/zinc/67/18/52/521671852.db2.gz KKZDUMRJNQMOGM-DLBZAZTESA-N -1 3 371.437 2.630 50 0 FFAAHM CSc1nc(C)c(CCC(=O)Nc2nnc(-c3ccccn3)[n-]2)c(C)n1 ZINC000047343096 570886303 /nfs/dbraw/zinc/88/63/03/570886303.db2.gz VYGDBOWVFQJNKB-UHFFFAOYSA-N -1 3 369.454 2.567 50 0 FFAAHM CSc1nc(C)c(CCC(=O)Nc2nc(-c3ccccn3)n[n-]2)c(C)n1 ZINC000047343096 570886307 /nfs/dbraw/zinc/88/63/07/570886307.db2.gz VYGDBOWVFQJNKB-UHFFFAOYSA-N -1 3 369.454 2.567 50 0 FFAAHM CSc1nc(C)c(CCC(=O)Nc2n[n-]c(-c3ccccn3)n2)c(C)n1 ZINC000047343096 570886314 /nfs/dbraw/zinc/88/63/14/570886314.db2.gz VYGDBOWVFQJNKB-UHFFFAOYSA-N -1 3 369.454 2.567 50 0 FFAAHM O=C(NN=c1ccc(Cl)n[n-]1)N[C@H]1CCCOc2ccc(F)cc21 ZINC000071823353 571220692 /nfs/dbraw/zinc/22/06/92/571220692.db2.gz GKOIQUCOTFTPFR-NSHDSACASA-N -1 3 351.769 2.809 50 0 FFAAHM CCc1ccc(S(=O)(=O)c2cnc3cc(OC)c(OC)cc3c2[O-])cc1 ZINC000004317866 204132563 /nfs/dbraw/zinc/13/25/63/204132563.db2.gz HPNOLSCHRAWXJQ-UHFFFAOYSA-N -1 3 373.430 2.941 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000004473878 204139269 /nfs/dbraw/zinc/13/92/69/204139269.db2.gz VDIZIYFCLMTVGZ-RDJZCZTQSA-N -1 3 367.792 2.663 50 0 FFAAHM COc1ccc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)cc1 ZINC000005488549 204210881 /nfs/dbraw/zinc/21/08/81/204210881.db2.gz PRUBETMBRUZHPM-UHFFFAOYSA-N -1 3 355.419 2.919 50 0 FFAAHM O=C(CSc1n[n-]c(-c2cccs2)n1)NC(=O)NCc1ccccc1 ZINC000005017271 204184671 /nfs/dbraw/zinc/18/46/71/204184671.db2.gz JPDSKEBONMOTAC-UHFFFAOYSA-N -1 3 373.463 2.651 50 0 FFAAHM COc1ccc(OCc2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)cc1 ZINC000006490683 204249097 /nfs/dbraw/zinc/24/90/97/204249097.db2.gz GYVYVKJZPBUAMQ-UHFFFAOYSA-N -1 3 371.418 2.915 50 0 FFAAHM Cc1c([O-])ccc2c(COC(=O)c3ccc4c(c3)OCO4)cc(=O)oc12 ZINC000006608897 204255905 /nfs/dbraw/zinc/25/59/05/204255905.db2.gz WBTCKBWBMDLLAB-UHFFFAOYSA-N -1 3 354.314 2.893 50 0 FFAAHM COc1ccc(Br)cc1S(=O)(=O)[N-]Cc1cccs1 ZINC000007213625 204292007 /nfs/dbraw/zinc/29/20/07/204292007.db2.gz KAGDCLWKPDJQIY-UHFFFAOYSA-N -1 3 362.270 2.998 50 0 FFAAHM CC(=O)c1sc2[n-]c(CSc3nnc4ccccn43)nc(=O)c2c1C ZINC000008343585 204328723 /nfs/dbraw/zinc/32/87/23/204328723.db2.gz MARUBAJBTGMPDP-UHFFFAOYSA-N -1 3 371.447 2.831 50 0 FFAAHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]Cc2ccc(Cl)cc2)s1 ZINC000008608518 204335939 /nfs/dbraw/zinc/33/59/39/204335939.db2.gz RGJYFWGKXNQVRF-UHFFFAOYSA-N -1 3 358.872 2.582 50 0 FFAAHM C/C=C/c1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000009447943 204368119 /nfs/dbraw/zinc/36/81/19/204368119.db2.gz LBSRUETXNNFIKM-HWKANZROSA-N -1 3 365.393 2.926 50 0 FFAAHM C/C=C/c1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000009447943 204368123 /nfs/dbraw/zinc/36/81/23/204368123.db2.gz LBSRUETXNNFIKM-HWKANZROSA-N -1 3 365.393 2.926 50 0 FFAAHM Cc1cccc(CNC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)c1 ZINC000009528395 204373597 /nfs/dbraw/zinc/37/35/97/204373597.db2.gz SRQUAXRLOWSFEI-MRXNPFEDSA-N -1 3 366.508 2.676 50 0 FFAAHM Cc1cccc2sc([N-]C(=O)c3nnn(-c4ccc(F)cc4)n3)nc21 ZINC000075163577 205036250 /nfs/dbraw/zinc/03/62/50/205036250.db2.gz KTAMMTSTTKAKCD-UHFFFAOYSA-N -1 3 354.370 2.972 50 0 FFAAHM O=C(Nc1nnc(SCc2cc(=O)c([O-])co2)s1)c1cccs1 ZINC000041127968 205088365 /nfs/dbraw/zinc/08/83/65/205088365.db2.gz YRMQVCZYVQOLJM-UHFFFAOYSA-N -1 3 367.433 2.803 50 0 FFAAHM COc1cc(NC(=O)c2c[n-]c3ccc(F)cc3c2=O)cc(OC)c1OC ZINC000044900890 205112914 /nfs/dbraw/zinc/11/29/14/205112914.db2.gz RXYGUMDOZXVTGM-UHFFFAOYSA-N -1 3 372.352 2.945 50 0 FFAAHM COc1cc(NC(=O)c2cnc3ccc(F)cc3c2[O-])cc(OC)c1OC ZINC000044900890 205112917 /nfs/dbraw/zinc/11/29/17/205112917.db2.gz RXYGUMDOZXVTGM-UHFFFAOYSA-N -1 3 372.352 2.945 50 0 FFAAHM Cn1cc(NC(=O)c2cc(=O)c(OCc3ccc(Cl)cc3)c[n-]2)cn1 ZINC000061721075 205288247 /nfs/dbraw/zinc/28/82/47/205288247.db2.gz PGGHFNSYUJJLBR-UHFFFAOYSA-N -1 3 358.785 2.593 50 0 FFAAHM CCN1CCn2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2C1=O ZINC000065254719 205329869 /nfs/dbraw/zinc/32/98/69/205329869.db2.gz GOMPRSWASTXJFV-UHFFFAOYSA-N -1 3 371.821 2.557 50 0 FFAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccc([S@](C)=O)cc3)c2)n1 ZINC000065492387 205356159 /nfs/dbraw/zinc/35/61/59/205356159.db2.gz KOIMZSMAXULLQV-AREMUKBSSA-N -1 3 367.430 2.735 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@H]2c1cc2ccccc2n(C)c1=O ZINC000071283101 205425081 /nfs/dbraw/zinc/42/50/81/205425081.db2.gz WCQSYIBXMSWAKM-LBPRGKRZSA-N -1 3 352.394 2.733 50 0 FFAAHM CCc1nc(C)c(Cc2nc(COc3cccc(F)c3)nn2CC)c(=O)[n-]1 ZINC000096161938 205841526 /nfs/dbraw/zinc/84/15/26/205841526.db2.gz ZFSDXBMAFRUSMJ-UHFFFAOYSA-N -1 3 371.416 2.561 50 0 FFAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1ccc(F)c(F)c1 ZINC000047031882 206079389 /nfs/dbraw/zinc/07/93/89/206079389.db2.gz DKAPARYMUWGTFQ-HNNXBMFYSA-N -1 3 356.394 2.673 50 0 FFAAHM CCCC1N=NC(=S)N1CC(=O)Nc1cc(Br)ccc1[O-] ZINC000126648535 206117722 /nfs/dbraw/zinc/11/77/22/206117722.db2.gz MAWZUNWUYIMVSK-UHFFFAOYSA-N -1 3 371.260 2.626 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(C)=O)CC3)c(C)c1 ZINC000013697077 206304257 /nfs/dbraw/zinc/30/42/57/206304257.db2.gz MDPWRXFFAUJFTB-UHFFFAOYSA-N -1 3 360.435 2.713 50 0 FFAAHM Cc1cccc(N2CC[C@@H](CNC(=O)c3cc(C(C)(C)C)nc(=O)[n-]3)C2)c1 ZINC000220313570 206398930 /nfs/dbraw/zinc/39/89/30/206398930.db2.gz WUOFISBMCNEMOI-HNNXBMFYSA-N -1 3 368.481 2.632 50 0 FFAAHM C[C@@H]1C=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000239347111 206545885 /nfs/dbraw/zinc/54/58/85/206545885.db2.gz MDEGNVHESXQNCJ-DVYJOKAKSA-N -1 3 353.205 2.835 50 0 FFAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3F)cc3c2N1CCC3 ZINC000005154145 132256607 /nfs/dbraw/zinc/25/66/07/132256607.db2.gz CMAIOGSKEHGVPT-UHFFFAOYSA-N -1 3 360.410 2.852 50 0 FFAAHM Cc1ccc(C(=O)N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)c([O-])c1 ZINC000072166856 136143461 /nfs/dbraw/zinc/14/34/61/136143461.db2.gz UOQYUZVQVLINQX-QGZVFWFLSA-N -1 3 366.465 2.869 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Br)cc2)N1 ZINC000001212293 506256835 /nfs/dbraw/zinc/25/68/35/506256835.db2.gz JSTDOPWQUVHKDA-LLVKDONJSA-N -1 3 351.122 2.922 50 0 FFAAHM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000032854952 506303320 /nfs/dbraw/zinc/30/33/20/506303320.db2.gz PNFSFXZWNOENJG-BJMVGYQFSA-N -1 3 373.430 2.999 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)[C@H]1CON(C)[C@@H]1c1ccccc1F)c1ccccc1 ZINC000034738882 506370683 /nfs/dbraw/zinc/37/06/83/506370683.db2.gz YOTFMCYXWYJHPJ-DOPJRALCSA-N -1 3 364.442 2.793 50 0 FFAAHM CCCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)cc1 ZINC000010063782 506724454 /nfs/dbraw/zinc/72/44/54/506724454.db2.gz VSIDMYARRUEEMD-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM O=C(Nc1cccc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)c1)C(F)(F)F ZINC000011333019 506773276 /nfs/dbraw/zinc/77/32/76/506773276.db2.gz ODMSWZPKOLHQIX-ZROIWOOFSA-N -1 3 360.291 2.998 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@@H](CCCc2ccccc2)C1 ZINC000012192076 506832027 /nfs/dbraw/zinc/83/20/27/506832027.db2.gz MUBCVXDDYPRPLY-KRWDZBQOSA-N -1 3 350.422 2.822 50 0 FFAAHM CCOC(=O)COc1c(Cl)cc(C=C2SC(=O)[N-]C2=O)cc1OC ZINC000013843861 506957605 /nfs/dbraw/zinc/95/76/05/506957605.db2.gz FMXZTWIOZCGHES-WDZFZDKYSA-N -1 3 371.798 2.614 50 0 FFAAHM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(Cc2ccccn2)CC1 ZINC000020721050 507234021 /nfs/dbraw/zinc/23/40/21/507234021.db2.gz BAJGZAVRNWCDPW-FQEVSTJZSA-N -1 3 364.449 2.815 50 0 FFAAHM CS(=O)(=O)[N-]c1cc(NC(=O)c2cc3c(s2)CCC3)ccc1F ZINC000024462464 507413287 /nfs/dbraw/zinc/41/32/87/507413287.db2.gz RVFIQQRTWNZUOJ-UHFFFAOYSA-N -1 3 354.428 3.000 50 0 FFAAHM CC(C)CC[C@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000027938350 507694035 /nfs/dbraw/zinc/69/40/35/507694035.db2.gz SOKXMLXQXXGNLU-NSHDSACASA-N -1 3 367.920 2.847 50 0 FFAAHM CC(C)[C@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCCN1Cc1ccc(F)cc1 ZINC000071763701 507714520 /nfs/dbraw/zinc/71/45/20/507714520.db2.gz NWZPJMYHGBKNIK-QGZVFWFLSA-N -1 3 360.433 2.627 50 0 FFAAHM Cc1ccc(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)cc1O ZINC000072153045 507761628 /nfs/dbraw/zinc/76/16/28/507761628.db2.gz YQCRPIFEFZYRBX-UHFFFAOYSA-N -1 3 361.401 2.649 50 0 FFAAHM Cc1cc(CN2CCC3(C[C@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)oc1C ZINC000072420233 507786643 /nfs/dbraw/zinc/78/66/43/507786643.db2.gz LHKNVLMRZFPUKU-QGZVFWFLSA-N -1 3 360.454 2.574 50 0 FFAAHM O=C(c1cccc([O-])c1)N1CCN(CCCc2ccccc2)[C@H](CCO)C1 ZINC000072478727 507797062 /nfs/dbraw/zinc/79/70/62/507797062.db2.gz AKBKLFYTFIPBKV-HXUWFJFHSA-N -1 3 368.477 2.534 50 0 FFAAHM Cc1nc(C)c(CC(=O)N2CCC[C@H]2c2nc3ccccc3s2)c(=O)[n-]1 ZINC000031278116 507818812 /nfs/dbraw/zinc/81/88/12/507818812.db2.gz FZIILRLAODSJTK-HNNXBMFYSA-N -1 3 368.462 2.903 50 0 FFAAHM O=C([O-])c1ccc(CN2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)cc1 ZINC000091625260 507997103 /nfs/dbraw/zinc/99/71/03/507997103.db2.gz GBRCTYPHANKAKM-VQIMIIECSA-N -1 3 365.433 2.516 50 0 FFAAHM CN(C)[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 ZINC000095350900 508173999 /nfs/dbraw/zinc/17/39/99/508173999.db2.gz GNPDKMZMOMQUFK-MRXNPFEDSA-N -1 3 358.385 2.685 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)C3=Cc4ccccc4OC=C3)C2)cc(=O)[n-]1 ZINC000095388726 508183089 /nfs/dbraw/zinc/18/30/89/508183089.db2.gz VDYSUHFBFUOBAJ-QGZVFWFLSA-N -1 3 363.417 2.774 50 0 FFAAHM COc1cc(C)cc([C@@H](C(=O)[O-])N2CCC(Cn3ccnc3)CC2)c1OC ZINC000095528894 508196206 /nfs/dbraw/zinc/19/62/06/508196206.db2.gz LJBKOMZEWXFSRT-SFHVURJKSA-N -1 3 373.453 2.747 50 0 FFAAHM O=C(COC1CCCCC1)N[C@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000095989769 508200808 /nfs/dbraw/zinc/20/08/08/508200808.db2.gz TVHFWYTUKAQTSI-OAQYLSRUSA-N -1 3 374.481 2.571 50 0 FFAAHM Cc1ccc(/C=C\S(=O)(=O)NCCC(=O)Nc2ccccc2[O-])cc1 ZINC000096924955 508215840 /nfs/dbraw/zinc/21/58/40/508215840.db2.gz ZHLJGRGMLWLDHN-QBFSEMIESA-N -1 3 360.435 2.620 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100053603 508238148 /nfs/dbraw/zinc/23/81/48/508238148.db2.gz VDIZIYFCLMTVGZ-NVXWUHKLSA-N -1 3 367.792 2.663 50 0 FFAAHM COc1ccsc1S(=O)(=O)[N-]C[C@@H]1CCO[C@H]1c1ccccc1 ZINC000192267781 509434616 /nfs/dbraw/zinc/43/46/16/509434616.db2.gz YTWRBLLMBJDWSO-ZFWWWQNUSA-N -1 3 353.465 2.813 50 0 FFAAHM O=C(c1cccc2[n-]nnc21)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000170603024 509678303 /nfs/dbraw/zinc/67/83/03/509678303.db2.gz NGNBWHVJHPDGHO-UHFFFAOYSA-N -1 3 358.348 2.920 50 0 FFAAHM O=C(c1cccc2nn[n-]c21)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000170603024 509678306 /nfs/dbraw/zinc/67/83/06/509678306.db2.gz NGNBWHVJHPDGHO-UHFFFAOYSA-N -1 3 358.348 2.920 50 0 FFAAHM O=C(c1cccc2n[n-]nc21)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC000170603024 509678311 /nfs/dbraw/zinc/67/83/11/509678311.db2.gz NGNBWHVJHPDGHO-UHFFFAOYSA-N -1 3 358.348 2.920 50 0 FFAAHM C[C@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000170610709 509680064 /nfs/dbraw/zinc/68/00/64/509680064.db2.gz DQGGKZHQHZEOFR-QWRGUYRKSA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000170610709 509680072 /nfs/dbraw/zinc/68/00/72/509680072.db2.gz DQGGKZHQHZEOFR-QWRGUYRKSA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000170610709 509680080 /nfs/dbraw/zinc/68/00/80/509680080.db2.gz DQGGKZHQHZEOFR-QWRGUYRKSA-N -1 3 356.357 2.520 50 0 FFAAHM O=C([O-])CC[C@H]1CN(Cc2ccc(Cl)cc2)CC[C@H]1N1CCOCC1 ZINC000299766013 511672688 /nfs/dbraw/zinc/67/26/88/511672688.db2.gz ANYLOIRMHMQUFF-FUHWJXTLSA-N -1 3 366.889 2.728 50 0 FFAAHM Cc1[nH]c(=O)[n-]c(=O)c1-c1cccc(C(=O)NCCCOC2CCCC2)c1 ZINC000426422714 513936321 /nfs/dbraw/zinc/93/63/21/513936321.db2.gz CLOUFKHBNNDDJQ-UHFFFAOYSA-N -1 3 371.437 2.942 50 0 FFAAHM COc1cc(F)c(CN2C[C@@H](C(=O)[O-])[C@H](c3ccccn3)C2)cc1OC ZINC000091256074 522565180 /nfs/dbraw/zinc/56/51/80/522565180.db2.gz DHWFZQQFPQJSJS-ZIAGYGMSSA-N -1 3 360.385 2.538 50 0 FFAAHM Cc1ccc(-c2nn3c([n-]2)nc(CN2CCC(C)CC2)cc3=O)cc1C ZINC000101842180 570823579 /nfs/dbraw/zinc/82/35/79/570823579.db2.gz VOHJQUATWPHFAA-UHFFFAOYSA-N -1 3 351.454 2.933 50 0 FFAAHM CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1c[n-]c2ccccc2c1=O ZINC000046017157 570919587 /nfs/dbraw/zinc/91/95/87/570919587.db2.gz ZRKGKBKBFZZCDP-UHFFFAOYSA-N -1 3 364.401 2.962 50 0 FFAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cccc(C)c1)CC(=O)N2 ZINC000046074014 570924105 /nfs/dbraw/zinc/92/41/05/570924105.db2.gz UDSSWKRRJHPORZ-LBPRGKRZSA-N -1 3 372.450 2.645 50 0 FFAAHM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1C[C@@H](O)c1ccccc1 ZINC000736810386 599959957 /nfs/dbraw/zinc/95/99/57/599959957.db2.gz OEXWLDDDODUBEW-OXJNMPFZSA-N -1 3 354.450 2.625 50 0 FFAAHM COC(=O)c1c(C)c(C)sc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000102211597 728489931 /nfs/dbraw/zinc/48/99/31/728489931.db2.gz HPNDXZLEEWFMCK-JYRVWZFOSA-N -1 3 356.403 2.875 50 0 FFAAHM CO[C@H](C)CCC(=O)Nc1[n-]ncc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000585138363 845949429 /nfs/dbraw/zinc/94/94/29/845949429.db2.gz JWNGHCVGJZZCCB-SNVBAGLBSA-N -1 3 371.846 2.650 50 0 FFAAHM CO[C@H](C)CCC(=O)Nc1n[n-]cc1S(=O)(=O)c1ccc(Cl)cc1 ZINC000585138363 845949440 /nfs/dbraw/zinc/94/94/40/845949440.db2.gz JWNGHCVGJZZCCB-SNVBAGLBSA-N -1 3 371.846 2.650 50 0 FFAAHM Cc1cccc(Cc2nnc([N-]C(=O)c3cc4ncccn4n3)s2)c1 ZINC001529181676 1062206915 /nfs/dbraw/zinc/20/69/15/1062206915.db2.gz UQVFBSXOWKKHAP-UHFFFAOYSA-N -1 3 350.407 2.732 50 0 FFAAHM CCOC(=O)[C@@]([O-])(c1ccc(N(C)C(=O)OC(C)C)cc1)C(F)(F)F ZINC000002900754 204066052 /nfs/dbraw/zinc/06/60/52/204066052.db2.gz UKHLAJXQJIUJMY-HNNXBMFYSA-N -1 3 363.332 2.981 50 0 FFAAHM CCOC(=O)[C@@]([N-]c1ccc(F)c(Cl)c1)(NC(C)=O)C(F)(F)F ZINC000003138006 204079440 /nfs/dbraw/zinc/07/94/40/204079440.db2.gz LJYMQRUXEFGNED-LBPRGKRZSA-N -1 3 356.703 2.849 50 0 FFAAHM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]Cc1ccc2c(c1)OCO2 ZINC000002700498 204051720 /nfs/dbraw/zinc/05/17/20/204051720.db2.gz FPDFYWLPBBHWLZ-UHFFFAOYSA-N -1 3 369.826 2.946 50 0 FFAAHM COc1ccc(NC(=O)[C@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000003907478 204116152 /nfs/dbraw/zinc/11/61/52/204116152.db2.gz ZYDSFZIIAHEFFX-OAHLLOKOSA-N -1 3 368.480 2.698 50 0 FFAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1ccc(Cl)cc1Cl)C(F)(F)F ZINC000004568385 204148021 /nfs/dbraw/zinc/14/80/21/204148021.db2.gz DHQPZEZRSQIEBC-NSHDSACASA-N -1 3 360.115 2.788 50 0 FFAAHM COc1ccc(C(=O)N2NC(C(F)(F)F)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000004863217 204171147 /nfs/dbraw/zinc/17/11/47/204171147.db2.gz RETLZFUQLUKTHR-NSHDSACASA-N -1 3 356.222 2.710 50 0 FFAAHM CCn1ncc(-n2c(Cn3nc(C)c(Cl)c3C)n[n-]c2=S)c1C ZINC000008339755 204327889 /nfs/dbraw/zinc/32/78/89/204327889.db2.gz DWGVNHQFIHSFCX-UHFFFAOYSA-N -1 3 351.867 2.596 50 0 FFAAHM COC(=O)c1sc2cccc(F)c2c1S(=O)(=O)[N-]Cc1ccco1 ZINC000009320849 204363986 /nfs/dbraw/zinc/36/39/86/204363986.db2.gz JLXFDCJODAAGOX-UHFFFAOYSA-N -1 3 369.395 2.899 50 0 FFAAHM COc1cc(N[C@H](C)C(=O)[N-]c2cc(C)no2)ccc1N1CCCC1=O ZINC000010185362 204391898 /nfs/dbraw/zinc/39/18/98/204391898.db2.gz BBVSVVHZBVLGAJ-GFCCVEGCSA-N -1 3 358.398 2.558 50 0 FFAAHM COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)cc(Cl)c1[O-] ZINC000039383915 205044023 /nfs/dbraw/zinc/04/40/23/205044023.db2.gz JSSYOUYULPZJJS-ZSOIEALJSA-N -1 3 358.806 2.825 50 0 FFAAHM COc1cc(CS(=O)(=O)c2nc(C(C)C)n[n-]2)ccc1OC(F)F ZINC000040152206 205060541 /nfs/dbraw/zinc/06/05/41/205060541.db2.gz DCLLVZCMSDHMBK-UHFFFAOYSA-N -1 3 361.370 2.512 50 0 FFAAHM COc1cc(CS(=O)(=O)c2nnc(C(C)C)[n-]2)ccc1OC(F)F ZINC000040152206 205060544 /nfs/dbraw/zinc/06/05/44/205060544.db2.gz DCLLVZCMSDHMBK-UHFFFAOYSA-N -1 3 361.370 2.512 50 0 FFAAHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1cccs1)N1CCCC1 ZINC000047032242 205140981 /nfs/dbraw/zinc/14/09/81/205140981.db2.gz QCJAJNJWROKFJL-HNNXBMFYSA-N -1 3 366.508 2.872 50 0 FFAAHM COc1ccccc1-c1nc(NC(=O)c2ccc3c(c2)OCCCO3)n[n-]1 ZINC000048011996 205150965 /nfs/dbraw/zinc/15/09/65/205150965.db2.gz ZGLKKFWDNMXLNO-UHFFFAOYSA-N -1 3 366.377 2.894 50 0 FFAAHM COC(=O)COc1c(C)cc(/C=C2\C(=O)[N-]C(=O)c3ccccc32)cc1C ZINC000063874351 205295704 /nfs/dbraw/zinc/29/57/04/205295704.db2.gz URNJFZOTSLKERB-YVLHZVERSA-N -1 3 365.385 2.666 50 0 FFAAHM COC(=O)c1[n-]nc2c1[C@@H](C1=Cc3cc(Cl)ccc3OC1)CC(=O)N2 ZINC000065432918 205350927 /nfs/dbraw/zinc/35/09/27/205350927.db2.gz OMSIVXIDLGTSDR-LLVKDONJSA-N -1 3 359.769 2.752 50 0 FFAAHM COC(=O)c1n[n-]c2c1[C@@H](C1=Cc3cc(Cl)ccc3OC1)CC(=O)N2 ZINC000065432918 205350931 /nfs/dbraw/zinc/35/09/31/205350931.db2.gz OMSIVXIDLGTSDR-LLVKDONJSA-N -1 3 359.769 2.752 50 0 FFAAHM CSCc1noc(-c2nc3c([n-]2)C[C@@H](c2ccc(F)cc2)CNC3=O)n1 ZINC000065434727 205349611 /nfs/dbraw/zinc/34/96/11/205349611.db2.gz UAFOXQFHDNBYSY-SNVBAGLBSA-N -1 3 373.413 2.532 50 0 FFAAHM CSCc1noc(-c2nc3c([n-]2)C(=O)NC[C@H](c2ccc(F)cc2)C3)n1 ZINC000065434727 205349615 /nfs/dbraw/zinc/34/96/15/205349615.db2.gz UAFOXQFHDNBYSY-SNVBAGLBSA-N -1 3 373.413 2.532 50 0 FFAAHM Cc1ccccc1[C@H]1CCN(CCNC(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000097732954 205923776 /nfs/dbraw/zinc/92/37/76/205923776.db2.gz PKGUKPOWTWFPCY-SFHVURJKSA-N -1 3 352.434 2.913 50 0 FFAAHM COc1cccc2cc(C(=O)[N-]c3nnc(-c4cc(C)n(C)n4)o3)oc21 ZINC000012443151 206292040 /nfs/dbraw/zinc/29/20/40/206292040.db2.gz LLKUZTMQNUXRIF-UHFFFAOYSA-N -1 3 353.338 2.786 50 0 FFAAHM COc1ccc2[n-]cc(C(=O)N[C@@H](C)c3nnc(C(C)C)o3)c(=O)c2c1 ZINC000216154948 206356124 /nfs/dbraw/zinc/35/61/24/206356124.db2.gz WEIYZGSVUYLMGB-JTQLQIEISA-N -1 3 356.382 2.534 50 0 FFAAHM COc1cc(Cl)cc(CN(C)C2CCN(C)CC2)c1O[C@@H](C)C(=O)[O-] ZINC000216274757 206358744 /nfs/dbraw/zinc/35/87/44/206358744.db2.gz NMKLHEOLKVQEKO-LBPRGKRZSA-N -1 3 370.877 2.727 50 0 FFAAHM O=C(Nc1ncccc1[O-])c1ccc2c(c1)nc1n(c2=O)CCCCCC1 ZINC000022264818 220381660 /nfs/dbraw/zinc/38/16/60/220381660.db2.gz GYEMJQWSDAIULS-UHFFFAOYSA-N -1 3 364.405 2.866 50 0 FFAAHM CCSc1nnc([C@@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)n1C ZINC000014987810 507010180 /nfs/dbraw/zinc/01/01/80/507010180.db2.gz JGWKFNXTXLZKTQ-SSDOTTSWSA-N -1 3 366.921 2.682 50 0 FFAAHM COc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000032117694 506232159 /nfs/dbraw/zinc/23/21/59/506232159.db2.gz SOIAXOUTRDUZBI-CJNGLKHVSA-N -1 3 372.343 2.713 50 0 FFAAHM C[C@@H](OC(=O)CC1CCCC1)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000032671838 506277081 /nfs/dbraw/zinc/27/70/81/506277081.db2.gz QEVWAWYDMJVGOO-GFCCVEGCSA-N -1 3 353.440 2.753 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 ZINC000010890736 506757207 /nfs/dbraw/zinc/75/72/07/506757207.db2.gz MWMGLBQUYKPPQT-UHFFFAOYSA-N -1 3 371.462 2.833 50 0 FFAAHM Nc1nccnc1C(=O)[N-]c1nnc(C23CC4CC(CC(C4)C2)C3)s1 ZINC000012748349 506895275 /nfs/dbraw/zinc/89/52/75/506895275.db2.gz IKEZDBHRTGFAMS-UHFFFAOYSA-N -1 3 356.455 2.630 50 0 FFAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1ccccc1 ZINC000012769275 506898574 /nfs/dbraw/zinc/89/85/74/506898574.db2.gz KAFRCLRHOFIBFL-UHFFFAOYSA-N -1 3 353.422 2.681 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N[C@H](C)c1ccc(F)cc1F ZINC000012894049 506911355 /nfs/dbraw/zinc/91/13/55/506911355.db2.gz JDMYUNJKBGPQLU-MRVPVSSYSA-N -1 3 353.394 2.829 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N(C)Cc1cccc(Cl)c1 ZINC000012898070 506914655 /nfs/dbraw/zinc/91/46/55/506914655.db2.gz CNYPNJPNMGQDAH-UHFFFAOYSA-N -1 3 351.859 2.986 50 0 FFAAHM COC(=O)C[C@@H](NC(=O)c1ccc2n[n-]nc2c1)c1ccc(Cl)cc1 ZINC000014095350 506966321 /nfs/dbraw/zinc/96/63/21/506966321.db2.gz QUJABHZNGBJXQP-CQSZACIVSA-N -1 3 358.785 2.646 50 0 FFAAHM Cc1noc(C)c1C[N-]S(=O)(=O)c1sccc1Br ZINC000067879504 507037175 /nfs/dbraw/zinc/03/71/75/507037175.db2.gz PUOBTFSPUQBXTD-UHFFFAOYSA-N -1 3 351.247 2.594 50 0 FFAAHM CCOC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]Cc2ccccc2)c1 ZINC000016222420 507078635 /nfs/dbraw/zinc/07/86/35/507078635.db2.gz CKMDXZXXBLQUNQ-UHFFFAOYSA-N -1 3 353.827 2.995 50 0 FFAAHM O=C([N-]C1=NCCS1)C1CCN(C(=O)c2cccc3ccccc32)CC1 ZINC000016884567 507109665 /nfs/dbraw/zinc/10/96/65/507109665.db2.gz CBAFXCYWECYJKH-UHFFFAOYSA-N -1 3 367.474 2.911 50 0 FFAAHM O=c1cc(-c2ccccc2Cl)nc(-c2cccc(CN3CC(O)C3)c2)[n-]1 ZINC000023619296 507362801 /nfs/dbraw/zinc/36/28/01/507362801.db2.gz NRRNVYCDMYJICD-UHFFFAOYSA-N -1 3 367.836 2.934 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)Cc1coc(-c2ccccc2)n1 ZINC000024892309 507447430 /nfs/dbraw/zinc/44/74/30/507447430.db2.gz HIJZPMWLPDJTRE-UHFFFAOYSA-N -1 3 371.418 2.894 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 ZINC000025096934 507467363 /nfs/dbraw/zinc/46/73/63/507467363.db2.gz JJXRDUOSQOSVGM-UHFFFAOYSA-N -1 3 374.397 2.840 50 0 FFAAHM O=C(c1ccc([O-])cc1)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072153804 507762764 /nfs/dbraw/zinc/76/27/64/507762764.db2.gz DRMIXXIWQJAIEE-PWRODBHTSA-N -1 3 364.445 2.800 50 0 FFAAHM COC(=O)c1cc(S(=O)(=O)[N-][C@@H](C)C(C)C)c(Br)s1 ZINC000030290370 507805412 /nfs/dbraw/zinc/80/54/12/507805412.db2.gz OYYXFQYYAAWAKO-ZETCQYMHSA-N -1 3 370.290 2.620 50 0 FFAAHM O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@H](c2cc(=O)[n-]cn2)C1 ZINC000091892832 508022381 /nfs/dbraw/zinc/02/23/81/508022381.db2.gz CGPPVMKSFQMTDO-AWEZNQCLSA-N -1 3 355.442 2.561 50 0 FFAAHM O=C(c1c[nH]nc1C1CCCCC1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000091892829 508022517 /nfs/dbraw/zinc/02/25/17/508022517.db2.gz CGPPVMKSFQMTDO-CQSZACIVSA-N -1 3 355.442 2.561 50 0 FFAAHM O=C(c1ncccc1[O-])N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095365493 508176692 /nfs/dbraw/zinc/17/66/92/508176692.db2.gz RUQVJZNMWCJFHY-PWIZWCRZSA-N -1 3 367.424 2.629 50 0 FFAAHM COc1cc2n[n-]nc2cc1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 ZINC000096012429 508202514 /nfs/dbraw/zinc/20/25/14/508202514.db2.gz FOBILTUOKXYDLF-NSHDSACASA-N -1 3 357.439 2.751 50 0 FFAAHM O=C(/C=C\c1ccco1)Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1 ZINC000096884205 508215697 /nfs/dbraw/zinc/21/56/97/508215697.db2.gz OKBZDAAUIWJRIF-YVMONPNESA-N -1 3 374.340 2.772 50 0 FFAAHM O=S(=O)([N-][C@@H]1CCCCN(Cc2ccccn2)C1)c1ccccc1F ZINC000082092387 508224947 /nfs/dbraw/zinc/22/49/47/508224947.db2.gz PNCALAMYKKOEMI-MRXNPFEDSA-N -1 3 363.458 2.554 50 0 FFAAHM C[C@H]1CN(C)CCCN1Cc1cc(-c2cccnc2)ccc1OCC(=O)[O-] ZINC000097785235 508229886 /nfs/dbraw/zinc/22/98/86/508229886.db2.gz SAKXTSZJYIGDTD-INIZCTEOSA-N -1 3 369.465 2.738 50 0 FFAAHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100224957 508239072 /nfs/dbraw/zinc/23/90/72/508239072.db2.gz SWLLRBKZGOIQEH-WBVHZDCISA-N -1 3 367.792 2.663 50 0 FFAAHM Nc1ncc(Br)cc1C[N-]C(=O)C(F)(F)c1ccccc1F ZINC000225837721 509391349 /nfs/dbraw/zinc/39/13/49/509391349.db2.gz HEGLVKWAMWOPRT-UHFFFAOYSA-N -1 3 374.160 2.974 50 0 FFAAHM COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000299779423 511677088 /nfs/dbraw/zinc/67/70/88/511677088.db2.gz RSSKHHGJLOGSJW-MRXNPFEDSA-N -1 3 371.437 2.769 50 0 FFAAHM CO[C@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000426382845 513922029 /nfs/dbraw/zinc/92/20/29/513922029.db2.gz AINCSNMBRJJLLV-SFHVURJKSA-N -1 3 363.421 2.785 50 0 FFAAHM CO[C@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000426382845 513922034 /nfs/dbraw/zinc/92/20/34/513922034.db2.gz AINCSNMBRJJLLV-SFHVURJKSA-N -1 3 363.421 2.785 50 0 FFAAHM O=C(NCc1nnc(C(F)(F)F)[n-]1)c1ccc2cccc(Cl)c2n1 ZINC000426519231 513967918 /nfs/dbraw/zinc/96/79/18/513967918.db2.gz JHJZFBAZZHNBKS-UHFFFAOYSA-N -1 3 355.707 2.955 50 0 FFAAHM O=C(NCc1n[n-]c(C(F)(F)F)n1)c1ccc2cccc(Cl)c2n1 ZINC000426519231 513967924 /nfs/dbraw/zinc/96/79/24/513967924.db2.gz JHJZFBAZZHNBKS-UHFFFAOYSA-N -1 3 355.707 2.955 50 0 FFAAHM O=C(NCc1nc(C(F)(F)F)n[n-]1)c1ccc2cccc(Cl)c2n1 ZINC000426519231 513967932 /nfs/dbraw/zinc/96/79/32/513967932.db2.gz JHJZFBAZZHNBKS-UHFFFAOYSA-N -1 3 355.707 2.955 50 0 FFAAHM C[C@@]1(NC(=O)c2ccc(-c3cccc(F)c3[O-])cc2)CCS(=O)(=O)C1 ZINC000426716296 514022013 /nfs/dbraw/zinc/02/20/13/514022013.db2.gz ZTBHIOJCWSZHJI-GOSISDBHSA-N -1 3 363.410 2.505 50 0 FFAAHM Cc1nc(-c2cccc(C(=O)N3CC[C@H](N(C)C)C3)c2)c(Cl)c(=O)[n-]1 ZINC000584886980 518524129 /nfs/dbraw/zinc/52/41/29/518524129.db2.gz IUWOUZMIWNPNOO-AWEZNQCLSA-N -1 3 360.845 2.587 50 0 FFAAHM Cc1cc(C(=O)NCCCNC(=O)c2ccc([O-])cc2)c2ccccc2n1 ZINC000089582942 526266701 /nfs/dbraw/zinc/26/67/01/526266701.db2.gz PFMAOYYQNQYDHH-UHFFFAOYSA-N -1 3 363.417 2.799 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000046075572 570924092 /nfs/dbraw/zinc/92/40/92/570924092.db2.gz PXDQJWAXUPLVQK-LBPRGKRZSA-N -1 3 372.450 2.563 50 0 FFAAHM CN1OC[C@@H](S(=O)(=O)[N-]C2CCCCC2)[C@@H]1c1cccc(F)c1F ZINC000034739465 571147281 /nfs/dbraw/zinc/14/72/81/571147281.db2.gz QVZMMGOIBNMXQW-ZBFHGGJFSA-N -1 3 360.426 2.504 50 0 FFAAHM O=[N+]([O-])c1cc(S(=O)(=O)[N-]N=C2CCc3ccccc32)ccc1Cl ZINC000254873972 729627331 /nfs/dbraw/zinc/62/73/31/729627331.db2.gz VEKNRAJTIQBELW-UHFFFAOYSA-N -1 3 365.798 2.877 50 0 FFAAHM CCOC(=O)C(=C([O-])c1ccncc1)[C@H](C(=O)OCC)c1ccccc1 ZINC000003130213 204079999 /nfs/dbraw/zinc/07/99/99/204079999.db2.gz MGKGXPHYXFHGHM-IAGOWNOFSA-N -1 3 355.390 2.791 50 0 FFAAHM CC(C)CC1=C[C@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccccc2)N1 ZINC000004199218 204127712 /nfs/dbraw/zinc/12/77/12/204127712.db2.gz VAGALPHIFPIART-ZDUSSCGKSA-N -1 3 350.362 2.734 50 0 FFAAHM CCOC(=O)CC(=O)NC(C)(C)Cc1ccc([O-])c(Br)c1 ZINC000003622714 204109250 /nfs/dbraw/zinc/10/92/50/204109250.db2.gz QYOGFQWDUDODSY-UHFFFAOYSA-N -1 3 358.232 2.545 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2C)N1 ZINC000004725113 204159682 /nfs/dbraw/zinc/15/96/82/204159682.db2.gz XAYCNEOBPPJVNR-CYBMUJFWSA-N -1 3 350.724 2.886 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c(C)c1 ZINC000004270353 204129453 /nfs/dbraw/zinc/12/94/53/204129453.db2.gz VTIDQRQKYIXRFB-UHFFFAOYSA-N -1 3 356.447 2.940 50 0 FFAAHM O=C(Nc1cccc(Br)c1)c1c(=O)[nH]c2c(c1[O-])CCCC2 ZINC000005595905 204217090 /nfs/dbraw/zinc/21/70/90/204217090.db2.gz ZFZNJZNFXGTYRF-UHFFFAOYSA-N -1 3 363.211 2.974 50 0 FFAAHM O=C(Nc1ccccc1Br)c1c(=O)[nH]c2c(c1[O-])CCCC2 ZINC000005595945 204217246 /nfs/dbraw/zinc/21/72/46/204217246.db2.gz OUJURBLYHGEJNB-UHFFFAOYSA-N -1 3 363.211 2.974 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1 ZINC000005699282 204222526 /nfs/dbraw/zinc/22/25/26/204222526.db2.gz QXFISPCLZKLCOW-SECBINFHSA-N -1 3 374.249 2.694 50 0 FFAAHM Cc1nn([C@@H](C)C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)c(C)c1Cl ZINC000006526569 204252392 /nfs/dbraw/zinc/25/23/92/204252392.db2.gz BQLZOIDOZHVFDT-CABZTGNLSA-N -1 3 352.744 2.573 50 0 FFAAHM CC(C)Cn1c(=O)[n-]c(=O)c2c(C(F)(F)F)cc(-c3ccncc3)nc21 ZINC000008703930 204338724 /nfs/dbraw/zinc/33/87/24/204338724.db2.gz AFOXCPGXRVEALU-UHFFFAOYSA-N -1 3 364.327 2.822 50 0 FFAAHM NC(=O)c1cc([C@@]([O-])(c2nc3ccccc3s2)C(F)(F)F)sc1N ZINC000008941386 204350905 /nfs/dbraw/zinc/35/09/05/204350905.db2.gz IOJDQQLYCBDQPB-CYBMUJFWSA-N -1 3 373.381 2.837 50 0 FFAAHM O=C(CN1C(=O)S/C(=C/c2cc(Cl)ccc2[O-])C1=O)N1CCCC1 ZINC000009189627 204357080 /nfs/dbraw/zinc/35/70/80/204357080.db2.gz IJOLRJNUSYHLAK-MDWZMJQESA-N -1 3 366.826 2.704 50 0 FFAAHM O=C(Nc1ncccc1[O-])c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000009468942 204369572 /nfs/dbraw/zinc/36/95/72/204369572.db2.gz DTGRAOPJRKCZGQ-UHFFFAOYSA-N -1 3 372.384 2.798 50 0 FFAAHM Cc1ccccc1CNC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000009528478 204373435 /nfs/dbraw/zinc/37/34/35/204373435.db2.gz XAGISIFVUWEVBU-INIZCTEOSA-N -1 3 366.508 2.676 50 0 FFAAHM Cc1cccc(OCCCNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)c1 ZINC000010393836 204395576 /nfs/dbraw/zinc/39/55/76/204395576.db2.gz UEYOOTCGVGOWJM-UHFFFAOYSA-N -1 3 362.451 2.565 50 0 FFAAHM CC(C)c1ccc([C@H]2[C@@H](S(=O)(=O)[N-]Cc3ccco3)CON2C)cc1 ZINC000037553444 205027687 /nfs/dbraw/zinc/02/76/87/205027687.db2.gz APYCEQYKQURUTQ-ROUUACIJSA-N -1 3 364.467 2.809 50 0 FFAAHM COc1ccc(OC)c(-c2csc([N-]C(=O)c3cccc[n+]3[O-])n2)c1 ZINC000045016324 205116762 /nfs/dbraw/zinc/11/67/62/205116762.db2.gz YUYQRJWHWOVLDX-UHFFFAOYSA-N -1 3 357.391 2.713 50 0 FFAAHM COc1ccccc1-c1nc(NC(=O)c2ccc(NC(C)=O)cc2)n[n-]1 ZINC000052778690 205188063 /nfs/dbraw/zinc/18/80/63/205188063.db2.gz RGUPXSZFUIGDIH-UHFFFAOYSA-N -1 3 351.366 2.691 50 0 FFAAHM O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000053554147 205195479 /nfs/dbraw/zinc/19/54/79/205195479.db2.gz ZSUNBMFAMDYXHI-UHFFFAOYSA-N -1 3 370.359 2.971 50 0 FFAAHM O=C([N-]c1nc[nH]n1)c1oc2ccccc2c1CSc1ncccn1 ZINC000058265599 205267550 /nfs/dbraw/zinc/26/75/50/205267550.db2.gz YARSKTOTDPJPAZ-UHFFFAOYSA-N -1 3 352.379 2.886 50 0 FFAAHM CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)C1(C)C ZINC000058390697 205274092 /nfs/dbraw/zinc/27/40/92/205274092.db2.gz CWHMUZCUIQSSCY-WMZOPIPTSA-N -1 3 356.466 2.915 50 0 FFAAHM CN1CCCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1 ZINC000064588782 205301431 /nfs/dbraw/zinc/30/14/31/205301431.db2.gz QMLGRDYCYHOALV-UHFFFAOYSA-N -1 3 371.412 2.918 50 0 FFAAHM CCn1cc(C)c(C(=O)[O-])c1CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000064980705 205312954 /nfs/dbraw/zinc/31/29/54/205312954.db2.gz STOQXPAREFTJEA-UHFFFAOYSA-N -1 3 361.486 2.534 50 0 FFAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CC=C(c2ccc(O)cc2)CC1 ZINC000065770355 205361151 /nfs/dbraw/zinc/36/11/51/205361151.db2.gz PDAJBRCUANNGHJ-UHFFFAOYSA-N -1 3 363.373 2.597 50 0 FFAAHM Cc1ncc(C(=O)NCc2cccnc2Oc2c(C)cccc2C)c(=O)[n-]1 ZINC000067642622 205377531 /nfs/dbraw/zinc/37/75/31/205377531.db2.gz FLJNGPYQFGQQSF-UHFFFAOYSA-N -1 3 364.405 2.812 50 0 FFAAHM Cc1ccc2c(cc(C(=O)N3CCC[C@@H](c4cc(=O)[n-]c(C)n4)C3)n2C)c1 ZINC000095388149 205750100 /nfs/dbraw/zinc/75/01/00/205750100.db2.gz NTVJDVIUMQOUEE-OAHLLOKOSA-N -1 3 364.449 2.898 50 0 FFAAHM C[C@@H]1CN(C(=O)c2c[n-]c3ccc(Br)cc3c2=O)C[C@H](C)O1 ZINC000170600300 206271208 /nfs/dbraw/zinc/27/12/08/206271208.db2.gz LDPXLWFTYYEYRR-AOOOYVTPSA-N -1 3 365.227 2.952 50 0 FFAAHM Cc1cc(=O)[n-]c(CCNC(=O)c2ccccc2-c2ccccc2F)n1 ZINC000219309540 206382359 /nfs/dbraw/zinc/38/23/59/206382359.db2.gz FPXOPYQJQUEMGO-UHFFFAOYSA-N -1 3 351.381 2.857 50 0 FFAAHM O=C(Cc1csc(NC(=O)c2cccs2)n1)Nc1ncccc1[O-] ZINC000022263951 220381131 /nfs/dbraw/zinc/38/11/31/220381131.db2.gz KGBXRYCFHOUVHR-UHFFFAOYSA-N -1 3 360.420 2.739 50 0 FFAAHM O=C(c1c[n-]c2ccc(F)cc2c1=O)N1CCN(c2ccccc2)CC1 ZINC000044901608 136121827 /nfs/dbraw/zinc/12/18/27/136121827.db2.gz BBAABYHABWCFFG-UHFFFAOYSA-N -1 3 351.381 2.630 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1 ZINC000064590065 136133515 /nfs/dbraw/zinc/13/35/15/136133515.db2.gz RKVQPLGSGGKPDV-UHFFFAOYSA-N -1 3 353.422 2.779 50 0 FFAAHM CC(C)(C)OC(=O)N1CCC(C[N-]S(=O)(=O)c2cccs2)CC1 ZINC000001030021 263142177 /nfs/dbraw/zinc/14/21/77/263142177.db2.gz LVNAARYQPOPHOO-UHFFFAOYSA-N -1 3 360.501 2.674 50 0 FFAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2ccc(OC)c(OC)c2)N1 ZINC000000793128 506231846 /nfs/dbraw/zinc/23/18/46/506231846.db2.gz NWFVUVDGQNKTET-HNNXBMFYSA-N -1 3 360.332 2.957 50 0 FFAAHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1cccs1 ZINC000032825790 506300766 /nfs/dbraw/zinc/30/07/66/506300766.db2.gz ZMCJJJDLAHJWGL-UHFFFAOYSA-N -1 3 352.359 2.563 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3cc(C)ccc3C)cc21 ZINC000006778691 506505006 /nfs/dbraw/zinc/50/50/06/506505006.db2.gz UOUJSADIWUMPRE-UHFFFAOYSA-N -1 3 360.435 2.850 50 0 FFAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2C1=O ZINC000009828209 506711892 /nfs/dbraw/zinc/71/18/92/506711892.db2.gz SVPCFTXBTCHPCQ-UHFFFAOYSA-N -1 3 374.462 2.959 50 0 FFAAHM CCOc1ccc(CN(C)C(=O)CCc2c(C)[nH]c(=S)[n-]c2=O)cc1 ZINC000011238996 506769509 /nfs/dbraw/zinc/76/95/09/506769509.db2.gz OANNZBRUXIUTGO-UHFFFAOYSA-N -1 3 361.467 2.731 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)NCCc1cccc(Cl)c1 ZINC000011515233 506778368 /nfs/dbraw/zinc/77/83/68/506778368.db2.gz KTPNKJJWHGFGKZ-UHFFFAOYSA-N -1 3 351.859 2.686 50 0 FFAAHM C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc4n[n-]nc4c3)n2)C1 ZINC000012532088 506871710 /nfs/dbraw/zinc/87/17/10/506871710.db2.gz GCECVHOASICNIS-NSHDSACASA-N -1 3 356.455 2.899 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)Nc1ccc(F)c(Cl)c1 ZINC000012794938 506901408 /nfs/dbraw/zinc/90/14/08/506901408.db2.gz SELPSXLJZFZVSC-SECBINFHSA-N -1 3 374.796 2.924 50 0 FFAAHM O=C(CC1CCCCC1)NCc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000013731007 506955438 /nfs/dbraw/zinc/95/54/38/506955438.db2.gz LGFSFNSSURXPAW-UHFFFAOYSA-N -1 3 365.437 2.695 50 0 FFAAHM CSC1=NC(=O)C([C@@H]2NCCc3c4cc(Cl)ccc4[nH]c32)C([O-])=N1 ZINC000020621982 507230014 /nfs/dbraw/zinc/23/00/14/507230014.db2.gz LNZRZJJPIWOBLJ-ZDUSSCGKSA-N -1 3 362.842 2.567 50 0 biogenic FFAAHM COCCN(CCOC)Cc1nc(=O)c2cc(-c3ccccc3)sc2[n-]1 ZINC000026228196 507569702 /nfs/dbraw/zinc/56/97/02/507569702.db2.gz YTIHORMBSDUVFM-UHFFFAOYSA-N -1 3 373.478 2.746 50 0 FFAAHM Cc1c(F)cccc1CN1CCC2(C[C@@H](C(=O)[O-])N(C(=O)C3CC3)C2)CC1 ZINC000072470831 507795105 /nfs/dbraw/zinc/79/51/05/507795105.db2.gz XXSPWEHCFROLKZ-SFHVURJKSA-N -1 3 374.456 2.812 50 0 FFAAHM CCOc1ccccc1[C@H](C(=O)[O-])N1CCC(C(=O)N2CCCC2)CC1 ZINC000095372838 508179142 /nfs/dbraw/zinc/17/91/42/508179142.db2.gz NZQZVWVHRXSQLV-GOSISDBHSA-N -1 3 360.454 2.545 50 0 FFAAHM Cc1ccc([C@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)c(F)c1 ZINC000095377789 508179676 /nfs/dbraw/zinc/17/96/76/508179676.db2.gz OHNBHGTZQMEJHK-LJQANCHMSA-N -1 3 357.429 2.863 50 0 FFAAHM CCOc1ccc2ccccc2c1[C@@H](C(=O)[O-])N1CCN(CCOC)CC1 ZINC000095376453 508179744 /nfs/dbraw/zinc/17/97/44/508179744.db2.gz IFKUVVVLIKFMOR-FQEVSTJZSA-N -1 3 372.465 2.628 50 0 FFAAHM COc1cc(C)c([C@H](C(=O)[O-])N2CCN(Cc3ccccn3)CC2)c(C)c1 ZINC000095384495 508181985 /nfs/dbraw/zinc/18/19/85/508181985.db2.gz DDRHVZZWYQPPMD-HXUWFJFHSA-N -1 3 369.465 2.651 50 0 FFAAHM CN1C(=O)C[C@H](C(=O)[O-])C12CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000095384461 508182334 /nfs/dbraw/zinc/18/23/34/508182334.db2.gz VOZGKLMMWZAOGE-CQSZACIVSA-N -1 3 370.371 2.603 50 0 FFAAHM O=C([O-])[C@@H](c1ccc2c(c1)OCO2)N1CCC(OCc2cccnc2)CC1 ZINC000095392971 508184468 /nfs/dbraw/zinc/18/44/68/508184468.db2.gz LLDHMKFKCIGTBQ-LJQANCHMSA-N -1 3 370.405 2.617 50 0 FFAAHM COC(=O)C[C@@H](c1c(Cl)nc2sccn21)c1oc(C)cc(=O)c1[O-] ZINC000095479169 508188986 /nfs/dbraw/zinc/18/89/86/508188986.db2.gz BJFVVLSLNKHCHP-QMMMGPOBSA-N -1 3 368.798 2.711 50 0 FFAAHM Cc1cccc([C@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c1F ZINC000095503447 508191273 /nfs/dbraw/zinc/19/12/73/508191273.db2.gz YCQXYFMYRAYYEK-LJQANCHMSA-N -1 3 357.429 2.863 50 0 FFAAHM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CC[C@@H](OC)C3)cc2)c1 ZINC000096122364 508206954 /nfs/dbraw/zinc/20/69/54/508206954.db2.gz FYNXJHOVXCUJDF-QGZVFWFLSA-N -1 3 362.451 2.721 50 0 FFAAHM Cc1ccc(NCc2cc(=O)n3nc(NCc4ccccc4)[n-]c3n2)cc1 ZINC000101795785 508257397 /nfs/dbraw/zinc/25/73/97/508257397.db2.gz SAVGJIWFBUAVGC-UHFFFAOYSA-N -1 3 360.421 2.950 50 0 FFAAHM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(Cc3cccc(O)c3)CC2)n1 ZINC000077299354 508296908 /nfs/dbraw/zinc/29/69/08/508296908.db2.gz CAYIXMNBZLSVFZ-UHFFFAOYSA-N -1 3 357.454 2.962 50 0 FFAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@@H]1CCn1cccn1 ZINC000077318868 508299626 /nfs/dbraw/zinc/29/96/26/508299626.db2.gz AJBBRMMMVWPUAU-OAHLLOKOSA-N -1 3 350.422 2.810 50 0 FFAAHM CCCCN1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000236761334 509497987 /nfs/dbraw/zinc/49/79/87/509497987.db2.gz MNDXGKJHVSHENY-UHFFFAOYSA-N -1 3 374.890 2.581 50 0 FFAAHM Cc1nc([C@H]2C[C@H](NC(=O)c3c(C)c(Cl)c(C)[nH]c3=O)C2)cc(=O)[n-]1 ZINC000253535428 509886173 /nfs/dbraw/zinc/88/61/73/509886173.db2.gz YCTIQRQEEBXXGS-XYPYZODXSA-N -1 3 362.817 2.537 50 0 FFAAHM O=C(Nc1ccc([N-]S(=O)(=O)Cc2c(F)cccc2F)cn1)C1CC1 ZINC000194568645 510426941 /nfs/dbraw/zinc/42/69/41/510426941.db2.gz OLDZJNVTAAAFEL-UHFFFAOYSA-N -1 3 367.377 2.650 50 0 FFAAHM CC(C)Cc1cc(C(=O)N2Cc3cnc(C(C)(C)C)nc3C2)[n-]c(=O)n1 ZINC000299771554 511674723 /nfs/dbraw/zinc/67/47/23/511674723.db2.gz UBSHCAKCJIXLMA-UHFFFAOYSA-N -1 3 355.442 2.624 50 0 FFAAHM Cc1nc(C)c(CC(=O)NCc2nc3ccccc3n2C(C)C)c(=O)[n-]1 ZINC000299774433 511676191 /nfs/dbraw/zinc/67/61/91/511676191.db2.gz HCJCGNIFMAADTO-UHFFFAOYSA-N -1 3 353.426 2.589 50 0 FFAAHM CC(C)Cc1cc(C(=O)NCCCc2nc3ccccc3o2)[n-]c(=O)n1 ZINC000299797082 511684299 /nfs/dbraw/zinc/68/42/99/511684299.db2.gz ORDOSDOIABTWNI-UHFFFAOYSA-N -1 3 354.410 2.885 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1c[nH]nc1C1CCCCC1)CC2 ZINC000426740361 514029774 /nfs/dbraw/zinc/02/97/74/514029774.db2.gz DSBVNVIBPIPMRV-UHFFFAOYSA-N -1 3 355.442 2.502 50 0 FFAAHM COc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3OC)C2)c([O-])c1 ZINC000083927858 523710422 /nfs/dbraw/zinc/71/04/22/523710422.db2.gz VSUDGGPMZMMLJC-CQSZACIVSA-N -1 3 356.422 2.666 50 0 FFAAHM COc1ccccc1[C@H](C[N-]S(=O)(=O)Cc1cc(F)ccc1F)OC ZINC000096385052 209889032 /nfs/dbraw/zinc/88/90/32/209889032.db2.gz SZAUSMGOEQFXEQ-KRWDZBQOSA-N -1 3 371.405 2.781 50 0 FFAAHM CN(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2[O-])c1 ZINC000001074564 219364994 /nfs/dbraw/zinc/36/49/94/219364994.db2.gz MLQRPLLANXCIDR-UHFFFAOYSA-N -1 3 354.815 2.548 50 0 FFAAHM O=C([O-])[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1ccco1 ZINC000004304359 207012996 /nfs/dbraw/zinc/01/29/96/207012996.db2.gz QBVFPPZJKYXGGZ-ZDUSSCGKSA-N -1 3 356.300 2.870 50 0 FFAAHM COc1ccccc1-n1nnc(C(=O)[N-]c2nnc(C(C)C)s2)c1C ZINC000004938678 207064393 /nfs/dbraw/zinc/06/43/93/207064393.db2.gz KIZDJZJVLKZPFY-UHFFFAOYSA-N -1 3 358.427 2.812 50 0 FFAAHM CC[C@@H](C(=O)N1NC(C)=C[C@]1([O-])C(F)(F)F)n1nc(C)c(Cl)c1C ZINC000006554839 207145946 /nfs/dbraw/zinc/14/59/46/207145946.db2.gz UKKMRRXBOJICHU-GWCFXTLKSA-N -1 3 366.771 2.964 50 0 FFAAHM CC(C)n1cnnc1S[C@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007025787 207184819 /nfs/dbraw/zinc/18/48/19/207184819.db2.gz MCASIPSGKWBQRU-LLVKDONJSA-N -1 3 368.484 2.594 50 0 FFAAHM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cnnn3)cc2)cc1 ZINC000007051841 207185247 /nfs/dbraw/zinc/18/52/47/207185247.db2.gz LZORMIJZQXRTFA-ZDUSSCGKSA-N -1 3 357.439 2.977 50 0 FFAAHM O=c1[n-]c(SCc2cccc3ccccc32)nc2c1cnn2CCO ZINC000007418080 207195513 /nfs/dbraw/zinc/19/55/13/207195513.db2.gz VTTJCWGIEZHRRS-UHFFFAOYSA-N -1 3 352.419 2.557 50 0 FFAAHM C[C@@H](Sc1n[n-]c([C@@H]2CCCO2)n1)C(=O)Nc1ccc(Cl)cn1 ZINC000008940244 207252862 /nfs/dbraw/zinc/25/28/62/207252862.db2.gz HJGKRUNNNJKCRN-SCZZXKLOSA-N -1 3 353.835 2.824 50 0 FFAAHM Cc1ccc(NC2=N[C@H](C(=O)Nc3ccccc3Cl)C=C([O-])N2)cc1 ZINC000009192447 207261234 /nfs/dbraw/zinc/26/12/34/207261234.db2.gz RFLJVGVEDLNCAO-HNNXBMFYSA-N -1 3 356.813 2.944 50 0 FFAAHM COc1ccc(C(=O)[N-]C(=O)CN2CCC[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009451322 207271667 /nfs/dbraw/zinc/27/16/67/207271667.db2.gz CZAYPOUQXLNATA-LJQANCHMSA-N -1 3 368.433 2.797 50 0 FFAAHM O=C([O-])c1ccc(-n2cc(CNC[C@@H]3COCCO3)c3ccccc32)s1 ZINC000009741030 207285110 /nfs/dbraw/zinc/28/51/10/207285110.db2.gz HWOLGNZFQBNMPP-CQSZACIVSA-N -1 3 372.446 2.895 50 0 FFAAHM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013320384 207457023 /nfs/dbraw/zinc/45/70/23/207457023.db2.gz RWTFGPBWNHEDSV-WXDAQCLHSA-N -1 3 370.493 2.904 50 0 FFAAHM COc1ccccc1CN1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000032865324 208051234 /nfs/dbraw/zinc/05/12/34/208051234.db2.gz SFRBBKBRXXFXAM-UHFFFAOYSA-N -1 3 366.508 2.700 50 0 FFAAHM COCC[N-]S(=O)(=O)c1cc(-c2nc(CC(C)C)cs2)cs1 ZINC000033297744 208083556 /nfs/dbraw/zinc/08/35/56/208083556.db2.gz BTQZGYPHMIQYLR-UHFFFAOYSA-N -1 3 360.526 2.995 50 0 FFAAHM C[C@@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000045797083 208337054 /nfs/dbraw/zinc/33/70/54/208337054.db2.gz SQGVEWGOGCQTDK-ZWNOBZJWSA-N -1 3 365.904 2.601 50 0 FFAAHM COc1ccc(C(=O)N2CCC(NC(=O)OC(C)(C)C)CC2)c([O-])c1 ZINC000047555086 208381730 /nfs/dbraw/zinc/38/17/30/208381730.db2.gz PVYCCLNKOYPGSG-UHFFFAOYSA-N -1 3 350.415 2.530 50 0 FFAAHM COc1cccc([C@H](C[N-]S(=O)(=O)c2ccc(F)c(F)c2)N(C)C)c1 ZINC000047032841 208372376 /nfs/dbraw/zinc/37/23/76/208372376.db2.gz QJPXHGFXTCBAKE-KRWDZBQOSA-N -1 3 370.421 2.555 50 0 FFAAHM Cc1ccc([O-])c(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)c1 ZINC000063316273 208608048 /nfs/dbraw/zinc/60/80/48/208608048.db2.gz YIDCQUSJHMPSKR-KRWDZBQOSA-N -1 3 368.433 2.539 50 0 FFAAHM CCN1CC2(CCC1=O)CCN(Cc1ccccc1O[C@H](C)C(=O)[O-])CC2 ZINC000092028096 209012466 /nfs/dbraw/zinc/01/24/66/209012466.db2.gz IYZHSWDUUOZHLX-MRXNPFEDSA-N -1 3 374.481 2.763 50 0 FFAAHM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCCN(Cc2cccnc2)CC1 ZINC000095388243 209046503 /nfs/dbraw/zinc/04/65/03/209046503.db2.gz LARBRSUJDYNUIZ-HXUWFJFHSA-N -1 3 369.465 2.732 50 0 FFAAHM O=S(=O)([N-]c1ccncc1I)c1cccs1 ZINC000095413662 209049883 /nfs/dbraw/zinc/04/98/83/209049883.db2.gz GTFMEGZKTHAJGS-UHFFFAOYSA-N -1 3 366.205 2.549 50 0 FFAAHM COc1cc([C@@H]2N[C@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(OC)c1O ZINC000000754304 506229743 /nfs/dbraw/zinc/22/97/43/506229743.db2.gz SDMYZAFOXJKZSN-YOEHRIQHSA-N -1 3 368.389 2.579 50 0 biogenic FFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000000793135 506232267 /nfs/dbraw/zinc/23/22/67/506232267.db2.gz YCCYQWKGDHBUFB-BDJLRTHQSA-N -1 3 372.343 2.957 50 0 FFAAHM Cc1ccc(S(=O)(=O)[C@@H]([N-]C(=O)CF)C(Cl)(Cl)Cl)cc1 ZINC000000820615 506234845 /nfs/dbraw/zinc/23/48/45/506234845.db2.gz REUJKBFELXQEDZ-SNVBAGLBSA-N -1 3 362.637 2.551 50 0 FFAAHM O=C([N-]N1C(=O)c2cccc3c(Cl)ccc(c32)C1=O)c1ccncc1 ZINC000000988090 506242627 /nfs/dbraw/zinc/24/26/27/506242627.db2.gz GHVUNWPGWREUEE-UHFFFAOYSA-N -1 3 351.749 2.829 50 0 FFAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000001406567 506260520 /nfs/dbraw/zinc/26/05/20/506260520.db2.gz UOIWGJQFFMKHKC-JJRVBVJISA-N -1 3 364.323 2.791 50 0 FFAAHM CCCCNC(=O)Nc1ccc([C@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002050173 506270206 /nfs/dbraw/zinc/27/02/06/506270206.db2.gz RHJNDRLTRJJMQL-HNNXBMFYSA-N -1 3 362.348 2.921 50 0 FFAAHM CCOC(=O)N[C@@]([N-]c1cccc(F)c1)(C(=O)OCC)C(F)(F)F ZINC000002274094 506275412 /nfs/dbraw/zinc/27/54/12/506275412.db2.gz ZZQYLXCYWKFLCJ-ZDUSSCGKSA-N -1 3 352.284 2.805 50 0 FFAAHM CCC(=O)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000002706962 506287585 /nfs/dbraw/zinc/28/75/85/506287585.db2.gz XGTQVHHDIFJERF-JTQLQIEISA-N -1 3 370.689 2.901 50 0 FFAAHM CSCc1noc(-c2nc3c([n-]2)C[C@H](c2ccc(F)cc2)CNC3=O)n1 ZINC000065434726 506298610 /nfs/dbraw/zinc/29/86/10/506298610.db2.gz UAFOXQFHDNBYSY-JTQLQIEISA-N -1 3 373.413 2.532 50 0 FFAAHM CSCc1noc(-c2nc3c([n-]2)C(=O)NC[C@@H](c2ccc(F)cc2)C3)n1 ZINC000065434726 506298621 /nfs/dbraw/zinc/29/86/21/506298621.db2.gz UAFOXQFHDNBYSY-JTQLQIEISA-N -1 3 373.413 2.532 50 0 FFAAHM Cc1occc1C(=O)N1CCN(C(=O)c2cc3c(cc2[O-])CCCC3)CC1 ZINC000065618875 506334955 /nfs/dbraw/zinc/33/49/55/506334955.db2.gz PETIMMZIGFJACZ-UHFFFAOYSA-N -1 3 368.433 2.771 50 0 FFAAHM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2Cl)cc1 ZINC000065833593 506375948 /nfs/dbraw/zinc/37/59/48/506375948.db2.gz CXXVUDHHUBUCEB-UHFFFAOYSA-N -1 3 355.799 2.936 50 0 FFAAHM COC(=O)c1c2c(sc1[N-]C(=O)c1ccno1)C(C)(C)NC(C)(C)C2 ZINC000012443804 506865995 /nfs/dbraw/zinc/86/59/95/506865995.db2.gz GSJDPBUWKSPIAX-UHFFFAOYSA-N -1 3 363.439 2.934 50 0 FFAAHM COc1cc(OC)c(NC(=O)CCc2c(C)nc(C)[n-]c2=O)cc1Cl ZINC000012745240 506894328 /nfs/dbraw/zinc/89/43/28/506894328.db2.gz LBXXARYBESBNMU-UHFFFAOYSA-N -1 3 365.817 2.629 50 0 FFAAHM CC(C)NC(=O)CN(C)[C@@H](C)c1nc(=O)c2c(-c3ccco3)csc2[n-]1 ZINC000014121636 506967524 /nfs/dbraw/zinc/96/75/24/506967524.db2.gz MZOAXMCKKKMVAL-NSHDSACASA-N -1 3 374.466 2.762 50 0 FFAAHM Cc1ncc(CO)c(CN2CCN(c3nsc4ccccc43)CC2)c1[O-] ZINC000067868044 507032240 /nfs/dbraw/zinc/03/22/40/507032240.db2.gz HJKTZUUJXZMSBR-UHFFFAOYSA-N -1 3 370.478 2.520 50 0 FFAAHM CCc1nc2sc([C@H](c3cccc(C)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855191 507316152 /nfs/dbraw/zinc/31/61/52/507316152.db2.gz XENZXUJNDPCAJE-INIZCTEOSA-N -1 3 372.494 2.913 50 0 FFAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1ccc(F)cc1F ZINC000057765938 507324581 /nfs/dbraw/zinc/32/45/81/507324581.db2.gz KHSUTINLGDHOAJ-UHFFFAOYSA-N -1 3 351.378 2.683 50 0 FFAAHM O=S(=O)([N-]CC1CCN(Cc2ccco2)CC1)c1cc(F)ccc1F ZINC000023127665 507331764 /nfs/dbraw/zinc/33/17/64/507331764.db2.gz GLOPVKSPSZELBS-UHFFFAOYSA-N -1 3 370.421 2.748 50 0 FFAAHM Cc1nc([N-]C(=O)c2nc3nccc(C)n3n2)sc1-c1ccccn1 ZINC000024031696 507384807 /nfs/dbraw/zinc/38/48/07/507384807.db2.gz VOMHWXUCTVVDQF-UHFFFAOYSA-N -1 3 351.395 2.512 50 0 FFAAHM COc1ccccc1N1CC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000058225095 507389815 /nfs/dbraw/zinc/38/98/15/507389815.db2.gz MAZBCMUUGSBNCW-CYBMUJFWSA-N -1 3 352.481 2.562 50 0 FFAAHM COc1ccc(C(=O)N2CCC(NC(=O)C3CCCCC3)CC2)c([O-])c1 ZINC000058305428 507402593 /nfs/dbraw/zinc/40/25/93/507402593.db2.gz ICDMZCNJVHOTQB-UHFFFAOYSA-N -1 3 360.454 2.702 50 0 FFAAHM O=C(NCCNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl)c1ccc([O-])cc1 ZINC000058377501 507411715 /nfs/dbraw/zinc/41/17/15/507411715.db2.gz XHXVHXJGMVHXFX-JKSUJKDBSA-N -1 3 358.825 2.695 50 0 FFAAHM COc1cc(C(=O)Nc2ccccc2[N-]S(C)(=O)=O)cc(OC)c1C ZINC000024884794 507445642 /nfs/dbraw/zinc/44/56/42/507445642.db2.gz UEPLKPIMUIASQM-UHFFFAOYSA-N -1 3 364.423 2.636 50 0 FFAAHM CCOC(=O)C[C@H](c1ccc(F)cc1Cl)c1oc(CO)cc(=O)c1[O-] ZINC000071282740 507700998 /nfs/dbraw/zinc/70/09/98/507700998.db2.gz SMBCYDNBVMCPHW-GFCCVEGCSA-N -1 3 370.760 2.715 50 0 FFAAHM CC(C)(Oc1cccc2ccccc21)C(=O)N1CCc2c(nc[n-]c2=O)C1 ZINC000071753202 507712679 /nfs/dbraw/zinc/71/26/79/507712679.db2.gz VPRGSBLIVXVUFA-UHFFFAOYSA-N -1 3 363.417 2.665 50 0 FFAAHM COc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1Cl ZINC000028228238 507714564 /nfs/dbraw/zinc/71/45/64/507714564.db2.gz SKIQZLPOKVOQCA-ZDUSSCGKSA-N -1 3 352.774 2.513 50 0 FFAAHM CCC1CCC(N(C(=O)C[N-]S(=O)(=O)c2cccs2)C2CC2)CC1 ZINC000071839364 507720248 /nfs/dbraw/zinc/72/02/48/507720248.db2.gz HCTKXGPSJUZCKR-UHFFFAOYSA-N -1 3 370.540 2.986 50 0 FFAAHM Cc1cccc(OC[C@H]2CCCN(C(=O)Cc3c(C)nc(C)[n-]c3=O)C2)c1 ZINC000072429606 507789677 /nfs/dbraw/zinc/78/96/77/507789677.db2.gz SMQYOXODMXDAIS-KRWDZBQOSA-N -1 3 369.465 2.555 50 0 FFAAHM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(C/C=C/c1ccccc1)CC2 ZINC000091526372 507991236 /nfs/dbraw/zinc/99/12/36/507991236.db2.gz CWXMDGBBTPNGCE-JZLODUJNSA-N -1 3 356.466 2.878 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000077285666 508295169 /nfs/dbraw/zinc/29/51/69/508295169.db2.gz NGEFLHWAORGCDZ-MRXNPFEDSA-N -1 3 360.377 2.985 50 0 FFAAHM Cc1nc(C)c(CC(=O)N2CCC(Cc3ccc(F)cc3)CC2)c(=O)[n-]1 ZINC000077453226 508318616 /nfs/dbraw/zinc/31/86/16/508318616.db2.gz RZVCQPICAFWODI-UHFFFAOYSA-N -1 3 357.429 2.550 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(Cc1cnc(C3CCCCC3)nc1)CC2 ZINC000215276761 509247305 /nfs/dbraw/zinc/24/73/05/509247305.db2.gz LZGCAFRWFADCIM-UHFFFAOYSA-N -1 3 353.470 2.517 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]CC[C@@H](O)c1cccc(Cl)c1 ZINC000225611637 509380752 /nfs/dbraw/zinc/38/07/52/509380752.db2.gz AIBRPLRRHQDKCY-CQSZACIVSA-N -1 3 373.833 2.890 50 0 FFAAHM O=C(c1ccccc1CCc1ccccc1)N1CCc2nc[n-]c(=O)c2C1 ZINC000170686009 509721186 /nfs/dbraw/zinc/72/11/86/509721186.db2.gz ZDAWQQDBWBOIFR-UHFFFAOYSA-N -1 3 359.429 2.754 50 0 FFAAHM C[C@@H]1CCCCN1C1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])C1 ZINC000252499377 509843996 /nfs/dbraw/zinc/84/39/96/509843996.db2.gz RZSWMPNOQUUTEK-CYBMUJFWSA-N -1 3 352.862 2.862 50 0 FFAAHM CN1CCN(c2nc(CSc3nc4ccccc4s3)cc(=O)[n-]2)CC1 ZINC000009058971 523927765 /nfs/dbraw/zinc/92/77/65/523927765.db2.gz VEGLTXOJOURBOI-UHFFFAOYSA-N -1 3 373.507 2.836 50 0 FFAAHM Cc1cccc(CSc2nc3c(nc[n-]c3=O)n2C[C@H]2CCCO2)c1 ZINC000020408114 524463130 /nfs/dbraw/zinc/46/31/30/524463130.db2.gz CDRHKQQSPXPARY-CQSZACIVSA-N -1 3 356.451 2.899 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccccc1OC(F)(F)F ZINC000010757548 526555043 /nfs/dbraw/zinc/55/50/43/526555043.db2.gz ISUWSMMWPCIMEO-UHFFFAOYSA-N -1 3 350.318 2.669 50 0 FFAAHM CCc1cc2c(ncnc2N2CCN(C(=O)c3ccccc3[O-])CC2)s1 ZINC000059386909 536159347 /nfs/dbraw/zinc/15/93/47/536159347.db2.gz JNFPFAVLCNGSNZ-UHFFFAOYSA-N -1 3 368.462 2.922 50 0 FFAAHM Cc1nc([C@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)cc(=O)[n-]1 ZINC000072146079 571173480 /nfs/dbraw/zinc/17/34/80/571173480.db2.gz KYIDRQDAGXULIE-HNNXBMFYSA-N -1 3 351.410 2.508 50 0 FFAAHM CC(C)Cc1cc(C(=O)N[C@H]2CCCN(Cc3cccs3)C2)[n-]c(=O)n1 ZINC000670444632 571349904 /nfs/dbraw/zinc/34/99/04/571349904.db2.gz OKSFSRDTCHKVTE-AWEZNQCLSA-N -1 3 374.510 2.837 50 0 FFAAHM O=C(CCc1nc2cc(F)ccc2[nH]1)Nc1ccc(Oc2nnn[n-]2)cc1 ZINC000828054211 999552361 /nfs/dbraw/zinc/55/23/61/999552361.db2.gz WHXNKVYQPDGJEC-UHFFFAOYSA-N -1 3 367.344 2.579 50 0 FFAAHM O=C([O-])C1CCC(NC(=O)[C@@H]2CCCN(Cc3cccc(F)c3)C2)CC1 ZINC000238012029 209358422 /nfs/dbraw/zinc/35/84/22/209358422.db2.gz PUCCLOKNBXLVAI-UPTPFMHGSA-N -1 3 362.445 2.797 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1C(=O)NC(C)C ZINC000013681949 220084766 /nfs/dbraw/zinc/08/47/66/220084766.db2.gz UUFOMHXGQDWDEV-UHFFFAOYSA-N -1 3 366.414 2.773 50 0 FFAAHM Cn1cc(C(=O)[N-]c2c(F)c(F)c(Br)c(F)c2F)cn1 ZINC000002778819 206933255 /nfs/dbraw/zinc/93/32/55/206933255.db2.gz YXRFWQIZBCCOTI-UHFFFAOYSA-N -1 3 352.085 2.991 50 0 FFAAHM CCOC(=O)C1C(C)=NC(=S)N[C@@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000005906121 207121837 /nfs/dbraw/zinc/12/18/37/207121837.db2.gz QSSOLBGDXTZHNR-CYBMUJFWSA-N -1 3 370.858 2.800 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1c(F)cccc1F)c1ccc2c(c1)OCCO2 ZINC000008225308 207224345 /nfs/dbraw/zinc/22/43/45/207224345.db2.gz ZQVMMQZVQGGKBB-JTQLQIEISA-N -1 3 355.362 2.776 50 0 FFAAHM CCC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1ccco1 ZINC000009060535 207257066 /nfs/dbraw/zinc/25/70/66/207257066.db2.gz GVBDRLZYQIACCR-OAHLLOKOSA-N -1 3 361.423 2.739 50 0 FFAAHM Cc1c(Cl)cccc1NC(=O)[C@@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192433 207260469 /nfs/dbraw/zinc/26/04/69/207260469.db2.gz PRPSHXFXJDDVHV-HNNXBMFYSA-N -1 3 356.813 2.944 50 0 FFAAHM Cc1ccc([C@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC000010090415 207295336 /nfs/dbraw/zinc/29/53/36/207295336.db2.gz UGRSBUSVPFFMOZ-INIZCTEOSA-N -1 3 354.422 2.854 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 ZINC000010897084 207307379 /nfs/dbraw/zinc/30/73/79/207307379.db2.gz IIPWZDUJMZZEQL-UHFFFAOYSA-N -1 3 358.463 2.910 50 0 FFAAHM COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011713820 207319518 /nfs/dbraw/zinc/31/95/18/207319518.db2.gz UYHLSPNVELLPTC-CYBMUJFWSA-N -1 3 362.451 2.866 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)[C@H]1Cc2cc(Cl)ccc2O1 ZINC000024891536 207879807 /nfs/dbraw/zinc/87/98/07/207879807.db2.gz ZPCLRLPHIULXPE-OAHLLOKOSA-N -1 3 366.826 2.654 50 0 FFAAHM O=S(=O)([N-]C1CCN(Cc2cccc(F)c2)CC1)c1cccs1 ZINC000032865314 208051143 /nfs/dbraw/zinc/05/11/43/208051143.db2.gz WACJDLVQDIBTJU-UHFFFAOYSA-N -1 3 354.472 2.830 50 0 FFAAHM O=C(CCCn1nnc2ccccc2c1=O)Nc1cc(Cl)ccc1[O-] ZINC000032073920 208024355 /nfs/dbraw/zinc/02/43/55/208024355.db2.gz QKWPBXMNAVKGMC-UHFFFAOYSA-N -1 3 358.785 2.569 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(-c2noc(-c3ccc4c(c3)OCO4)n2)cc1 ZINC000033276293 208081258 /nfs/dbraw/zinc/08/12/58/208081258.db2.gz DXFLQDRYKGNCLQ-UHFFFAOYSA-N -1 3 359.363 2.504 50 0 FFAAHM O=S(=O)([N-]C[C@](O)(c1ccccc1)C1CC1)c1ccc(Cl)s1 ZINC000070967793 208177422 /nfs/dbraw/zinc/17/74/22/208177422.db2.gz UDGVEBZPWOFCCI-HNNXBMFYSA-N -1 3 357.884 2.978 50 0 FFAAHM CC(C)c1ccc([C@@H]2[C@@H](S(=O)(=O)[N-]Cc3ccco3)CON2C)cc1 ZINC000037553443 208183070 /nfs/dbraw/zinc/18/30/70/208183070.db2.gz APYCEQYKQURUTQ-ZWKOTPCHSA-N -1 3 364.467 2.809 50 0 FFAAHM Cc1ccc(-c2ncc(C(=O)NC[C@@H](c3ccco3)N(C)C)c(=O)[n-]2)cc1 ZINC000091951097 209007055 /nfs/dbraw/zinc/00/70/55/209007055.db2.gz HAHZZLJMZUKSOS-INIZCTEOSA-N -1 3 366.421 2.783 50 0 FFAAHM Cc1ccc2c(cc(C(=O)N3CCC[C@H](c4cc(=O)[n-]c(C)n4)C3)n2C)c1 ZINC000095388148 209046287 /nfs/dbraw/zinc/04/62/87/209046287.db2.gz NTVJDVIUMQOUEE-HNNXBMFYSA-N -1 3 364.449 2.898 50 0 FFAAHM Cc1nc(C2CCN(C(=O)[C@H]3Cc4ccccc4S3)CC2)cc(=O)[n-]1 ZINC000095384439 209041578 /nfs/dbraw/zinc/04/15/78/209041578.db2.gz JUYLKRDQVCTFRC-QGZVFWFLSA-N -1 3 355.463 2.501 50 0 FFAAHM COC(=O)C[C@H](c1cc2c(c(Cl)c1)OCO2)c1oc(C)cc(=O)c1[O-] ZINC000095475385 209056888 /nfs/dbraw/zinc/05/68/88/209056888.db2.gz CQFQINVFTJPNSL-SNVBAGLBSA-N -1 3 366.753 2.731 50 0 FFAAHM CC(C)n1ccnc1CNc1nc2c(c(=O)[n-]1)Cc1ccccc1OC2 ZINC000095505208 209065788 /nfs/dbraw/zinc/06/57/88/209065788.db2.gz TYQQOMGWPVMCMI-UHFFFAOYSA-N -1 3 351.410 2.643 50 0 FFAAHM CCOc1ccccc1N1CCN(C(=O)Nc2cccc3n[n-]nc32)CC1 ZINC000299792053 132300232 /nfs/dbraw/zinc/30/02/32/132300232.db2.gz FFPQPMPHSNJWIG-UHFFFAOYSA-N -1 3 366.425 2.711 50 0 FFAAHM C[C@]1(NC(=O)c2ccc(-c3cccc(F)c3[O-])cc2)CCS(=O)(=O)C1 ZINC000426716297 263663169 /nfs/dbraw/zinc/66/31/69/263663169.db2.gz ZTBHIOJCWSZHJI-SFHVURJKSA-N -1 3 363.410 2.505 50 0 FFAAHM O=C(NC(=S)Nc1ccccc1[O-])c1cncc(Br)c1 ZINC000000678551 506228040 /nfs/dbraw/zinc/22/80/40/506228040.db2.gz VKTWVJWRNBKAGP-UHFFFAOYSA-N -1 3 352.213 2.677 50 0 FFAAHM COc1cc([C@H]2N[C@@H](C(=O)[O-])Cc3c4ccccc4[nH]c32)cc(OC)c1O ZINC000000754307 506231765 /nfs/dbraw/zinc/23/17/65/506231765.db2.gz SDMYZAFOXJKZSN-RHSMWYFYSA-N -1 3 368.389 2.579 50 0 biogenic FFAAHM CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000000842278 506234774 /nfs/dbraw/zinc/23/47/74/506234774.db2.gz QRUODGFJASWREN-CYBMUJFWSA-N -1 3 354.790 2.587 50 0 FFAAHM Cc1ccc(S(=O)(=O)[C@H]([N-]C(=O)CF)C(Cl)(Cl)Cl)cc1 ZINC000000820614 506235170 /nfs/dbraw/zinc/23/51/70/506235170.db2.gz REUJKBFELXQEDZ-JTQLQIEISA-N -1 3 362.637 2.551 50 0 FFAAHM CC(=O)Oc1ccc([C@H]2CC(=O)c3c([O-])cc(OC(C)=O)cc3O2)cc1 ZINC000001106016 506249380 /nfs/dbraw/zinc/24/93/80/506249380.db2.gz PPTNIBIWQQIJJN-QGZVFWFLSA-N -1 3 356.330 2.949 50 0 FFAAHM COC(=O)c1cc(Cl)c([N-]S(=O)(=O)c2ccccc2)cc1OC ZINC000001446222 506262415 /nfs/dbraw/zinc/26/24/15/506262415.db2.gz AEQVSNRZXZYCGV-UHFFFAOYSA-N -1 3 355.799 2.936 50 0 FFAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NC[C@@H]1CCCO1 ZINC000002623438 506285099 /nfs/dbraw/zinc/28/50/99/506285099.db2.gz PMHLBUIHYDLSCG-JTQLQIEISA-N -1 3 368.459 2.808 50 0 FFAAHM Cc1c(C(=O)N(C)C)sc2ncn3nc(-c4ccccc4[O-])nc3c12 ZINC000002792227 506292783 /nfs/dbraw/zinc/29/27/83/506292783.db2.gz MZMZALDRTPVSJT-UHFFFAOYSA-N -1 3 353.407 2.722 50 0 FFAAHM CCOC([O-])=NC(=O)COC(=O)c1cc(Br)ccc1Cl ZINC000003513341 506337922 /nfs/dbraw/zinc/33/79/22/506337922.db2.gz ALKGWRTZBHJMOV-UHFFFAOYSA-N -1 3 364.579 2.532 50 0 FFAAHM CCOC(=O)[N-]C(=O)COC(=O)c1cc(Br)ccc1Cl ZINC000003513341 506337932 /nfs/dbraw/zinc/33/79/32/506337932.db2.gz ALKGWRTZBHJMOV-UHFFFAOYSA-N -1 3 364.579 2.532 50 0 FFAAHM Cc1cc(N2N=C(c3ccc(Cl)cc3)C[C@@]2([O-])C(F)(F)F)nc(N)n1 ZINC000005241978 506430183 /nfs/dbraw/zinc/43/01/83/506430183.db2.gz HACYFOUOTFXOMX-CQSZACIVSA-N -1 3 371.750 2.886 50 0 FFAAHM Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(C)c(C)c2)c([O-])c1 ZINC000006454149 506484553 /nfs/dbraw/zinc/48/45/53/506484553.db2.gz PTYSNZPROPKAPC-UHFFFAOYSA-N -1 3 362.451 2.625 50 0 FFAAHM NC(=O)c1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2Cl)cs1 ZINC000006681489 506498063 /nfs/dbraw/zinc/49/80/63/506498063.db2.gz WXHQCKGQBAKCDI-UHFFFAOYSA-N -1 3 351.236 2.955 50 0 FFAAHM CCCN1CCc2nc(SCC(=O)Nc3ccc(C)cc3)[n-]c(=O)c2C1 ZINC000067291704 506819592 /nfs/dbraw/zinc/81/95/92/506819592.db2.gz HEZMILKIRRSVDN-UHFFFAOYSA-N -1 3 372.494 2.990 50 0 FFAAHM Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(C)(=O)=O)c([O-])c1 ZINC000012805699 506904659 /nfs/dbraw/zinc/90/46/59/506904659.db2.gz ASBWLWGMEJBVKD-UHFFFAOYSA-N -1 3 360.435 2.665 50 0 FFAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1cccc(Cl)c1)c1cccs1 ZINC000012920209 506916445 /nfs/dbraw/zinc/91/64/45/506916445.db2.gz ZQZAFOVDASJOLW-LBPRGKRZSA-N -1 3 359.856 2.984 50 0 FFAAHM O=C([O-])c1n[nH]cc1CN1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000067676736 506971392 /nfs/dbraw/zinc/97/13/92/506971392.db2.gz DEQOKWPMNUMKND-HNNXBMFYSA-N -1 3 365.437 2.801 50 0 FFAAHM Cc1cccc(NC(=O)CN2CCC(C(=O)Nc3ccccc3[O-])CC2)c1 ZINC000015042186 507013826 /nfs/dbraw/zinc/01/38/26/507013826.db2.gz AJHXWGUDJDPJNG-UHFFFAOYSA-N -1 3 367.449 2.990 50 0 FFAAHM O=C(Nc1cc(Cl)ccc1[O-])c1cc(-n2cnnn2)ccc1Cl ZINC000020714404 507231653 /nfs/dbraw/zinc/23/16/53/507231653.db2.gz WHUDOMRNZMRUGS-UHFFFAOYSA-N -1 3 350.165 2.927 50 0 FFAAHM CCCCCc1nnc([N-]C(=O)c2ccccc2S(C)(=O)=O)s1 ZINC000021273223 507248447 /nfs/dbraw/zinc/24/84/47/507248447.db2.gz IGDHXQWRNGJAAR-UHFFFAOYSA-N -1 3 353.469 2.927 50 0 FFAAHM COc1ccc([C@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)cc1 ZINC000057521168 507283287 /nfs/dbraw/zinc/28/32/87/507283287.db2.gz ZIKOSFKXIQGYGQ-NSHDSACASA-N -1 3 372.450 2.538 50 0 FFAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CC[C@@H](CC)C2 ZINC000022327163 507288517 /nfs/dbraw/zinc/28/85/17/507288517.db2.gz QDYOBTIYGYCBLI-SNVBAGLBSA-N -1 3 353.440 2.941 50 0 FFAAHM CN(C)c1ccc(CCC[N-]S(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000023002813 507325102 /nfs/dbraw/zinc/32/51/02/507325102.db2.gz SUNVSAQJBUJDDO-UHFFFAOYSA-N -1 3 354.422 2.942 50 0 FFAAHM O=S(=O)([N-]CC1(c2cccs2)CCOCC1)c1ccccc1F ZINC000023238558 507338947 /nfs/dbraw/zinc/33/89/47/507338947.db2.gz NHVQDZGWOKSBQZ-UHFFFAOYSA-N -1 3 355.456 2.914 50 0 FFAAHM COCc1cc(=O)[n-]c(-c2ccc(CN(C)Cc3c(C)n[nH]c3C)cc2)n1 ZINC000023379762 507348666 /nfs/dbraw/zinc/34/86/66/507348666.db2.gz OWTSFJDCQXTHHD-UHFFFAOYSA-N -1 3 367.453 2.555 50 0 FFAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)c2)n1 ZINC000058023794 507365939 /nfs/dbraw/zinc/36/59/39/507365939.db2.gz VZACJAQSFCBOQN-DYVFJYSZSA-N -1 3 371.437 2.522 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000024154651 507394908 /nfs/dbraw/zinc/39/49/08/507394908.db2.gz CDBVEGXSSWURMB-UHFFFAOYSA-N -1 3 355.829 2.569 50 0 FFAAHM CC(C)(C[N-]S(=O)(=O)c1ccccc1F)N1CCc2ccccc2C1 ZINC000028059757 507706999 /nfs/dbraw/zinc/70/69/99/507706999.db2.gz KWEJEOFTHGHKEB-UHFFFAOYSA-N -1 3 362.470 2.941 50 0 FFAAHM Cc1ccc(O)c(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)c1 ZINC000071759711 507712183 /nfs/dbraw/zinc/71/21/83/507712183.db2.gz XHAFTDYLEFERSJ-UHFFFAOYSA-N -1 3 361.401 2.649 50 0 FFAAHM Cc1[nH]c2c(c1CC(=O)N1CCc3c(nc(C)[n-]c3=O)C1)c(C)ccc2C ZINC000072129008 507753460 /nfs/dbraw/zinc/75/34/60/507753460.db2.gz CSJNJVCCUMPZPA-UHFFFAOYSA-N -1 3 364.449 2.612 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)C1(c3ccc(Cl)cc3)CCC1)C2 ZINC000072133061 507753615 /nfs/dbraw/zinc/75/36/15/507753615.db2.gz TYJHTRQVQPSGQZ-UHFFFAOYSA-N -1 3 357.841 2.738 50 0 FFAAHM O=C(Nc1nnc(C(F)(F)F)[n-]1)c1cc(Br)ccc1F ZINC000029389833 507776748 /nfs/dbraw/zinc/77/67/48/507776748.db2.gz YLZDOHVJZPGHGF-UHFFFAOYSA-N -1 3 353.073 2.977 50 0 FFAAHM O=C(Nc1nc(C(F)(F)F)n[n-]1)c1cc(Br)ccc1F ZINC000029389833 507776752 /nfs/dbraw/zinc/77/67/52/507776752.db2.gz YLZDOHVJZPGHGF-UHFFFAOYSA-N -1 3 353.073 2.977 50 0 FFAAHM COc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)N(Cc2ccccn2)C3)c([O-])c1 ZINC000091444990 507986406 /nfs/dbraw/zinc/98/64/06/507986406.db2.gz ODTMWCCVDOMLPU-NVXWUHKLSA-N -1 3 367.449 2.532 50 0 FFAAHM Cc1ccc(C(=O)N[C@H](C)c2ccc([O-])c(F)c2)cc1N1CCNC1=O ZINC000091809011 508014873 /nfs/dbraw/zinc/01/48/73/508014873.db2.gz RTARPQODDCOASZ-GFCCVEGCSA-N -1 3 357.385 2.860 50 0 FFAAHM COc1ccc(CN(C)C[C@H]2Cc3ccccc3CN2C)cc1C(=O)[O-] ZINC000216038568 509255388 /nfs/dbraw/zinc/25/53/88/509255388.db2.gz KPBSKCSLYQAUCI-GOSISDBHSA-N -1 3 354.450 2.882 50 0 FFAAHM CC[C@H]([N-]S(=O)(=O)c1ccc(-c2c(C)noc2C)s1)C1CC(O)C1 ZINC000222911445 509325522 /nfs/dbraw/zinc/32/55/22/509325522.db2.gz ITNZHRYCQFBIMT-BPCQOVAHSA-N -1 3 370.496 2.848 50 0 FFAAHM COC(=O)C[C@H](c1ccc2c(c1)OCO2)c1oc2ccccc2c(=O)c1[O-] ZINC000253398033 509876838 /nfs/dbraw/zinc/87/68/38/509876838.db2.gz BVIYZBBKJSERHC-CYBMUJFWSA-N -1 3 368.341 2.922 50 0 biogenic FFAAHM CC(C)CCN=c1[n-]c(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)cs1 ZINC000409412981 513102292 /nfs/dbraw/zinc/10/22/92/513102292.db2.gz UXQXLDLTGCHBDZ-KBXCAEBGSA-N -1 3 351.516 3.368 50 0 biogenic FFAAHM Cc1cc(=O)[n-]c(-c2cccc(NC(=O)COc3ccc(F)cc3)c2)n1 ZINC000047317684 570885868 /nfs/dbraw/zinc/88/58/68/570885868.db2.gz ZIFQZITXTVBIPI-UHFFFAOYSA-N -1 3 353.353 2.902 50 0 FFAAHM CN(C)c1cccc([C@H]2CCCN2C(=O)c2cnc3c(cnn3C)c2[O-])c1 ZINC000179506418 991281654 /nfs/dbraw/zinc/28/16/54/991281654.db2.gz NZKQJLVAJZGRPN-QGZVFWFLSA-N -1 3 365.437 2.717 50 0 FFAAHM Cc1cc2nc(CN3CCC(c4nc5ccccc5[nH]4)CC3)cc(=O)n2[n-]1 ZINC001529118708 1062171397 /nfs/dbraw/zinc/17/13/97/1062171397.db2.gz OPGFRIRCAYDFEG-UHFFFAOYSA-N -1 3 362.437 2.587 50 0 FFAAHM CCN1C(=O)/C(=C/c2cc(Br)c([O-])c(OC)c2)N(C)C1=S ZINC000001103026 219369229 /nfs/dbraw/zinc/36/92/29/219369229.db2.gz GBHFVMLJPYUVIC-POHAHGRESA-N -1 3 371.256 2.583 50 0 FFAAHM Cc1nc(C)c(CC(=O)N[C@H]2CC3(CCCC3)Oc3ccccc32)c(=O)[n-]1 ZINC000129762279 209370704 /nfs/dbraw/zinc/37/07/04/209370704.db2.gz JCSNMMCJJAGJIS-KRWDZBQOSA-N -1 3 367.449 2.882 50 0 FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl ZINC000237129795 209335457 /nfs/dbraw/zinc/33/54/57/209335457.db2.gz JSUJFWXJSXFZID-OLZOCXBDSA-N -1 3 359.253 2.572 50 0 FFAAHM CC1CCN(Cc2cc(=O)n3nc(-c4ccc(Cl)cc4)[n-]c3n2)CC1 ZINC000101747317 209229361 /nfs/dbraw/zinc/22/93/61/209229361.db2.gz ZHWROTYKMWLQTB-UHFFFAOYSA-N -1 3 357.845 2.970 50 0 FFAAHM CCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)[N-]C2=O)cc1 ZINC000100841889 209219387 /nfs/dbraw/zinc/21/93/87/209219387.db2.gz KIYCPZUGSBNQLX-GOSISDBHSA-N -1 3 362.389 2.819 50 0 FFAAHM COc1ccccc1OCC(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000006407955 207139099 /nfs/dbraw/zinc/13/90/99/207139099.db2.gz RVKZDUPQWHODRE-BZNIZROVSA-N -1 3 372.343 2.713 50 0 FFAAHM Cn1ccnc1[C@H]([N-]S(=O)(=O)c1cccc(F)c1)c1ccccc1F ZINC000008746602 207246772 /nfs/dbraw/zinc/24/67/72/207246772.db2.gz DKLGESZBRVSWNJ-MRXNPFEDSA-N -1 3 363.389 2.766 50 0 FFAAHM C[C@H](Sc1n[n-]c([C@H]2CCCO2)n1)C(=O)Nc1ccc(Cl)cn1 ZINC000008940248 207252570 /nfs/dbraw/zinc/25/25/70/207252570.db2.gz HJGKRUNNNJKCRN-WCBMZHEXSA-N -1 3 353.835 2.824 50 0 FFAAHM CCCn1c(=O)[n-]nc1SCC(=O)N(C)[C@@H](C)c1ccc(F)cc1 ZINC000011651140 207317218 /nfs/dbraw/zinc/31/72/18/207317218.db2.gz YCXGAFVILMFKHT-NSHDSACASA-N -1 3 352.435 2.845 50 0 FFAAHM O=C(c1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1)N1CCCC1 ZINC000035405082 208123206 /nfs/dbraw/zinc/12/32/06/208123206.db2.gz CBAOUDHEQACFLA-UHFFFAOYSA-N -1 3 368.455 2.602 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCN(CCCc2ccccc2)[C@@H](CCO)C1 ZINC000072454521 208867557 /nfs/dbraw/zinc/86/75/57/208867557.db2.gz IAMIQJCOANZPCA-IBGZPJMESA-N -1 3 368.477 2.534 50 0 FFAAHM COc1ccc2cc([C@H](C(=O)[O-])N3CCCN(C(C)=O)CC3)ccc2c1 ZINC000095353851 209024284 /nfs/dbraw/zinc/02/42/84/209024284.db2.gz VLOZHGNWBWJBJW-LJQANCHMSA-N -1 3 356.422 2.528 50 0 FFAAHM O=C([O-])[C@@H](c1ccc(CCCO)cc1)N1CCN(C2CCCCC2)CC1 ZINC000095376341 209037569 /nfs/dbraw/zinc/03/75/69/209037569.db2.gz AMJCYSPGYWWXAR-HXUWFJFHSA-N -1 3 360.498 2.688 50 0 FFAAHM COc1cc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@@H]2C)ccc1[O-] ZINC000082139023 132197083 /nfs/dbraw/zinc/19/70/83/132197083.db2.gz DANUQTOOXAKBJY-AWEZNQCLSA-N -1 3 354.406 2.587 50 0 FFAAHM CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000000803051 506233861 /nfs/dbraw/zinc/23/38/61/506233861.db2.gz WSSHEALBTWXNOJ-ZDUSSCGKSA-N -1 3 354.790 2.635 50 0 FFAAHM CCCn1cc(CC[N-]S(=O)(=O)c2c(C)noc2C)c2cccnc21 ZINC000065163209 506265302 /nfs/dbraw/zinc/26/53/02/506265302.db2.gz FKCZGYCCQBMOSU-UHFFFAOYSA-N -1 3 362.455 2.572 50 0 FFAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)NC[C@H]1CCCO1 ZINC000002623437 506285049 /nfs/dbraw/zinc/28/50/49/506285049.db2.gz PMHLBUIHYDLSCG-SNVBAGLBSA-N -1 3 368.459 2.808 50 0 FFAAHM COC(=O)[C@]([O-])(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(F)(F)F ZINC000002764720 506291670 /nfs/dbraw/zinc/29/16/70/506291670.db2.gz YNPLACAHMXLMFE-LLVKDONJSA-N -1 3 360.115 2.788 50 0 FFAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(OCC(=O)N2CCCC2)cc1 ZINC000002871764 506297695 /nfs/dbraw/zinc/29/76/95/506297695.db2.gz FRLLOKAJHWPHAT-UHFFFAOYSA-N -1 3 374.462 2.797 50 0 FFAAHM CCOC(=O)[C@]([O-])(c1ccc(N(C)C(=O)OC(C)C)cc1)C(F)(F)F ZINC000002900755 506299748 /nfs/dbraw/zinc/29/97/48/506299748.db2.gz UKHLAJXQJIUJMY-OAHLLOKOSA-N -1 3 363.332 2.981 50 0 FFAAHM CCCNC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000002938578 506303024 /nfs/dbraw/zinc/30/30/24/506303024.db2.gz CDGYTFLYAFTUJX-AWEZNQCLSA-N -1 3 370.858 2.869 50 0 FFAAHM COC(=O)[C@H](CC(C)C)[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000002992884 506304871 /nfs/dbraw/zinc/30/48/71/506304871.db2.gz AWPTYOIRPZBHKM-NSHDSACASA-N -1 3 354.255 2.859 50 0 FFAAHM CCOC(=O)[C@@]([N-]c1ccccc1)(NC(=O)c1ccco1)C(F)(F)F ZINC000003103575 506309211 /nfs/dbraw/zinc/30/92/11/506309211.db2.gz SGQYMLVITVAZFX-OAHLLOKOSA-N -1 3 356.300 2.943 50 0 FFAAHM Cc1cc([O-])c(C(=O)Nc2cccc(Cl)c2)c(=O)n1C[C@@H]1CCCO1 ZINC000004851078 506399481 /nfs/dbraw/zinc/39/94/81/506399481.db2.gz BKSLHWHUKJYWHP-AWEZNQCLSA-N -1 3 362.813 2.947 50 0 FFAAHM Cc1cc(N2N=C(c3ccc(Cl)cc3)C[C@]2([O-])C(F)(F)F)nc(N)n1 ZINC000005241984 506430958 /nfs/dbraw/zinc/43/09/58/506430958.db2.gz HACYFOUOTFXOMX-AWEZNQCLSA-N -1 3 371.750 2.886 50 0 FFAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@H]1COC2(CCCCC2)O1 ZINC000038936647 506445613 /nfs/dbraw/zinc/44/56/13/506445613.db2.gz SAFFWDXFFMTUMU-AWEZNQCLSA-N -1 3 359.875 2.835 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)c3csc4c3CCCC4)c2)NC(=O)[N-]C1=O ZINC000040111215 506468393 /nfs/dbraw/zinc/46/83/93/506468393.db2.gz PQHXAFHWCIMTIB-LJQANCHMSA-N -1 3 369.446 2.934 50 0 FFAAHM Cc1nn(-c2ccccc2)c2ncc(C(=O)NCCc3ccccc3)c([O-])c12 ZINC000007424099 506561920 /nfs/dbraw/zinc/56/19/20/506561920.db2.gz FSUQOIAILGKYMB-UHFFFAOYSA-N -1 3 372.428 2.995 50 0 FFAAHM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cccc1N1CCCC1=O ZINC000055648658 506813080 /nfs/dbraw/zinc/81/30/80/506813080.db2.gz KMLWCIFAMQBUKX-UHFFFAOYSA-N -1 3 372.446 2.858 50 0 FFAAHM Cc1nnc(NC(=O)c2cc(=O)c(OCc3ccc(F)cc3)c[n-]2)s1 ZINC000012168762 506828222 /nfs/dbraw/zinc/82/82/22/506828222.db2.gz CBMRGVXQEIKDDQ-UHFFFAOYSA-N -1 3 360.370 2.505 50 0 FFAAHM Cc1cc(-c2nnc([N-]C(=O)c3ccc(Br)s3)o2)n(C)n1 ZINC000013614558 506947070 /nfs/dbraw/zinc/94/70/70/506947070.db2.gz ZBPGOBTZQBIKIJ-UHFFFAOYSA-N -1 3 368.216 2.855 50 0 FFAAHM Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)c([O-])c1 ZINC000014888179 507002412 /nfs/dbraw/zinc/00/24/12/507002412.db2.gz AQVWAEGYHBAOLC-LBPRGKRZSA-N -1 3 360.435 2.664 50 0 FFAAHM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2ccncc2)CC1 ZINC000020718817 507232636 /nfs/dbraw/zinc/23/26/36/507232636.db2.gz OBYYWOXSOVQHMG-LJQANCHMSA-N -1 3 368.412 2.646 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccccc2N2CCN(C)CC2)c(C)c1 ZINC000023763326 507371683 /nfs/dbraw/zinc/37/16/83/507371683.db2.gz CKHRJJPXRWTBTI-UHFFFAOYSA-N -1 3 359.495 2.856 50 0 FFAAHM Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c([O-])c1 ZINC000058304415 507403482 /nfs/dbraw/zinc/40/34/82/507403482.db2.gz JSBVCOBYDRHMKH-UHFFFAOYSA-N -1 3 351.406 2.821 50 0 FFAAHM CCc1ccccc1[N-]S(=O)(=O)c1ccc(OCCC(=O)OC)cc1 ZINC000048331764 507503281 /nfs/dbraw/zinc/50/32/81/507503281.db2.gz YSOBFFQBSWDIIR-UHFFFAOYSA-N -1 3 363.435 2.992 50 0 FFAAHM COC(=O)c1ccc(Cl)c(S(=O)(=O)[N-][C@@H](C)c2ccccn2)c1 ZINC000027950282 507695998 /nfs/dbraw/zinc/69/59/98/507695998.db2.gz UDIXYBBICGFIKV-JTQLQIEISA-N -1 3 354.815 2.561 50 0 FFAAHM O=C(c1sccc1Cl)N1CCc2c(=O)[n-]c(-c3cccnc3)nc2C1 ZINC000071768014 507714896 /nfs/dbraw/zinc/71/48/96/507714896.db2.gz ZQDRBFRBIOLVLV-UHFFFAOYSA-N -1 3 372.837 2.745 50 0 FFAAHM O=C([O-])COc1ccccc1CN1CCC2(CC1)c1ccccc1C[C@H]2O ZINC000072165507 507766384 /nfs/dbraw/zinc/76/63/84/507766384.db2.gz TWZKRICWUWTNKL-HXUWFJFHSA-N -1 3 367.445 2.601 50 0 FFAAHM O=C([O-])COc1ccccc1CN1CCCN(Cc2ccc(F)cc2)CC1 ZINC000072173909 507770176 /nfs/dbraw/zinc/77/01/76/507770176.db2.gz SSOIFUAEBUUGNL-UHFFFAOYSA-N -1 3 372.440 2.997 50 0 FFAAHM Cc1cc(C)n(-c2ccc(F)cc2CN2CCc3[nH]cnc3[C@@H]2C(=O)[O-])n1 ZINC000072432939 507790609 /nfs/dbraw/zinc/79/06/09/507790609.db2.gz PSBJASUXAHJILI-GOSISDBHSA-N -1 3 369.400 2.535 50 0 FFAAHM CCOc1ccc(CN2CCc3[nH]cnc3[C@@H]2C(=O)[O-])c(OCC)c1C ZINC000072434559 507791176 /nfs/dbraw/zinc/79/11/76/507791176.db2.gz GIMVLETYTSWOOZ-QGZVFWFLSA-N -1 3 359.426 2.700 50 0 FFAAHM O=C([O-])[C@@H]1c2nc[nH]c2CCN1Cc1ccc(OCc2ccccn2)cc1 ZINC000072440336 507792543 /nfs/dbraw/zinc/79/25/43/507792543.db2.gz IFSBUZXKOBWXLK-IBGZPJMESA-N -1 3 364.405 2.568 50 0 FFAAHM CCOc1ccc(-c2ccnc(NCCN3CCCC3)n2)cc1C(=O)[O-] ZINC000072478740 507797038 /nfs/dbraw/zinc/79/70/38/507797038.db2.gz CVANJNYDVNOOIS-UHFFFAOYSA-N -1 3 356.426 2.748 50 0 FFAAHM COc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)c1 ZINC000089652290 507853874 /nfs/dbraw/zinc/85/38/74/507853874.db2.gz QKQWLVVHEZOVBH-CQSZACIVSA-N -1 3 369.421 2.595 50 0 FFAAHM CO[C@@H](C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccsc1 ZINC000096120648 508206657 /nfs/dbraw/zinc/20/66/57/508206657.db2.gz IKNYLXHDQBVQAF-ZQIUZPCESA-N -1 3 371.524 2.750 50 0 FFAAHM O=C([O-])COc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470926 508320697 /nfs/dbraw/zinc/32/06/97/508320697.db2.gz XDENZOSLNLVRKX-OAQYLSRUSA-N -1 3 372.465 2.517 50 0 FFAAHM Cc1nc(C[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)c(C)s1 ZINC000152892492 508529308 /nfs/dbraw/zinc/52/93/08/508529308.db2.gz SUBYURXVGRFHFQ-UHFFFAOYSA-N -1 3 356.860 2.540 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)N2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)on1 ZINC000182815579 509438357 /nfs/dbraw/zinc/43/83/57/509438357.db2.gz NOFFUKZXGBJVCS-RYUDHWBXSA-N -1 3 371.363 2.862 50 0 FFAAHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2noc(-c3cccc(F)c3)n2)c1 ZINC000170619798 509682931 /nfs/dbraw/zinc/68/29/31/509682931.db2.gz NGCBTVBFQIUPMZ-UHFFFAOYSA-N -1 3 365.361 2.802 50 0 FFAAHM CN1CCN(CCC(=O)Nc2ccsc2C(=O)[O-])C[C@@H]1c1ccccc1 ZINC000299798359 511685676 /nfs/dbraw/zinc/68/56/76/511685676.db2.gz SNVKDLDFRIEGSK-MRXNPFEDSA-N -1 3 373.478 2.764 50 0 FFAAHM CC[C@@H](NC(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1nc2cc(C)ccc2[nH]1 ZINC000426428307 513937634 /nfs/dbraw/zinc/93/76/34/513937634.db2.gz VGDAMHLJXZUBIA-CYBMUJFWSA-N -1 3 366.425 2.852 50 0 FFAAHM CC[C@@H](NC(=O)N1Cc2nc(C)[n-]c(=O)c2C1)c1nc2ccc(C)cc2[nH]1 ZINC000426428307 513937641 /nfs/dbraw/zinc/93/76/41/513937641.db2.gz VGDAMHLJXZUBIA-CYBMUJFWSA-N -1 3 366.425 2.852 50 0 FFAAHM Cc1cnn(CC2CCN(C(=O)c3cc(C(C)(C)C)nc(=O)[n-]3)CC2)c1 ZINC000426445470 513943637 /nfs/dbraw/zinc/94/36/37/513943637.db2.gz HXEYDDCSKUWVBY-UHFFFAOYSA-N -1 3 357.458 2.537 50 0 FFAAHM CCCCn1ccnc1C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000091425673 521394558 /nfs/dbraw/zinc/39/45/58/521394558.db2.gz MWWAWYYONXQWJY-UHFFFAOYSA-N -1 3 352.442 2.974 50 0 FFAAHM Cc1ncc(C(=O)NCC[C@@H](c2ccco2)c2ccc(F)cc2)c(=O)[n-]1 ZINC000091468627 527234035 /nfs/dbraw/zinc/23/40/35/527234035.db2.gz ZATHAHRWSIYPBT-OAHLLOKOSA-N -1 3 355.369 2.762 50 0 FFAAHM COC(=O)c1c(C)c(C)sc1NC=C1C(=O)[N-]C(=O)c2ccccc21 ZINC000016719971 845031597 /nfs/dbraw/zinc/03/15/97/845031597.db2.gz HPNDXZLEEWFMCK-MDWZMJQESA-N -1 3 356.403 2.875 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCC[C@@H]1C(=O)N1CCc2ccc(F)cc21 ZINC000195108574 969694343 /nfs/dbraw/zinc/69/43/43/969694343.db2.gz XJBAOPFHSNAPNU-MRXNPFEDSA-N -1 3 354.381 2.725 50 0 FFAAHM Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)ccc1-n1cccc1 ZINC000023505539 206748421 /nfs/dbraw/zinc/74/84/21/206748421.db2.gz JOSOIDDVQOARRY-QGZVFWFLSA-N -1 3 362.433 2.889 50 0 FFAAHM CCCCN(C)C(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700419 207039122 /nfs/dbraw/zinc/03/91/22/207039122.db2.gz RJEXZVUTYMNMNT-GOSISDBHSA-N -1 3 358.413 2.978 50 0 FFAAHM CC1CCN(C(=O)C(=C([O-])c2ccc(F)cc2)n2ccccc2=O)CC1 ZINC000004575657 207029787 /nfs/dbraw/zinc/02/97/87/207029787.db2.gz USWUJLFZDDPHIG-GOSISDBHSA-N -1 3 356.397 2.670 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000005100116 207080936 /nfs/dbraw/zinc/08/09/36/207080936.db2.gz XCCQWAIPVYBTNL-NVXWUHKLSA-N -1 3 367.792 2.663 50 0 FFAAHM Cc1nc(C)c(CCC(=O)Nc2ccccc2Br)c(=O)[n-]1 ZINC000009363957 207268870 /nfs/dbraw/zinc/26/88/70/207268870.db2.gz QFTZBEGSJSSRRE-UHFFFAOYSA-N -1 3 350.216 2.721 50 0 FFAAHM O=S(=O)([N-]Cc1cccnc1OCC(F)(F)F)c1ccccc1F ZINC000026863416 207923380 /nfs/dbraw/zinc/92/33/80/207923380.db2.gz CBSBFYQRPSBGOK-UHFFFAOYSA-N -1 3 364.320 2.640 50 0 FFAAHM CC(=O)N1CCC(c2nnc(C(=O)[N-]c3ccc(F)cc3F)s2)CC1 ZINC000033273005 208080847 /nfs/dbraw/zinc/08/08/47/208080847.db2.gz JCJYJRQCMNQAGE-UHFFFAOYSA-N -1 3 366.393 2.795 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1CCCCCC1 ZINC000036022371 208141255 /nfs/dbraw/zinc/14/12/55/208141255.db2.gz LWYOBHNNZPHOKZ-INIZCTEOSA-N -1 3 356.463 2.531 50 0 FFAAHM Cc1cc([C@H](C)NC(=O)Cn2[n-]c(=O)c3ccccc3c2=O)c(C)s1 ZINC000040074268 208222724 /nfs/dbraw/zinc/22/27/24/208222724.db2.gz HVHGBBPWKYRMJI-NSHDSACASA-N -1 3 357.435 2.658 50 0 FFAAHM O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc2c(cc1[O-])OCO2 ZINC000040153783 208238207 /nfs/dbraw/zinc/23/82/07/208238207.db2.gz OHTLPMWVZANMRD-CQSZACIVSA-N -1 3 357.362 2.931 50 0 FFAAHM COc1ccc(NC(C)=O)cc1NC(=O)c1c[n-]c2ccccc2c1=O ZINC000044901465 208319416 /nfs/dbraw/zinc/31/94/16/208319416.db2.gz HDIMFSUWXDIJFF-UHFFFAOYSA-N -1 3 351.362 2.747 50 0 FFAAHM COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2ccccc2c1[O-] ZINC000044901465 208319420 /nfs/dbraw/zinc/31/94/20/208319420.db2.gz HDIMFSUWXDIJFF-UHFFFAOYSA-N -1 3 351.362 2.747 50 0 FFAAHM COC(=O)C[C@H](NC(=O)c1c[n-]c2ccccc2c1=O)c1ccccc1 ZINC000046017691 208354551 /nfs/dbraw/zinc/35/45/51/208354551.db2.gz PMUXVDUPPJCAAI-KRWDZBQOSA-N -1 3 350.374 2.562 50 0 FFAAHM CC[C@H](C[N-]S(=O)(=O)c1cccs1)N1CCc2ccccc2C1 ZINC000046071670 208359403 /nfs/dbraw/zinc/35/94/03/208359403.db2.gz FVIGDUXRAMMGPW-MRXNPFEDSA-N -1 3 350.509 2.863 50 0 FFAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1cccs1)N1CCCC1 ZINC000047032240 208373165 /nfs/dbraw/zinc/37/31/65/208373165.db2.gz QCJAJNJWROKFJL-OAHLLOKOSA-N -1 3 366.508 2.872 50 0 FFAAHM Cc1cc(Cl)c(C)c(S(=O)(=O)[N-]CCN(C)C2CC2)c1Cl ZINC000048273922 208394914 /nfs/dbraw/zinc/39/49/14/208394914.db2.gz YISBZKHKTWUSDG-UHFFFAOYSA-N -1 3 351.299 2.983 50 0 FFAAHM COc1cc(C(=O)N2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)ccc1[O-] ZINC000067654346 208713339 /nfs/dbraw/zinc/71/33/39/208713339.db2.gz VPDTVYMLSIEZLK-LAUBAEHRSA-N -1 3 355.434 2.857 50 0 FFAAHM Cc1ccc2[nH]c(CN(C)C(=O)c3cnc(-c4cccnc4)[n-]c3=O)nc2c1 ZINC000092019359 209010455 /nfs/dbraw/zinc/01/04/55/209010455.db2.gz SAJYXZZBKLOXOU-UHFFFAOYSA-N -1 3 374.404 2.701 50 0 FFAAHM Cc1ccc2nc(CN(C)C(=O)c3cnc(-c4cccnc4)[n-]c3=O)[nH]c2c1 ZINC000092019359 209010458 /nfs/dbraw/zinc/01/04/58/209010458.db2.gz SAJYXZZBKLOXOU-UHFFFAOYSA-N -1 3 374.404 2.701 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)cc1F ZINC000095360673 209028306 /nfs/dbraw/zinc/02/83/06/209028306.db2.gz ADLWPBUTLQHTFK-IBGZPJMESA-N -1 3 373.428 2.563 50 0 FFAAHM Cc1sc2ncnc(NCCn3[n-]c(=O)c4ccccc4c3=O)c2c1C ZINC000095374431 209036532 /nfs/dbraw/zinc/03/65/32/209036532.db2.gz ZSICXHFTFWMUIK-UHFFFAOYSA-N -1 3 367.434 2.836 50 0 FFAAHM Cc1nc(C2CCN(C(=O)[C@@H]3Cc4ccccc4S3)CC2)cc(=O)[n-]1 ZINC000095384438 209042637 /nfs/dbraw/zinc/04/26/37/209042637.db2.gz JUYLKRDQVCTFRC-KRWDZBQOSA-N -1 3 355.463 2.501 50 0 FFAAHM COCCn1cc(C(=O)Nc2n[n-]c([C@@H]3CCCO3)n2)c2ccccc21 ZINC000095477378 209058276 /nfs/dbraw/zinc/05/82/76/209058276.db2.gz ZXESKJZXNAKUAS-HNNXBMFYSA-N -1 3 355.398 2.510 50 0 FFAAHM CCc1nc2sccc2c(N2CCN(C(=O)c3ccc([O-])cc3)CC2)n1 ZINC000301808073 258068869 /nfs/dbraw/zinc/06/88/69/258068869.db2.gz CQLYVAQDCOVVOK-UHFFFAOYSA-N -1 3 368.462 2.922 50 0 FFAAHM CC(C)c1cccc(N2CC[C@H](N3CCN(C)CC3)[C@H](CCC(=O)[O-])C2)n1 ZINC000095362257 132207692 /nfs/dbraw/zinc/20/76/92/132207692.db2.gz GZJPYRPPZDDYBN-MJGOQNOKSA-N -1 3 374.529 2.512 50 0 FFAAHM C[C@@H](C1CCN(c2cc(C(=O)[O-])c3ccccc3n2)CC1)N1CCOCC1 ZINC000095375507 132209114 /nfs/dbraw/zinc/20/91/14/132209114.db2.gz ZYCMXRCBKDMHTL-HNNXBMFYSA-N -1 3 369.465 2.870 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1C ZINC000009828252 132381564 /nfs/dbraw/zinc/38/15/64/132381564.db2.gz MSURQFAQZAOEME-UHFFFAOYSA-N -1 3 360.435 2.713 50 0 FFAAHM Cc1ccc(C(=O)N2CC[C@H](C3CCN(c4ncccn4)CC3)C2)c([O-])c1 ZINC000072166855 136143523 /nfs/dbraw/zinc/14/35/23/136143523.db2.gz UOQYUZVQVLINQX-KRWDZBQOSA-N -1 3 366.465 2.869 50 0 FFAAHM COCC1(CNc2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)CCCC1 ZINC000095527672 209076980 /nfs/dbraw/zinc/07/69/80/209076980.db2.gz JNQGCRXBHLIFSH-UHFFFAOYSA-N -1 3 355.438 2.872 50 0 FFAAHM CCc1ccc(S(=O)(=O)[N-]c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000001032460 506243314 /nfs/dbraw/zinc/24/33/14/506243314.db2.gz IPHCRSLCIRTQIE-UHFFFAOYSA-N -1 3 368.480 2.730 50 0 FFAAHM CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000001177047 506253443 /nfs/dbraw/zinc/25/34/43/506253443.db2.gz MMHSDLXZTSWAIF-UHFFFAOYSA-N -1 3 352.390 2.885 50 0 FFAAHM CCc1nnc(-c2csc(S(=O)(=O)[N-]Cc3ccc(F)cc3)c2)o1 ZINC000065098666 506260957 /nfs/dbraw/zinc/26/09/57/506260957.db2.gz ZQAYQBPDYNUSSJ-UHFFFAOYSA-N -1 3 367.427 2.978 50 0 FFAAHM Cn1nccc1-c1csc(S(=O)(=O)[N-]Cc2cc(F)cc(F)c2)c1 ZINC000065112376 506261774 /nfs/dbraw/zinc/26/17/74/506261774.db2.gz PAVKNNBEAXNEFP-UHFFFAOYSA-N -1 3 369.418 2.905 50 0 FFAAHM O=C(NCC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 ZINC000001838196 506267904 /nfs/dbraw/zinc/26/79/04/506267904.db2.gz WLCJNGIPUPLJRS-UHFFFAOYSA-N -1 3 373.261 2.702 50 0 FFAAHM CC(C)CN1CCn2cc(S(=O)(=O)[N-]c3ccccc3F)cc2C1=O ZINC000065254810 506275362 /nfs/dbraw/zinc/27/53/62/506275362.db2.gz MTWIXDXQLQBIKR-UHFFFAOYSA-N -1 3 365.430 2.540 50 0 FFAAHM CCCNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2)cc1 ZINC000002865969 506298291 /nfs/dbraw/zinc/29/82/91/506298291.db2.gz NQERRKZTKHOXTE-UHFFFAOYSA-N -1 3 362.451 2.701 50 0 FFAAHM Cc1cc(=O)[n-]c(NCCn2cnc(-c3ccccc3)c2[C@@H]2CCOC2)n1 ZINC000065535556 506318150 /nfs/dbraw/zinc/31/81/50/506318150.db2.gz AHVWUCLZTGSIKZ-MRXNPFEDSA-N -1 3 365.437 2.558 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 ZINC000003350704 506323465 /nfs/dbraw/zinc/32/34/65/506323465.db2.gz QYZCXAAJWOZQNZ-UHFFFAOYSA-N -1 3 360.844 2.512 50 0 FFAAHM O=C(Nc1ccc(N2CCOCC2)nc1)c1cc2c(cc1[O-])CCCC2 ZINC000065617348 506334019 /nfs/dbraw/zinc/33/40/19/506334019.db2.gz OYXARUBHKFHRQW-UHFFFAOYSA-N -1 3 353.422 2.755 50 0 FFAAHM CC(C)(C)OC(=O)C(=O)N1NC(C2CCCCC2)=C[C@@]1([O-])C(F)(F)F ZINC000004009290 506355483 /nfs/dbraw/zinc/35/54/83/506355483.db2.gz LLVNCNWXGASCCO-OAHLLOKOSA-N -1 3 364.364 2.748 50 0 FFAAHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1cccc2ccccc21 ZINC000004249559 506365745 /nfs/dbraw/zinc/36/57/45/506365745.db2.gz BALOVEYYKBBHQM-UHFFFAOYSA-N -1 3 351.391 2.943 50 0 FFAAHM O=C(COc1ccccc1)Nc1nc(-c2ccccc2Br)n[n-]1 ZINC000013165278 506930287 /nfs/dbraw/zinc/93/02/87/506930287.db2.gz NKRLGPFJLRMXLR-UHFFFAOYSA-N -1 3 373.210 2.674 50 0 FFAAHM O=C(Cn1cnc(-c2ccccc2)cc1=O)Nc1cc(Cl)ccc1[O-] ZINC000013806334 506958159 /nfs/dbraw/zinc/95/81/59/506958159.db2.gz QQPLKLZTCPFCDW-UHFFFAOYSA-N -1 3 355.781 2.908 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1ncc(C)c(OC)c1C)C2 ZINC000067677454 506970566 /nfs/dbraw/zinc/97/05/66/506970566.db2.gz RUSZEHXPSZRMJO-CQSZACIVSA-N -1 3 372.469 2.611 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2C)n(C)c(=O)n3C)c(C)c1 ZINC000015780442 507058570 /nfs/dbraw/zinc/05/85/70/507058570.db2.gz HVKYMFFUTTXNSG-UHFFFAOYSA-N -1 3 359.451 2.603 50 0 FFAAHM CCCNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(F)cc2)ccc1OC ZINC000016651375 507101884 /nfs/dbraw/zinc/10/18/84/507101884.db2.gz ONQPRUOIUZROGV-UHFFFAOYSA-N -1 3 366.414 2.775 50 0 FFAAHM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017076678 507114726 /nfs/dbraw/zinc/11/47/26/507114726.db2.gz WMJCNKBIEZGBFB-DDNHJUOSSA-N -1 3 374.525 2.990 50 0 FFAAHM CCN(CC)C(=S)SCC(=O)[N-]c1nc(=O)c2ccccc2s1 ZINC000018085834 507136764 /nfs/dbraw/zinc/13/67/64/507136764.db2.gz AQQWLZDKIOJRRN-UHFFFAOYSA-N -1 3 367.521 2.955 50 0 FFAAHM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])N1CCN(Cc2ccccn2)CC1 ZINC000020721047 507233919 /nfs/dbraw/zinc/23/39/19/507233919.db2.gz BAJGZAVRNWCDPW-HXUWFJFHSA-N -1 3 364.449 2.815 50 0 FFAAHM CCOC(=O)C(=O)[N-]c1sc2c(c1C(=O)OCC)CC[C@H](CC)C2 ZINC000022327159 507289206 /nfs/dbraw/zinc/28/92/06/507289206.db2.gz QDYOBTIYGYCBLI-JTQLQIEISA-N -1 3 353.440 2.941 50 0 FFAAHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000057784049 507327234 /nfs/dbraw/zinc/32/72/34/507327234.db2.gz PZBZEPXJQXWXFS-UHFFFAOYSA-N -1 3 361.402 2.527 50 0 FFAAHM O=c1[n-]nc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)n1C1CC1 ZINC000026112448 507557932 /nfs/dbraw/zinc/55/79/32/507557932.db2.gz FQFJNHWYORFTSV-LBPRGKRZSA-N -1 3 372.479 2.604 50 0 FFAAHM Cn1cc(NC(=O)c2cc(=O)c(OCc3cccc(Cl)c3)c[n-]2)cn1 ZINC000061719232 507633001 /nfs/dbraw/zinc/63/30/01/507633001.db2.gz SHEGKCMRVMXJKT-UHFFFAOYSA-N -1 3 358.785 2.593 50 0 FFAAHM COCc1nnc(NC(=O)c2cc(=O)c(OCc3ccccc3)c[n-]2)s1 ZINC000061718772 507633438 /nfs/dbraw/zinc/63/34/38/507633438.db2.gz LAIFLGYIIAGCEI-UHFFFAOYSA-N -1 3 372.406 2.616 50 0 FFAAHM Cc1c(O)cccc1C(=O)N1CCc2c(nc(-c3ccccc3)[n-]c2=O)C1 ZINC000071765475 507713780 /nfs/dbraw/zinc/71/37/80/507713780.db2.gz CJRSKYPIRIDHHK-UHFFFAOYSA-N -1 3 361.401 2.649 50 0 FFAAHM O=S(=O)([N-][C@H]1CCCCC[C@H]1CO)c1ccccc1C(F)(F)F ZINC000089813323 507869931 /nfs/dbraw/zinc/86/99/31/507869931.db2.gz KLOHERXIXPHUFI-AAEUAGOBSA-N -1 3 351.390 2.925 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccccc1F)C(=O)N1[C@H](C)C[C@H]2CCCC[C@@H]21 ZINC000078807133 507909487 /nfs/dbraw/zinc/90/94/87/507909487.db2.gz CCZXEZBWLPFGQE-CTASWTNQSA-N -1 3 368.474 2.672 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)c3ccc4ncsc4c3)C2)cc(=O)[n-]1 ZINC000082096907 508225240 /nfs/dbraw/zinc/22/52/40/508225240.db2.gz RHROKJPNKDWPQN-ZDUSSCGKSA-N -1 3 354.435 2.708 50 0 FFAAHM CC(=O)Nc1cccc2c1CCN(C(=O)c1c[n-]c3ccccc3c1=O)C2 ZINC000083815583 508258880 /nfs/dbraw/zinc/25/88/80/508258880.db2.gz TXBYLKOIVDEKJD-UHFFFAOYSA-N -1 3 361.401 2.685 50 0 FFAAHM Cc1ccccc1[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccncc1 ZINC000215888141 509254093 /nfs/dbraw/zinc/25/40/93/509254093.db2.gz BQVULIKTXLQTJX-FQEVSTJZSA-N -1 3 362.433 2.538 50 0 FFAAHM Cc1ccc(-c2noc([C@H](C)N3CCC(c4nc(=O)[n-][nH]4)CC3)n2)cc1F ZINC000252495192 509844072 /nfs/dbraw/zinc/84/40/72/509844072.db2.gz ONBOAAQYZZNZHF-NSHDSACASA-N -1 3 372.404 2.536 50 0 FFAAHM Cc1oc2c(c1C(=O)N1CCC[C@@H](c3cc(=O)[n-]c(C)n3)C1)C(=O)CCC2 ZINC000244715921 509864680 /nfs/dbraw/zinc/86/46/80/509864680.db2.gz LERDQKBVHWPNLV-CYBMUJFWSA-N -1 3 369.421 2.931 50 0 FFAAHM Cc1cc(CCC[N-]S(=O)(=O)c2ccc(Br)s2)on1 ZINC000253472439 509883149 /nfs/dbraw/zinc/88/31/49/509883149.db2.gz MGELGSDBMMKWOA-UHFFFAOYSA-N -1 3 365.274 2.718 50 0 FFAAHM Cc1ccc2[nH]c(SCC(=O)N[C@H]3C[C@H](c4cc(=O)[n-]cn4)C3)nc2c1 ZINC000253535506 509886397 /nfs/dbraw/zinc/88/63/97/509886397.db2.gz XTTITTZCTSICCL-HAQNSBGRSA-N -1 3 369.450 2.521 50 0 FFAAHM Cc1ccc2nc(SCC(=O)N[C@H]3C[C@H](c4cc(=O)[n-]cn4)C3)[nH]c2c1 ZINC000253535506 509886404 /nfs/dbraw/zinc/88/64/04/509886404.db2.gz XTTITTZCTSICCL-HAQNSBGRSA-N -1 3 369.450 2.521 50 0 FFAAHM Nc1nc([C@H]2C[C@@H](NC(=O)c3cc4c(s3)CCCCC4)C2)cc(=O)[n-]1 ZINC000253535570 509887743 /nfs/dbraw/zinc/88/77/43/509887743.db2.gz FLYVZLACQMZYRD-TXEJJXNPSA-N -1 3 358.467 2.771 50 0 FFAAHM CCc1cc2c(CN3CCC[C@H]3[C@@H](O)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000408512869 513083693 /nfs/dbraw/zinc/08/36/93/513083693.db2.gz BDUTXTKXNRRFAI-SUMWQHHRSA-N -1 3 371.355 2.949 50 0 FFAAHM O=C(c1ccc(-c2ccc(F)cc2)cc1)N1CC(Cn2c([O-])coc2=O)C1 ZINC000575615521 518236184 /nfs/dbraw/zinc/23/61/84/518236184.db2.gz FZIADQLBOFJNCQ-UHFFFAOYSA-N -1 3 368.364 2.544 50 0 FFAAHM CSc1ccc(CC(=O)N2CCC(c3cc(=O)[n-]c(C)n3)CC2)cc1 ZINC000082087780 525982758 /nfs/dbraw/zinc/98/27/58/525982758.db2.gz DQLPRJNXFAMGTM-UHFFFAOYSA-N -1 3 357.479 2.749 50 0 FFAAHM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1C[C@H](O)c1ccccc1 ZINC000736810391 599959662 /nfs/dbraw/zinc/95/96/62/599959662.db2.gz OEXWLDDDODUBEW-UZLBHIALSA-N -1 3 354.450 2.625 50 0 FFAAHM O=C([O-])[C@@H](c1cc2ccccc2s1)N1CCC(N2CCOCC2)CC1 ZINC001529118261 1062170492 /nfs/dbraw/zinc/17/04/92/1062170492.db2.gz HSAUQQJEIABQHY-GOSISDBHSA-N -1 3 360.479 2.824 50 0 FFAAHM CC(C)(CCC(=O)[O-])NC(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000236839736 209206671 /nfs/dbraw/zinc/20/66/71/209206671.db2.gz YOTBQWDHDGPBAH-HNNXBMFYSA-N -1 3 350.434 2.797 50 0 FFAAHM O=C(NCc1cnc(-c2ccccc2)s1)c1ccccc1-c1nnn[n-]1 ZINC000097117332 209171273 /nfs/dbraw/zinc/17/12/73/209171273.db2.gz FTYSCHMFQXVODS-UHFFFAOYSA-N -1 3 362.418 2.920 50 0 FFAAHM O=C(NCc1cnc(-c2ccccc2)s1)c1ccccc1-c1nn[n-]n1 ZINC000097117332 209171278 /nfs/dbraw/zinc/17/12/78/209171278.db2.gz FTYSCHMFQXVODS-UHFFFAOYSA-N -1 3 362.418 2.920 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc[nH]c2=O)S1 ZINC000096117546 209114988 /nfs/dbraw/zinc/11/49/88/209114988.db2.gz WFQJFAIAJOSTPR-SMDDNHRTSA-N -1 3 374.466 2.881 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2cc(F)c(F)c(F)c2)o1 ZINC000096117076 209114743 /nfs/dbraw/zinc/11/47/43/209114743.db2.gz ZTBGEAOLSGTLNU-JTQLQIEISA-N -1 3 372.295 2.604 50 0 FFAAHM O=C(COc1ccc(Cl)cc1Cl)[N-]n1cnc2ccccc2c1=O ZINC000005199624 207086387 /nfs/dbraw/zinc/08/63/87/207086387.db2.gz UEIDEJQGOCFDRD-UHFFFAOYSA-N -1 3 364.188 2.852 50 0 FFAAHM O=c1[n-]nc(SCCOc2ccc(Cl)cc2)n1C[C@@H]1CCCO1 ZINC000007349073 207193469 /nfs/dbraw/zinc/19/34/69/207193469.db2.gz IXNHCBYSYWQSAX-ZDUSSCGKSA-N -1 3 355.847 2.575 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)NC3CC3)c2)cc1 ZINC000008033286 207216912 /nfs/dbraw/zinc/21/69/12/207216912.db2.gz AYJNCNBZNRQGBL-UHFFFAOYSA-N -1 3 360.435 2.697 50 0 FFAAHM O=C(CCC[N-]S(=O)(=O)c1cccs1)NCCCc1ccccc1 ZINC000008754841 207248431 /nfs/dbraw/zinc/24/84/31/207248431.db2.gz VZXKFSGTHHAFNY-UHFFFAOYSA-N -1 3 366.508 2.556 50 0 FFAAHM Cc1c(Cl)cccc1NC(=O)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192435 207261319 /nfs/dbraw/zinc/26/13/19/207261319.db2.gz PRPSHXFXJDDVHV-OAHLLOKOSA-N -1 3 356.813 2.944 50 0 FFAAHM Cc1nnc(NC(=O)c2cnc3c(cccc3C(F)(F)F)c2[O-])s1 ZINC000011027319 207308014 /nfs/dbraw/zinc/30/80/14/207308014.db2.gz KBBDITSERJXLED-UHFFFAOYSA-N -1 3 354.313 2.959 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1cc(F)cc(F)c1 ZINC000010518143 207301836 /nfs/dbraw/zinc/30/18/36/207301836.db2.gz IWAVWXFZEPVBIF-UHFFFAOYSA-N -1 3 363.389 2.688 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1nc(-c2cccnc2)cs1 ZINC000011811032 207321999 /nfs/dbraw/zinc/32/19/99/207321999.db2.gz WUIXQLGOMQLSCN-UHFFFAOYSA-N -1 3 373.463 2.831 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1nc2c(s1)CCCC2 ZINC000011986809 207332980 /nfs/dbraw/zinc/33/29/80/207332980.db2.gz XVGXCQVRUUKQAG-UHFFFAOYSA-N -1 3 350.469 2.648 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)c3cc4c(s3)CCCC4)c2)NC(=O)[N-]C1=O ZINC000040111241 208230005 /nfs/dbraw/zinc/23/00/05/208230005.db2.gz YVBFDYAPTFRXDS-IBGZPJMESA-N -1 3 369.446 2.934 50 0 FFAAHM O=C([O-])CCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000044676299 208317981 /nfs/dbraw/zinc/31/79/81/208317981.db2.gz QFXOLRGPLPIHJC-UHFFFAOYSA-N -1 3 351.756 2.741 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2F)cc1 ZINC000048331791 208401374 /nfs/dbraw/zinc/40/13/74/208401374.db2.gz UZNWIMBVKOPKLW-UHFFFAOYSA-N -1 3 367.398 2.877 50 0 FFAAHM Cc1ncc(C(=O)NCC[C@@]2(c3ccccc3)CCOC(C)(C)C2)c(=O)[n-]1 ZINC000092028444 209013417 /nfs/dbraw/zinc/01/34/17/209013417.db2.gz BJCXSQHOYFAGPU-OAQYLSRUSA-N -1 3 369.465 2.725 50 0 FFAAHM COc1cccc([C@@H]2CN(Cc3cnc(NC(C)C)nc3)C[C@H]2C(=O)[O-])c1 ZINC000092066405 209016386 /nfs/dbraw/zinc/01/63/86/209016386.db2.gz UCQFHCAHMSAKAT-ZWKOTPCHSA-N -1 3 370.453 2.606 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c(C)c1 ZINC000095359572 209028386 /nfs/dbraw/zinc/02/83/86/209028386.db2.gz QNRVNFSAVPVOHF-FQEVSTJZSA-N -1 3 369.465 2.732 50 0 FFAAHM O=C(C1CCC1)N1C[C@@H]2CC[C@H](C1)N(Cc1nc3ccsc3c(=O)[n-]1)C2 ZINC000095367536 209032707 /nfs/dbraw/zinc/03/27/07/209032707.db2.gz WVIQTAUBCKPEGJ-TZMCWYRMSA-N -1 3 372.494 2.620 50 0 FFAAHM Cc1ccc(C(=O)N2CCC3(C[C@H](c4ccccc4)C(=O)N3)CC2)c([O-])c1 ZINC000095374154 209037153 /nfs/dbraw/zinc/03/71/53/209037153.db2.gz QSZJPFWSTNNKSX-GOSISDBHSA-N -1 3 364.445 2.979 50 0 FFAAHM Cc1ccc([C@@H](C(=O)[O-])N2CCC(C(=O)N3CCCCC3)CC2)c(F)c1 ZINC000095377028 209037989 /nfs/dbraw/zinc/03/79/89/209037989.db2.gz IIEGSEXFNOJZGG-SFHVURJKSA-N -1 3 362.445 2.984 50 0 FFAAHM CC(C)(C)c1ccc(-c2ccc(CN3CCN4C(=O)[N-]C(=O)[C@@H]4C3)o2)cc1 ZINC000095467789 209055543 /nfs/dbraw/zinc/05/55/43/209055543.db2.gz UFLKBYANZMUYSQ-KRWDZBQOSA-N -1 3 367.449 2.980 50 0 FFAAHM COC(=O)C[C@@H](c1cccc(OC(F)F)c1)c1oc(C)cc(=O)c1[O-] ZINC000095479971 209058895 /nfs/dbraw/zinc/05/88/95/209058895.db2.gz YABGSCSQOCKGNA-LBPRGKRZSA-N -1 3 354.305 2.950 50 0 FFAAHM O=C(CCn1ccnc1)Nc1cccc(C(=O)Nc2ccccc2[O-])c1 ZINC000095954512 209089195 /nfs/dbraw/zinc/08/91/95/209089195.db2.gz DHCUOISHCZJXGQ-UHFFFAOYSA-N -1 3 350.378 2.870 50 0 FFAAHM CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nnn[n-]4)cc3)c2)C1 ZINC000426382844 263571064 /nfs/dbraw/zinc/57/10/64/263571064.db2.gz AINCSNMBRJJLLV-GOSISDBHSA-N -1 3 363.421 2.785 50 0 FFAAHM CO[C@@H]1CCCN(C(=O)c2cccc(-c3ccc(-c4nn[n-]n4)cc3)c2)C1 ZINC000426382844 263571066 /nfs/dbraw/zinc/57/10/66/263571066.db2.gz AINCSNMBRJJLLV-GOSISDBHSA-N -1 3 363.421 2.785 50 0 FFAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccc(C)cc2)N1 ZINC000000663974 506226689 /nfs/dbraw/zinc/22/66/89/506226689.db2.gz KTYXPKXBLBJAHG-ZDUSSCGKSA-N -1 3 350.362 2.796 50 0 FFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1OC ZINC000000793134 506230827 /nfs/dbraw/zinc/23/08/27/506230827.db2.gz YCCYQWKGDHBUFB-MEDUHNTESA-N -1 3 372.343 2.957 50 0 FFAAHM CC(=O)Nc1cc2cc([N-]S(=O)(=O)c3ccc(C)cc3)ccc2oc1=O ZINC000001040714 506245754 /nfs/dbraw/zinc/24/57/54/506245754.db2.gz FJPBWTZEHBGPSQ-UHFFFAOYSA-N -1 3 372.402 2.861 50 0 FFAAHM Cn1cc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)c2cccnc21 ZINC000065163034 506265600 /nfs/dbraw/zinc/26/56/00/506265600.db2.gz BNKKVRVJMKOSKT-UHFFFAOYSA-N -1 3 355.872 2.809 50 0 FFAAHM CCOC(=O)N[C@@]([N-]c1ccc(F)c(F)c1)(C(=O)OCC)C(F)(F)F ZINC000001650025 506267239 /nfs/dbraw/zinc/26/72/39/506267239.db2.gz IBCXUZHHULLMJR-ZDUSSCGKSA-N -1 3 370.274 2.945 50 0 FFAAHM COC(=O)c1cc(S(=O)(=O)[N-]Cc2ccco2)c(Cl)cc1Cl ZINC000002266652 506276082 /nfs/dbraw/zinc/27/60/82/506276082.db2.gz BXVGRESXGYWDOL-UHFFFAOYSA-N -1 3 364.206 2.852 50 0 FFAAHM CC[C@H](C)[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000054635098 506592391 /nfs/dbraw/zinc/59/23/91/506592391.db2.gz JMTVLVPQHLDTSU-VOJFVSQTSA-N -1 3 367.453 2.709 50 0 FFAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCCO3)cc1 ZINC000008961780 506675150 /nfs/dbraw/zinc/67/51/50/506675150.db2.gz ZWWIXIBCTPLNOO-UHFFFAOYSA-N -1 3 360.435 2.562 50 0 FFAAHM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NC1CCN(Cc2ccccc2)CC1 ZINC000013320383 506937111 /nfs/dbraw/zinc/93/71/11/506937111.db2.gz RWTFGPBWNHEDSV-ZYKFHVCXSA-N -1 3 370.493 2.904 50 0 FFAAHM CCOC([O-])=NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000013986740 506961017 /nfs/dbraw/zinc/96/10/17/506961017.db2.gz CDSYVUSSIBJLEY-UHFFFAOYSA-N -1 3 352.441 2.706 50 0 FFAAHM CCOC(=O)[N-]C(=O)CSc1nnc(-c2cccs2)n1C1CC1 ZINC000013986740 506961024 /nfs/dbraw/zinc/96/10/24/506961024.db2.gz CDSYVUSSIBJLEY-UHFFFAOYSA-N -1 3 352.441 2.706 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1ccccc1F)Nc1cccc(Cl)c1 ZINC000014086276 506964737 /nfs/dbraw/zinc/96/47/37/506964737.db2.gz IXIHARKSYFQNRR-UHFFFAOYSA-N -1 3 356.806 2.786 50 0 FFAAHM Cc1ccccc1C(=O)N1CCC([N-]S(=O)(=O)c2cccs2)CC1 ZINC000014167928 506974539 /nfs/dbraw/zinc/97/45/39/506974539.db2.gz GUPJRMDCUNFJEK-UHFFFAOYSA-N -1 3 364.492 2.640 50 0 FFAAHM CCSc1nnc([C@H](C)[N-]S(=O)(=O)c2ccc(Cl)s2)n1C ZINC000014987814 507008700 /nfs/dbraw/zinc/00/87/00/507008700.db2.gz JGWKFNXTXLZKTQ-ZETCQYMHSA-N -1 3 366.921 2.682 50 0 FFAAHM O=C(NCCNC(=O)c1ccccc1[O-])Nc1ccccc1N1CCCC1 ZINC000056552021 507043318 /nfs/dbraw/zinc/04/33/18/507043318.db2.gz YTMIAEADTSWYDK-UHFFFAOYSA-N -1 3 368.437 2.544 50 0 FFAAHM COC(=O)c1cc(-c2ccccc2[O-])nc2c1c(=O)[nH]c(=S)n2C1CC1 ZINC000020608049 507226477 /nfs/dbraw/zinc/22/64/77/507226477.db2.gz CDSPMZNXBOFODC-UHFFFAOYSA-N -1 3 369.402 2.948 50 0 FFAAHM O=C(Nc1ncccc1[O-])[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000022263255 507286273 /nfs/dbraw/zinc/28/62/73/507286273.db2.gz SUKOYCHXAYSQAG-CYBMUJFWSA-N -1 3 359.813 2.932 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]Cc2c(C)cc(C)cc2C)s1 ZINC000058190887 507381616 /nfs/dbraw/zinc/38/16/16/507381616.db2.gz MZBVVZPEVWBCCO-UHFFFAOYSA-N -1 3 366.508 2.788 50 0 FFAAHM CS(=O)(=O)c1ccccc1S(=O)(=O)[N-][C@@H](c1ccccc1)C1CC1 ZINC000024052325 507388814 /nfs/dbraw/zinc/38/88/14/507388814.db2.gz LKQKJKHUMYHGNB-KRWDZBQOSA-N -1 3 365.476 2.520 50 0 FFAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccccc1Cl)c1cccs1 ZINC000024485688 507416813 /nfs/dbraw/zinc/41/68/13/507416813.db2.gz KKJACMNKEJOAKQ-NSHDSACASA-N -1 3 359.856 2.984 50 0 FFAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccccc1Cl)c1cccs1 ZINC000024485681 507417051 /nfs/dbraw/zinc/41/70/51/507417051.db2.gz KKJACMNKEJOAKQ-LLVKDONJSA-N -1 3 359.856 2.984 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)C ZINC000048344522 507503512 /nfs/dbraw/zinc/50/35/12/507503512.db2.gz MGOUYMHJTUYHQD-MRVPVSSYSA-N -1 3 353.271 2.575 50 0 FFAAHM COc1cc(Cl)cc2cc(C(=O)N3CCc4c(=O)[n-]c(C)nc4C3)oc21 ZINC000071750952 507710495 /nfs/dbraw/zinc/71/04/95/507710495.db2.gz LKYDYJFVYQLCHF-UHFFFAOYSA-N -1 3 373.796 2.685 50 0 FFAAHM COCc1ncc(CN2CCC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)cn1 ZINC000072138866 507754718 /nfs/dbraw/zinc/75/47/18/507754718.db2.gz QSDVADUYGWGTOB-MRXNPFEDSA-N -1 3 355.438 2.776 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000072312122 507775551 /nfs/dbraw/zinc/77/55/51/507775551.db2.gz INESAZZBYNDGFC-SFHVURJKSA-N -1 3 373.796 2.656 50 0 FFAAHM CCOc1ccc(-c2ccnc(N[C@@H]3CCCN(C)C3)n2)cc1C(=O)[O-] ZINC000072431456 507789984 /nfs/dbraw/zinc/78/99/84/507789984.db2.gz IKYJDFSHGURNCW-CQSZACIVSA-N -1 3 356.426 2.747 50 0 FFAAHM O=C(NCCc1cc(N2CCCC2)ncn1)c1c[n-]nc1-c1cccs1 ZINC000072473249 507795333 /nfs/dbraw/zinc/79/53/33/507795333.db2.gz OAOGKKGOHXUXTP-UHFFFAOYSA-N -1 3 368.466 2.501 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]C[C@@H]1CCCN1c1ccccc1 ZINC000211121602 509240270 /nfs/dbraw/zinc/24/02/70/509240270.db2.gz KULCTUJVCZOOPN-INIZCTEOSA-N -1 3 364.442 2.782 50 0 FFAAHM COc1ccc(CN2CCCN(c3ccccc3)CC2)cc1OCC(=O)[O-] ZINC000216138572 509258373 /nfs/dbraw/zinc/25/83/73/509258373.db2.gz NKSYKSNARSFPDL-UHFFFAOYSA-N -1 3 370.449 2.871 50 0 FFAAHM CNC(=O)c1cccc(CC[N-]S(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000252508072 509845471 /nfs/dbraw/zinc/84/54/71/509845471.db2.gz XBWXCFJVKUODRN-UHFFFAOYSA-N -1 3 372.899 2.591 50 0 FFAAHM C[C@@H](C1CC1)n1[n-]ccc1=NC(=O)CSc1nc2ccccc2n1C ZINC000252507100 509846104 /nfs/dbraw/zinc/84/61/04/509846104.db2.gz YAAZCCKCVBUXAH-LBPRGKRZSA-N -1 3 355.467 2.894 50 0 FFAAHM C[C@@H](NC(=O)c1c[n-]c2ccc(F)cc2c1=O)c1nnc2ccccn21 ZINC000253496398 509885887 /nfs/dbraw/zinc/88/58/87/509885887.db2.gz PMSHYXKXOQMKEN-SNVBAGLBSA-N -1 3 351.341 2.613 50 0 FFAAHM Cc1nnc(N[C@H]2C[C@@H](c3cc(=O)[n-]c(N(C)C)n3)C2)c2ccccc12 ZINC000253535252 509886615 /nfs/dbraw/zinc/88/66/15/509886615.db2.gz MFGJFQOSALWVQH-BETUJISGSA-N -1 3 350.426 2.858 50 0 FFAAHM COCc1cc(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)ccc1OC ZINC000426563115 513981997 /nfs/dbraw/zinc/98/19/97/513981997.db2.gz CFPPWNFKKFNXBK-MRXNPFEDSA-N -1 3 373.453 2.502 50 0 FFAAHM COCC[C@H]1CCCCN1C(=O)c1ccc(-c2c(C)[nH]c(=O)[n-]c2=O)cc1 ZINC000426581286 513985662 /nfs/dbraw/zinc/98/56/62/513985662.db2.gz PQGQOQAJJLWCTE-MRXNPFEDSA-N -1 3 371.437 2.894 50 0 FFAAHM COc1cccc(Cn2[n-]ccc2=NC(=O)c2ccccc2F)c1OC ZINC000606348193 521032812 /nfs/dbraw/zinc/03/28/12/521032812.db2.gz ZALJCWFGZNUZQF-UHFFFAOYSA-N -1 3 355.369 2.762 50 0 FFAAHM CN(C)Cc1csc(CN2CCN(c3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000097594882 536060626 /nfs/dbraw/zinc/06/06/26/536060626.db2.gz NAHCAXCCJUTNKY-UHFFFAOYSA-N -1 3 359.495 2.830 50 0 FFAAHM CCCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1)CC(=O)N2 ZINC000046074165 570924079 /nfs/dbraw/zinc/92/40/79/570924079.db2.gz YPFHDXRDPUSQSA-GFCCVEGCSA-N -1 3 372.450 2.727 50 0 FFAAHM Cc1nnc(SCCC[N-]S(=O)(=O)c2ccc(F)cc2F)s1 ZINC000670440776 571348600 /nfs/dbraw/zinc/34/86/00/571348600.db2.gz NPUAJPYFQURSKR-UHFFFAOYSA-N -1 3 365.452 2.585 50 0 FFAAHM CCOc1ccc(N2C(=O)C(=C3C(=O)Nc4ccccc43)[N-]C2=S)cc1 ZINC000100882006 209218997 /nfs/dbraw/zinc/21/89/97/209218997.db2.gz NQAWVCVNPBUKMT-NXVVXOECSA-N -1 3 365.414 2.670 50 0 FFAAHM O=C([O-])COc1ccc(-c2ccccn2)cc1CN1CCC[C@@H](O)CC1 ZINC000097756313 209195240 /nfs/dbraw/zinc/19/52/40/209195240.db2.gz BWIDFXWCBOMSJF-QGZVFWFLSA-N -1 3 356.422 2.559 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(/C=C\C(=O)N3CCC3)cc2)cc1 ZINC000096920556 209161325 /nfs/dbraw/zinc/16/13/25/209161325.db2.gz MESWOIWEEOKYAP-XGICHPGQSA-N -1 3 372.446 2.742 50 0 FFAAHM O=C(CCc1nc2ccccc2s1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000096138118 209119405 /nfs/dbraw/zinc/11/94/05/209119405.db2.gz WWGGTTPEBLUTIL-CYBMUJFWSA-N -1 3 368.462 2.718 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cnn(C)c2)S1 ZINC000096116618 209115012 /nfs/dbraw/zinc/11/50/12/209115012.db2.gz SXQLFCDVRPDAOA-TZMCWYRMSA-N -1 3 361.471 2.926 50 0 FFAAHM Cc1cc(C(=O)CSc2nc3nc(C)cc(C)c3c(=O)[n-]2)c(C)n1C ZINC000016045926 220176382 /nfs/dbraw/zinc/17/63/82/220176382.db2.gz ZVXANLLJEBQCGD-UHFFFAOYSA-N -1 3 356.451 2.865 50 0 FFAAHM Cc1ccsc1CNc1ccccc1C(=O)NCc1cc(=O)[n-]cn1 ZINC000023311761 206748500 /nfs/dbraw/zinc/74/85/00/206748500.db2.gz MCXNSTSDQLTSEV-UHFFFAOYSA-N -1 3 354.435 2.682 50 0 FFAAHM O=C([N-]n1c(=O)c2ccccc2nc1-c1ccc(F)cc1)c1cccnc1 ZINC000005198511 207086159 /nfs/dbraw/zinc/08/61/59/207086159.db2.gz MNNNQYHZRAGBKS-UHFFFAOYSA-N -1 3 360.348 2.982 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)=O)ccc1Cl ZINC000006608913 207149648 /nfs/dbraw/zinc/14/96/48/207149648.db2.gz KSCWJRYGKOGGHL-UHFFFAOYSA-N -1 3 366.826 2.703 50 0 FFAAHM O=c1nc(Cn2nnc(-c3ccccc3)n2)[n-]c2sc3c(c21)CCCC3 ZINC000006649023 207151419 /nfs/dbraw/zinc/15/14/19/207151419.db2.gz QZCCEBCAYCFLQM-UHFFFAOYSA-N -1 3 364.434 2.565 50 0 FFAAHM C[C@H](Sc1nc2ccccc2c(=O)[n-]1)C(=O)Nc1ccc2c(c1)OCO2 ZINC000007276774 207191790 /nfs/dbraw/zinc/19/17/90/207191790.db2.gz LVNLKUAOUTYFFX-JTQLQIEISA-N -1 3 369.402 2.771 50 0 FFAAHM CCC(CC)NC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000009377776 207270156 /nfs/dbraw/zinc/27/01/56/207270156.db2.gz OZWHVIASAJKJPX-UHFFFAOYSA-N -1 3 371.466 2.506 50 0 FFAAHM O=C1C[C@H](Sc2nnc(-c3ccccc3[O-])o2)C(=O)N1c1ccccc1 ZINC000013124677 207451335 /nfs/dbraw/zinc/45/13/35/207451335.db2.gz LVJLMFNHFSOLJO-AWEZNQCLSA-N -1 3 367.386 2.866 50 0 FFAAHM COc1ccc(CCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)cc1 ZINC000033276290 208080560 /nfs/dbraw/zinc/08/05/60/208080560.db2.gz JYBCDAJZBZDIGF-UHFFFAOYSA-N -1 3 373.434 2.902 50 0 FFAAHM CN1OC[C@@H](S(=O)(=O)[N-]C2CCCCC2)[C@H]1c1cccc(F)c1F ZINC000034739464 208107472 /nfs/dbraw/zinc/10/74/72/208107472.db2.gz QVZMMGOIBNMXQW-GDBMZVCRSA-N -1 3 360.426 2.504 50 0 FFAAHM Cc1cccc(Cn2cc(Cl)c([N-]C(=O)c3nc4ncccn4n3)n2)c1 ZINC000036618812 208167660 /nfs/dbraw/zinc/16/76/60/208167660.db2.gz ZVELRWROGQSXNT-UHFFFAOYSA-N -1 3 367.800 2.583 50 0 FFAAHM Cc1ccc(C(=O)Nc2cc(N3CCCS3(=O)=O)ccc2[O-])s1 ZINC000047277311 208376306 /nfs/dbraw/zinc/37/63/06/208376306.db2.gz SVJWUVBLDHLIGB-UHFFFAOYSA-N -1 3 352.437 2.554 50 0 FFAAHM COc1cc2n[n-]nc2cc1C(=O)N(C)CCOc1ccc(Cl)cc1 ZINC000096012257 209097036 /nfs/dbraw/zinc/09/70/36/209097036.db2.gz JRNGJJWJEOKJJD-UHFFFAOYSA-N -1 3 360.801 2.771 50 0 FFAAHM O=C([O-])[C@@H]1CN(CCC(F)(F)C(F)F)C[C@H]1c1ccc2c(c1)OCO2 ZINC000092037201 209012524 /nfs/dbraw/zinc/01/25/24/209012524.db2.gz UQAMKSZQDCEMNL-WDEREUQCSA-N -1 3 363.307 2.806 50 0 FFAAHM COc1ccccc1[C@@H]1CNC(=O)c2nc(-c3nc(C)cc(C)n3)[n-]c2C1 ZINC000095355491 209025012 /nfs/dbraw/zinc/02/50/12/209025012.db2.gz KYNVKGROEBANNX-ZDUSSCGKSA-N -1 3 363.421 2.562 50 0 FFAAHM COc1ccccc1[C@@H]1CNC(=O)c2[n-]c(-c3nc(C)cc(C)n3)nc2C1 ZINC000095355491 209025016 /nfs/dbraw/zinc/02/50/16/209025016.db2.gz KYNVKGROEBANNX-ZDUSSCGKSA-N -1 3 363.421 2.562 50 0 FFAAHM Cn1c(Cl)c(Cl)cc1C(=O)NCCCNC(=O)c1cccc([O-])c1 ZINC000095393769 209048144 /nfs/dbraw/zinc/04/81/44/209048144.db2.gz DANHJPAHYPXETR-UHFFFAOYSA-N -1 3 370.236 2.587 50 0 FFAAHM C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)c1cc([O-])ccc1Cl ZINC000225474671 132284876 /nfs/dbraw/zinc/28/48/76/132284876.db2.gz HMEIIWIRTHDCLG-OAHLLOKOSA-N -1 3 373.884 2.986 50 0 FFAAHM CCc1cc(N2CCC(c3cc(=O)[n-]c(C)n3)CC2)n2nc(C)c(C)c2n1 ZINC000072454313 136148553 /nfs/dbraw/zinc/14/85/53/136148553.db2.gz YOXZQPQOWOZDMS-UHFFFAOYSA-N -1 3 366.469 2.684 50 0 FFAAHM CN(C)C(=O)CSc1nnc(-c2ccccc2[O-])n1Cc1ccccc1 ZINC000000645772 506226861 /nfs/dbraw/zinc/22/68/61/506226861.db2.gz YVRNYSNTPKWKQF-UHFFFAOYSA-N -1 3 368.462 2.879 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]CCc2ccccc2)c(OC)cc1Cl ZINC000000936492 506240537 /nfs/dbraw/zinc/24/05/37/506240537.db2.gz YPDGNDXDDWHSCS-UHFFFAOYSA-N -1 3 355.843 2.878 50 0 FFAAHM CN1CCCn2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)cc2C1=O ZINC000065258731 506277410 /nfs/dbraw/zinc/27/74/10/506277410.db2.gz PCLCYTKEJSKROH-UHFFFAOYSA-N -1 3 371.821 2.557 50 0 FFAAHM O=C(Cc1nnc([N-]C(=O)c2cccs2)s1)NCc1ccccc1 ZINC000002845185 506297306 /nfs/dbraw/zinc/29/73/06/506297306.db2.gz VLBJVKUWRZAUJM-UHFFFAOYSA-N -1 3 358.448 2.711 50 0 FFAAHM COc1cc2c(cc1OC)C1=C[C@]([O-])(C(F)(F)F)C(=O)N1C(C)(C)C2 ZINC000003103087 506309610 /nfs/dbraw/zinc/30/96/10/506309610.db2.gz HTBFHVVCSOHTRH-MRXNPFEDSA-N -1 3 357.328 2.515 50 0 FFAAHM O=C(CSc1nc2nncc-2c(O)[n-]1)Nc1cccc(C(F)(F)F)c1 ZINC000004249628 506366642 /nfs/dbraw/zinc/36/66/42/506366642.db2.gz LJLVGUIUBLYPBL-UHFFFAOYSA-N -1 3 369.328 2.808 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(C)c(N3CCCC3=O)c2)cc1 ZINC000005329543 506435949 /nfs/dbraw/zinc/43/59/49/506435949.db2.gz FPDIIIRCRWKHPA-UHFFFAOYSA-N -1 3 360.435 2.931 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(OC)cc2C)cc1OC ZINC000007050757 506528975 /nfs/dbraw/zinc/52/89/75/506528975.db2.gz CRMFKQHVQZHPMQ-UHFFFAOYSA-N -1 3 367.423 2.830 50 0 FFAAHM CCOc1cc([C@@H]2NC(=N)Nc3nc4ccccc4n32)cc(Cl)c1[O-] ZINC000007127263 506537024 /nfs/dbraw/zinc/53/70/24/506537024.db2.gz GBEVRMFQBDDIGS-OAHLLOKOSA-N -1 3 357.801 2.890 50 0 FFAAHM CC(C)[C@H](NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O)c1ccccc1 ZINC000012886118 506911435 /nfs/dbraw/zinc/91/14/35/506911435.db2.gz RNGIYWTXGJLNCB-IBGZPJMESA-N -1 3 365.433 2.593 50 0 FFAAHM COC[C@H](C)NC(=O)c1sc2[n-]c(Cc3ccccc3)nc(=O)c2c1C ZINC000022461873 507293605 /nfs/dbraw/zinc/29/36/05/507293605.db2.gz FTVZPUPWXBISLD-NSHDSACASA-N -1 3 371.462 2.649 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)C[C@@H]3CCc4ccccc43)C2)cc(=O)[n-]1 ZINC000023430444 507354262 /nfs/dbraw/zinc/35/42/62/507354262.db2.gz SXQRAAGYYHHQBO-DLBZAZTESA-N -1 3 351.450 2.904 50 0 FFAAHM Cc1nc(C)c(CCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(=O)[n-]1 ZINC000023641313 507363671 /nfs/dbraw/zinc/36/36/71/507363671.db2.gz JWAMNXBLSUUQGW-UHFFFAOYSA-N -1 3 355.316 2.857 50 0 FFAAHM COc1ccc(S(=O)(=O)C(F)(F)F)cc1[N-]C(=O)c1cc(C)no1 ZINC000058226670 507390519 /nfs/dbraw/zinc/39/05/19/507390519.db2.gz IJTPPVRRTYOXSN-UHFFFAOYSA-N -1 3 364.301 2.537 50 0 FFAAHM CN(Cc1ccc(Cl)cc1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000024665840 507427767 /nfs/dbraw/zinc/42/77/67/507427767.db2.gz AGVSCKZYSKCUFG-UHFFFAOYSA-N -1 3 371.824 2.804 50 0 FFAAHM CC(C)CNC(=O)c1cc(S(=O)(=O)[N-]C2CC2)c(Cl)cc1Cl ZINC000024928212 507449160 /nfs/dbraw/zinc/44/91/60/507449160.db2.gz CIZADUCMRYNXMY-UHFFFAOYSA-N -1 3 365.282 2.820 50 0 FFAAHM CCc1ccc(C(=O)N2CCN(C(=O)c3cc(C)ccc3[O-])CC2)cc1 ZINC000025466017 507504054 /nfs/dbraw/zinc/50/40/54/507504054.db2.gz OMBCWEYGZWCEHX-UHFFFAOYSA-N -1 3 352.434 2.861 50 0 FFAAHM CC(C)CC[C@@H](C)[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000027938344 507693979 /nfs/dbraw/zinc/69/39/79/507693979.db2.gz SOKXMLXQXXGNLU-LLVKDONJSA-N -1 3 367.920 2.847 50 0 FFAAHM COc1ccc2[nH]c(=O)c([C@H]3CC(=O)Nc4c3c(=O)[n-]n4C(C)C)cc2c1 ZINC000071280627 507698362 /nfs/dbraw/zinc/69/83/62/507698362.db2.gz PSKKXIMHKFOMIA-GFCCVEGCSA-N -1 3 368.393 2.731 50 0 FFAAHM Cc1ccc([O-])c(C(=O)N[C@H]2CC(=O)N(CCCc3ccccc3)C2)c1 ZINC000072143495 507756993 /nfs/dbraw/zinc/75/69/93/507756993.db2.gz WVLRAVUQENGRTK-KRWDZBQOSA-N -1 3 352.434 2.664 50 0 FFAAHM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1cccc(F)c1)CC2 ZINC000072410880 507785482 /nfs/dbraw/zinc/78/54/82/507785482.db2.gz DVQMGAGMYDPHRB-QGZVFWFLSA-N -1 3 360.429 2.503 50 0 FFAAHM O=C([O-])[C@@H]1c2nc[nH]c2CCN1Cc1nc(-c2ccc(F)cc2)cs1 ZINC000072426280 507788237 /nfs/dbraw/zinc/78/82/37/507788237.db2.gz FXOAFIRWMVUKEI-INIZCTEOSA-N -1 3 358.398 2.856 50 0 FFAAHM Cc1nc([C@@H]2CCCN(Cc3cnc(-c4cccs4)nc3)C2)cc(=O)[n-]1 ZINC000072431490 507790044 /nfs/dbraw/zinc/79/00/44/507790044.db2.gz QDMJXLLOMLNVGJ-OAHLLOKOSA-N -1 3 367.478 2.976 50 0 FFAAHM O=S(=O)([N-]Cc1ccccc1N1CCCC1)c1ccc(Cl)nc1 ZINC000079949142 508018162 /nfs/dbraw/zinc/01/81/62/508018162.db2.gz BDFOCPNLAIZVIN-UHFFFAOYSA-N -1 3 351.859 2.814 50 0 FFAAHM Cc1cnn(C2(C(=O)[O-])CCN(Cc3ccc(-c4cc[nH]n4)s3)CC2)c1 ZINC000077459938 508319340 /nfs/dbraw/zinc/31/93/40/508319340.db2.gz DPXOBJCOOFRIAY-UHFFFAOYSA-N -1 3 371.466 2.719 50 0 FFAAHM O=C([O-])COc1ccc(CN2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470925 508320498 /nfs/dbraw/zinc/32/04/98/508320498.db2.gz XDENZOSLNLVRKX-NRFANRHFSA-N -1 3 372.465 2.517 50 0 FFAAHM O=S(=O)([N-][C@H]1CCCC[C@@H]1O)c1ccc(Cl)cc1C(F)(F)F ZINC000120480463 509006191 /nfs/dbraw/zinc/00/61/91/509006191.db2.gz FJEDDPMTHGFDEW-QWRGUYRKSA-N -1 3 357.781 2.941 50 0 FFAAHM COc1cc(C(=O)N[C@@H](c2ccc3c(c2)CCO3)C2CC(O)C2)ccc1[O-] ZINC000220429836 509299858 /nfs/dbraw/zinc/29/98/58/509299858.db2.gz LIGDVZUOKGILTG-PMTKGXAQSA-N -1 3 369.417 2.578 50 0 FFAAHM Cc1csc(C2([N-]S(=O)(=O)c3cccc4c3OCCO4)CCC2)n1 ZINC000267044702 509322677 /nfs/dbraw/zinc/32/26/77/509322677.db2.gz NBKJTRADUZNIET-UHFFFAOYSA-N -1 3 366.464 2.580 50 0 FFAAHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000170610705 509679404 /nfs/dbraw/zinc/67/94/04/509679404.db2.gz DQGGKZHQHZEOFR-WDEREUQCSA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000170610705 509679411 /nfs/dbraw/zinc/67/94/11/509679411.db2.gz DQGGKZHQHZEOFR-WDEREUQCSA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000170610705 509679419 /nfs/dbraw/zinc/67/94/19/509679419.db2.gz DQGGKZHQHZEOFR-WDEREUQCSA-N -1 3 356.357 2.520 50 0 FFAAHM CN(C)Cc1ccc(S(=O)(=O)[N-]c2ccnn2Cc2ccccc2)cc1 ZINC000170609246 509680155 /nfs/dbraw/zinc/68/01/55/509680155.db2.gz UBFTYKYXSDANSD-UHFFFAOYSA-N -1 3 370.478 2.794 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]CCn1nc(C)c(-c2ccccc2)c1C ZINC000238952747 509836028 /nfs/dbraw/zinc/83/60/28/509836028.db2.gz XHCJFWWDHOCELN-UHFFFAOYSA-N -1 3 374.466 2.750 50 0 FFAAHM Cc1ccc(-n2cccn2)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000241644733 509843573 /nfs/dbraw/zinc/84/35/73/509843573.db2.gz PSYWQMUCZDZDLH-UHFFFAOYSA-N -1 3 355.419 2.916 50 0 FFAAHM O=C(N[C@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1c[n-]c2c(F)cccc2c1=O ZINC000253534857 509885620 /nfs/dbraw/zinc/88/56/20/509885620.db2.gz LSLGEABPSZZGLG-PRXAMGSTSA-N -1 3 367.380 2.717 50 0 FFAAHM CN1C[C@@]2(CCN(C(=O)c3ccc(-c4cc(F)ccc4[O-])cc3)C2)OC1=O ZINC000426546037 513976949 /nfs/dbraw/zinc/97/69/49/513976949.db2.gz ANUFAHJDQHXMAX-HXUWFJFHSA-N -1 3 370.380 2.865 50 0 FFAAHM COc1ccc(Cn2[n-]ccc2=NC(=O)c2ccc(F)cc2)c(OC)c1 ZINC000606348203 521032882 /nfs/dbraw/zinc/03/28/82/521032882.db2.gz PNHJGOORQBXDPB-UHFFFAOYSA-N -1 3 355.369 2.762 50 0 FFAAHM COc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3OC)C2)c([O-])c1 ZINC000083927857 523706943 /nfs/dbraw/zinc/70/69/43/523706943.db2.gz VSUDGGPMZMMLJC-AWEZNQCLSA-N -1 3 356.422 2.666 50 0 FFAAHM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)c1 ZINC000003435997 534907804 /nfs/dbraw/zinc/90/78/04/534907804.db2.gz VVTGRDQJIXZMQC-UHFFFAOYSA-N -1 3 360.435 2.527 50 0 FFAAHM O=c1[n-]c(NCC[C@@H](c2ccco2)c2ccc(F)cc2)nc2c1CCNC2 ZINC000082098895 527439543 /nfs/dbraw/zinc/43/95/43/527439543.db2.gz OTTYTVQKRVGZKW-OAHLLOKOSA-N -1 3 368.412 2.782 50 0 FFAAHM O=C(Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O)Nc1ccc(F)cc1F ZINC000101800985 570823678 /nfs/dbraw/zinc/82/36/78/570823678.db2.gz IFZYEVIYIISPPB-UHFFFAOYSA-N -1 3 372.306 2.885 50 0 FFAAHM N#C/C(=C/c1ccc([O-])cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000000941911 570878371 /nfs/dbraw/zinc/87/83/71/570878371.db2.gz FKYAMPRFDCKJCH-XFXZXTDPSA-N -1 3 367.430 2.977 50 0 FFAAHM COc1ccc(-c2ccc(C(=O)NCCc3nc(C)cc(=O)[n-]3)o2)cc1 ZINC000824689331 999250336 /nfs/dbraw/zinc/25/03/36/999250336.db2.gz WAVBWECPUKNHPG-UHFFFAOYSA-N -1 3 353.378 2.732 50 0 FFAAHM Cc1cccc([C@@H](C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)N(C)C)c1 ZINC000952978406 1011023063 /nfs/dbraw/zinc/02/30/63/1011023063.db2.gz LVKIRESCYRCORR-INIZCTEOSA-N -1 3 352.398 2.542 50 0 FFAAHM Cc1cccc([C@@H](C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)N(C)C)c1 ZINC000952978406 1011023067 /nfs/dbraw/zinc/02/30/67/1011023067.db2.gz LVKIRESCYRCORR-INIZCTEOSA-N -1 3 352.398 2.542 50 0 FFAAHM CC(C)Cn1cncc1CN1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091643470 1026930827 /nfs/dbraw/zinc/93/08/27/1026930827.db2.gz SQWDNIWXXOKKCQ-DLBZAZTESA-N -1 3 371.437 2.568 50 0 FFAAHM CCOC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(CC)cc2)cc1 ZINC000001144867 219380280 /nfs/dbraw/zinc/38/02/80/219380280.db2.gz KXKBLGOOFBJWFU-UHFFFAOYSA-N -1 3 363.435 2.992 50 0 FFAAHM CC(C)n1cnc(S(=O)(=O)[N-]CC[C@H](O)c2cccc(Cl)c2)c1 ZINC000225612038 209822027 /nfs/dbraw/zinc/82/20/27/209822027.db2.gz DEFWBETVEDNSTQ-AWEZNQCLSA-N -1 3 357.863 2.519 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1 ZINC000048332716 209330412 /nfs/dbraw/zinc/33/04/12/209330412.db2.gz BANYZWPGXXCAFN-UHFFFAOYSA-N -1 3 353.371 2.568 50 0 FFAAHM O=C1[C@@H]2C(c3ccccc3Cl)=NOC2=C([O-])N1c1ccc(F)cc1F ZINC000101505460 209227130 /nfs/dbraw/zinc/22/71/30/209227130.db2.gz KTDBRMZNRBYTDU-UKRRQHHQSA-N -1 3 362.719 2.911 50 0 FFAAHM O=S(=O)([N-]C[C@@H]1CCOc2ccccc2C1)c1ccc(-c2cc[nH]n2)o1 ZINC000097527344 209184706 /nfs/dbraw/zinc/18/47/06/209184706.db2.gz KZGJCEKXILJYKW-CYBMUJFWSA-N -1 3 373.434 2.589 50 0 FFAAHM CCOC(=O)/C=C\c1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000096930715 209162652 /nfs/dbraw/zinc/16/26/52/209162652.db2.gz PNFSFXZWNOENJG-YHYXMXQVSA-N -1 3 373.430 2.999 50 0 FFAAHM O=C(COc1ccccc1F)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000013006062 220051662 /nfs/dbraw/zinc/05/16/62/220051662.db2.gz IMQMLIXBFWAXLU-UHFFFAOYSA-N -1 3 372.396 2.787 50 0 FFAAHM CCCCNC(=O)Nc1ccc([C@@]([O-])(C(=O)OCC)C(F)(F)F)cc1 ZINC000002050172 206899759 /nfs/dbraw/zinc/89/97/59/206899759.db2.gz RHJNDRLTRJJMQL-OAHLLOKOSA-N -1 3 362.348 2.921 50 0 FFAAHM O=S(=O)([N-]CCc1csc(-c2cccnc2)n1)c1cccs1 ZINC000004166895 207004283 /nfs/dbraw/zinc/00/42/83/207004283.db2.gz GQSMXUUSUPQFLX-UHFFFAOYSA-N -1 3 351.478 2.788 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)cc2C)N1 ZINC000004725116 207041698 /nfs/dbraw/zinc/04/16/98/207041698.db2.gz XAYCNEOBPPJVNR-ZDUSSCGKSA-N -1 3 350.724 2.886 50 0 FFAAHM Cc1cc(N2C(=O)c3ccc(C(=O)Nc4ccccc4[O-])cc3C2=O)no1 ZINC000004827987 207053278 /nfs/dbraw/zinc/05/32/78/207053278.db2.gz OBMOZZGKEOKXDJ-UHFFFAOYSA-N -1 3 363.329 2.742 50 0 FFAAHM CCCC(=O)N[C@@]([N-]c1cccc(F)c1)(C(=O)OCC)C(F)(F)F ZINC000005645496 207110331 /nfs/dbraw/zinc/11/03/31/207110331.db2.gz VYPPMLOVIKAVLX-AWEZNQCLSA-N -1 3 350.312 2.976 50 0 FFAAHM COC(=O)c1sc2[n-]c(Cc3ccc(OC)c(OC)c3)nc(=O)c2c1C ZINC000006187756 207133063 /nfs/dbraw/zinc/13/30/63/207133063.db2.gz AVHXXVSLHNCXPP-UHFFFAOYSA-N -1 3 374.418 2.688 50 0 FFAAHM CCCC[N-]S(=O)(=O)c1cc(OC)c(Br)cc1OC ZINC000011566041 207315312 /nfs/dbraw/zinc/31/53/12/207315312.db2.gz DHUHMXMBEWHHJQ-UHFFFAOYSA-N -1 3 352.250 2.545 50 0 FFAAHM Cc1c(Cl)cccc1NC(=O)C=C1[N-]S(=O)(=O)c2ccccc2N1 ZINC000015826738 207567976 /nfs/dbraw/zinc/56/79/76/207567976.db2.gz DHXLEKPJNMINPG-UHFFFAOYSA-N -1 3 363.826 2.999 50 0 FFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc(C3(C(=O)NC)CC3)cc2)cc1 ZINC000033274856 208080572 /nfs/dbraw/zinc/08/05/72/208080572.db2.gz PCUCPLCSUPGMHU-UHFFFAOYSA-N -1 3 374.462 2.664 50 0 FFAAHM O=C([N-]c1ccc(Cl)cn1)c1ccc(S(=O)(=O)N2CCCCC2)o1 ZINC000036391154 208162533 /nfs/dbraw/zinc/16/25/33/208162533.db2.gz XRBKHAPSVLCESM-UHFFFAOYSA-N -1 3 369.830 2.755 50 0 FFAAHM COc1ccc2[n-]cc(C(=O)Nc3ccc(NC(C)=O)cc3)c(=O)c2c1 ZINC000039962785 208213171 /nfs/dbraw/zinc/21/31/71/208213171.db2.gz CHNLUHKXOMNOPI-UHFFFAOYSA-N -1 3 351.362 2.747 50 0 FFAAHM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(Cc3ccc(O)cc3)CC2)n1 ZINC000072447475 208864259 /nfs/dbraw/zinc/86/42/59/208864259.db2.gz UDHWPOITZZHYCY-UHFFFAOYSA-N -1 3 357.454 2.962 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)cc1OC ZINC000095357727 209026459 /nfs/dbraw/zinc/02/64/59/209026459.db2.gz IWGAVJOHECTMPJ-IBGZPJMESA-N -1 3 371.433 2.813 50 0 FFAAHM COCCN1C[C@H]2CC[C@@H]1CN(c1cc(C)nc(-c3ccccc3[O-])n1)C2 ZINC000095374260 209036318 /nfs/dbraw/zinc/03/63/18/209036318.db2.gz NDHJHVQCZABJGJ-IAGOWNOFSA-N -1 3 368.481 2.705 50 0 FFAAHM COc1cc(C(=O)N2CC(=O)N(c3ccc(C)cc3)C[C@H]2C)ccc1[O-] ZINC000082139024 132196965 /nfs/dbraw/zinc/19/69/65/132196965.db2.gz DANUQTOOXAKBJY-CQSZACIVSA-N -1 3 354.406 2.587 50 0 FFAAHM COc1ccc(C(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1OC ZINC000000793133 506231892 /nfs/dbraw/zinc/23/18/92/506231892.db2.gz YCCYQWKGDHBUFB-BZNIZROVSA-N -1 3 372.343 2.957 50 0 FFAAHM COC(=O)[C@@]([N-]c1ccc(F)cc1)(NC(=O)OC(C)C)C(F)(F)F ZINC000002342752 506277489 /nfs/dbraw/zinc/27/74/89/506277489.db2.gz SCOAIVSIXCHTTG-CYBMUJFWSA-N -1 3 352.284 2.804 50 0 FFAAHM O=C([O-])[C@H](CC(=O)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 ZINC000002571031 506283681 /nfs/dbraw/zinc/28/36/81/506283681.db2.gz ADJIYMBLMNVOCR-AWEZNQCLSA-N -1 3 361.781 2.885 50 0 FFAAHM Cc1ccc(CNC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000003907490 506353025 /nfs/dbraw/zinc/35/30/25/506353025.db2.gz DNHIBKHNRNSXCV-INIZCTEOSA-N -1 3 366.508 2.676 50 0 FFAAHM CCN(CC)C(=O)c1sc2[n-]c(=O)n(-c3ccccc3)c(=O)c2c1C ZINC000003906957 506353279 /nfs/dbraw/zinc/35/32/79/506353279.db2.gz MARNPLAAJKOEMV-UHFFFAOYSA-N -1 3 357.435 2.531 50 0 FFAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3cc(F)ccc3F)cc3c2N1CC3 ZINC000005153519 506425741 /nfs/dbraw/zinc/42/57/41/506425741.db2.gz RBZNGGLTYCNCBX-UHFFFAOYSA-N -1 3 364.373 2.601 50 0 FFAAHM Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(-c3nnn[n-]3)c2)c1 ZINC000055108844 506678514 /nfs/dbraw/zinc/67/85/14/506678514.db2.gz VNKJGOKILYFSTF-CQSZACIVSA-N -1 3 351.410 2.567 50 0 FFAAHM Cc1ccc(C)c(O[C@H](C)C(=O)NCc2cccc(-c3nn[n-]n3)c2)c1 ZINC000055108844 506678521 /nfs/dbraw/zinc/67/85/21/506678521.db2.gz VNKJGOKILYFSTF-CQSZACIVSA-N -1 3 351.410 2.567 50 0 FFAAHM COCCCNC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000009508517 506699900 /nfs/dbraw/zinc/69/99/00/506699900.db2.gz AGBNQRSMGUJWND-UHFFFAOYSA-N -1 3 356.448 2.666 50 0 FFAAHM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2Cl)ccc1OC ZINC000013679163 506950801 /nfs/dbraw/zinc/95/08/01/506950801.db2.gz ZDXJBWXXHSFGBX-UHFFFAOYSA-N -1 3 354.815 2.509 50 0 FFAAHM COc1ccc([N+](=O)[O-])cc1C=N[N-]c1nnc2c3ccccc3[nH]c2n1 ZINC000016226525 507079338 /nfs/dbraw/zinc/07/93/38/507079338.db2.gz FCDZHYVDDVBTDE-UHFFFAOYSA-N -1 3 363.337 2.869 50 0 FFAAHM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017076680 507117344 /nfs/dbraw/zinc/11/73/44/507117344.db2.gz WMJCNKBIEZGBFB-COZJESOBSA-N -1 3 374.525 2.990 50 0 FFAAHM COc1cc2[n-]c(=S)n(CCN3CCCC[C@@H]3C)c(=O)c2cc1OC ZINC000020644482 507229911 /nfs/dbraw/zinc/22/99/11/507229911.db2.gz GKCRLEJIHVWPPI-LBPRGKRZSA-N -1 3 363.483 2.577 50 0 FFAAHM Cc1nc2sc([C@H](c3cccc(C)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022627628 507301539 /nfs/dbraw/zinc/30/15/39/507301539.db2.gz JBGRVSMEQBFUOU-HNNXBMFYSA-N -1 3 358.467 2.659 50 0 FFAAHM Cc1c([O-])ccc2c(CN3CCN(Cc4ccco4)CC3)cc(=O)oc12 ZINC000023249263 507341244 /nfs/dbraw/zinc/34/12/44/507341244.db2.gz GAOIWZIMDJHRPH-UHFFFAOYSA-N -1 3 354.406 2.718 50 0 FFAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C(C)=O)cc1)c1cccs1 ZINC000024485441 507416086 /nfs/dbraw/zinc/41/60/86/507416086.db2.gz XQWLEOZFRWABKZ-CQSZACIVSA-N -1 3 367.448 2.533 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)NC(C)(C)C ZINC000048344520 507502906 /nfs/dbraw/zinc/50/29/06/507502906.db2.gz MGOUYMHJTUYHQD-QMMMGPOBSA-N -1 3 353.271 2.575 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000072134699 507755123 /nfs/dbraw/zinc/75/51/23/507755123.db2.gz FQLPDFXJVZCTTG-UHFFFAOYSA-N -1 3 359.429 2.795 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@@H](c1ccccc1)C1CCCC1)C2 ZINC000072170329 507769082 /nfs/dbraw/zinc/76/90/82/507769082.db2.gz KAXIVFJFESCQTB-IBGZPJMESA-N -1 3 351.450 2.937 50 0 FFAAHM O=C(Nc1cccc(Oc2cnccn2)c1)c1cc2c(cc1[O-])OCO2 ZINC000052637387 507816638 /nfs/dbraw/zinc/81/66/38/507816638.db2.gz KXSHLRVMYAWTRS-UHFFFAOYSA-N -1 3 351.318 2.956 50 0 FFAAHM CO[C@@H](C[N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)s1 ZINC000225705696 509383682 /nfs/dbraw/zinc/38/36/82/509383682.db2.gz LDEYXRDVWAYBOJ-VIFPVBQESA-N -1 3 350.849 2.672 50 0 FFAAHM CO[C@H](C[N-]S(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C)c1ccsc1 ZINC000227663968 509412225 /nfs/dbraw/zinc/41/22/25/509412225.db2.gz IKNYLXHDQBVQAF-VBQJREDUSA-N -1 3 371.524 2.750 50 0 FFAAHM C[C@]1(c2ccc(C(=O)N3CCC[C@@H]3c3ccsc3)cc2)NC(=O)[N-]C1=O ZINC000267262735 509415184 /nfs/dbraw/zinc/41/51/84/509415184.db2.gz QLFCGKVTROGYFT-DNVCBOLYSA-N -1 3 369.446 2.780 50 0 FFAAHM O=c1c(=Cc2cc(Br)ccc2[O-])sc2nc3ccccc3n12 ZINC000250513632 509798683 /nfs/dbraw/zinc/79/86/83/509798683.db2.gz SPEIKRVTMZKPGK-UHFFFAOYSA-N -1 3 373.231 2.925 50 0 FFAAHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@H](C)c2ccc(C)o2)s1 ZINC000252484465 509839336 /nfs/dbraw/zinc/83/93/36/509839336.db2.gz FXFWWMDYODYHMA-LLVKDONJSA-N -1 3 372.468 2.588 50 0 FFAAHM O=C(NCc1nnc2n1CCCCC2)c1c[n-]c2c(Cl)cccc2c1=O ZINC000253419152 509880883 /nfs/dbraw/zinc/88/08/83/509880883.db2.gz ANJHSTVBZFBXMC-UHFFFAOYSA-N -1 3 371.828 2.842 50 0 FFAAHM CCCc1ccc(CN2CC[C@]3(OC)CC[C@H](OCC(=O)[O-])C[C@H]23)o1 ZINC000299756798 511670807 /nfs/dbraw/zinc/67/08/07/511670807.db2.gz IYBPYTJJJPEVOC-VDZJLULYSA-N -1 3 351.443 2.845 50 0 FFAAHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCN1CC[C@H](c2ccccc2C)C1 ZINC000299784885 511680911 /nfs/dbraw/zinc/68/09/11/511680911.db2.gz ICISIRFEYKPYIA-INIZCTEOSA-N -1 3 369.465 2.857 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000000627205 521699008 /nfs/dbraw/zinc/69/90/08/521699008.db2.gz MSYFKEAXXUVIAV-ZWKOTPCHSA-N -1 3 359.470 2.658 50 0 FFAAHM CCN1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000000627210 521699461 /nfs/dbraw/zinc/69/94/61/521699461.db2.gz MSYFKEAXXUVIAV-ROUUACIJSA-N -1 3 359.470 2.658 50 0 FFAAHM Cc1nc(C)c(CCC(=O)N2CCC[C@@H]2Cc2cccc(F)c2)c(=O)[n-]1 ZINC000079350825 526708647 /nfs/dbraw/zinc/70/86/47/526708647.db2.gz CZJXWBSAYCGUGS-QGZVFWFLSA-N -1 3 357.429 2.692 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)c3conc3-c3ccccc3)C2)cc(=O)[n-]1 ZINC000082109541 527075736 /nfs/dbraw/zinc/07/57/36/527075736.db2.gz TZHQGTIJKJDVQF-HNNXBMFYSA-N -1 3 364.405 2.753 50 0 FFAAHM COc1ccccc1NC(=O)Cn1nc2c3cc(F)ccc3[n-]cc-2c1=O ZINC000101800961 570823653 /nfs/dbraw/zinc/82/36/53/570823653.db2.gz FCZOAQSIXQYERU-UHFFFAOYSA-N -1 3 366.352 2.616 50 0 FFAAHM CCc1nc(C[N-]S(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cs1 ZINC000107704467 571143489 /nfs/dbraw/zinc/14/34/89/571143489.db2.gz AOQJLVBSIMSQJN-BDJLRTHQSA-N -1 3 356.513 2.520 50 0 FFAAHM CC[C@@H](C)Cc1nc(Cc2c(C)nc(C)[n-]c2=O)n(-c2ccncc2)n1 ZINC000952873202 1011004773 /nfs/dbraw/zinc/00/47/73/1011004773.db2.gz ILDCBZRTKKEXSC-GFCCVEGCSA-N -1 3 352.442 2.954 50 0 FFAAHM COc1ccc(CN2CC[C@@H](O)[C@@H](C(=O)[O-])C2)cc1OCc1ccccc1 ZINC001529100136 1062162052 /nfs/dbraw/zinc/16/20/52/1062162052.db2.gz NZKKDUBEBIXALZ-ZWKOTPCHSA-N -1 3 371.433 2.542 50 0 FFAAHM CC(C)C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)C ZINC000032929480 209854600 /nfs/dbraw/zinc/85/46/00/209854600.db2.gz WABJIPVLBUGPTF-LBPRGKRZSA-N -1 3 367.298 2.775 50 0 FFAAHM COc1ccc(C2(C[N-]S(=O)(=O)c3cccs3)CCOCC2)cc1 ZINC000016972166 209602656 /nfs/dbraw/zinc/60/26/56/209602656.db2.gz RUMYYUNPSVBISQ-UHFFFAOYSA-N -1 3 367.492 2.783 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(c2)CCCN4C(=O)C3)cc1C ZINC000004270421 209418770 /nfs/dbraw/zinc/41/87/70/209418770.db2.gz LAIURTXAAXWBSL-UHFFFAOYSA-N -1 3 372.446 2.640 50 0 FFAAHM Cc1ccc([C@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000049026878 209333107 /nfs/dbraw/zinc/33/31/07/209333107.db2.gz KPEHSXZEWSDNCE-LLVKDONJSA-N -1 3 350.223 2.907 50 0 FFAAHM Cc1csc(C(=O)[N-]c2nnc(SCCN3CCOCC3)s2)c1 ZINC000042379274 209257209 /nfs/dbraw/zinc/25/72/09/209257209.db2.gz MSLSGWIVXXQZGG-UHFFFAOYSA-N -1 3 370.525 2.585 50 0 FFAAHM COc1ccc(Cl)cc1N1C(=O)[C@@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101181436 209221391 /nfs/dbraw/zinc/22/13/91/209221391.db2.gz MXDJODZNQGUNRS-ZBFHGGJFSA-N -1 3 374.755 2.780 50 0 FFAAHM CC[C@@H]1CN(Cc2c(OC)cc(OC)cc2C(=O)[O-])CCN1C(C)C ZINC000097823654 209198626 /nfs/dbraw/zinc/19/86/26/209198626.db2.gz ZMXLSLALPXNVAB-CQSZACIVSA-N -1 3 350.459 2.707 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N(CCCO)Cc1ccc(Cl)cc1 ZINC000097785498 209196031 /nfs/dbraw/zinc/19/60/31/209196031.db2.gz ZTVKHZFMAOQJHR-UHFFFAOYSA-N -1 3 371.828 2.545 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N(CCCO)Cc1ccc(Cl)cc1 ZINC000097785498 209196036 /nfs/dbraw/zinc/19/60/36/209196036.db2.gz ZTVKHZFMAOQJHR-UHFFFAOYSA-N -1 3 371.828 2.545 50 0 FFAAHM CCN(CC)CCc1nnc([N-]c2nc3c(s2)c(C)nn3C)s1 ZINC000096140667 209120351 /nfs/dbraw/zinc/12/03/51/209120351.db2.gz HQORNPSHMZWIKE-UHFFFAOYSA-N -1 3 351.505 2.818 50 0 FFAAHM Cc1ccc(=O)n(C(C(=O)NC2CCCC2)=C([O-])c2ccc(F)cc2)c1 ZINC000004698751 207039394 /nfs/dbraw/zinc/03/93/94/207039394.db2.gz LJAWQHXNCDNYAP-SFHVURJKSA-N -1 3 356.397 2.779 50 0 FFAAHM CCOC(=O)CSc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000005927976 207122868 /nfs/dbraw/zinc/12/28/68/207122868.db2.gz HKMRRVVGMHZDRN-UHFFFAOYSA-N -1 3 358.423 2.793 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCSC2CCCCC2)cc1 ZINC000006267932 207135619 /nfs/dbraw/zinc/13/56/19/207135619.db2.gz MCBJJCLCIRZPQZ-UHFFFAOYSA-N -1 3 356.513 2.854 50 0 FFAAHM Cc1ccc(NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)c([O-])c1 ZINC000007976338 207212990 /nfs/dbraw/zinc/21/29/90/207212990.db2.gz IWQVNDMNMAKESX-UHFFFAOYSA-N -1 3 374.871 2.675 50 0 FFAAHM Cc1sc2[n-]c(COC(=O)c3ccc4c(c3)OCO4)nc(=O)c2c1C ZINC000008458749 207234200 /nfs/dbraw/zinc/23/42/00/207234200.db2.gz HNSHQOWTWPXXAI-UHFFFAOYSA-N -1 3 358.375 2.687 50 0 FFAAHM CCOc1cc(Cl)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)cc1Cl ZINC000008714589 207243253 /nfs/dbraw/zinc/24/32/53/207243253.db2.gz NWXFNKWEAJSIEC-VIFPVBQESA-N -1 3 354.255 2.849 50 0 FFAAHM COc1ccc(C)cc1CN(C)C(=O)CCc1c(C)[nH]c(=S)[n-]c1=O ZINC000010087015 207294180 /nfs/dbraw/zinc/29/41/80/207294180.db2.gz WNXYZLFNRLUBHF-UHFFFAOYSA-N -1 3 361.467 2.649 50 0 FFAAHM CCOC(=O)c1c(C)c(C(C)=O)sc1[N-]C(=O)c1snnc1C ZINC000011914776 207328752 /nfs/dbraw/zinc/32/87/52/207328752.db2.gz CSGISDNBRPMRGV-UHFFFAOYSA-N -1 3 353.425 2.848 50 0 FFAAHM O=C([N-]OCc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032850736 208049723 /nfs/dbraw/zinc/04/97/23/208049723.db2.gz ZIIHEVBJJYQPJN-KRWDZBQOSA-N -1 3 356.397 2.926 50 0 FFAAHM CC(C)c1noc(C2CCN(C(=O)Nc3nnc(-c4ccco4)[n-]3)CC2)n1 ZINC000032509021 208029599 /nfs/dbraw/zinc/02/95/99/208029599.db2.gz AZOGRHZDTKXLQZ-UHFFFAOYSA-N -1 3 371.401 2.983 50 0 FFAAHM CC(C)c1noc(C2CCN(C(=O)Nc3nc(-c4ccco4)n[n-]3)CC2)n1 ZINC000032509021 208029605 /nfs/dbraw/zinc/02/96/05/208029605.db2.gz AZOGRHZDTKXLQZ-UHFFFAOYSA-N -1 3 371.401 2.983 50 0 FFAAHM CC(C)c1noc(C2CCN(C(=O)Nc3n[n-]c(-c4ccco4)n3)CC2)n1 ZINC000032509021 208029610 /nfs/dbraw/zinc/02/96/10/208029610.db2.gz AZOGRHZDTKXLQZ-UHFFFAOYSA-N -1 3 371.401 2.983 50 0 FFAAHM O=C(C=C1[N-]S(=O)(=O)c2ccccc2N1)NCc1ccccc1Cl ZINC000033249476 208075497 /nfs/dbraw/zinc/07/54/97/208075497.db2.gz VORCUHVEVSETIM-UHFFFAOYSA-N -1 3 363.826 2.559 50 0 FFAAHM O=C(Nc1cc(Cl)ccc1[O-])c1c2c(sc1-n1cnnn1)CCC2 ZINC000036359813 208157417 /nfs/dbraw/zinc/15/74/17/208157417.db2.gz IVQIANHZDPBYBX-UHFFFAOYSA-N -1 3 361.814 2.824 50 0 FFAAHM O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)[N-]C1=NCCS1 ZINC000040160308 208239674 /nfs/dbraw/zinc/23/96/74/208239674.db2.gz ZCJYJXAPSVGJFW-INIZCTEOSA-N -1 3 353.447 2.767 50 0 FFAAHM O=C(NCCNC(=O)c1cc(Cl)ccc1Cl)c1ccc([O-])cc1 ZINC000047552769 208381467 /nfs/dbraw/zinc/38/14/67/208381467.db2.gz ZFNYWWFCLOTZMT-UHFFFAOYSA-N -1 3 353.205 2.859 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)[C@H]3CCCc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000047191134 208374492 /nfs/dbraw/zinc/37/44/92/208374492.db2.gz QMWRINJEHXAGLB-UWJYYQICSA-N -1 3 363.417 2.800 50 0 FFAAHM Cc1c(C(=O)[N-]c2ncn(Cc3ccccc3)n2)oc2c1C(=O)CCC2 ZINC000054235922 208454071 /nfs/dbraw/zinc/45/40/71/208454071.db2.gz GWEGOPGWKLLMLE-UHFFFAOYSA-N -1 3 350.378 2.999 50 0 FFAAHM O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1ncccc1[O-] ZINC000022261514 220381605 /nfs/dbraw/zinc/38/16/05/220381605.db2.gz VAIYFGVSKQQNKS-UHFFFAOYSA-N -1 3 370.434 2.535 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2ccc(F)c(Cl)c2)o1 ZINC000095472129 209057039 /nfs/dbraw/zinc/05/70/39/209057039.db2.gz AYFVBWQPCBOYMO-LLVKDONJSA-N -1 3 370.760 2.979 50 0 FFAAHM O=C([O-])[C@H](c1cccc2c1OCC2)N1CCC(OCc2cccnc2)CC1 ZINC000095501278 209060840 /nfs/dbraw/zinc/06/08/40/209060840.db2.gz MOZRPGVKTSWSEO-IBGZPJMESA-N -1 3 368.433 2.823 50 0 FFAAHM COCCOC1CCN([C@@H](C(=O)[O-])c2c(Cl)cccc2OC)CC1 ZINC000095389499 209046682 /nfs/dbraw/zinc/04/66/82/209046682.db2.gz FOGZNRGGSHUYPM-MRXNPFEDSA-N -1 3 357.834 2.602 50 0 FFAAHM CN(CC(=O)[O-])C(=O)C1(c2ccccc2)CCN(Cc2ccccc2)CC1 ZINC000095515327 209071395 /nfs/dbraw/zinc/07/13/95/209071395.db2.gz AARQVSLXUIPQFA-UHFFFAOYSA-N -1 3 366.461 2.763 50 0 FFAAHM CC(C)c1ccc(C(=O)NCc2ccnc(N3CCOCC3)c2)c([O-])c1 ZINC000048288415 136123243 /nfs/dbraw/zinc/12/32/43/136123243.db2.gz SEWBTYDPOSMCFS-UHFFFAOYSA-N -1 3 355.438 2.677 50 0 FFAAHM CCn1ccnc1C1CCN(C(=O)c2c[n-]c3ccc(F)cc3c2=O)CC1 ZINC000095529414 209077354 /nfs/dbraw/zinc/07/73/54/209077354.db2.gz PWJBJNJMMYEFNO-UHFFFAOYSA-N -1 3 368.412 2.903 50 0 FFAAHM N[N-]S(=O)(=O)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 ZINC000001401261 506260818 /nfs/dbraw/zinc/26/08/18/506260818.db2.gz ZLAZUESDPAWPPL-UHFFFAOYSA-N -1 3 371.793 2.558 50 0 FFAAHM Cn1cc(CC[N-]S(=O)(=O)c2ccc(F)cc2Cl)c2cccnc21 ZINC000065156739 506266474 /nfs/dbraw/zinc/26/64/74/506266474.db2.gz UAKZSRIAMVVHHZ-UHFFFAOYSA-N -1 3 367.833 2.887 50 0 FFAAHM CCOC(=O)c1c(C)n(C)c2cc3c(cc21)OC(=O)[C@@]3([O-])C(F)(F)Cl ZINC000002503992 506281200 /nfs/dbraw/zinc/28/12/00/506281200.db2.gz JEDWIUNTCJFMRL-OAHLLOKOSA-N -1 3 373.739 2.602 50 0 FFAAHM Cc1ccnn1Cc1n[n-]c(=S)n1-c1cnn(Cc2ccc(C)cc2)c1 ZINC000002809723 506295925 /nfs/dbraw/zinc/29/59/25/506295925.db2.gz OSROOVGWMFKUEM-UHFFFAOYSA-N -1 3 365.466 2.662 50 0 FFAAHM CC[C@H](C)NC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000002938628 506303763 /nfs/dbraw/zinc/30/37/63/506303763.db2.gz IKIQSSCEJNLYKB-GOEBONIOSA-N -1 3 364.467 2.912 50 0 FFAAHM CCOCCCNC(=O)[C@@H](NC(=O)c1ccccc1[O-])c1ccc(C)cc1 ZINC000003626130 506347506 /nfs/dbraw/zinc/34/75/06/506347506.db2.gz XANXRIOWDQOKFY-IBGZPJMESA-N -1 3 370.449 2.715 50 0 FFAAHM Cc1oc(-c2cccs2)nc1C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000053742654 506437759 /nfs/dbraw/zinc/43/77/59/506437759.db2.gz LDAFQZCXPILZII-UHFFFAOYSA-N -1 3 371.418 2.577 50 0 FFAAHM Cc1cc(Br)ccc1NC(=O)Cc1c(C)nc(C)[n-]c1=O ZINC000040144556 506473550 /nfs/dbraw/zinc/47/35/50/506473550.db2.gz WDSZJCZMTGIOOY-UHFFFAOYSA-N -1 3 350.216 2.639 50 0 FFAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCC[C@H](C)C3)cs2)no1 ZINC000006680880 506496684 /nfs/dbraw/zinc/49/66/84/506496684.db2.gz IEEPOXJFKOITQN-JTQLQIEISA-N -1 3 369.468 2.717 50 0 FFAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)NC3CCCCC3)cs2)no1 ZINC000006681800 506497997 /nfs/dbraw/zinc/49/79/97/506497997.db2.gz YLEDATKZPLIFKQ-UHFFFAOYSA-N -1 3 369.468 2.908 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3c(C)cccc3C)cc21 ZINC000006778665 506505668 /nfs/dbraw/zinc/50/56/68/506505668.db2.gz DECBMJFYTQVLLS-UHFFFAOYSA-N -1 3 360.435 2.850 50 0 FFAAHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1ccc(Cl)c(Cl)c1 ZINC000006784391 506507515 /nfs/dbraw/zinc/50/75/15/506507515.db2.gz AWYGJPQGNLQXIT-UHFFFAOYSA-N -1 3 356.209 2.893 50 0 FFAAHM O=S(=O)([N-]CCCn1cnc2ccccc21)c1ccc(F)c(F)c1 ZINC000007286645 506549955 /nfs/dbraw/zinc/54/99/55/506549955.db2.gz CDYFWXZVIIXCOV-UHFFFAOYSA-N -1 3 351.378 2.683 50 0 FFAAHM O=c1[n-]nc(SCc2ccc(Br)cc2)n1C[C@H]1CCCO1 ZINC000007350814 506557113 /nfs/dbraw/zinc/55/71/13/506557113.db2.gz DNMSRUCLOXFDJT-GFCCVEGCSA-N -1 3 370.272 2.805 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCCO3)cc1C ZINC000008961795 506676054 /nfs/dbraw/zinc/67/60/54/506676054.db2.gz HKRSJAYKHFVGQF-UHFFFAOYSA-N -1 3 360.435 2.535 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1Cl ZINC000010063829 506724437 /nfs/dbraw/zinc/72/44/37/506724437.db2.gz RWPUWQSQNOCADU-UHFFFAOYSA-N -1 3 352.799 2.644 50 0 FFAAHM CCn1nc(CN[C@H]2CCc3c(c(C(=O)[O-])nn3CC)C2)c2ccccc21 ZINC000067788443 507009855 /nfs/dbraw/zinc/00/98/55/507009855.db2.gz XPIWHDNWMFEZMN-ZDUSSCGKSA-N -1 3 367.453 2.618 50 0 FFAAHM CCN(Cc1cccc(F)c1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000057746347 507320892 /nfs/dbraw/zinc/32/08/92/507320892.db2.gz KAQGGGBAMFSKNY-UHFFFAOYSA-N -1 3 369.396 2.680 50 0 FFAAHM Cc1nc([C@H]2CCCN(Cc3cccn3-c3nccs3)C2)cc(=O)[n-]1 ZINC000023191725 507337230 /nfs/dbraw/zinc/33/72/30/507337230.db2.gz DPTQAHFSSOALHR-AWEZNQCLSA-N -1 3 355.467 2.705 50 0 FFAAHM CN(Cc1nncn1C)Cc1ccc(-c2nc(C(F)F)cc(=O)[n-]2)cc1 ZINC000023251435 507343165 /nfs/dbraw/zinc/34/31/65/507343165.db2.gz KOOBFZQKLROHTJ-UHFFFAOYSA-N -1 3 360.368 2.547 50 0 FFAAHM O=S(=O)([N-]CCc1cn2ccccc2n1)c1ccccc1C(F)(F)F ZINC000023354724 507347614 /nfs/dbraw/zinc/34/76/14/507347614.db2.gz PEQZBXQRERJEGJ-UHFFFAOYSA-N -1 3 369.368 2.874 50 0 FFAAHM CCCCn1nnnc1[N-]C(=O)N1CCC[C@H](C(=O)c2ccccc2)C1 ZINC000023543704 507358487 /nfs/dbraw/zinc/35/84/87/507358487.db2.gz ZUIZHTHOZNGRMQ-HNNXBMFYSA-N -1 3 356.430 2.600 50 0 FFAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)NCCc1cccc(Cl)c1 ZINC000025455064 507501923 /nfs/dbraw/zinc/50/19/23/507501923.db2.gz HXKIIJXFAZKPLO-UHFFFAOYSA-N -1 3 371.824 2.505 50 0 FFAAHM CCOC(=O)C[C@H](c1oc(CO)cc(=O)c1[O-])c1c(F)cccc1Cl ZINC000071283021 507700142 /nfs/dbraw/zinc/70/01/42/507700142.db2.gz QVFNAFMLUVKNMB-JTQLQIEISA-N -1 3 370.760 2.715 50 0 FFAAHM CCOc1ccc2oc(C)c(C(=O)N3CCc4c(nc(C)[n-]c4=O)C3)c2c1 ZINC000071750218 507710140 /nfs/dbraw/zinc/71/01/40/507710140.db2.gz ZNBAPWYINKZKME-UHFFFAOYSA-N -1 3 367.405 2.730 50 0 FFAAHM COc1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)cc(OC)c1O[C@@H](C)C(=O)[O-] ZINC000071753661 507711737 /nfs/dbraw/zinc/71/17/37/507711737.db2.gz UNXQXSNWICUBRC-CWRNSKLLSA-N -1 3 361.438 2.954 50 0 FFAAHM CCc1ccc(CN2C[C@@H](C(=O)[O-])C[C@H](C(=O)Nc3ccc(C)nc3)C2)o1 ZINC000071765293 507714972 /nfs/dbraw/zinc/71/49/72/507714972.db2.gz MQSVBQNZTPCINW-GJZGRUSLSA-N -1 3 371.437 2.707 50 0 FFAAHM Cc1ccc([C@H]2CN(C(=O)c3ncccc3[O-])[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072152518 507761943 /nfs/dbraw/zinc/76/19/43/507761943.db2.gz USJQUUNEIGBRDY-DUXKGJEZSA-N -1 3 363.461 2.798 50 0 FFAAHM Cc1cc(C)n(-c2ccc(F)cc2CN2CCc3[nH]cnc3[C@H]2C(=O)[O-])n1 ZINC000072432940 507790681 /nfs/dbraw/zinc/79/06/81/507790681.db2.gz PSBJASUXAHJILI-SFHVURJKSA-N -1 3 369.400 2.535 50 0 FFAAHM Cc1c2cc(F)ccc2[nH]c1CN1CCC(C(=O)[O-])(n2ccnc2)CC1 ZINC000072479419 507797807 /nfs/dbraw/zinc/79/78/07/507797807.db2.gz IYEGVMMGXREEMW-UHFFFAOYSA-N -1 3 356.401 2.888 50 0 FFAAHM CCc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2cccc(OC)c2)c(=O)[n-]1 ZINC000077407282 508311766 /nfs/dbraw/zinc/31/17/66/508311766.db2.gz MMNCMTPKUKJMGP-GOSISDBHSA-N -1 3 369.465 2.946 50 0 FFAAHM COCCCN1C[C@]2(CCCN(C(=O)c3cccc(C)c3[O-])C2)CCC1=O ZINC000077407296 508312124 /nfs/dbraw/zinc/31/21/24/508312124.db2.gz AMTXEZIDQADLMX-NRFANRHFSA-N -1 3 374.481 2.582 50 0 FFAAHM COc1ccc2c(c1)CCC[C@H]2NC(=O)c1cc(C(C)(C)C)nc(=O)[n-]1 ZINC000220291886 509298479 /nfs/dbraw/zinc/29/84/79/509298479.db2.gz HRZNNFISIIEWAQ-OAHLLOKOSA-N -1 3 355.438 2.883 50 0 FFAAHM CN(Cc1nccn1Cc1ccccc1)C(=O)Cc1ccc([O-])c(F)c1 ZINC000221449711 509308348 /nfs/dbraw/zinc/30/83/48/509308348.db2.gz RKQNTCVULVOGMI-UHFFFAOYSA-N -1 3 353.397 2.977 50 0 FFAAHM CCN(CC)CC[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1OC ZINC000170623943 509683720 /nfs/dbraw/zinc/68/37/20/509683720.db2.gz UVNUWRWQTGSGQP-UHFFFAOYSA-N -1 3 355.287 2.622 50 0 FFAAHM Cc1[nH]c2ccc(C(=O)N[C@H]3C[C@@H](c4cc(=O)[n-]c(N)n4)C3)cc2c1C ZINC000240228057 509839575 /nfs/dbraw/zinc/83/95/75/509839575.db2.gz KFJHKBGFMYJZFV-BETUJISGSA-N -1 3 351.410 2.539 50 0 FFAAHM O=c1cc([C@@H]2CCCN(Cc3nnc(-c4cccc(F)c4)o3)C2)nc[n-]1 ZINC000241081928 509841448 /nfs/dbraw/zinc/84/14/48/509841448.db2.gz YSQHSJWKZUJALZ-CYBMUJFWSA-N -1 3 355.373 2.751 50 0 FFAAHM CC(C)Cc1cc(C(=O)N[C@H](c2cccs2)[C@H]2C[C@@H](O)C2)[n-]c(=O)n1 ZINC000253535067 509885672 /nfs/dbraw/zinc/88/56/72/509885672.db2.gz BOVQYEIKQXQEGE-GHJWDPDVSA-N -1 3 361.467 2.684 50 0 FFAAHM Cc1noc(C)c1CCC(=O)N[C@H]1C[C@@H](c2cc(=O)[n-]c(C3CC3)n2)C1 ZINC000253535042 509886580 /nfs/dbraw/zinc/88/65/80/509886580.db2.gz GBPBSPGRXNHXJL-OKILXGFUSA-N -1 3 356.426 2.659 50 0 FFAAHM O=c1[n-]c(CN2CCC([C@H](O)c3ccccn3)CC2)nc2ccsc21 ZINC000253536687 509887699 /nfs/dbraw/zinc/88/76/99/509887699.db2.gz KQKPDQQXYWLNCI-INIZCTEOSA-N -1 3 356.451 2.738 50 0 FFAAHM CO[C@H]1CC[C@@]2(OC)CCN(C(=O)c3c[n-]c4ccc(C)cc4c3=O)[C@H]2C1 ZINC000426380757 513922595 /nfs/dbraw/zinc/92/25/95/513922595.db2.gz WXUPDBGGTBGASQ-DHUIEDIVSA-N -1 3 370.449 2.635 50 0 FFAAHM O=C([O-])c1cc(-c2ccc(C(=O)N3CCN4CCC[C@@H]4C3)cc2)ccc1O ZINC000426488535 513955907 /nfs/dbraw/zinc/95/59/07/513955907.db2.gz ZUUBSUYAXREZIQ-QGZVFWFLSA-N -1 3 366.417 2.678 50 0 FFAAHM COC(=O)c1sccc1S(=O)(=O)[N-]Cc1ccc(-c2ccco2)o1 ZINC000575610518 518235301 /nfs/dbraw/zinc/23/53/01/518235301.db2.gz PGDDUGBTEQJWFP-UHFFFAOYSA-N -1 3 367.404 2.866 50 0 FFAAHM CC(C)c1ccc(OCCNC(=O)c2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000078520149 519838223 /nfs/dbraw/zinc/83/82/23/519838223.db2.gz JLQULQKOSUBWOH-UHFFFAOYSA-N -1 3 352.390 2.502 50 0 FFAAHM O=S(=O)([N-]Cc1nccnc1-c1ccncc1)c1ccc(Cl)s1 ZINC000606440526 521066015 /nfs/dbraw/zinc/06/60/15/521066015.db2.gz QNVKBHMRZDOXSB-UHFFFAOYSA-N -1 3 366.855 2.732 50 0 FFAAHM CC(C)(C)OC(=O)N[C@H]1CCCN(c2nc(-c3ccccc3)cc(=O)[n-]2)C1 ZINC000067172892 534898990 /nfs/dbraw/zinc/89/89/90/534898990.db2.gz FKMUNOXLKDYFHT-HNNXBMFYSA-N -1 3 370.453 2.930 50 0 FFAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)cc1)CC(=O)N2 ZINC000046074020 570924289 /nfs/dbraw/zinc/92/42/89/570924289.db2.gz NPPFNPXDHCOANU-LBPRGKRZSA-N -1 3 372.450 2.645 50 0 FFAAHM CCc1noc(C)c1[N-]C(=O)c1cc(N2CCNC2=O)c(F)cc1F ZINC000120837251 571187597 /nfs/dbraw/zinc/18/75/97/571187597.db2.gz FKVZQCITLDNUPW-UHFFFAOYSA-N -1 3 350.325 2.606 50 0 FFAAHM O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccccc1[O-] ZINC000012927945 220043713 /nfs/dbraw/zinc/04/37/13/220043713.db2.gz AVIFYBWZMXQYLQ-UHFFFAOYSA-N -1 3 370.430 2.853 50 0 FFAAHM COC(=O)c1sc2[n-]c(CN3CCc4ccccc4C3)nc(=O)c2c1C ZINC000021821787 211326017 /nfs/dbraw/zinc/32/60/17/211326017.db2.gz GYKMHSDOOQZFHW-UHFFFAOYSA-N -1 3 369.446 2.638 50 0 FFAAHM [O-]c1ccccc1C1N=NC(=S)N1c1ccc(Cn2cncn2)cc1 ZINC000020721041 211294030 /nfs/dbraw/zinc/29/40/30/211294030.db2.gz IFPZKQNJHYHHGJ-UHFFFAOYSA-N -1 3 350.407 2.568 50 0 FFAAHM CC(C)[C@H](Sc1nnc([N-]c2ccccc2F)s1)C(=O)NC(N)=O ZINC000013135359 211026093 /nfs/dbraw/zinc/02/60/93/211026093.db2.gz MZHFRLYSOOHSCE-JTQLQIEISA-N -1 3 369.447 2.732 50 0 FFAAHM O=CN1CCN(C(=O)C[C@@H](c2ccccc2)c2cc(Cl)ccc2[O-])CC1 ZINC000002412520 210397161 /nfs/dbraw/zinc/39/71/61/210397161.db2.gz QQCZDSYOFRXAFC-KRWDZBQOSA-N -1 3 372.852 2.868 50 0 FFAAHM Cc1nc(CN2CC=C(c3cnn(Cc4ccccc4)c3)CC2)cc(=O)[n-]1 ZINC000065385875 221208964 /nfs/dbraw/zinc/20/89/64/221208964.db2.gz XEQUPIGSROUSHL-UHFFFAOYSA-N -1 3 361.449 2.612 50 0 FFAAHM O=C([O-])c1nc(N2CCN(C3Cc4ccccc4C3)CC2)ccc1Cl ZINC000065408931 221215577 /nfs/dbraw/zinc/21/55/77/221215577.db2.gz MIVDBTYEHLQDLT-UHFFFAOYSA-N -1 3 357.841 2.723 50 0 FFAAHM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)Nc1nc(-c2ccoc2)n[n-]1 ZINC000066076556 221239595 /nfs/dbraw/zinc/23/95/95/221239595.db2.gz OTHSVHPNXONOJM-VIFPVBQESA-N -1 3 366.299 2.911 50 0 FFAAHM Cc1ncc(CO)c(CN2CCc3nc[nH]c3[C@@H]2c2ccsc2)c1[O-] ZINC000067841899 221292347 /nfs/dbraw/zinc/29/23/47/221292347.db2.gz PPLOFSQYJUEPBC-KRWDZBQOSA-N -1 3 356.451 2.520 50 0 FFAAHM O=C(N[C@H](c1ccncc1)c1ccc(Cl)cc1)c1cc(=O)c([O-])co1 ZINC000067847363 221293803 /nfs/dbraw/zinc/29/38/03/221293803.db2.gz NDKPNOQBFKTKBJ-KRWDZBQOSA-N -1 3 356.765 2.913 50 0 FFAAHM Cc1ccc(Oc2ncccc2CNC(=O)c2ccc3n[n-]nc3c2)cn1 ZINC000067948035 221307965 /nfs/dbraw/zinc/30/79/65/221307965.db2.gz QBSRBZNNEWLDLV-UHFFFAOYSA-N -1 3 360.377 2.779 50 0 FFAAHM COc1ccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)c(OC)c1OC ZINC000071282629 221338309 /nfs/dbraw/zinc/33/83/09/221338309.db2.gz RBQJXVPDFLWUOC-LLVKDONJSA-N -1 3 361.398 2.907 50 0 FFAAHM COc1cc(C(=O)N2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)ccc1[O-] ZINC000071759780 221366482 /nfs/dbraw/zinc/36/64/82/221366482.db2.gz LKSZQPHYEMVEKG-INIZCTEOSA-N -1 3 360.454 2.510 50 0 FFAAHM CC(C)c1cc(C(=O)N2CCc3c(=O)[n-]c(-c4ccccc4)nc3C2)no1 ZINC000072166804 221443786 /nfs/dbraw/zinc/44/37/86/221443786.db2.gz UVUZWAUNOUTRGC-UHFFFAOYSA-N -1 3 364.405 2.747 50 0 FFAAHM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccc(N2CCOCC2)cc1 ZINC000012536287 132859467 /nfs/dbraw/zinc/85/94/67/132859467.db2.gz ZYOQCFHQYKQRHN-UHFFFAOYSA-N -1 3 350.415 2.772 50 0 FFAAHM COc1ccc(C(=O)N2CCCN(C(=O)c3ccccc3F)CC2)c([O-])c1 ZINC000097151058 222164620 /nfs/dbraw/zinc/16/46/20/222164620.db2.gz MRPCFLZIYVMBQE-UHFFFAOYSA-N -1 3 372.396 2.528 50 0 FFAAHM CSc1ccc2c(c1)CCN(C(=O)c1ccccc1-c1nnn[n-]1)C2 ZINC000097744862 222210207 /nfs/dbraw/zinc/21/02/07/222210207.db2.gz WVIDQPPVOQOFPQ-UHFFFAOYSA-N -1 3 351.435 2.787 50 0 FFAAHM CSc1ccc2c(c1)CCN(C(=O)c1ccccc1-c1nn[n-]n1)C2 ZINC000097744862 222210210 /nfs/dbraw/zinc/21/02/10/222210210.db2.gz WVIDQPPVOQOFPQ-UHFFFAOYSA-N -1 3 351.435 2.787 50 0 FFAAHM Cc1nc(C)c(CCC(=O)Nc2ccccc2OC(F)(F)F)c(=O)[n-]1 ZINC000032842106 506303881 /nfs/dbraw/zinc/30/38/81/506303881.db2.gz OEJIYBUORGQDQB-UHFFFAOYSA-N -1 3 355.316 2.857 50 0 FFAAHM CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3ccco3)[n-]2)c1 ZINC000032873562 506305600 /nfs/dbraw/zinc/30/56/00/506305600.db2.gz VNSMIEFZGYSHKW-UHFFFAOYSA-N -1 3 357.395 2.754 50 0 FFAAHM CC(=O)Nc1cccc(NC(=O)CSc2nc(-c3ccco3)n[n-]2)c1 ZINC000032873562 506305606 /nfs/dbraw/zinc/30/56/06/506305606.db2.gz VNSMIEFZGYSHKW-UHFFFAOYSA-N -1 3 357.395 2.754 50 0 FFAAHM CC(=O)Nc1cccc(NC(=O)CSc2n[n-]c(-c3ccco3)n2)c1 ZINC000032873562 506305612 /nfs/dbraw/zinc/30/56/12/506305612.db2.gz VNSMIEFZGYSHKW-UHFFFAOYSA-N -1 3 357.395 2.754 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NC1CCCCCC1 ZINC000003907481 506353958 /nfs/dbraw/zinc/35/39/58/506353958.db2.gz GNLLMKKWWWDYBW-HNNXBMFYSA-N -1 3 358.529 2.890 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1 ZINC000004001781 506354508 /nfs/dbraw/zinc/35/45/08/506354508.db2.gz MWOGXFFMSWEFLR-KRWDZBQOSA-N -1 3 360.435 2.913 50 0 FFAAHM O=c1[nH]ncc(NN=Cc2c([O-])ccc3ccccc32)c1Br ZINC000004342165 506373588 /nfs/dbraw/zinc/37/35/88/506373588.db2.gz UMIHPKIJUVDYQL-UHFFFAOYSA-N -1 3 359.183 2.837 50 0 FFAAHM CCOc1ccc([N-]S(=O)(=O)c2ccc(OC)c(NC(C)=O)c2)cc1 ZINC000005121389 506423050 /nfs/dbraw/zinc/42/30/50/506423050.db2.gz ISJUMRRBYPZSOB-UHFFFAOYSA-N -1 3 364.423 2.853 50 0 FFAAHM CC(C)c1ccc([C@@H]2[C@H](S(=O)(=O)[N-]Cc3ccco3)CON2C)cc1 ZINC000037553441 506427791 /nfs/dbraw/zinc/42/77/91/506427791.db2.gz APYCEQYKQURUTQ-QZTJIDSGSA-N -1 3 364.467 2.809 50 0 FFAAHM COCCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2ccc(Cl)cc2)N1 ZINC000005447376 506442884 /nfs/dbraw/zinc/44/28/84/506442884.db2.gz XSPQNTSKZCQJJO-CYBMUJFWSA-N -1 3 350.724 2.829 50 0 FFAAHM Nc1n[nH]c(SCc2nc(=O)c3c(-c4cccs4)csc3[n-]2)n1 ZINC000006498377 506485596 /nfs/dbraw/zinc/48/55/96/506485596.db2.gz RNNHZGCLBIGJEY-UHFFFAOYSA-N -1 3 362.465 2.706 50 0 FFAAHM Cc1cnc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)s1 ZINC000006624325 506492526 /nfs/dbraw/zinc/49/25/26/506492526.db2.gz KTLNNXVRNXHFBW-UHFFFAOYSA-N -1 3 362.407 2.918 50 0 biogenic FFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(C)c(C(=O)N3CCOCC3)c2)cc1 ZINC000006706828 506498387 /nfs/dbraw/zinc/49/83/87/506498387.db2.gz XRSGULSXTVYSDI-UHFFFAOYSA-N -1 3 374.462 2.577 50 0 FFAAHM O=S(=O)([N-]Cc1ccccn1)c1ccc(Br)cc1Cl ZINC000007059581 506531313 /nfs/dbraw/zinc/53/13/13/506531313.db2.gz IJXLXOPAJAPSGR-UHFFFAOYSA-N -1 3 361.648 2.976 50 0 FFAAHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cccc(C(F)(F)F)c1 ZINC000007758218 506587288 /nfs/dbraw/zinc/58/72/88/506587288.db2.gz OVULUZJMVMBMGC-UHFFFAOYSA-N -1 3 355.316 2.605 50 0 FFAAHM CCOC(=O)c1c(C)oc2nc(CN3CCc4ccccc43)[n-]c(=O)c21 ZINC000009157701 506685193 /nfs/dbraw/zinc/68/51/93/506685193.db2.gz XFJKCMGUMRDIBL-UHFFFAOYSA-N -1 3 353.378 2.564 50 0 FFAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000022474079 507294484 /nfs/dbraw/zinc/29/44/84/507294484.db2.gz ZFUCPAUFTSQJFA-UHFFFAOYSA-N -1 3 359.495 2.938 50 0 FFAAHM CCCOc1cccc(C(=O)Nc2cccc([C@@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000048365903 507510108 /nfs/dbraw/zinc/51/01/08/507510108.db2.gz AAQQMTOPWZEEME-HXUWFJFHSA-N -1 3 367.405 2.782 50 0 FFAAHM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]C1Cc2ccccc2C1 ZINC000049545515 507622638 /nfs/dbraw/zinc/62/26/38/507622638.db2.gz ACMHDVODLZLASO-UHFFFAOYSA-N -1 3 371.867 2.634 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]C(C)(C)C)c(OC)cc1Br ZINC000027588538 507668862 /nfs/dbraw/zinc/66/88/62/507668862.db2.gz BEAJLCADYBDSKS-UHFFFAOYSA-N -1 3 352.250 2.543 50 0 FFAAHM Cc1noc(C)c1CN1CCC(C(=O)[O-])(n2ccc(-c3ccco3)n2)CC1 ZINC000072457369 507793931 /nfs/dbraw/zinc/79/39/31/507793931.db2.gz BCFGGXVEMRZIHH-UHFFFAOYSA-N -1 3 370.409 2.824 50 0 FFAAHM COc1ccc(OC2CCN(C(=O)c3ccc4n[n-]nc4c3)CC2)cc1 ZINC000072478442 507796795 /nfs/dbraw/zinc/79/67/95/507796795.db2.gz ILGOEZIELHTLRR-UHFFFAOYSA-N -1 3 352.394 2.650 50 0 FFAAHM CC(C)(C(=O)N1CCN(C(=O)c2ccccc2[O-])CC1)c1ccccc1 ZINC000031244672 507818406 /nfs/dbraw/zinc/81/84/06/507818406.db2.gz RXKOYIQEFBSDBA-UHFFFAOYSA-N -1 3 352.434 2.654 50 0 FFAAHM COC(=O)c1cc([N-]C(=O)c2cn(-c3ccccc3)nn2)c(F)cc1F ZINC000031908444 507822286 /nfs/dbraw/zinc/82/22/86/507822286.db2.gz YGHPBIILYRQUSJ-UHFFFAOYSA-N -1 3 358.304 2.584 50 0 FFAAHM COc1ccc(Cc2noc(-c3ccc([N-]S(C)(=O)=O)cc3)n2)cc1 ZINC000089444073 507838792 /nfs/dbraw/zinc/83/87/92/507838792.db2.gz YVXSQIXSNKWNDU-UHFFFAOYSA-N -1 3 359.407 2.708 50 0 FFAAHM Cc1cccc2c(=O)c(C(=O)N3CCC[C@@](CO)(CC4CC4)C3)c[n-]c12 ZINC000091643806 507999590 /nfs/dbraw/zinc/99/95/90/507999590.db2.gz RZCRPLRXBKFVLJ-OAQYLSRUSA-N -1 3 354.450 2.851 50 0 FFAAHM Cc1c([C@@H](C)NC(=O)c2ccccc2-c2nnn[n-]2)cnn1-c1ccccc1 ZINC000091793692 508013644 /nfs/dbraw/zinc/01/36/44/508013644.db2.gz YSTSBEKMSITWOR-CYBMUJFWSA-N -1 3 373.420 2.852 50 0 FFAAHM Cc1c([C@@H](C)NC(=O)c2ccccc2-c2nn[n-]n2)cnn1-c1ccccc1 ZINC000091793692 508013645 /nfs/dbraw/zinc/01/36/45/508013645.db2.gz YSTSBEKMSITWOR-CYBMUJFWSA-N -1 3 373.420 2.852 50 0 FFAAHM COc1cc(C)c([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)c(C)c1 ZINC000095388678 508182799 /nfs/dbraw/zinc/18/27/99/508182799.db2.gz FDIXFDFEKZCLEG-FQEVSTJZSA-N -1 3 369.465 2.651 50 0 FFAAHM CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(Cl)[n-]c(=O)c2)cc1 ZINC000095469382 508187902 /nfs/dbraw/zinc/18/79/02/508187902.db2.gz JBUKBKVTHRRHMW-SNVBAGLBSA-N -1 3 362.769 2.827 50 0 FFAAHM COC(=O)C[C@H](c1c(Cl)nc2sccn21)c1oc(C)cc(=O)c1[O-] ZINC000095479170 508188941 /nfs/dbraw/zinc/18/89/41/508188941.db2.gz BJFVVLSLNKHCHP-MRVPVSSYSA-N -1 3 368.798 2.711 50 0 FFAAHM CCCn1ncc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c1C ZINC000095510327 508192882 /nfs/dbraw/zinc/19/28/82/508192882.db2.gz QHBRMMOCHDXKGD-YLJYHZDGSA-N -1 3 355.438 2.664 50 0 FFAAHM CCN(CC)CCNc1c(F)cc2c(=O)c(C(=O)[O-])cn(CC)c2c1F ZINC000214082357 509241571 /nfs/dbraw/zinc/24/15/71/509241571.db2.gz FKDBMSYLYCPILF-UHFFFAOYSA-N -1 3 367.396 2.752 50 0 FFAAHM C[C@@]1(c2ccc(C(=O)N3CCC[C@H]3c3ccsc3)cc2)NC(=O)[N-]C1=O ZINC000267262739 509417082 /nfs/dbraw/zinc/41/70/82/509417082.db2.gz QLFCGKVTROGYFT-KXBFYZLASA-N -1 3 369.446 2.780 50 0 FFAAHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c(Cl)nc3ccccn32)s1 ZINC000170654414 509701241 /nfs/dbraw/zinc/70/12/41/509701241.db2.gz LNFZEVBNGMWFRE-SECBINFHSA-N -1 3 356.860 2.792 50 0 FFAAHM COC(=O)NCCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccc(C)o2)s1 ZINC000252484466 509840832 /nfs/dbraw/zinc/84/08/32/509840832.db2.gz FXFWWMDYODYHMA-NSHDSACASA-N -1 3 372.468 2.588 50 0 FFAAHM CCCOc1cc(OC)ccc1C(=O)NCc1ccc(-c2nnn[n-]2)cc1 ZINC000252488837 509841619 /nfs/dbraw/zinc/84/16/19/509841619.db2.gz JAEVHRXXIZVYKN-UHFFFAOYSA-N -1 3 367.409 2.594 50 0 FFAAHM CCCOc1cc(OC)ccc1C(=O)NCc1ccc(-c2nn[n-]n2)cc1 ZINC000252488837 509841622 /nfs/dbraw/zinc/84/16/22/509841622.db2.gz JAEVHRXXIZVYKN-UHFFFAOYSA-N -1 3 367.409 2.594 50 0 FFAAHM Cc1ccc(-c2noc([C@@H](C)N3CCC(c4nc(=O)[n-][nH]4)CC3)n2)cc1F ZINC000252495191 509844150 /nfs/dbraw/zinc/84/41/50/509844150.db2.gz ONBOAAQYZZNZHF-LLVKDONJSA-N -1 3 372.404 2.536 50 0 FFAAHM CC[C@@](C)([N-]S(=O)(=O)c1cn(CC(C)C)cn1)c1nc(C)cs1 ZINC000175028364 510447310 /nfs/dbraw/zinc/44/73/10/510447310.db2.gz OHCIAKUYLOXENH-OAHLLOKOSA-N -1 3 356.517 2.908 50 0 FFAAHM CCc1cc2c(CN3CCC[C@@H]3[C@@H](O)C(F)(F)F)cc(=O)oc2cc1[O-] ZINC000408512868 513082996 /nfs/dbraw/zinc/08/29/96/513082996.db2.gz BDUTXTKXNRRFAI-CXAGYDPISA-N -1 3 371.355 2.949 50 0 FFAAHM COc1ncccc1NC(=O)c1cc(=O)c(OCc2ccccc2)c[n-]1 ZINC000524733246 516808875 /nfs/dbraw/zinc/80/88/75/516808875.db2.gz JIJRLSSBXMXARA-UHFFFAOYSA-N -1 3 351.362 2.610 50 0 FFAAHM COc1ccc2oc(C[N-]S(=O)(=O)c3cc(C)sc3C)nc2c1 ZINC000534639988 517976891 /nfs/dbraw/zinc/97/68/91/517976891.db2.gz SIFZTQHANMRFDJ-UHFFFAOYSA-N -1 3 352.437 2.993 50 0 FFAAHM COc1ccc(F)cc1S(=O)(=O)[N-]Cc1cncc(-c2ccoc2)c1 ZINC000575620508 518239712 /nfs/dbraw/zinc/23/97/12/518239712.db2.gz NRAHVUUOLURXNO-UHFFFAOYSA-N -1 3 362.382 2.968 50 0 FFAAHM Cc1ccc(-c2csc(SCc3cc(=O)n4nc(N)[n-]c4n3)n2)cc1 ZINC000103936765 570853499 /nfs/dbraw/zinc/85/34/99/570853499.db2.gz NYNSYGLQZCBMRL-UHFFFAOYSA-N -1 3 370.463 2.724 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)C3C4CC5CC(C4)CC3C5)c2)NC(=O)[N-]C1=O ZINC000047191145 570881894 /nfs/dbraw/zinc/88/18/94/570881894.db2.gz WCUVLWFXVNLWJT-CKQNDKACSA-N -1 3 367.449 2.752 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)C=Cc3ccccc3F)c2)NC(=O)[N-]C1=O ZINC000047299019 570885337 /nfs/dbraw/zinc/88/53/37/570885337.db2.gz UVJQMDYAYDKMBX-YXBWYFRISA-N -1 3 353.353 2.532 50 0 FFAAHM C[C@H]1CCCC[C@H]1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000045797084 570911908 /nfs/dbraw/zinc/91/19/08/570911908.db2.gz SQGVEWGOGCQTDK-GXFFZTMASA-N -1 3 365.904 2.601 50 0 FFAAHM Cc1csc(C[N-]S(=O)(=O)c2ccc(-c3n[nH]c(C)c3C)o2)n1 ZINC000670437998 571347531 /nfs/dbraw/zinc/34/75/31/571347531.db2.gz DZOXOLCHCBVZKN-UHFFFAOYSA-N -1 3 352.441 2.530 50 0 FFAAHM O=C(NN=Cc1ccccc1I)c1ccccc1[O-] ZINC000254745314 729626970 /nfs/dbraw/zinc/62/69/70/729626970.db2.gz MAZDSZSSNODIAR-UHFFFAOYSA-N -1 3 366.158 2.761 50 0 FFAAHM CCO[N-]C(=O)CC/C(C)=C\Cc1c(O)c2c(c(C)c1OC)COC2=O ZINC000888105352 976801842 /nfs/dbraw/zinc/80/18/42/976801842.db2.gz CQAPNPDITPFICO-WDZFZDKYSA-N -1 3 363.410 2.716 50 0 FFAAHM C[C@@H](Oc1ccccc1CN1CCCN(Cc2cccnc2)CC1)C(=O)[O-] ZINC000072158339 1019834564 /nfs/dbraw/zinc/83/45/64/1019834564.db2.gz YRVCBRSIFDPUHE-QGZVFWFLSA-N -1 3 369.465 2.641 50 0 FFAAHM COC(=O)C[C@H](c1ccc(OC)c(O)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253412502 210215825 /nfs/dbraw/zinc/21/58/25/210215825.db2.gz REOZKRLSNDNDPM-CYBMUJFWSA-N -1 3 370.357 2.908 50 0 biogenic FFAAHM CCC(=O)Nc1cc(S(=O)(=O)[N-]c2ccccc2F)ccc1OC ZINC000016576891 220187806 /nfs/dbraw/zinc/18/78/06/220187806.db2.gz DTQFUYUKACOEFT-UHFFFAOYSA-N -1 3 352.387 2.984 50 0 FFAAHM CCCn1ccnc1SCC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000026042012 211441050 /nfs/dbraw/zinc/44/10/50/211441050.db2.gz JFRWOKSHSUBOBI-UHFFFAOYSA-N -1 3 353.469 2.640 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(Cc2ccc(Cl)s2)CC1 ZINC000024013494 211399703 /nfs/dbraw/zinc/39/97/03/211399703.db2.gz CYIDJPHDSUNBKD-UHFFFAOYSA-N -1 3 361.858 2.631 50 0 FFAAHM O=C(CSc1n[n-]c([C@@H]2CCCO2)n1)Nc1ccccc1OC(F)F ZINC000022543940 211354202 /nfs/dbraw/zinc/35/42/02/211354202.db2.gz WTXXXXZSXJOKIB-NSHDSACASA-N -1 3 370.381 2.988 50 0 FFAAHM CCOC(=O)[C@@H](CC)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000006530670 210677992 /nfs/dbraw/zinc/67/79/92/210677992.db2.gz QLHVJJGDPNYBAW-CYBMUJFWSA-N -1 3 358.423 2.543 50 0 FFAAHM O=C1CC(N(O)c2ccccc2)=C([O-])N1c1ccccc1Br ZINC000002263304 210386287 /nfs/dbraw/zinc/38/62/87/210386287.db2.gz BVADSFSELUVLSH-CQSZACIVSA-N -1 3 361.195 2.977 50 0 FFAAHM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(=O)[n-]s1 ZINC000001401197 210349453 /nfs/dbraw/zinc/34/94/53/210349453.db2.gz FLTGWPMENOUZBM-UHFFFAOYSA-N -1 3 354.750 2.840 50 0 FFAAHM COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1Cl ZINC000001059791 210312103 /nfs/dbraw/zinc/31/21/03/210312103.db2.gz RHAARUWVWNEOFU-UHFFFAOYSA-N -1 3 354.815 2.972 50 0 FFAAHM O=C(NCc1ccccc1)C(=C([O-])c1ccc(F)cc1)n1ccccc1=O ZINC000000819426 210275326 /nfs/dbraw/zinc/27/53/26/210275326.db2.gz OGQMUPOFJCNMFB-IBGZPJMESA-N -1 3 364.376 2.728 50 0 FFAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCC1)c1cc(F)cc(F)c1 ZINC000048312998 221006574 /nfs/dbraw/zinc/00/65/74/221006574.db2.gz BSDIQFRMMUCBPP-HNNXBMFYSA-N -1 3 356.394 2.673 50 0 FFAAHM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC(c2[nH]ncc2-c2ccccc2)CC1 ZINC000067790783 221287006 /nfs/dbraw/zinc/28/70/06/221287006.db2.gz ZQXWCVRDGZMAEW-UHFFFAOYSA-N -1 3 365.437 2.763 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@@H](c2ccc(OCC(N)=O)cc2)S1 ZINC000071285801 221339434 /nfs/dbraw/zinc/33/94/34/221339434.db2.gz FBGPPTZJCGQTPG-OAHLLOKOSA-N -1 3 360.439 2.920 50 0 FFAAHM O=c1[n-]n2c([nH]c3c(c2=O)CCCC3)c1Cc1cccc(Br)c1 ZINC000071415889 221345926 /nfs/dbraw/zinc/34/59/26/221345926.db2.gz VJDWKGRBTDUYPZ-UHFFFAOYSA-N -1 3 374.238 2.548 50 0 FFAAHM O=C([O-])C[C@H]1CNCCN(C(=O)c2cccc(Oc3ccccc3)c2)C1 ZINC000071762503 221370119 /nfs/dbraw/zinc/37/01/19/221370119.db2.gz BOGVBHOICDPHOA-HNNXBMFYSA-N -1 3 354.406 2.615 50 0 FFAAHM COc1cccc(C(=O)N2CC(=O)N(c3cccc(C)c3)C[C@H]2C)c1[O-] ZINC000082139193 132197395 /nfs/dbraw/zinc/19/73/95/132197395.db2.gz STRZTAIHEJBWPM-CQSZACIVSA-N -1 3 354.406 2.587 50 0 FFAAHM O=C1CC(N(O)c2ccccc2)=C([O-])N1c1ccccc1Br ZINC000101030644 222260517 /nfs/dbraw/zinc/26/05/17/222260517.db2.gz BVADSFSELUVLSH-AWEZNQCLSA-N -1 3 361.195 2.977 50 0 FFAAHM COc1ccc(Cl)cc1N1C(=O)[C@H]2C(c3ccc(F)cc3)=NOC2=C1[O-] ZINC000101360992 222272307 /nfs/dbraw/zinc/27/23/07/222272307.db2.gz MXDJODZNQGUNRS-GOEBONIOSA-N -1 3 374.755 2.780 50 0 FFAAHM CCC[N-]S(=O)(=O)c1ccc(Br)cc1Br ZINC000037574113 506429620 /nfs/dbraw/zinc/42/96/20/506429620.db2.gz IWTSFILRQGYZGA-UHFFFAOYSA-N -1 3 357.067 2.900 50 0 FFAAHM Cc1c([O-])ccc2c(CC(=O)N3CC[C@]4(O)CCCC[C@@H]4C3)cc(=O)oc12 ZINC000002111498 506271894 /nfs/dbraw/zinc/27/18/94/506271894.db2.gz YPJHBHYMJRSWQM-QVKFZJNVSA-N -1 3 371.433 2.503 50 0 biogenic FFAAHM CCOc1ccccc1C(=O)[N-]n1cc(C(=O)OC)c2ccccc2c1=O ZINC000003630818 506347841 /nfs/dbraw/zinc/34/78/41/506347841.db2.gz KAMQHKYXQUJOCS-UHFFFAOYSA-N -1 3 366.373 2.571 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)NCc3ccccn3)c(=O)oc12 ZINC000004000268 506353513 /nfs/dbraw/zinc/35/35/13/506353513.db2.gz KXGOEHFQNPJZFJ-UHFFFAOYSA-N -1 3 352.390 2.759 50 0 biogenic FFAAHM CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c([O-])c2c1 ZINC000004169883 506364336 /nfs/dbraw/zinc/36/43/36/506364336.db2.gz SEGXXTCHPSTDDA-UHFFFAOYSA-N -1 3 359.403 2.768 50 0 FFAAHM CCCCN(C)C(=O)C(=C([O-])c1ccc(F)cc1)n1cc(C)ccc1=O ZINC000004700420 506389169 /nfs/dbraw/zinc/38/91/69/506389169.db2.gz RJEXZVUTYMNMNT-SFHVURJKSA-N -1 3 358.413 2.978 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000004812165 506394707 /nfs/dbraw/zinc/39/47/07/506394707.db2.gz IAZHVPYUXPUGMK-RDJZCZTQSA-N -1 3 367.792 2.663 50 0 FFAAHM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-n3cccn3)cc2)cc1 ZINC000036360951 506401829 /nfs/dbraw/zinc/40/18/29/506401829.db2.gz VICSJIFSDVCYPD-UHFFFAOYSA-N -1 3 356.407 2.632 50 0 FFAAHM COc1ccccc1OCC(=O)N1NC2=C(CCCC2)[C@]1([O-])C(F)(F)F ZINC000006407956 506481432 /nfs/dbraw/zinc/48/14/32/506481432.db2.gz RVKZDUPQWHODRE-ZBEGNZNMSA-N -1 3 372.343 2.713 50 0 FFAAHM Cc1nn([C@H](C)C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)c(C)c1Cl ZINC000006526583 506486479 /nfs/dbraw/zinc/48/64/79/506486479.db2.gz BQLZOIDOZHVFDT-SKDRFNHKSA-N -1 3 352.744 2.573 50 0 FFAAHM CC[C@H](C(=O)N1NC(C)=C[C@@]1([O-])C(F)(F)F)n1nc(C)c(Cl)c1C ZINC000006555265 506488570 /nfs/dbraw/zinc/48/85/70/506488570.db2.gz UKKMRRXBOJICHU-ZWNOBZJWSA-N -1 3 366.771 2.964 50 0 FFAAHM COCCOC(=O)c1sc2[n-]c(-c3ccsc3)nc(=O)c2c1C ZINC000054752916 506614011 /nfs/dbraw/zinc/61/40/11/506614011.db2.gz CAXQCPUFMOXHLM-UHFFFAOYSA-N -1 3 350.421 2.825 50 0 FFAAHM N[C@H](CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000008076151 506619306 /nfs/dbraw/zinc/61/93/06/506619306.db2.gz BRRPJQYCERAMFI-HXUWFJFHSA-N -1 3 374.440 2.897 50 0 FFAAHM Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)[N-]C1=NCCS1 ZINC000009154718 506684022 /nfs/dbraw/zinc/68/40/22/506684022.db2.gz LJIWZBBJGYHDKV-UHFFFAOYSA-N -1 3 353.451 2.651 50 0 FFAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CC(=O)N[C@@H](C)c1cccc(F)c1 ZINC000056139403 506946237 /nfs/dbraw/zinc/94/62/37/506946237.db2.gz POGIDHVJEGTFIF-LBPRGKRZSA-N -1 3 366.396 2.699 50 0 FFAAHM Cc1nn(C)cc1[C@H](C)[N-]S(=O)(=O)c1sccc1Br ZINC000069125392 507414630 /nfs/dbraw/zinc/41/46/30/507414630.db2.gz MQFQCFGFJQZMEC-QMMMGPOBSA-N -1 3 364.290 2.592 50 0 FFAAHM CCc1nnc([N-]C(=O)c2cnn(-c3ccccn3)c2C(F)(F)F)s1 ZINC000024574784 507421691 /nfs/dbraw/zinc/42/16/91/507421691.db2.gz URNKQWXGQFHLKT-UHFFFAOYSA-N -1 3 368.344 2.952 50 0 FFAAHM CCCOc1cccc(C(=O)Nc2cccc([C@]3(C)NC(=O)[N-]C3=O)c2)c1 ZINC000048365905 507510297 /nfs/dbraw/zinc/51/02/97/507510297.db2.gz AAQQMTOPWZEEME-FQEVSTJZSA-N -1 3 367.405 2.782 50 0 FFAAHM O=C([O-])COc1ccccc1CN1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000072129101 507753739 /nfs/dbraw/zinc/75/37/39/507753739.db2.gz NTSNBJPEEPUYIP-UHFFFAOYSA-N -1 3 366.417 2.636 50 0 FFAAHM CC(C)(C)SCCOC(=O)CC[N-]S(=O)(=O)c1ccccc1F ZINC000079110465 507933632 /nfs/dbraw/zinc/93/36/32/507933632.db2.gz OCTKEYZFIQMLIA-UHFFFAOYSA-N -1 3 363.476 2.569 50 0 FFAAHM Cc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3F)c[nH]2)o1 ZINC000075427944 508106684 /nfs/dbraw/zinc/10/66/84/508106684.db2.gz RXDFELZBGYFYOA-UHFFFAOYSA-N -1 3 356.766 2.966 50 0 FFAAHM COc1ccccc1[C@H]1CNC(=O)c2nc(-c3nc(C)cc(C)n3)[n-]c2C1 ZINC000095355490 508174875 /nfs/dbraw/zinc/17/48/75/508174875.db2.gz KYNVKGROEBANNX-CYBMUJFWSA-N -1 3 363.421 2.562 50 0 FFAAHM COc1ccccc1[C@H]1CNC(=O)c2[n-]c(-c3nc(C)cc(C)n3)nc2C1 ZINC000095355490 508174878 /nfs/dbraw/zinc/17/48/78/508174878.db2.gz KYNVKGROEBANNX-CYBMUJFWSA-N -1 3 363.421 2.562 50 0 FFAAHM O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCC(c2ncc[nH]2)CC1 ZINC000095526214 508195683 /nfs/dbraw/zinc/19/56/83/508195683.db2.gz IKNOVXJLLNKURU-UHFFFAOYSA-N -1 3 356.813 2.924 50 0 FFAAHM CCN(CC)CC[N-]S(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000076825403 508256266 /nfs/dbraw/zinc/25/62/66/508256266.db2.gz DYTIRDOYMFGYQN-UHFFFAOYSA-N -1 3 355.287 2.622 50 0 FFAAHM CC(=O)Nc1ccc(-c2nccn2Cc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000077355550 508304405 /nfs/dbraw/zinc/30/44/05/508304405.db2.gz ODCRKSAWCIGBTO-UHFFFAOYSA-N -1 3 359.393 2.737 50 0 FFAAHM CC(=O)Nc1ccc(-c2nccn2Cc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000077355550 508304407 /nfs/dbraw/zinc/30/44/07/508304407.db2.gz ODCRKSAWCIGBTO-UHFFFAOYSA-N -1 3 359.393 2.737 50 0 FFAAHM Cc1ccc2nc(C)cc(C(=O)N3CCC[C@H](c4cc(=O)[n-]cn4)C3)c2c1 ZINC000077470267 508320139 /nfs/dbraw/zinc/32/01/39/508320139.db2.gz YHQMIEBMQJHWIW-HNNXBMFYSA-N -1 3 362.433 2.955 50 0 FFAAHM COc1cc(CN2CCC[C@H](C(=O)c3nccn3C)C2)cc(Cl)c1[O-] ZINC000077536106 508329962 /nfs/dbraw/zinc/32/99/62/508329962.db2.gz RPPIBOABHFNUJQ-ZDUSSCGKSA-N -1 3 363.845 2.883 50 0 FFAAHM C[C@H](c1ccc(Br)cc1)N1CCN(CCCC(=O)[O-])CC1 ZINC000173854856 509819039 /nfs/dbraw/zinc/81/90/39/509819039.db2.gz XNWNMTBBPYESPS-CYBMUJFWSA-N -1 3 355.276 2.993 50 0 FFAAHM Cn1ccc2cc([C@H](O)C[N-]S(=O)(=O)c3ccc(Cl)s3)ccc21 ZINC000252490203 509842597 /nfs/dbraw/zinc/84/25/97/509842597.db2.gz KLVNRXANWHVQGR-CYBMUJFWSA-N -1 3 370.883 2.905 50 0 FFAAHM O=C(N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1onc2c1CCCC2 ZINC000426420414 513935699 /nfs/dbraw/zinc/93/56/99/513935699.db2.gz SAAONICAJIHHAA-HAQNSBGRSA-N -1 3 354.410 2.602 50 0 FFAAHM COCCC[C@H]1CCCCN1C(=O)c1ccc(-c2cc(=O)[n-]c(N)n2)cc1 ZINC000426612214 513994657 /nfs/dbraw/zinc/99/46/57/513994657.db2.gz CFDWXVWVAFAKOM-MRXNPFEDSA-N -1 3 370.453 2.853 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](O)c1ccc(-c2ccsc2)o1 ZINC000575611804 518234851 /nfs/dbraw/zinc/23/48/51/518234851.db2.gz XNOMBMVZCOCLFQ-GFCCVEGCSA-N -1 3 368.436 2.625 50 0 FFAAHM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(N3CCOCC3)cc2)cc1 ZINC000002654765 534876693 /nfs/dbraw/zinc/87/66/93/534876693.db2.gz GNOMIQANUINIGR-UHFFFAOYSA-N -1 3 360.435 2.527 50 0 FFAAHM Cc1ccc(F)c(S(=O)(=O)[N-]Cc2cccc(N3CCOC3=O)c2)c1 ZINC000047266744 570884119 /nfs/dbraw/zinc/88/41/19/570884119.db2.gz IDGHRVVFFAWDSG-UHFFFAOYSA-N -1 3 364.398 2.569 50 0 FFAAHM CNc1c2ccccc2oc(=O)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000045962107 570917415 /nfs/dbraw/zinc/91/74/15/570917415.db2.gz ODRVWUWRRYHHRG-UHFFFAOYSA-N -1 3 366.345 2.914 50 0 FFAAHM CSc1nccn1-c1ccc(C(=O)Nc2nnc(C(F)(F)F)[n-]2)cc1 ZINC000048302408 570945245 /nfs/dbraw/zinc/94/52/45/570945245.db2.gz WAOVXXVHFFTCLD-UHFFFAOYSA-N -1 3 368.344 2.983 50 0 FFAAHM CSc1nccn1-c1ccc(C(=O)Nc2nc(C(F)(F)F)n[n-]2)cc1 ZINC000048302408 570945249 /nfs/dbraw/zinc/94/52/49/570945249.db2.gz WAOVXXVHFFTCLD-UHFFFAOYSA-N -1 3 368.344 2.983 50 0 FFAAHM CC(C)Cc1cc(C(=O)N[C@@H]2CCCN(Cc3cccs3)C2)[n-]c(=O)n1 ZINC000670444633 571349898 /nfs/dbraw/zinc/34/98/98/571349898.db2.gz OKSFSRDTCHKVTE-CQSZACIVSA-N -1 3 374.510 2.837 50 0 FFAAHM COc1ccccc1[C@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119214786 975741812 /nfs/dbraw/zinc/74/18/12/975741812.db2.gz FDLMKNVJIQHPEU-OAHLLOKOSA-N -1 3 352.394 2.660 50 0 FFAAHM O=C(c1nnc2ccccc2c1[O-])N1CCC(Oc2ccc(F)cc2)CC1 ZINC000115722541 1011512938 /nfs/dbraw/zinc/51/29/38/1011512938.db2.gz QIQJDKPWCATBJX-UHFFFAOYSA-N -1 3 367.380 2.746 50 0 FFAAHM C[C@H](Oc1ccccc1CN1CCCN(Cc2cccnc2)CC1)C(=O)[O-] ZINC000072158338 1019833756 /nfs/dbraw/zinc/83/37/56/1019833756.db2.gz YRVCBRSIFDPUHE-KRWDZBQOSA-N -1 3 369.465 2.641 50 0 FFAAHM c1ccc(-n2nc(-c3n[n-]c(-c4ccncc4)n3)c(N3CCCC3)n2)cc1 ZINC000033435934 210168648 /nfs/dbraw/zinc/16/86/48/210168648.db2.gz VVXYZBFNLNSWHF-UHFFFAOYSA-N -1 3 358.409 2.715 50 0 FFAAHM CCCCN1CCn2nc(CNC(=O)c3ccc([O-])c(Cl)c3)cc2C1 ZINC000299773537 210019241 /nfs/dbraw/zinc/01/92/41/210019241.db2.gz FKSACIWKSATIGB-UHFFFAOYSA-N -1 3 362.861 2.788 50 0 FFAAHM CCCCSCc1cc(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])N(C)C2)oc1C ZINC000299766711 210014307 /nfs/dbraw/zinc/01/43/07/210014307.db2.gz KREYDFYUKKZVKQ-KGLIPLIRSA-N -1 3 354.472 2.508 50 0 FFAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@H]1COC2(CCCCC2)O1 ZINC000038936646 211457998 /nfs/dbraw/zinc/45/79/98/211457998.db2.gz SAFFWDXFFMTUMU-CQSZACIVSA-N -1 3 359.875 2.835 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3cc4c(nc3Cl)CCC4)C2)cc(=O)[n-]1 ZINC000023506971 211391068 /nfs/dbraw/zinc/39/10/68/211391068.db2.gz BJBARQRBMAAKQX-CYBMUJFWSA-N -1 3 372.856 2.635 50 0 FFAAHM CN(C)C(=O)c1ccc(S(=O)(=O)[N-]CCc2ccc(Cl)cc2)s1 ZINC000021636926 211318794 /nfs/dbraw/zinc/31/87/94/211318794.db2.gz GHJSONBNIJCIRM-UHFFFAOYSA-N -1 3 372.899 2.624 50 0 FFAAHM Cc1ccc(NC(=O)c2nc(-n3cnnc3)ccc2Br)c([O-])c1 ZINC000021721217 211322347 /nfs/dbraw/zinc/32/23/47/211322347.db2.gz CQEDUGRUMLRODN-UHFFFAOYSA-N -1 3 374.198 2.691 50 0 FFAAHM Cc1cccc(OCc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)no2)c1 ZINC000021702480 211320262 /nfs/dbraw/zinc/32/02/62/211320262.db2.gz ISXJEGRDNLXTEA-UHFFFAOYSA-N -1 3 359.407 2.996 50 0 FFAAHM O=c1cc(-c2ccc(O)cc2)nc(-c2ccc(CN3CCOCC3)cc2)[n-]1 ZINC000020452748 211282050 /nfs/dbraw/zinc/28/20/50/211282050.db2.gz MZKYKMKFZWDPCU-UHFFFAOYSA-N -1 3 363.417 2.642 50 0 FFAAHM CC(C)CCn1c(=O)[n-]c(=O)c2c3c(cnc21)C(=O)C[C@@H](c1ccco1)C3 ZINC000019962249 211263936 /nfs/dbraw/zinc/26/39/36/211263936.db2.gz DCQNMIFXTJMHMG-LBPRGKRZSA-N -1 3 367.405 2.637 50 0 FFAAHM CCOc1ccc2nc(NC(=O)CCc3c(C)nc(C)[n-]c3=O)sc2c1 ZINC000016469166 211160591 /nfs/dbraw/zinc/16/05/91/211160591.db2.gz JKIRZFRALKDJAW-UHFFFAOYSA-N -1 3 372.450 2.966 50 0 FFAAHM O=C(C1=CCCCC1)N1CCC[C@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000015075481 211119246 /nfs/dbraw/zinc/11/92/46/211119246.db2.gz IHUTWOSEEXSTBU-CQSZACIVSA-N -1 3 368.524 2.765 50 0 FFAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@H]1CC=CCC1 ZINC000014137502 211077081 /nfs/dbraw/zinc/07/70/81/211077081.db2.gz MRYJXNXMZCNQEY-NSHDSACASA-N -1 3 362.373 2.822 50 0 FFAAHM COc1ccc([C@H](C)NC(=O)CCc2c(C)[nH]c(=S)[n-]c2=O)cc1F ZINC000012905780 211005137 /nfs/dbraw/zinc/00/51/37/211005137.db2.gz DXRRPRKIOXOVPP-VIFPVBQESA-N -1 3 365.430 2.699 50 0 FFAAHM CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1n[n-]c(=S)[nH]c1=O ZINC000012857331 211000238 /nfs/dbraw/zinc/00/02/38/211000238.db2.gz RPYUTYVNHBINSC-UHFFFAOYSA-N -1 3 373.265 2.725 50 0 FFAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@H]1c1cccs1 ZINC000008774842 210804313 /nfs/dbraw/zinc/80/43/13/210804313.db2.gz KQQOQQLWJBWWGJ-HNNXBMFYSA-N -1 3 363.464 2.817 50 0 FFAAHM COC(=O)c1cc(Br)cc(I)c1[O-] ZINC000003165130 210452704 /nfs/dbraw/zinc/45/27/04/210452704.db2.gz VSSVFOUMITYFEN-UHFFFAOYSA-N -1 3 356.941 2.546 50 0 FFAAHM CCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000002058313 210378244 /nfs/dbraw/zinc/37/82/44/210378244.db2.gz ILDUOCOEZKKKBH-AWEZNQCLSA-N -1 3 368.817 2.978 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000000820274 210275415 /nfs/dbraw/zinc/27/54/15/210275415.db2.gz JNYGDGHCLQSDSV-NSHDSACASA-N -1 3 351.122 2.922 50 0 FFAAHM COCCOc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)c(C)c1 ZINC000055643477 221072500 /nfs/dbraw/zinc/07/25/00/221072500.db2.gz WOYYQSVNZJPXCU-UHFFFAOYSA-N -1 3 363.435 2.756 50 0 FFAAHM Cc1nnnn1-c1ccc(F)c([N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000057784034 221094233 /nfs/dbraw/zinc/09/42/33/221094233.db2.gz KOMCVBJDICQRPB-UHFFFAOYSA-N -1 3 367.793 2.564 50 0 FFAAHM CS(=O)(=O)[N-]c1ccccc1NC(=O)CCCOc1ccccc1F ZINC000059893417 221127802 /nfs/dbraw/zinc/12/78/02/221127802.db2.gz GWCYIKJGBQMUEC-UHFFFAOYSA-N -1 3 366.414 2.995 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C(C)C)C3=O)c(F)c1 ZINC000065254787 221189322 /nfs/dbraw/zinc/18/93/22/221189322.db2.gz ISOWBYKJRPKXOM-UHFFFAOYSA-N -1 3 365.430 2.601 50 0 FFAAHM CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2ccc(Oc3ccccc3)cc2)C1 ZINC000065526363 221229169 /nfs/dbraw/zinc/22/91/69/221229169.db2.gz WYOGBQAPXURODI-QAPCUYQASA-N -1 3 354.406 2.708 50 0 FFAAHM Cc1noc2ccc(CN3CCC(c4cc(CC(=O)[O-])[nH]n4)CC3)cc12 ZINC000067587250 221258850 /nfs/dbraw/zinc/25/88/50/221258850.db2.gz GMKKUCUPBSYMIT-UHFFFAOYSA-N -1 3 354.410 2.866 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@H](N(C)Cc1ncc(C)c(OC)c1C)C2 ZINC000067677457 221270498 /nfs/dbraw/zinc/27/04/98/221270498.db2.gz RUSZEHXPSZRMJO-AWEZNQCLSA-N -1 3 372.469 2.611 50 0 FFAAHM CCn1nc(CN[C@@H]2CCc3c(c(C(=O)[O-])nn3CC)C2)c2ccccc21 ZINC000067788441 221285176 /nfs/dbraw/zinc/28/51/76/221285176.db2.gz XPIWHDNWMFEZMN-CYBMUJFWSA-N -1 3 367.453 2.618 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1nc3cc(C)ccc3[nH]1)C2 ZINC000067920851 221305371 /nfs/dbraw/zinc/30/53/71/221305371.db2.gz RFOXRYZNQIGTOT-CYBMUJFWSA-N -1 3 367.453 2.775 50 0 FFAAHM CCn1nc(C(=O)[O-])c2c1CC[C@@H](N(C)Cc1nc3ccc(C)cc3[nH]1)C2 ZINC000067920851 221305374 /nfs/dbraw/zinc/30/53/74/221305374.db2.gz RFOXRYZNQIGTOT-CYBMUJFWSA-N -1 3 367.453 2.775 50 0 FFAAHM Cc1ncc(CC(=O)N2CCC[C@@H](CCc3ccccc3F)C2)c(=O)[n-]1 ZINC000071750549 221362522 /nfs/dbraw/zinc/36/25/22/221362522.db2.gz USXZZVHMMOVVBA-HNNXBMFYSA-N -1 3 357.429 2.631 50 0 FFAAHM O=C1C[C@@H](Sc2nnc(-c3ccccc3[O-])o2)C(=O)N1c1ccccc1 ZINC000100285073 222240878 /nfs/dbraw/zinc/24/08/78/222240878.db2.gz LVJLMFNHFSOLJO-CQSZACIVSA-N -1 3 367.386 2.866 50 0 FFAAHM Cc1ccc([O-])c(C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)c1 ZINC000025211454 263388502 /nfs/dbraw/zinc/38/85/02/263388502.db2.gz KRKNOURJWPBDBM-UHFFFAOYSA-N -1 3 356.397 2.874 50 0 FFAAHM CCOC(=O)C1C(C)=NC(=S)N[C@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000005906125 506461224 /nfs/dbraw/zinc/46/12/24/506461224.db2.gz QSSOLBGDXTZHNR-ZDUSSCGKSA-N -1 3 370.858 2.800 50 0 FFAAHM CCCCNC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000003032696 506307140 /nfs/dbraw/zinc/30/71/40/506307140.db2.gz ILJZQHFHHKUXSO-MRXNPFEDSA-N -1 3 364.467 2.914 50 0 FFAAHM O=C(c1cc2c(cc1[O-])CCCC2)N1CCN(c2ccc(O)cc2)CC1 ZINC000065616938 506334205 /nfs/dbraw/zinc/33/42/05/506334205.db2.gz SVHKZCONOXKCPQ-UHFFFAOYSA-N -1 3 352.434 2.939 50 0 FFAAHM O=C1N[C@H](c2cccs2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000004183803 506364380 /nfs/dbraw/zinc/36/43/80/506364380.db2.gz VTKDNOOWBIARLM-YWPYICTPSA-N -1 3 370.352 2.852 50 0 FFAAHM COc1ccccc1CNC(=O)Cc1c(C)c2ccc([O-])c(C)c2oc1=O ZINC000004540673 506381874 /nfs/dbraw/zinc/38/18/74/506381874.db2.gz GXHZEGNWNIAEOF-UHFFFAOYSA-N -1 3 367.401 2.983 50 0 FFAAHM CCOC(=O)[C@H](C)Sc1nc2c(cnn2-c2ccc(C)c(C)c2)c(=O)[n-]1 ZINC000005928326 506460896 /nfs/dbraw/zinc/46/08/96/506460896.db2.gz PARUQLVCRSBMMD-LBPRGKRZSA-N -1 3 372.450 2.769 50 0 FFAAHM C[C@H](Sc1n[n-]c(-c2cccs2)n1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000006035452 506465082 /nfs/dbraw/zinc/46/50/82/506465082.db2.gz KKXQJZWVCICYNP-VIFPVBQESA-N -1 3 373.463 2.751 50 0 FFAAHM Cc1ccccc1SCC(=O)Nc1cccc([C@]2(C)NC(=O)[N-]C2=O)c1 ZINC000040111259 506468970 /nfs/dbraw/zinc/46/89/70/506468970.db2.gz CSYRXWRSPLWIHR-IBGZPJMESA-N -1 3 369.446 2.780 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cc(-c3ccc(F)cc3)n[nH]2)N1 ZINC000006394468 506481306 /nfs/dbraw/zinc/48/13/06/506481306.db2.gz FWEHJSZVJYTTPQ-CQSZACIVSA-N -1 3 356.279 2.689 50 0 FFAAHM O=c1[n-]c(SCc2ccc(Cl)c(Cl)c2)nc2c1cnn2CCO ZINC000007418536 506562452 /nfs/dbraw/zinc/56/24/52/506562452.db2.gz SPJMAWWFNUNQAP-UHFFFAOYSA-N -1 3 371.249 2.711 50 0 FFAAHM C[C@@H](Sc1n[n-]c([C@H]2CCCO2)n1)C(=O)Nc1ccc(Cl)cn1 ZINC000008940252 506674181 /nfs/dbraw/zinc/67/41/81/506674181.db2.gz HJGKRUNNNJKCRN-PSASIEDQSA-N -1 3 353.835 2.824 50 0 FFAAHM CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1 ZINC000008961542 506675341 /nfs/dbraw/zinc/67/53/41/506675341.db2.gz ZCFDJSLRTPQPTN-UHFFFAOYSA-N -1 3 374.462 2.904 50 0 FFAAHM CC(C)(C)c1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)NCCO3)cc1 ZINC000008961765 506675984 /nfs/dbraw/zinc/67/59/84/506675984.db2.gz XTUIBKZXNNSAIM-UHFFFAOYSA-N -1 3 374.462 2.907 50 0 FFAAHM Cc1ccc(-n2nnnc2SCC(=O)Nc2ccccc2[O-])cc1C ZINC000009295418 506688835 /nfs/dbraw/zinc/68/88/35/506688835.db2.gz KXZBJZJDZSABJV-UHFFFAOYSA-N -1 3 355.423 2.716 50 0 FFAAHM CCCCNC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000010029428 506722859 /nfs/dbraw/zinc/72/28/59/506722859.db2.gz NURLVXFTERMUSV-UHFFFAOYSA-N -1 3 357.439 2.530 50 0 FFAAHM O=C(CSc1nnc(NC2CCCCC2)s1)[N-]C(=O)c1ccco1 ZINC000012722156 506892358 /nfs/dbraw/zinc/89/23/58/506892358.db2.gz XHSAQPLECZNXAI-UHFFFAOYSA-N -1 3 366.468 2.924 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(Cn2cccn2)cc1)c1ccc(F)c(F)c1 ZINC000012852787 506909166 /nfs/dbraw/zinc/90/91/66/506909166.db2.gz YHMPPGBZLGYWHQ-UHFFFAOYSA-N -1 3 363.389 2.688 50 0 FFAAHM O=C(Nc1ccc(N2CCOCC2)c2ccncc12)c1ccc2n[n-]nc2c1 ZINC000024148937 507395280 /nfs/dbraw/zinc/39/52/80/507395280.db2.gz ZYWZLOPRZHMKSI-UHFFFAOYSA-N -1 3 374.404 2.595 50 0 FFAAHM COC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 ZINC000024485343 507415852 /nfs/dbraw/zinc/41/58/52/507415852.db2.gz MUMJJSSXIUEYOM-LBPRGKRZSA-N -1 3 361.391 2.609 50 0 FFAAHM COC(=O)c1c(C)nc(=O)[n-]c1SCc1cc(Cl)ccc1OC ZINC000024760099 507437083 /nfs/dbraw/zinc/43/70/83/507437083.db2.gz AUEXOPNDPDDCLF-UHFFFAOYSA-N -1 3 354.815 2.819 50 0 FFAAHM NC(=O)Nc1ccc(C[N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC000024839371 507443129 /nfs/dbraw/zinc/44/31/29/507443129.db2.gz WVGQCAHHIUHQGD-UHFFFAOYSA-N -1 3 374.249 2.963 50 0 FFAAHM CCS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(CC(C)C)s1 ZINC000025871208 507539051 /nfs/dbraw/zinc/53/90/51/507539051.db2.gz PUESZZDQVRMKJE-UHFFFAOYSA-N -1 3 353.469 2.783 50 0 FFAAHM O=C([O-])C1(n2ccnc2)CCN(Cc2c[nH]nc2C2CCCCC2)CC1 ZINC000072473196 507795125 /nfs/dbraw/zinc/79/51/25/507795125.db2.gz YJTHIYCLIVPUSR-UHFFFAOYSA-N -1 3 357.458 2.730 50 0 FFAAHM CCn1nc(C)c(CN2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)c1C ZINC000091350835 507982472 /nfs/dbraw/zinc/98/24/72/507982472.db2.gz MCIFGNWSVDVYSZ-DLBZAZTESA-N -1 3 371.437 2.549 50 0 FFAAHM COCCCN1CC2(CCC1=O)CCN(C(=O)c1cc(C)ccc1[O-])CC2 ZINC000091619982 507996641 /nfs/dbraw/zinc/99/66/41/507996641.db2.gz OKZMDYDGGSTFAA-UHFFFAOYSA-N -1 3 374.481 2.582 50 0 FFAAHM Cc1ccsc1[C@@H](CNC(=O)c1cnc(C(C)(C)C)[n-]c1=O)N(C)C ZINC000092062441 508038961 /nfs/dbraw/zinc/03/89/61/508038961.db2.gz PHEUGDIYOLSMQC-CYBMUJFWSA-N -1 3 362.499 2.882 50 0 FFAAHM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCCN(Cc2ccncc2)CC1 ZINC000095375823 508179988 /nfs/dbraw/zinc/17/99/88/508179988.db2.gz YCBWXLNASWLWAW-FQEVSTJZSA-N -1 3 369.465 2.732 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)C3=Cc4ccccc4OC=C3)C2)cc(=O)[n-]1 ZINC000095388727 508182984 /nfs/dbraw/zinc/18/29/84/508182984.db2.gz VDYSUHFBFUOBAJ-KRWDZBQOSA-N -1 3 363.417 2.774 50 0 FFAAHM CN(C(=O)c1ccc(CN2CCCCC2)cc1)[C@@H](C(=O)[O-])c1cccnc1 ZINC000095390883 508183644 /nfs/dbraw/zinc/18/36/44/508183644.db2.gz ZEVRWTXLGIPZJH-LJQANCHMSA-N -1 3 367.449 2.965 50 0 FFAAHM CCOC(=O)c1nc[n-]c1NC(=O)Cc1nc(-c2cccs2)oc1C ZINC000095983206 508200546 /nfs/dbraw/zinc/20/05/46/508200546.db2.gz CGPZVJXPGQJDQW-UHFFFAOYSA-N -1 3 360.395 2.793 50 0 FFAAHM CCOC(=O)c1[n-]cnc1NC(=O)Cc1nc(-c2cccs2)oc1C ZINC000095983206 508200548 /nfs/dbraw/zinc/20/05/48/508200548.db2.gz CGPZVJXPGQJDQW-UHFFFAOYSA-N -1 3 360.395 2.793 50 0 FFAAHM Cc1nc(C2CCN(C(=O)c3cc4ccccc4n3C)CC2)cc(=O)[n-]1 ZINC000082121585 508225840 /nfs/dbraw/zinc/22/58/40/508225840.db2.gz ORWWWAPAWMWXAU-UHFFFAOYSA-N -1 3 350.422 2.590 50 0 FFAAHM O=C([O-])Cc1ccc(CN2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077517943 508326743 /nfs/dbraw/zinc/32/67/43/508326743.db2.gz UDZHDRDJGFFZSA-OAQYLSRUSA-N -1 3 356.466 2.681 50 0 FFAAHM O=c1cc(C(F)(F)F)nc(C[S@](=O)Cc2csc(C3CC3)n2)[n-]1 ZINC000134439259 508531969 /nfs/dbraw/zinc/53/19/69/508531969.db2.gz GDLUBAUTOHTTIK-QHCPKHFHSA-N -1 3 363.386 2.984 50 0 FFAAHM CCOc1cc(CN2CCN(CC)C(C)(C)C2)ccc1O[C@@H](C)C(=O)[O-] ZINC000216438218 509262178 /nfs/dbraw/zinc/26/21/78/509262178.db2.gz WJCBKAVGUWINSJ-HNNXBMFYSA-N -1 3 364.486 2.853 50 0 FFAAHM Cc1ccc(Cc2nnc([N-]C(=O)c3cnn4ncccc34)s2)cc1 ZINC000170596613 509673587 /nfs/dbraw/zinc/67/35/87/509673587.db2.gz UOCHMHSMEBRXSL-UHFFFAOYSA-N -1 3 350.407 2.732 50 0 FFAAHM O=C(c1ccc([O-])cc1)N1CCN(c2nc(C(F)(F)F)cs2)CC1 ZINC000269268483 510316024 /nfs/dbraw/zinc/31/60/24/510316024.db2.gz CLNUWALKEKZPET-UHFFFAOYSA-N -1 3 357.357 2.830 50 0 FFAAHM CN(Cc1[nH]nc2c1CCCCC2)C(=O)c1[n-]c(=O)nc2ccccc21 ZINC000426517777 513966763 /nfs/dbraw/zinc/96/67/63/513966763.db2.gz FFNOPXYMCZILMV-UHFFFAOYSA-N -1 3 351.410 2.600 50 0 FFAAHM CN(Cc1n[nH]c2c1CCCCC2)C(=O)c1[n-]c(=O)nc2ccccc21 ZINC000426517777 513966768 /nfs/dbraw/zinc/96/67/68/513966768.db2.gz FFNOPXYMCZILMV-UHFFFAOYSA-N -1 3 351.410 2.600 50 0 FFAAHM CC(C)NCc1cc(=O)n2nc(NCc3ccc(C(C)C)cc3)[n-]c2n1 ZINC000101796806 570823808 /nfs/dbraw/zinc/82/38/08/570823808.db2.gz IBEMDEJYQAUEFA-UHFFFAOYSA-N -1 3 354.458 2.651 50 0 FFAAHM O=C(CCc1cnn(-c2ccccc2)c1)Nc1nnc(-c2ccccn2)[n-]1 ZINC000047342844 570885703 /nfs/dbraw/zinc/88/57/03/570885703.db2.gz FZYFGXVHNKYGMR-UHFFFAOYSA-N -1 3 359.393 2.624 50 0 FFAAHM O=C(CCc1cnn(-c2ccccc2)c1)Nc1nc(-c2ccccn2)n[n-]1 ZINC000047342844 570885706 /nfs/dbraw/zinc/88/57/06/570885706.db2.gz FZYFGXVHNKYGMR-UHFFFAOYSA-N -1 3 359.393 2.624 50 0 FFAAHM O=C(CCc1cnn(-c2ccccc2)c1)Nc1n[n-]c(-c2ccccn2)n1 ZINC000047342844 570885709 /nfs/dbraw/zinc/88/57/09/570885709.db2.gz FZYFGXVHNKYGMR-UHFFFAOYSA-N -1 3 359.393 2.624 50 0 FFAAHM Cc1cccnc1NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1 ZINC000048314050 570947058 /nfs/dbraw/zinc/94/70/58/570947058.db2.gz BNMNOKYXQMFIAF-UHFFFAOYSA-N -1 3 363.439 2.558 50 0 FFAAHM Cc1nc(-c2ccncc2)[n-]c(=O)c1CCC(=O)N(C)[C@@H](C)c1ccco1 ZINC000195342463 975342706 /nfs/dbraw/zinc/34/27/06/975342706.db2.gz SZRGDWAPVXSARZ-AWEZNQCLSA-N -1 3 366.421 2.886 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCC(Oc3ccncc3)CC2)cc1OC ZINC001529172142 1062198920 /nfs/dbraw/zinc/19/89/20/1062198920.db2.gz JZPKDDBIDBQQGD-LJQANCHMSA-N -1 3 372.421 2.768 50 0 FFAAHM O=C1C[C@@H](C[N-]S(=O)(=O)c2cccs2)CN1c1ccc(Cl)cc1 ZINC000009036699 210247675 /nfs/dbraw/zinc/24/76/75/210247675.db2.gz VOZKIOVAKFQXFC-NSHDSACASA-N -1 3 370.883 2.733 50 0 FFAAHM CC(=O)Nc1cccc(NC(=O)N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)c1 ZINC000299774102 210022045 /nfs/dbraw/zinc/02/20/45/210022045.db2.gz GKCXFNFFUGJBRG-AWEZNQCLSA-N -1 3 369.425 2.861 50 0 FFAAHM CCn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1ccccc1C ZINC000009095813 219874681 /nfs/dbraw/zinc/87/46/81/219874681.db2.gz GKTHECNNVVOIPX-UHFFFAOYSA-N -1 3 361.496 2.585 50 0 FFAAHM Cc1cccc(-c2ncc(CNCc3cccc(-c4nnn[n-]4)c3)cn2)c1 ZINC000063855822 212035894 /nfs/dbraw/zinc/03/58/94/212035894.db2.gz KJJYWKADBJZSRL-UHFFFAOYSA-N -1 3 357.421 2.922 50 0 FFAAHM Cc1cccc(-c2ncc(CNCc3cccc(-c4nn[n-]n4)c3)cn2)c1 ZINC000063855822 212035898 /nfs/dbraw/zinc/03/58/98/212035898.db2.gz KJJYWKADBJZSRL-UHFFFAOYSA-N -1 3 357.421 2.922 50 0 FFAAHM Cc1nnnn1-c1cc([N-]S(=O)(=O)c2ccc(C)c(C)c2)ccc1C ZINC000060362399 212021720 /nfs/dbraw/zinc/02/17/20/212021720.db2.gz KUSSBUKJGSCJKO-UHFFFAOYSA-N -1 3 357.439 2.697 50 0 FFAAHM O=C(CN1CCC(C(=O)Nc2ccccc2[O-])CC1)Nc1cccc(F)c1 ZINC000015042880 220142954 /nfs/dbraw/zinc/14/29/54/220142954.db2.gz MFMIMRWCRDXHAZ-UHFFFAOYSA-N -1 3 371.412 2.821 50 0 FFAAHM Cc1ccc(C2(C(=O)N3CCC(c4cc(=O)[n-]c(C)n4)CC3)CC2)cc1 ZINC000023153514 211378110 /nfs/dbraw/zinc/37/81/10/211378110.db2.gz NAEQQJNYOKYEJR-UHFFFAOYSA-N -1 3 351.450 2.825 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)cc(=O)[n-]1 ZINC000023430455 211389715 /nfs/dbraw/zinc/38/97/15/211389715.db2.gz SXQRAAGYYHHQBO-IAGOWNOFSA-N -1 3 351.450 2.904 50 0 FFAAHM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017076679 211179595 /nfs/dbraw/zinc/17/95/95/211179595.db2.gz WMJCNKBIEZGBFB-SSAUXNHXSA-N -1 3 374.525 2.990 50 0 FFAAHM CCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2c1c(=O)[n-]c(=O)n2CC ZINC000014166099 211079840 /nfs/dbraw/zinc/07/98/40/211079840.db2.gz XDYCMYBLKXEDOP-UHFFFAOYSA-N -1 3 373.796 2.602 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1ccc(OC(F)F)cc1 ZINC000012905789 211005757 /nfs/dbraw/zinc/00/57/57/211005757.db2.gz RZVVNPSTFHSPNQ-UHFFFAOYSA-N -1 3 355.366 2.914 50 0 FFAAHM Cc1ccc(C(=O)CSc2nnc3[n-]c(=O)c(C(C)(C)C)nn32)cc1C ZINC000004251423 210517898 /nfs/dbraw/zinc/51/78/98/210517898.db2.gz ZOFYABBGLQFDCH-UHFFFAOYSA-N -1 3 371.466 2.702 50 0 FFAAHM CC(C)Cn1nc(C(=O)[O-])c2c1CC[C@H](N1CCOc3ccccc3C1)C2 ZINC000067604235 221262456 /nfs/dbraw/zinc/26/24/56/221262456.db2.gz ACBCOGQDMDYWEZ-INIZCTEOSA-N -1 3 369.465 2.989 50 0 FFAAHM CC1(C)C[C@H](n2[n-]c(=O)c3c2NC(=O)CS[C@H]3c2cccnc2)CCO1 ZINC000096230803 222090735 /nfs/dbraw/zinc/09/07/35/222090735.db2.gz JWUFHKMNQOWBFV-DOMZBBRYSA-N -1 3 374.466 2.889 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1nccs1 ZINC000096569844 222125342 /nfs/dbraw/zinc/12/53/42/222125342.db2.gz XXGGEHFNINDREB-MSKHEQNASA-N -1 3 365.480 2.697 50 0 FFAAHM CCOC(=O)c1[n-]cnc1C(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000097515034 222187875 /nfs/dbraw/zinc/18/78/75/222187875.db2.gz NEKWZNVRCAQLSP-UHFFFAOYSA-N -1 3 359.279 2.674 50 0 FFAAHM CCOC(=O)c1nc[n-]c1C(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000097515034 222187878 /nfs/dbraw/zinc/18/78/78/222187878.db2.gz NEKWZNVRCAQLSP-UHFFFAOYSA-N -1 3 359.279 2.674 50 0 FFAAHM CCOC(=O)[C@]([O-])(CC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002769560 506291965 /nfs/dbraw/zinc/29/19/65/506291965.db2.gz LPQYAEUOVJKAFS-GFCCVEGCSA-N -1 3 373.249 2.891 50 0 FFAAHM CCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000004189538 506363616 /nfs/dbraw/zinc/36/36/16/506363616.db2.gz HJWWOFVIQOFRPJ-CYBMUJFWSA-N -1 3 354.790 2.635 50 0 FFAAHM O=S(=O)([N-][C@@H]1CCN(Cc2ccccc2)C1)c1ccc(Cl)s1 ZINC000034200747 506366356 /nfs/dbraw/zinc/36/63/56/506366356.db2.gz CABQFYUGTZDJGO-CYBMUJFWSA-N -1 3 356.900 2.954 50 0 FFAAHM O=S(=O)([N-]Cc1nc2ccccc2s1)c1cccc2nsnc21 ZINC000036321371 506402192 /nfs/dbraw/zinc/40/21/92/506402192.db2.gz WBHBRSDJQZNAHR-UHFFFAOYSA-N -1 3 362.461 2.780 50 0 FFAAHM CCc1nnc([N-]C(=O)c2sc3nc(C)cc(COC)c3c2N)s1 ZINC000006179773 506470819 /nfs/dbraw/zinc/47/08/19/506470819.db2.gz BLOBTPLLZXIASQ-UHFFFAOYSA-N -1 3 363.468 3.000 50 0 FFAAHM O=S(=O)([N-]Cc1nc(-c2ccc(Cl)cc2)no1)c1cccs1 ZINC000041154179 506494418 /nfs/dbraw/zinc/49/44/18/506494418.db2.gz KZHQJYHTQNIVNG-UHFFFAOYSA-N -1 3 355.828 2.930 50 0 FFAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2cccc(F)c2)CC1 ZINC000007109269 506535574 /nfs/dbraw/zinc/53/55/74/506535574.db2.gz LJJTVTRRRJAJDN-UHFFFAOYSA-N -1 3 363.458 2.768 50 0 FFAAHM O=c1nc(CS(=O)(=O)c2ccccc2)[n-]c2sc3c(c21)CCCC3 ZINC000008715539 506663474 /nfs/dbraw/zinc/66/34/74/506663474.db2.gz IJBRUYLQHDBFPF-UHFFFAOYSA-N -1 3 360.460 2.837 50 0 FFAAHM CCCOC(=O)c1ccc(NC(=O)c2c([O-])c3c([nH]c2=O)CCCC3)cc1 ZINC000008837763 506670944 /nfs/dbraw/zinc/67/09/44/506670944.db2.gz BWOPALBVFKPEOF-UHFFFAOYSA-N -1 3 370.405 2.778 50 0 FFAAHM Cc1ccc(S(=O)(=O)NCCCC(=O)Nc2ccccc2[O-])cc1C ZINC000008987197 506675554 /nfs/dbraw/zinc/67/55/54/506675554.db2.gz UEUNAXSDJFWMHZ-UHFFFAOYSA-N -1 3 362.451 2.706 50 0 FFAAHM Cc1csc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)n1 ZINC000009134831 506683392 /nfs/dbraw/zinc/68/33/92/506683392.db2.gz OEBZJWFAOSSUBQ-UHFFFAOYSA-N -1 3 362.407 2.918 50 0 FFAAHM Cc1ccc(NC2=N[C@@H](C(=O)Nc3ccccc3Cl)C=C([O-])N2)cc1 ZINC000009192446 506685638 /nfs/dbraw/zinc/68/56/38/506685638.db2.gz RFLJVGVEDLNCAO-OAHLLOKOSA-N -1 3 356.813 2.944 50 0 FFAAHM Cc1ccnc(NC(=O)COc2cc([O-])c3c(c2)OC(C)(C)CC3=O)c1 ZINC000009344289 506693899 /nfs/dbraw/zinc/69/38/99/506693899.db2.gz YPVCVMZSLPZUQZ-UHFFFAOYSA-N -1 3 356.378 2.857 50 0 FFAAHM CCn1c(SCC(=O)Nc2ccccc2[O-])nnc1-c1cccnc1 ZINC000009426905 506696098 /nfs/dbraw/zinc/69/60/98/506696098.db2.gz MMWFHQGLWNSXRQ-UHFFFAOYSA-N -1 3 355.423 2.796 50 0 FFAAHM COc1cc(/C=C2\C(=O)NC(=O)c3ccccc32)cc(Br)c1[O-] ZINC000012602197 506884684 /nfs/dbraw/zinc/88/46/84/506884684.db2.gz BIVYMFUZQUBFJG-SDQBBNPISA-N -1 3 374.190 2.974 50 0 FFAAHM Cc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCN(c4ccccn4)CC3)c2c1 ZINC000020745020 507233592 /nfs/dbraw/zinc/23/35/92/507233592.db2.gz DVWWCWSPHCDHLS-LJQANCHMSA-N -1 3 350.422 2.819 50 0 FFAAHM Cc1ccnc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccccc3F)c[nH]2)c1 ZINC000047296402 507303621 /nfs/dbraw/zinc/30/36/21/507303621.db2.gz PSWNZBGPXYUHPP-UHFFFAOYSA-N -1 3 374.397 2.910 50 0 FFAAHM O=c1[n-]c(-c2ccccc2CN2CC(n3cccn3)C2)nc2c1CCCC2 ZINC000023232153 507339207 /nfs/dbraw/zinc/33/92/07/507339207.db2.gz OLYYGDKRUGLYEO-UHFFFAOYSA-N -1 3 361.449 2.569 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]CC[C@@H](C)c2ccccc2)s1 ZINC000058193678 507383196 /nfs/dbraw/zinc/38/31/96/507383196.db2.gz HPSWDGVGDLATHC-CYBMUJFWSA-N -1 3 366.508 2.856 50 0 FFAAHM O=C(Nc1nc(C2CC2)cs1)[C@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000048033234 507439218 /nfs/dbraw/zinc/43/92/18/507439218.db2.gz PSNHVYDLNNDKPH-CQSZACIVSA-N -1 3 357.435 2.969 50 0 FFAAHM COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cccc(-c3nc(C)cc(=O)[n-]3)c2)C1 ZINC000072301574 507773427 /nfs/dbraw/zinc/77/34/27/507773427.db2.gz BLVURHCSIMYTRR-LSDHHAIUSA-N -1 3 369.421 2.663 50 0 FFAAHM Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1Cl)c1c(=O)[n-]c(=O)[nH]c1N2 ZINC000031807282 507821945 /nfs/dbraw/zinc/82/19/45/507821945.db2.gz YSNNJSAXPVZHER-JTQLQIEISA-N -1 3 364.192 2.639 50 0 FFAAHM CSc1ccccc1CN1CCC2(CCC(=O)N(CC(=O)[O-])C2)CC1 ZINC000091657273 508000263 /nfs/dbraw/zinc/00/02/63/508000263.db2.gz CYHVQQYTCZRCOX-UHFFFAOYSA-N -1 3 362.495 2.698 50 0 FFAAHM COc1cc(C)ccc1CN1CCC2(CCC(=O)N([C@@H](C)C(=O)[O-])C2)CC1 ZINC000091691588 508002832 /nfs/dbraw/zinc/00/28/32/508002832.db2.gz JRNOKWVRNNLPBP-INIZCTEOSA-N -1 3 374.481 2.681 50 0 FFAAHM CCCc1ccc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)o1 ZINC000091914747 508024266 /nfs/dbraw/zinc/02/42/66/508024266.db2.gz WGGHCIKBHPBTIX-OAHLLOKOSA-N -1 3 362.470 2.910 50 0 FFAAHM CCN(C(=O)CCc1c(C)nc(C)[n-]c1=O)C1C2CC3CC(C2)CC1C3 ZINC000075566031 508118262 /nfs/dbraw/zinc/11/82/62/508118262.db2.gz DVAHHGIJDWTQKA-UHFFFAOYSA-N -1 3 357.498 2.993 50 0 FFAAHM COc1cc(C)cc([C@H](C(=O)[O-])N2CCN(C3CCCC3)CC2)c1OC ZINC000095370400 508178494 /nfs/dbraw/zinc/17/84/94/508178494.db2.gz MAOFVDCNIJWNMA-GOSISDBHSA-N -1 3 362.470 2.698 50 0 FFAAHM C[C@@H](Cc1ccccc1)OC(=O)c1ccc([C@]2(C)NC(=O)[N-]C2=O)cc1 ZINC000095452842 508186237 /nfs/dbraw/zinc/18/62/37/508186237.db2.gz BMWGSBFHBFFCFD-RBZFPXEDSA-N -1 3 352.390 2.529 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2cccc(Cl)c2)o1 ZINC000095474552 508188566 /nfs/dbraw/zinc/18/85/66/508188566.db2.gz YZGLKWURAUVALB-ZDUSSCGKSA-N -1 3 352.770 2.840 50 0 FFAAHM Cc1c(C(=O)N(CC(=O)[O-])C2CCN(C)CC2)[nH]c2c1c(C)ccc2C ZINC000095508789 508192812 /nfs/dbraw/zinc/19/28/12/508192812.db2.gz PGPYNZJLLSPAGK-UHFFFAOYSA-N -1 3 357.454 2.714 50 0 FFAAHM COc1ccc2c(c1)[n-]cc(C(=O)N1CCO[C@H](c3ccccc3)C1)c2=O ZINC000076405511 508202290 /nfs/dbraw/zinc/20/22/90/508202290.db2.gz USNMYPNXRHFAGI-IBGZPJMESA-N -1 3 364.401 2.750 50 0 FFAAHM O=C(NCc1cccc(-c2nnn[n-]2)c1)c1csc(-c2cccs2)n1 ZINC000082137337 508226995 /nfs/dbraw/zinc/22/69/95/508226995.db2.gz LZHFLZFYYWIKEU-UHFFFAOYSA-N -1 3 368.447 2.982 50 0 FFAAHM O=C(NCc1cccc(-c2nn[n-]n2)c1)c1csc(-c2cccs2)n1 ZINC000082137337 508226997 /nfs/dbraw/zinc/22/69/97/508226997.db2.gz LZHFLZFYYWIKEU-UHFFFAOYSA-N -1 3 368.447 2.982 50 0 FFAAHM COc1ccc(CN(C)C[C@@H]2Cc3ccccc3CN2C)cc1C(=O)[O-] ZINC000216038614 509256423 /nfs/dbraw/zinc/25/64/23/509256423.db2.gz KPBSKCSLYQAUCI-SFHVURJKSA-N -1 3 354.450 2.882 50 0 FFAAHM COc1cc(Cl)cc(CN(C)C2CCN(C)CC2)c1O[C@H](C)C(=O)[O-] ZINC000216274803 509259331 /nfs/dbraw/zinc/25/93/31/509259331.db2.gz NMKLHEOLKVQEKO-GFCCVEGCSA-N -1 3 370.877 2.727 50 0 FFAAHM O=C(Cc1ccc([O-])c(Cl)c1)N[C@@H]1CCCN(Cc2cccnc2)C1 ZINC000219399642 509287972 /nfs/dbraw/zinc/28/79/72/509287972.db2.gz IYSRFPSMSNMFSA-MRXNPFEDSA-N -1 3 359.857 2.764 50 0 FFAAHM Cc1nc(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)cc(=O)[n-]1 ZINC000223496893 509339243 /nfs/dbraw/zinc/33/92/43/509339243.db2.gz KDMFDSVEVGPFPG-UHFFFAOYSA-N -1 3 365.437 2.706 50 0 FFAAHM Cn1nc(CC[N-]S(=O)(=O)c2ccc(Cl)s2)c2ccccc21 ZINC000186193396 509570217 /nfs/dbraw/zinc/57/02/17/509570217.db2.gz AZFHMNZBJIASLU-UHFFFAOYSA-N -1 3 355.872 2.809 50 0 FFAAHM COC(=O)[C@@]12CCC[C@@H]1CN(C(=O)c1c[n-]c3c(C)cccc3c1=O)C2 ZINC000166050925 509593496 /nfs/dbraw/zinc/59/34/96/509593496.db2.gz UAZSPGGPSREPHV-ZUOKHONESA-N -1 3 354.406 2.664 50 0 FFAAHM Cn1cc(C[C@H]2CCN(C(=O)c3ccc4c(c3[O-])OC(C)(C)C4)C2)cn1 ZINC000170649250 509698897 /nfs/dbraw/zinc/69/88/97/509698897.db2.gz QWRTUWQYUGIGSL-CYBMUJFWSA-N -1 3 355.438 2.544 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]Cc2ccc(C(=O)N(C)C)cc2)sc1Cl ZINC000252491902 509842643 /nfs/dbraw/zinc/84/26/43/509842643.db2.gz LYYOHNUWCMWZRV-UHFFFAOYSA-N -1 3 372.899 2.890 50 0 FFAAHM O=C(CN1CCC[C@@H](c2cc(=O)[n-]cn2)C1)Nc1ccc(Cl)cc1F ZINC000244831523 509873181 /nfs/dbraw/zinc/87/31/81/509873181.db2.gz UFKIYPKKWYUJRP-LLVKDONJSA-N -1 3 364.808 2.793 50 0 FFAAHM CCc1nc(NC(=O)N2CCN(C(=O)c3ccccc3[O-])CC2)sc1C ZINC000174339453 510066888 /nfs/dbraw/zinc/06/68/88/510066888.db2.gz KHCNCHLMUAHSNG-UHFFFAOYSA-N -1 3 374.466 2.709 50 0 FFAAHM COCCN(Cc1cccs1)Cc1cc(=O)[n-]c(-c2cccnc2)n1 ZINC000075551923 570617409 /nfs/dbraw/zinc/61/74/09/570617409.db2.gz NXJNVAKQMPKQFL-UHFFFAOYSA-N -1 3 356.451 2.542 50 0 FFAAHM O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1ccccc1F ZINC000047031333 570878586 /nfs/dbraw/zinc/87/85/86/570878586.db2.gz ZQFVTBHGGLETPF-HNNXBMFYSA-N -1 3 352.431 2.924 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(CC)cc1)CC(=O)N2 ZINC000046073930 570923711 /nfs/dbraw/zinc/92/37/11/570923711.db2.gz HADXFXKBHODXQH-GFCCVEGCSA-N -1 3 372.450 2.509 50 0 FFAAHM CN(C(=O)c1ccc2n[n-]nc2c1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000072145394 571172934 /nfs/dbraw/zinc/17/29/34/571172934.db2.gz LDMYJOLZCBHIRQ-INIZCTEOSA-N -1 3 367.428 2.834 50 0 FFAAHM O=C1NC2(CCCCC2)C(=O)N1N=Cc1cc(Br)ccc1[O-] ZINC000254397036 729626423 /nfs/dbraw/zinc/62/64/23/729626423.db2.gz NSFFQHYFLCNZSY-UHFFFAOYSA-N -1 3 366.215 2.743 50 0 FFAAHM Cc1cc(C)n(Cc2ccc(C(=O)N3NC(C)=C[C@]3([O-])C(F)(F)F)o2)n1 ZINC000000653412 210257812 /nfs/dbraw/zinc/25/78/12/210257812.db2.gz YMFREOZEWZRHIZ-HNNXBMFYSA-N -1 3 370.331 2.614 50 0 FFAAHM COC(=O)C[C@@H](c1ccc(O)c(OC)c1)c1oc2ccccc2c(=O)c1[O-] ZINC000253413111 210214827 /nfs/dbraw/zinc/21/48/27/210214827.db2.gz TUUFGXFEYRBKRK-ZDUSSCGKSA-N -1 3 370.357 2.908 50 0 biogenic FFAAHM CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)CC(c2ccccc2)c2ccccc2)C1 ZINC000299802029 210040694 /nfs/dbraw/zinc/04/06/94/210040694.db2.gz ZYHPFCKEXCNVMZ-QUCCMNQESA-N -1 3 366.461 2.824 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2cccc(F)c2)N1 ZINC000006263562 219722532 /nfs/dbraw/zinc/72/25/32/219722532.db2.gz KIQIIJJPEZPKAY-CYBMUJFWSA-N -1 3 350.337 2.918 50 0 FFAAHM Cc1ccccc1S(=O)(=O)[N-]c1cc2c(cc1Cl)n(C)c(=O)n2C ZINC000064591830 212040337 /nfs/dbraw/zinc/04/03/37/212040337.db2.gz PLNWTMYUCAPUTJ-UHFFFAOYSA-N -1 3 365.842 2.640 50 0 FFAAHM Cc1cc([N-]C(=O)[C@H](C)OC(=O)CCc2nnc(-c3ccccc3)o2)on1 ZINC000021913106 211330223 /nfs/dbraw/zinc/33/02/23/211330223.db2.gz DWEXEWWGCZBKPK-LBPRGKRZSA-N -1 3 370.365 2.536 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(Cc2ccccn2)CC1 ZINC000020678047 211293693 /nfs/dbraw/zinc/29/36/93/211293693.db2.gz WRWCKJGJAYXBEE-IBGZPJMESA-N -1 3 350.422 2.506 50 0 FFAAHM O=S(=O)([N-]CCn1cc(Cl)cn1)c1cc(Cl)ccc1Cl ZINC000014247903 211088299 /nfs/dbraw/zinc/08/82/99/211088299.db2.gz KHWBZNUGZHMDOP-UHFFFAOYSA-N -1 3 354.646 2.822 50 0 FFAAHM CCCC1=C[C@]([O-])(C(F)(F)F)N(C(=O)Cc2ccc(OC)c(OC)c2)N1 ZINC000001436971 210352719 /nfs/dbraw/zinc/35/27/19/210352719.db2.gz OQIYDBGLTUUGFK-INIZCTEOSA-N -1 3 374.359 2.886 50 0 FFAAHM COc1cc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C(C)C)cc(OC)c1OC ZINC000071281770 221338029 /nfs/dbraw/zinc/33/80/29/221338029.db2.gz LXTGSVWYBXPGGR-LLVKDONJSA-N -1 3 361.398 2.907 50 0 FFAAHM Cc1ccc(C(C)C)c(OC(C)(C)C(=O)N2CCc3c(nc[n-]c3=O)C2)c1 ZINC000071748051 221359627 /nfs/dbraw/zinc/35/96/27/221359627.db2.gz ZXWSIQBCQIOSQZ-UHFFFAOYSA-N -1 3 369.465 2.944 50 0 FFAAHM Cc1c([O-])ccc2c(CN3CCN(c4ccccn4)CC3)cc(=O)oc12 ZINC000007389655 132377652 /nfs/dbraw/zinc/37/76/52/132377652.db2.gz ASPSHXLDXYXMQN-UHFFFAOYSA-N -1 3 351.406 2.524 50 0 FFAAHM C[C@@H]1CN(c2ccc(NC(=O)c3ccc4n[n-]nc4c3)cc2)C[C@H](C)O1 ZINC000058216726 136131068 /nfs/dbraw/zinc/13/10/68/136131068.db2.gz GOPBCJRYLAZBED-BETUJISGSA-N -1 3 351.410 2.824 50 0 FFAAHM O=S(=O)([N-]CCn1ccc(-c2ccncc2)n1)c1ccc(Cl)s1 ZINC000096098816 222022167 /nfs/dbraw/zinc/02/21/67/222022167.db2.gz JEVCOTAXSJKUBW-UHFFFAOYSA-N -1 3 368.871 2.639 50 0 FFAAHM COc1cc(/C=C2/C(=O)[N-]C(=O)c3ccccc32)c(Br)cc1O ZINC000096298097 222113628 /nfs/dbraw/zinc/11/36/28/222113628.db2.gz ULTIEKLPKCFNEW-WUXMJOGZSA-N -1 3 374.190 2.974 50 0 FFAAHM CCOc1ccc([C@@H](C)NC(=O)c2ccccc2-c2nnn[n-]2)cc1F ZINC000097532484 222189587 /nfs/dbraw/zinc/18/95/87/222189587.db2.gz FUFGXHVFXKZJJS-LLVKDONJSA-N -1 3 355.373 2.896 50 0 FFAAHM CCOc1ccc([C@@H](C)NC(=O)c2ccccc2-c2nn[n-]n2)cc1F ZINC000097532484 222189591 /nfs/dbraw/zinc/18/95/91/222189591.db2.gz FUFGXHVFXKZJJS-LLVKDONJSA-N -1 3 355.373 2.896 50 0 FFAAHM CN1CCC(Cc2nc([C@@H]3Cc4ccccc4S3)n(CC(=O)[O-])n2)CC1 ZINC000097463708 222182005 /nfs/dbraw/zinc/18/20/05/222182005.db2.gz IBIGYJIUDQNZBG-INIZCTEOSA-N -1 3 372.494 2.637 50 0 FFAAHM O=C([N-]c1nc2n(n1)[C@@H](c1ccc(Cl)cc1)CC(=O)N2)c1ccco1 ZINC000097954823 222217863 /nfs/dbraw/zinc/21/78/63/222217863.db2.gz MWFKSJPMANAQPU-LLVKDONJSA-N -1 3 357.757 2.708 50 0 FFAAHM Cc1cc(C)n2nc(S(=O)(=O)[N-]c3c(Cl)cccc3Cl)nc2n1 ZINC000000680262 506228605 /nfs/dbraw/zinc/22/86/05/506228605.db2.gz RZWWGOCLMSGROE-UHFFFAOYSA-N -1 3 372.237 2.849 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)cc1 ZINC000005099509 506422972 /nfs/dbraw/zinc/42/29/72/506422972.db2.gz CTCOFBVDISJQNE-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(F)c(F)c2F)cc1NC(C)=O ZINC000005126720 506423967 /nfs/dbraw/zinc/42/39/67/506423967.db2.gz KQBUMOVKGKKVCU-UHFFFAOYSA-N -1 3 374.340 2.872 50 0 FFAAHM O=C1C[C@H]([N-]S(=O)(=O)c2ccccc2F)CN1c1ccc(Cl)cc1 ZINC000005222274 506429776 /nfs/dbraw/zinc/42/97/76/506429776.db2.gz MMQUKCWUOOHUTD-LBPRGKRZSA-N -1 3 368.817 2.563 50 0 FFAAHM O=C1C[C@@H]([N-]S(=O)(=O)c2ccccc2F)CN1c1ccc(Cl)cc1 ZINC000005222273 506430974 /nfs/dbraw/zinc/43/09/74/506430974.db2.gz MMQUKCWUOOHUTD-GFCCVEGCSA-N -1 3 368.817 2.563 50 0 FFAAHM O=C(Nc1ccncc1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000005448555 506442314 /nfs/dbraw/zinc/44/23/14/506442314.db2.gz NOSAQCDYYJWYBQ-UHFFFAOYSA-N -1 3 365.389 2.721 50 0 FFAAHM CS(=O)(=O)[N-]c1cc(NC(=O)CCC(=O)c2cccs2)ccc1F ZINC000040050926 506460420 /nfs/dbraw/zinc/46/04/20/506460420.db2.gz TVUBZDACEPJRFE-UHFFFAOYSA-N -1 3 370.427 2.860 50 0 FFAAHM C[C@H]1CCCN(CC[N-]S(=O)(=O)c2ccc(Br)s2)C1 ZINC000040105667 506468484 /nfs/dbraw/zinc/46/84/84/506468484.db2.gz QDVACDWYLPYEFU-JTQLQIEISA-N -1 3 367.334 2.521 50 0 FFAAHM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1nc2ccccc2[nH]1 ZINC000054635103 506592895 /nfs/dbraw/zinc/59/28/95/506592895.db2.gz JMTVLVPQHLDTSU-BBATYDOGSA-N -1 3 367.453 2.709 50 0 FFAAHM COCCn1c(C)cc(C(=O)CSc2n[n-]c([C@H]3CCCO3)n2)c1C ZINC000008936889 506674383 /nfs/dbraw/zinc/67/43/83/506674383.db2.gz LILHNYWPBNIBPD-OAHLLOKOSA-N -1 3 364.471 2.696 50 0 FFAAHM C[C@@H](NC(=O)CSc1n[n-]c([C@@H]2CCCO2)n1)c1ccc(F)cc1 ZINC000008993800 506677062 /nfs/dbraw/zinc/67/70/62/506677062.db2.gz SBDDMYBFKFMJRU-MFKMUULPSA-N -1 3 350.419 2.765 50 0 FFAAHM O=C([O-])c1ccc(-n2cc(CNC[C@H]3COCCO3)c3ccccc32)s1 ZINC000009741034 506710801 /nfs/dbraw/zinc/71/08/01/506710801.db2.gz HWOLGNZFQBNMPP-AWEZNQCLSA-N -1 3 372.446 2.895 50 0 FFAAHM O=S(=O)([N-]Cc1ccccc1Cn1cccn1)c1ccc(F)cc1F ZINC000010958981 506760113 /nfs/dbraw/zinc/76/01/13/506760113.db2.gz UMNZBKAIFXGBTP-UHFFFAOYSA-N -1 3 363.389 2.688 50 0 FFAAHM CC(=O)[C@@H]1[C@H](c2ccc(C(F)(F)F)cc2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000012377541 506856166 /nfs/dbraw/zinc/85/61/66/506856166.db2.gz XTKAMUGCTADIQP-SCVCMEIPSA-N -1 3 370.249 2.515 50 0 FFAAHM Cc1oc(-c2ccccc2)nc1CSc1nc2c(nc[n-]c2=O)n1C ZINC000012372656 506856220 /nfs/dbraw/zinc/85/62/20/506856220.db2.gz XQBJXYUIRHAXBZ-UHFFFAOYSA-N -1 3 353.407 2.912 50 0 biogenic,in-vitro FFAAHM Cc1c(=O)[n-]c(-c2cccc(CN(C)CCCO)c2)nc1C(F)(F)F ZINC000048066934 507445644 /nfs/dbraw/zinc/44/56/44/507445644.db2.gz MVDPKCFMBFHHCX-UHFFFAOYSA-N -1 3 355.360 2.991 50 0 FFAAHM COc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)c([O-])c1 ZINC000025326731 507489910 /nfs/dbraw/zinc/48/99/10/507489910.db2.gz FQSKCVXNQWZIGM-UHFFFAOYSA-N -1 3 354.406 2.567 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CC(=O)N[C@@H]3CCOC(C)(C)C3)c(=O)oc12 ZINC000070666514 507614332 /nfs/dbraw/zinc/61/43/32/507614332.db2.gz QFIAIEPMZVABLP-CYBMUJFWSA-N -1 3 359.422 2.732 50 0 biogenic FFAAHM O=C([O-])c1ccc(C[C@@H]2CCN(Cc3cnc(N4CCCC4)nc3)C2)cc1 ZINC000072412290 507786308 /nfs/dbraw/zinc/78/63/08/507786308.db2.gz JFGKESCSAQSYQS-KRWDZBQOSA-N -1 3 366.465 2.840 50 0 FFAAHM Cc1nc(CNc2cc(-c3ccccc3F)nc3ccnn32)cc(=O)[n-]1 ZINC000072481656 507798118 /nfs/dbraw/zinc/79/81/18/507798118.db2.gz CQFGOEJWYZMTCC-UHFFFAOYSA-N -1 3 350.357 2.539 50 0 FFAAHM Cc1ncc(C(=O)N(C[C@@H](O)c2ccccc2)C2CCCCC2)c(=O)[n-]1 ZINC000091390755 507982952 /nfs/dbraw/zinc/98/29/52/507982952.db2.gz ZHEKJPPIHXBUCU-GOSISDBHSA-N -1 3 355.438 2.587 50 0 FFAAHM Cc1nc(C2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2)cc(=O)[n-]1 ZINC000091935246 508025440 /nfs/dbraw/zinc/02/54/40/508025440.db2.gz QRDJYZYAUZHFOQ-GOSISDBHSA-N -1 3 351.450 2.589 50 0 FFAAHM C[C@@H]([N-]S(=O)(=O)c1ccc(OC(F)F)c(Cl)c1)c1ccon1 ZINC000095461646 508186860 /nfs/dbraw/zinc/18/68/60/508186860.db2.gz VJYWWIUWXNMEGN-SSDOTTSWSA-N -1 3 352.746 2.969 50 0 FFAAHM Cc1ccccc1CC(=O)N[C@@]1(C(=O)[O-])CCCN(Cc2ccccc2)C1 ZINC000095464051 508187088 /nfs/dbraw/zinc/18/70/88/508187088.db2.gz OFACOMQOQRUHGU-QFIPXVFZSA-N -1 3 366.461 2.773 50 0 FFAAHM Cc1cccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c1[O-] ZINC000077519278 508327198 /nfs/dbraw/zinc/32/71/98/508327198.db2.gz ZXKODUWSZLZYPO-OAQYLSRUSA-N -1 3 356.466 2.955 50 0 FFAAHM C[C@@H]1C=CC[C@H]2C(=O)N([N-]C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@H]21 ZINC000136859640 508721396 /nfs/dbraw/zinc/72/13/96/508721396.db2.gz MDEGNVHESXQNCJ-JQEORGNBSA-N -1 3 353.205 2.835 50 0 FFAAHM Cc1ccccc1[C@H](NC(=O)Cc1c(C)nc(C)[n-]c1=O)c1ccncc1 ZINC000215888102 509252618 /nfs/dbraw/zinc/25/26/18/509252618.db2.gz BQVULIKTXLQTJX-HXUWFJFHSA-N -1 3 362.433 2.538 50 0 FFAAHM O=C(Cc1noc(-c2n[n-]nc2-c2ccccc2)n1)NC1CCCCC1 ZINC000225506835 509374263 /nfs/dbraw/zinc/37/42/63/509374263.db2.gz WTFOQCWYWWYKOG-UHFFFAOYSA-N -1 3 352.398 2.513 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]C[C@@H]2CCCO2)c(Cl)cc1Br ZINC000230513812 509437841 /nfs/dbraw/zinc/43/78/41/509437841.db2.gz SYNIUTDWLWSRSY-VIFPVBQESA-N -1 3 368.680 2.868 50 0 FFAAHM COC(=O)C[C@@](C)(NC(=O)c1cccc(OC)c1[O-])c1cccc(OC)c1 ZINC000170602486 509677911 /nfs/dbraw/zinc/67/79/11/509677911.db2.gz DZPUDXYAYAPMBU-HXUWFJFHSA-N -1 3 373.405 2.618 50 0 FFAAHM O=C([O-])c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCCO3)cc1 ZINC000170612871 509681208 /nfs/dbraw/zinc/68/12/08/509681208.db2.gz SPSFLPCKOGUNSO-UHFFFAOYSA-N -1 3 365.389 2.836 50 0 FFAAHM Cc1cnc(C2CCC2)n1CC[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000253414397 509879137 /nfs/dbraw/zinc/87/91/37/509879137.db2.gz XJRNKRJQOTXWLE-UHFFFAOYSA-N -1 3 355.410 2.716 50 0 FFAAHM O=C(N[C@@H](c1ccccn1)[C@H]1C[C@H](O)C1)c1c[n-]c2c(F)cccc2c1=O ZINC000253534858 509886061 /nfs/dbraw/zinc/88/60/61/509886061.db2.gz LSLGEABPSZZGLG-PSTGCABASA-N -1 3 367.380 2.717 50 0 FFAAHM COc1ccc(C)cc1CS(=O)(=O)Cc1n[n-]c(-c2cccs2)n1 ZINC000195055319 510648466 /nfs/dbraw/zinc/64/84/66/510648466.db2.gz ZMZDTTVUFMTPQN-UHFFFAOYSA-N -1 3 363.464 2.965 50 0 FFAAHM COc1ccc(C)cc1CS(=O)(=O)Cc1nnc(-c2cccs2)[n-]1 ZINC000195055319 510648472 /nfs/dbraw/zinc/64/84/72/510648472.db2.gz ZMZDTTVUFMTPQN-UHFFFAOYSA-N -1 3 363.464 2.965 50 0 FFAAHM COc1ccc(C)cc1CS(=O)(=O)Cc1nc(-c2cccs2)n[n-]1 ZINC000195055319 510648478 /nfs/dbraw/zinc/64/84/78/510648478.db2.gz ZMZDTTVUFMTPQN-UHFFFAOYSA-N -1 3 363.464 2.965 50 0 FFAAHM CC(C)[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Cc1cnc[n-]c1=O ZINC000299785384 519807529 /nfs/dbraw/zinc/80/75/29/519807529.db2.gz YMCRIIIMKLLWKT-LJQANCHMSA-N -1 3 350.422 2.988 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccc(C)c(C)c1)CC(=O)N2 ZINC000046075575 570923931 /nfs/dbraw/zinc/92/39/31/570923931.db2.gz PXDQJWAXUPLVQK-GFCCVEGCSA-N -1 3 372.450 2.563 50 0 FFAAHM Cc1ccc(COc2ccccc2CN2CC[C@H](O)[C@@H](C(=O)[O-])C2)cc1 ZINC001529114549 1062169030 /nfs/dbraw/zinc/16/90/30/1062169030.db2.gz PFBOZOJRALMULI-OALUTQOASA-N -1 3 355.434 2.841 50 0 FFAAHM Cc1ccccc1N1CC[C@H](CNC(=O)Nc2cccc3n[n-]nc32)C1 ZINC000299783765 210027583 /nfs/dbraw/zinc/02/75/83/210027583.db2.gz WVMXHBRZNTZPHR-CQSZACIVSA-N -1 3 350.426 2.914 50 0 FFAAHM CCc1oc(C(=O)N2Cc3nc(C)[n-]c(=O)c3C2)cc1CN(CC)CC ZINC000299771456 210019455 /nfs/dbraw/zinc/01/94/55/210019455.db2.gz XNEPWASLQQMAGL-UHFFFAOYSA-N -1 3 358.442 2.644 50 0 FFAAHM Cc1ccccc1SCC(=O)N1CCC[C@H](c2cc(=O)[n-]c(C)n2)C1 ZINC000023542779 211391091 /nfs/dbraw/zinc/39/10/91/211391091.db2.gz PEHHZTMFDXMWGZ-HNNXBMFYSA-N -1 3 357.479 2.885 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)C[C@H]3CCc4ccccc43)C2)cc(=O)[n-]1 ZINC000023430459 211388884 /nfs/dbraw/zinc/38/88/84/211388884.db2.gz SXQRAAGYYHHQBO-SJORKVTESA-N -1 3 351.450 2.904 50 0 FFAAHM COC(=O)C1CCN([C@H](C(=O)[O-])c2c[nH]c3ccc(Cl)cc32)CC1 ZINC000020719582 211293729 /nfs/dbraw/zinc/29/37/29/211293729.db2.gz AXFNAGCJSMNQBJ-HNNXBMFYSA-N -1 3 350.802 2.832 50 0 FFAAHM O=c1[n-]c(=S)n(-c2ccccc2)c(O)c1[C@@H]1NCCc2ccccc21 ZINC000020132033 211269022 /nfs/dbraw/zinc/26/90/22/211269022.db2.gz WXWLERQAQZQEPM-MRXNPFEDSA-N -1 3 351.431 2.836 50 0 FFAAHM C[C@@H]1C=CC[C@@H]2C(=O)N([N-]C(=O)c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]21 ZINC000018244604 211196462 /nfs/dbraw/zinc/19/64/62/211196462.db2.gz MDEGNVHESXQNCJ-DFAYQTQMSA-N -1 3 353.205 2.835 50 0 FFAAHM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 ZINC000017076677 211179196 /nfs/dbraw/zinc/17/91/96/211179196.db2.gz WMJCNKBIEZGBFB-IZBXYKSJSA-N -1 3 374.525 2.990 50 0 FFAAHM Cc1ccc(NC(=O)CCNS(=O)(=O)/C=C/c2ccccc2)c([O-])c1 ZINC000012904365 211005937 /nfs/dbraw/zinc/00/59/37/211005937.db2.gz OXKRCAFMTVZAJH-ZRDIBKRKSA-N -1 3 360.435 2.620 50 0 FFAAHM Cc1ccc(S(=O)(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000012362910 210946156 /nfs/dbraw/zinc/94/61/56/210946156.db2.gz FZNXBYJDVXYNJA-GXTWGEPZSA-N -1 3 362.373 2.796 50 0 FFAAHM COCCCN1C(=O)c2ccc(C(=O)Nc3ccc(C)cc3[O-])cc2C1=O ZINC000008241652 210776836 /nfs/dbraw/zinc/77/68/36/210776836.db2.gz PWQAEZDYAXDAOR-UHFFFAOYSA-N -1 3 368.389 2.585 50 0 FFAAHM COC(=O)[C@]([O-])(CC(=O)Nc1cccc(C(F)(F)F)c1)C(F)(F)F ZINC000002063961 210378056 /nfs/dbraw/zinc/37/80/56/210378056.db2.gz DFHPCQKBAVUGDF-LLVKDONJSA-N -1 3 359.222 2.500 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCCN(Cc3cccs3)CC2)c1 ZINC000055248424 221063066 /nfs/dbraw/zinc/06/30/66/221063066.db2.gz AEHATWGOKQLGAZ-UHFFFAOYSA-N -1 3 373.478 2.760 50 0 FFAAHM CCc1nnc([N-]C(=O)c2nc(C(C)C)nn2-c2ccncc2C)s1 ZINC000065370521 221204049 /nfs/dbraw/zinc/20/40/49/221204049.db2.gz CAFJXXGKZSMZOQ-UHFFFAOYSA-N -1 3 357.443 2.760 50 0 FFAAHM Cc1ccsc1CNc1ccc(C(=O)NCc2cc(=O)[n-]cn2)cc1 ZINC000065398458 221212264 /nfs/dbraw/zinc/21/22/64/221212264.db2.gz SVAKWEIKNGSSCO-UHFFFAOYSA-N -1 3 354.435 2.682 50 0 FFAAHM CCc1nc(-c2c(-c3ccccc3)ncn2CCCc2nnn[n-]2)c(C)[nH]1 ZINC000067675320 221269769 /nfs/dbraw/zinc/26/97/69/221269769.db2.gz ZXSPSROZAODIES-UHFFFAOYSA-N -1 3 362.441 2.957 50 0 FFAAHM CCc1nc(-c2c(-c3ccccc3)ncn2CCCc2nn[n-]n2)c(C)[nH]1 ZINC000067675320 221269772 /nfs/dbraw/zinc/26/97/72/221269772.db2.gz ZXSPSROZAODIES-UHFFFAOYSA-N -1 3 362.441 2.957 50 0 FFAAHM Cc1ccc(-c2ccnc(NCc3c([O-])c(C)ncc3CO)n2)c(C)n1 ZINC000071422284 221347640 /nfs/dbraw/zinc/34/76/40/221347640.db2.gz FSIPYDHBYXXZIP-UHFFFAOYSA-N -1 3 351.410 2.669 50 0 FFAAHM C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000331568337 258191294 /nfs/dbraw/zinc/19/12/94/258191294.db2.gz PQHQRYNTCZNGLV-KBXCAEBGSA-N -1 3 374.462 2.660 50 0 FFAAHM Cc1cc2nc(SCC(=O)N3CCOc4ccc(C)cc43)[n-]c(=O)c2[nH]1 ZINC000057521036 136129533 /nfs/dbraw/zinc/12/95/33/136129533.db2.gz CZLNLNQWNAGBBH-UHFFFAOYSA-N -1 3 370.434 2.798 50 0 FFAAHM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(Cc2cccnc2)CC1 ZINC000072454061 221536586 /nfs/dbraw/zinc/53/65/86/221536586.db2.gz ZUVMGBGFHWCAIG-UHFFFAOYSA-N -1 3 352.394 2.614 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@@H](CC(=O)OC)c2ccc(F)c(F)c2F)o1 ZINC000096117433 222033170 /nfs/dbraw/zinc/03/31/70/222033170.db2.gz BZLGNFYEKDJHQG-JTQLQIEISA-N -1 3 372.295 2.604 50 0 FFAAHM CCN1CCCn2cc(S(=O)(=O)[N-]c3cc(C)ccc3F)cc2C1=O ZINC000065258808 506277455 /nfs/dbraw/zinc/27/74/55/506277455.db2.gz IQKDAUFUQFRDQJ-UHFFFAOYSA-N -1 3 365.430 2.602 50 0 FFAAHM COC(=O)[C@]([O-])(CC(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000002766914 506291468 /nfs/dbraw/zinc/29/14/68/506291468.db2.gz PZHAHZUTPOBPBA-LLVKDONJSA-N -1 3 359.222 2.500 50 0 FFAAHM CC[C@@H](C)NC(=O)C[C@H]([N-]S(=O)(=O)c1ccc(C)cc1)c1ccco1 ZINC000002938624 506303124 /nfs/dbraw/zinc/30/31/24/506303124.db2.gz IKIQSSCEJNLYKB-ZBFHGGJFSA-N -1 3 364.467 2.912 50 0 FFAAHM O=C([N-]OCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000032850735 506303358 /nfs/dbraw/zinc/30/33/58/506303358.db2.gz ZIIHEVBJJYQPJN-QGZVFWFLSA-N -1 3 356.397 2.926 50 0 FFAAHM O=C(CSc1n[n-]c([C@H]2CCCO2)n1)NC12CC3CC(CC(C3)C1)C2 ZINC000032873956 506304793 /nfs/dbraw/zinc/30/47/93/506304793.db2.gz SCGUBTKIGARGOA-UDMGLPGGSA-N -1 3 362.499 2.833 50 0 FFAAHM CCOC(=O)C(=C([O-])c1cccnc1)[C@@H](C(=O)OCC)c1ccccc1 ZINC000003130198 506311818 /nfs/dbraw/zinc/31/18/18/506311818.db2.gz HOUUXJLVTPCYJH-IRXDYDNUSA-N -1 3 355.390 2.791 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)c1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 ZINC000004118521 506360144 /nfs/dbraw/zinc/36/01/44/506360144.db2.gz ADJIYMBLMNVOCR-CQSZACIVSA-N -1 3 361.781 2.885 50 0 FFAAHM CCCC[C@H](O)CN1CCc2nc(Cc3ccccc3C)[n-]c(=O)c2C1 ZINC000004155577 506361902 /nfs/dbraw/zinc/36/19/02/506361902.db2.gz DNDLRUMQHLXPLZ-KRWDZBQOSA-N -1 3 355.482 2.578 50 0 FFAAHM CCOC(=O)N[C@]([N-]c1cccc(F)c1)(C(=O)OCC)C(F)(F)F ZINC000004301151 506369321 /nfs/dbraw/zinc/36/93/21/506369321.db2.gz ZZQYLXCYWKFLCJ-CYBMUJFWSA-N -1 3 352.284 2.805 50 0 FFAAHM CSc1ncc(C(=O)[O-])c(NC2CCN(Cc3ccccc3)CC2)n1 ZINC000035287538 506378350 /nfs/dbraw/zinc/37/83/50/506378350.db2.gz LSJSMDZFIJDXRB-UHFFFAOYSA-N -1 3 358.467 2.973 50 0 FFAAHM CCOC(=O)c1ccc(NC(=O)c2c(O)nc3ccccc3c2[O-])cc1 ZINC000005817617 506458165 /nfs/dbraw/zinc/45/81/65/506458165.db2.gz ZAXWKDAHDKJDEK-UHFFFAOYSA-N -1 3 352.346 2.663 50 0 FFAAHM O=C(NCCc1c[nH]c2ccc(Cl)cc12)C(=O)Nc1ccccc1[O-] ZINC000040313298 506480864 /nfs/dbraw/zinc/48/08/64/506480864.db2.gz CMPAUYQKBWFMQP-UHFFFAOYSA-N -1 3 357.797 2.824 50 0 biogenic FFAAHM O=C(NCCc1c[nH]c2ccccc12)C(=O)Nc1cc(Cl)ccc1[O-] ZINC000040309717 506481536 /nfs/dbraw/zinc/48/15/36/506481536.db2.gz CLQZEPXMTHFNTB-UHFFFAOYSA-N -1 3 357.797 2.824 50 0 biogenic FFAAHM CCOC(=O)[C@H](CC)Sc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000006530669 506487758 /nfs/dbraw/zinc/48/77/58/506487758.db2.gz QLHVJJGDPNYBAW-ZDUSSCGKSA-N -1 3 358.423 2.543 50 0 FFAAHM Cc1c([O-])ccc2c(COC(=O)[C@@H]3COc4ccccc4O3)cc(=O)oc12 ZINC000008281780 506638728 /nfs/dbraw/zinc/63/87/28/506638728.db2.gz APAXKDRMHCPEIV-KRWDZBQOSA-N -1 3 368.341 2.690 50 0 FFAAHM O=C(OCc1nc2c3ccccc3oc2c(=O)[n-]1)c1n[nH]c2ccccc21 ZINC000008725477 506664265 /nfs/dbraw/zinc/66/42/65/506664265.db2.gz XCUJXKCRHDRHFH-UHFFFAOYSA-N -1 3 360.329 2.903 50 0 FFAAHM CCNC(=O)NC(=O)CSc1nnc([N-]c2ccccc2Cl)s1 ZINC000009154652 506683216 /nfs/dbraw/zinc/68/32/16/506683216.db2.gz RSFWQAGILZQQEO-UHFFFAOYSA-N -1 3 371.875 2.873 50 0 FFAAHM Cc1ccc(Cl)cc1NC(=O)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009192418 506685490 /nfs/dbraw/zinc/68/54/90/506685490.db2.gz LFXHVGOYLAMJJH-OAHLLOKOSA-N -1 3 356.813 2.944 50 0 FFAAHM Cc1ccccc1CNC(=O)[C@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000009528477 506701797 /nfs/dbraw/zinc/70/17/97/506701797.db2.gz XAGISIFVUWEVBU-MRXNPFEDSA-N -1 3 366.508 2.676 50 0 FFAAHM O=C(COc1cccc(F)c1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293446 506735911 /nfs/dbraw/zinc/73/59/11/506735911.db2.gz QOXMTCNPPITXRF-UHFFFAOYSA-N -1 3 372.396 2.787 50 0 FFAAHM C[C@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(F)c(F)c1 ZINC000011603740 506782586 /nfs/dbraw/zinc/78/25/86/506782586.db2.gz FWEPVGDQWDKEPD-JTQLQIEISA-N -1 3 354.378 2.827 50 0 FFAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccco1 ZINC000011613804 506783022 /nfs/dbraw/zinc/78/30/22/506783022.db2.gz LBGBDDHICUDBPC-UHFFFAOYSA-N -1 3 360.229 2.919 50 0 FFAAHM C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc4n[n-]nc4c3)n2)C1 ZINC000012532085 506871871 /nfs/dbraw/zinc/87/18/71/506871871.db2.gz GCECVHOASICNIS-LLVKDONJSA-N -1 3 356.455 2.899 50 0 FFAAHM CCc1nc2sc([C@@H](c3cccc(C)c3)N3CCC(O)CC3)c([O-])n2n1 ZINC000022855193 507315891 /nfs/dbraw/zinc/31/58/91/507315891.db2.gz XENZXUJNDPCAJE-MRXNPFEDSA-N -1 3 372.494 2.913 50 0 FFAAHM CCN1CCN(c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000022893744 507317982 /nfs/dbraw/zinc/31/79/82/507317982.db2.gz ZDDJTHXUTRBYRX-UHFFFAOYSA-N -1 3 363.458 2.768 50 0 FFAAHM COc1ccc([C@@H](C[N-]S(=O)(=O)c2cccs2)N2CCCC2)cc1 ZINC000023994188 507383143 /nfs/dbraw/zinc/38/31/43/507383143.db2.gz BKVMJIODCBMHSN-MRXNPFEDSA-N -1 3 366.508 2.872 50 0 FFAAHM COC(=O)CCCCCC[N-]S(=O)(=O)c1ccc(Cl)cc1F ZINC000024476151 507414428 /nfs/dbraw/zinc/41/44/28/507414428.db2.gz BMBNLTSZDBIVFM-UHFFFAOYSA-N -1 3 351.827 2.881 50 0 FFAAHM Cc1cccc(NC(=O)CS(=O)(=O)[N-]c2ccc(OC(C)C)cc2)n1 ZINC000048314102 507499787 /nfs/dbraw/zinc/49/97/87/507499787.db2.gz HMXFRBWFYAJGJG-UHFFFAOYSA-N -1 3 363.439 2.558 50 0 FFAAHM Cc1nc(CCNc2cc(-c3ccccc3F)nc3ccnn32)cc(=O)[n-]1 ZINC000072418917 507786202 /nfs/dbraw/zinc/78/62/02/507786202.db2.gz BYDZUAWTFJYBAX-UHFFFAOYSA-N -1 3 364.384 2.582 50 0 FFAAHM O=C(c1ccc([O-])cc1)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000030661630 507811983 /nfs/dbraw/zinc/81/19/83/507811983.db2.gz ZLIJNQJMXKTJRI-UHFFFAOYSA-N -1 3 368.477 2.893 50 0 FFAAHM Cc1nc(C)c(CCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c(=O)[n-]1 ZINC000073138314 507897725 /nfs/dbraw/zinc/89/77/25/507897725.db2.gz WTAGDBJUPAJARU-UHFFFAOYSA-N -1 3 355.225 2.847 50 0 FFAAHM Cc1ncc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCCCC2)c(=O)[n-]1 ZINC000091643615 507999821 /nfs/dbraw/zinc/99/98/21/507999821.db2.gz VTGPXNJDXKHGDN-QGZVFWFLSA-N -1 3 374.872 2.689 50 0 FFAAHM COc1ccc(Cl)cc1S(=O)(=O)[N-]CCc1c[nH]c2ncccc12 ZINC000075495512 508110623 /nfs/dbraw/zinc/11/06/23/508110623.db2.gz RMIUQCPALLRNCU-UHFFFAOYSA-N -1 3 365.842 2.746 50 0 FFAAHM CCOc1ccccc1[C@@H](C(=O)[O-])N1CCC(C(=O)N2CCCCC2)CC1 ZINC000095357662 508175524 /nfs/dbraw/zinc/17/55/24/508175524.db2.gz CIDUPYXEHONYQI-IBGZPJMESA-N -1 3 374.481 2.936 50 0 FFAAHM COc1cc(F)ccc1[C@H](C(=O)[O-])N1CCCN(Cc2ccncc2)CC1 ZINC000095386387 508182792 /nfs/dbraw/zinc/18/27/92/508182792.db2.gz PZBGORZHZJNNNQ-LJQANCHMSA-N -1 3 373.428 2.563 50 0 FFAAHM COc1ccccc1[C@H](C(=O)[O-])N1CCC(OCc2cccnc2)CC1 ZINC000095389130 508183655 /nfs/dbraw/zinc/18/36/55/508183655.db2.gz JUBIBUWQKNGXTO-LJQANCHMSA-N -1 3 356.422 2.897 50 0 FFAAHM Cc1cc(C)n(-c2cccc(C(=O)Nc3n[n-]c([C@H]4CCCO4)n3)c2)n1 ZINC000095473819 508188182 /nfs/dbraw/zinc/18/81/82/508188182.db2.gz HQWQPBIZKPDKOS-OAHLLOKOSA-N -1 3 352.398 2.711 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCC(c2nccn2CC2CCC2)CC1 ZINC000095517484 508193882 /nfs/dbraw/zinc/19/38/82/508193882.db2.gz NGXYMNKDSUBINM-UHFFFAOYSA-N -1 3 364.453 2.974 50 0 FFAAHM O=C([N-]c1cc(C(F)(F)F)no1)c1nc(N2CCCC2)ncc1Cl ZINC000095963332 508200057 /nfs/dbraw/zinc/20/00/57/508200057.db2.gz CKKDRURSLTYUOO-UHFFFAOYSA-N -1 3 361.711 2.989 50 0 FFAAHM Cc1cnn(C2(C(=O)[O-])CCN(Cc3cc(-c4ccccc4)no3)CC2)c1 ZINC000077287612 508296160 /nfs/dbraw/zinc/29/61/60/508296160.db2.gz MESALAUKEQQRPA-UHFFFAOYSA-N -1 3 366.421 2.922 50 0 FFAAHM O=S(=O)([N-]C[C@]1(O)CCc2ccccc2C1)c1ccc(Cl)s1 ZINC000085560333 508312577 /nfs/dbraw/zinc/31/25/77/508312577.db2.gz SRZLZELKWRTCKS-HNNXBMFYSA-N -1 3 357.884 2.600 50 0 FFAAHM CN1CCN(C(=O)c2cnc(-c3cc(Cl)cc(Cl)c3)[n-]c2=O)CC1 ZINC000077471523 508320474 /nfs/dbraw/zinc/32/04/74/508320474.db2.gz IKAALSJTVYHSLK-UHFFFAOYSA-N -1 3 367.236 2.544 50 0 FFAAHM CC1(C)C[C@]1(C(=O)N1CCC(c2cc(=O)[n-]cn2)CC1)c1ccccc1F ZINC000215062605 509245455 /nfs/dbraw/zinc/24/54/55/509245455.db2.gz WWAWSPVTXCBTPY-OAQYLSRUSA-N -1 3 369.440 2.983 50 0 FFAAHM COc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2cccc(F)c2)ccc1[O-] ZINC000219361286 509287336 /nfs/dbraw/zinc/28/73/36/509287336.db2.gz POZCGGDNWNSVIN-CRAIPNDOSA-N -1 3 361.369 2.506 50 0 FFAAHM C[C@@H](OC(=O)c1cccc2nn[n-]c21)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000170610707 509679959 /nfs/dbraw/zinc/67/99/59/509679959.db2.gz DQGGKZHQHZEOFR-GHMZBOCLSA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@@H](OC(=O)c1cccc2[n-]nnc21)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000170610707 509679966 /nfs/dbraw/zinc/67/99/66/509679966.db2.gz DQGGKZHQHZEOFR-GHMZBOCLSA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@@H](OC(=O)c1cccc2n[n-]nc21)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000170610707 509679973 /nfs/dbraw/zinc/67/99/73/509679973.db2.gz DQGGKZHQHZEOFR-GHMZBOCLSA-N -1 3 356.357 2.520 50 0 FFAAHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)CSc1nc2ccccc2n1C ZINC000252507099 509845736 /nfs/dbraw/zinc/84/57/36/509845736.db2.gz YAAZCCKCVBUXAH-GFCCVEGCSA-N -1 3 355.467 2.894 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]C[C@H]2CCN(c3ccccc3)C2)c(F)c1 ZINC000252500288 509846185 /nfs/dbraw/zinc/84/61/85/509846185.db2.gz SRICLJOHLSAOOY-CQSZACIVSA-N -1 3 364.442 2.639 50 0 FFAAHM CCc1nc(S(=O)(=O)[N-]Cc2csc(-c3cccc(C)c3)n2)c[nH]1 ZINC000534584475 517952644 /nfs/dbraw/zinc/95/26/44/517952644.db2.gz JSRBRHHVEPWUAL-UHFFFAOYSA-N -1 3 362.480 2.883 50 0 FFAAHM C[C@H](C1CC1)n1[n-]ccc1=NC(=O)[C@H]1CCCN1C(=O)c1cccs1 ZINC000606369600 521042411 /nfs/dbraw/zinc/04/24/11/521042411.db2.gz NFTJDGXKLNUOMW-TZMCWYRMSA-N -1 3 358.467 2.581 50 0 FFAAHM COc1ccc(C(=O)[C@H](C)OC(=O)c2cc(OC)c([O-])c(OC)c2)cc1 ZINC000019909542 523778659 /nfs/dbraw/zinc/77/86/59/523778659.db2.gz GRDXZXKOJGYRPW-NSHDSACASA-N -1 3 360.362 2.846 50 0 FFAAHM Cc1nc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc(=O)[n-]1 ZINC000082092753 526776383 /nfs/dbraw/zinc/77/63/83/526776383.db2.gz WMOOOHORQAISFQ-UHFFFAOYSA-N -1 3 364.449 2.898 50 0 FFAAHM COc1ccc2c(c1)[n-]cc(C(=O)N[C@@H]1CCOc3ccccc31)c2=O ZINC000046901324 570876144 /nfs/dbraw/zinc/87/61/44/570876144.db2.gz QOEBFLRBNQFNHI-MRXNPFEDSA-N -1 3 350.374 2.790 50 0 FFAAHM O=C(Nc1cc(N2CCCS2(=O)=O)ccc1[O-])c1ccccc1Cl ZINC000047277582 570884854 /nfs/dbraw/zinc/88/48/54/570884854.db2.gz OIUUYYJLSHJNKX-UHFFFAOYSA-N -1 3 366.826 2.838 50 0 FFAAHM O=C(c1csc(S(=O)(=O)[N-]C2CCCCCC2)c1)N1CCCC1 ZINC000045961547 570916938 /nfs/dbraw/zinc/91/69/38/570916938.db2.gz PCLBAALPURIOGP-UHFFFAOYSA-N -1 3 356.513 2.985 50 0 FFAAHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@H]1COc3ccccc3C1)c2=O ZINC000083970193 571063471 /nfs/dbraw/zinc/06/34/71/571063471.db2.gz BRYQJFOHEQNISC-ZDUSSCGKSA-N -1 3 364.401 2.518 50 0 FFAAHM COc1ccc(NC(=O)[C@H](CC(C)C)n2cccc2)cc1-c1nnn[n-]1 ZINC000575444500 571152938 /nfs/dbraw/zinc/15/29/38/571152938.db2.gz LJKPPEQNIOOBTI-HNNXBMFYSA-N -1 3 354.414 2.903 50 0 FFAAHM COc1ccc(NC(=O)[C@H](CC(C)C)n2cccc2)cc1-c1nn[n-]n1 ZINC000575444500 571152939 /nfs/dbraw/zinc/15/29/39/571152939.db2.gz LJKPPEQNIOOBTI-HNNXBMFYSA-N -1 3 354.414 2.903 50 0 FFAAHM Cc1nc([C@@H]2CCCN(Cc3cnc(-c4ccco4)nc3)C2)cc(=O)[n-]1 ZINC000072146078 571173322 /nfs/dbraw/zinc/17/33/22/571173322.db2.gz KYIDRQDAGXULIE-OAHLLOKOSA-N -1 3 351.410 2.508 50 0 FFAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000008661370 571258776 /nfs/dbraw/zinc/25/87/76/571258776.db2.gz ZDCAOAIGHVZUIH-OAHLLOKOSA-N -1 3 370.471 2.507 50 0 FFAAHM CC(=O)CCC(=O)N1[C@@H]2CC[C@H]1Cc1nc(-c3ccccc3)[n-]c(=O)c1C2 ZINC000675010387 971484223 /nfs/dbraw/zinc/48/42/23/971484223.db2.gz JFULYZZKHMAMSQ-CVEARBPZSA-N -1 3 365.433 2.677 50 0 FFAAHM CCc1csc(C[N-]S(=O)(=O)c2cc(-c3ccno3)cs2)n1 ZINC000823543378 999054290 /nfs/dbraw/zinc/05/42/90/999054290.db2.gz ZREAPQXEOZIXHB-UHFFFAOYSA-N -1 3 355.466 2.901 50 0 FFAAHM O=S(=O)([N-]Cc1nncn1C1CCCCC1)c1ccc(Cl)s1 ZINC000825567104 999340440 /nfs/dbraw/zinc/34/04/40/999340440.db2.gz PRMDRDMCZQEULK-UHFFFAOYSA-N -1 3 360.892 2.977 50 0 FFAAHM COc1ccc(NC2(C(=O)NCc3cc(=O)[n-]c(C)n3)CCCCC2)cc1 ZINC001506428281 1059513533 /nfs/dbraw/zinc/51/35/33/1059513533.db2.gz OOKBDIYTYWROLO-UHFFFAOYSA-N -1 3 370.453 2.930 50 0 FFAAHM Cc1[nH]c2c(cccc2F)c1CC(=O)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000023251137 210159392 /nfs/dbraw/zinc/15/93/92/210159392.db2.gz SVMVHGROOBCUSF-CYBMUJFWSA-N -1 3 368.412 2.647 50 0 FFAAHM COc1nc(C)c(C(=O)N[C@H]2C[C@@H](c3cc(=O)[n-]c(C4CC4)n3)C2)s1 ZINC000253535779 222991898 /nfs/dbraw/zinc/99/18/98/222991898.db2.gz QBIOLLWLQUPDHU-PHIMTYICSA-N -1 3 360.439 2.509 50 0 FFAAHM CN(C)c1ccc(C(=O)OCC(=O)[N-]c2cc(C(C)(C)C)no2)cc1F ZINC000062345607 212029465 /nfs/dbraw/zinc/02/94/65/212029465.db2.gz QKJJOWHBJYPFFW-UHFFFAOYSA-N -1 3 363.389 2.973 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2cccnc2)CC1 ZINC000020717676 211293335 /nfs/dbraw/zinc/29/33/35/211293335.db2.gz CELYUQWTBRBLKJ-IBGZPJMESA-N -1 3 368.412 2.646 50 0 FFAAHM CCn1c([O-])c(C(=O)C[C@H]2NCCc3ccccc32)c(=O)n(CC)c1=S ZINC000020227695 211273249 /nfs/dbraw/zinc/27/32/49/211273249.db2.gz ZMBLEUBXFDKDAL-CQSZACIVSA-N -1 3 373.478 2.584 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1ccc(F)c(F)c1)Nc1cccc(Cl)c1 ZINC000015413538 211128800 /nfs/dbraw/zinc/12/88/00/211128800.db2.gz NOEGYIWSVPLERN-UHFFFAOYSA-N -1 3 374.796 2.925 50 0 FFAAHM CCOc1cc(C=C2SC(=O)[N-]C2=O)cc(Cl)c1OCC(=O)OC ZINC000013843873 211063350 /nfs/dbraw/zinc/06/33/50/211063350.db2.gz ULFFVKRDTWBHHQ-WDZFZDKYSA-N -1 3 371.798 2.614 50 0 FFAAHM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cc1 ZINC000013849477 211062614 /nfs/dbraw/zinc/06/26/14/211062614.db2.gz NZQKRUZWOUBHDR-UHFFFAOYSA-N -1 3 372.490 2.997 50 0 FFAAHM COc1cc([C@H]2NCCc3c4ccccc4[nH]c32)ccc1OCC(=O)[O-] ZINC000013361313 211031171 /nfs/dbraw/zinc/03/11/71/211031171.db2.gz UBOMAUNWCQSKAS-LJQANCHMSA-N -1 3 352.390 2.875 50 0 FFAAHM CCONC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1 ZINC000012856570 211001005 /nfs/dbraw/zinc/00/10/05/211001005.db2.gz GYLUBYUXAHMCJR-UHFFFAOYSA-N -1 3 354.815 2.822 50 0 FFAAHM O=C(Nc1ccc2c(c1)C(=O)[N-]C2=O)N1CCC[C@H]1Cc1cccc(F)c1 ZINC000065803013 221236929 /nfs/dbraw/zinc/23/69/29/221236929.db2.gz YIZUZLYVTFORDL-HNNXBMFYSA-N -1 3 367.380 2.948 50 0 FFAAHM CCOC(=O)C[C@@H](c1cccc(Cl)c1)c1oc(CO)cc(=O)c1[O-] ZINC000071279943 221337476 /nfs/dbraw/zinc/33/74/76/221337476.db2.gz RDDKXZGFZUAQNZ-ZDUSSCGKSA-N -1 3 352.770 2.576 50 0 FFAAHM CC(C)CN1CCc2nc[nH]c2C12CCN(c1cccc(C(=O)[O-])n1)CC2 ZINC000091656472 132203148 /nfs/dbraw/zinc/20/31/48/132203148.db2.gz UPSXABIBIDXZGI-UHFFFAOYSA-N -1 3 369.469 2.513 50 0 FFAAHM CC(C)CN1CCc2nc[nH]c2C12CCN(c1ccc(C(=O)[O-])cn1)CC2 ZINC000091951172 132205139 /nfs/dbraw/zinc/20/51/39/132205139.db2.gz UAQIYBAXVBFDDB-UHFFFAOYSA-N -1 3 369.469 2.513 50 0 FFAAHM O=S(=O)([N-]CC1CCN(c2ccccn2)CC1)c1ccc(Cl)s1 ZINC000043955173 136121483 /nfs/dbraw/zinc/12/14/83/136121483.db2.gz COCSPNUZLQCNES-UHFFFAOYSA-N -1 3 371.915 2.991 50 0 FFAAHM Cc1ncc(-c2nc(-c3ccncc3)nn2CCc2ccccc2)c(=O)[n-]1 ZINC000096164651 222064597 /nfs/dbraw/zinc/06/45/97/222064597.db2.gz NUBPTDRZGVHYRD-UHFFFAOYSA-N -1 3 358.405 2.642 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-][C@H](CO)C(C)(C)C)sc1Br ZINC000097238175 222170290 /nfs/dbraw/zinc/17/02/90/222170290.db2.gz IWRWTHWIIJUHMH-MRVPVSSYSA-N -1 3 356.307 2.504 50 0 FFAAHM CCOC(=O)[C@@]([O-])(c1ccc(NC(=O)c2ccco2)cc1)C(F)(F)F ZINC000002276418 506275835 /nfs/dbraw/zinc/27/58/35/506275835.db2.gz FEQVVWUVPPKXHK-HNNXBMFYSA-N -1 3 357.284 2.845 50 0 FFAAHM CCOC([O-])=NC(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000032945350 506316180 /nfs/dbraw/zinc/31/61/80/506316180.db2.gz UXPUYZBKBPYXNY-LLVKDONJSA-N -1 3 358.394 2.722 50 0 FFAAHM CCOC(=O)[N-]C(=O)COC(=O)c1ccc2[nH]c3c(c2c1)C[C@H](C)CC3 ZINC000032945350 506316181 /nfs/dbraw/zinc/31/61/81/506316181.db2.gz UXPUYZBKBPYXNY-LLVKDONJSA-N -1 3 358.394 2.722 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000004318933 506370984 /nfs/dbraw/zinc/37/09/84/506370984.db2.gz DHDDZLVDDDJJIT-ZDUSSCGKSA-N -1 3 352.774 2.513 50 0 FFAAHM CC1CCN(C(=O)C(=C([O-])c2ccc(F)cc2)n2ccccc2=O)CC1 ZINC000004575658 506382788 /nfs/dbraw/zinc/38/27/88/506382788.db2.gz USWUJLFZDDPHIG-SFHVURJKSA-N -1 3 356.397 2.670 50 0 FFAAHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc3c2N1CCC3 ZINC000004570155 506383994 /nfs/dbraw/zinc/38/39/94/506383994.db2.gz JSNYVJUEFIKORL-UHFFFAOYSA-N -1 3 364.373 2.601 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2Cl)cc1C ZINC000035506189 506385731 /nfs/dbraw/zinc/38/57/31/506385731.db2.gz ZJHGELFQOMXSLM-UHFFFAOYSA-N -1 3 351.815 2.927 50 0 FFAAHM Cc1ccccc1[N-]S(=O)(=O)c1ccc(C)c(NS(C)(=O)=O)c1C ZINC000004660742 506385969 /nfs/dbraw/zinc/38/59/69/506385969.db2.gz ALTVJKJFTGQOFY-UHFFFAOYSA-N -1 3 368.480 2.784 50 0 FFAAHM CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000038494369 506438796 /nfs/dbraw/zinc/43/87/96/506438796.db2.gz NSXSCTCKWRSTHJ-KRWDZBQOSA-N -1 3 351.410 2.733 50 0 FFAAHM CC(C)[C@H]([NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000038494369 506438801 /nfs/dbraw/zinc/43/88/01/506438801.db2.gz NSXSCTCKWRSTHJ-KRWDZBQOSA-N -1 3 351.410 2.733 50 0 FFAAHM Cc1csc(C[N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n1 ZINC000054516497 506572373 /nfs/dbraw/zinc/57/23/73/506572373.db2.gz JEVACNIYVSFLMC-UHFFFAOYSA-N -1 3 352.359 2.829 50 0 FFAAHM CC(=O)N1N=C(c2ccccc2[N-]S(C)(=O)=O)C[C@@H]1c1cccs1 ZINC000008774846 506669482 /nfs/dbraw/zinc/66/94/82/506669482.db2.gz KQQOQQLWJBWWGJ-OAHLLOKOSA-N -1 3 363.464 2.817 50 0 FFAAHM COc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3)cc1C ZINC000008962487 506675973 /nfs/dbraw/zinc/67/59/73/506675973.db2.gz YWMGUOWYZIFGOH-UHFFFAOYSA-N -1 3 360.435 2.998 50 0 FFAAHM CS(=O)(=O)[N-]c1ccc(C(=O)NCCCOC2CCCCC2)cc1 ZINC000010892170 506757089 /nfs/dbraw/zinc/75/70/89/506757089.db2.gz ZGSUNGVVVAFFDK-UHFFFAOYSA-N -1 3 354.472 2.527 50 0 FFAAHM COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000011713826 506790323 /nfs/dbraw/zinc/79/03/23/506790323.db2.gz UYHLSPNVELLPTC-ZDUSSCGKSA-N -1 3 362.451 2.866 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCO[C@H](CCCc2ccccc2)C1 ZINC000012192079 506831689 /nfs/dbraw/zinc/83/16/89/506831689.db2.gz MUBCVXDDYPRPLY-QGZVFWFLSA-N -1 3 350.422 2.822 50 0 FFAAHM CCOC(=O)[C@@H]1CSCCN1Cn1nc(-c2ccccc2)[n-]c1=S ZINC000012740381 506894456 /nfs/dbraw/zinc/89/44/56/506894456.db2.gz CSLVEVWUKBYMNX-ZDUSSCGKSA-N -1 3 364.496 2.546 50 0 FFAAHM COc1ccc(OCCCC(=O)Nc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000012799107 506904322 /nfs/dbraw/zinc/90/43/22/506904322.db2.gz FIKQFMJZABJSMD-UHFFFAOYSA-N -1 3 353.382 2.673 50 0 FFAAHM COc1ccc(OCCCC(=O)Nc2cccc(-c3nn[n-]n3)c2)cc1 ZINC000012799107 506904331 /nfs/dbraw/zinc/90/43/31/506904331.db2.gz FIKQFMJZABJSMD-UHFFFAOYSA-N -1 3 353.382 2.673 50 0 FFAAHM O=C1N[C@H](c2ccccc2)C(=C([O-])c2ccccc2)[C@@](O)(C(F)(F)F)N1 ZINC000013302702 506935913 /nfs/dbraw/zinc/93/59/13/506935913.db2.gz UOIWGJQFFMKHKC-CKEIUWERSA-N -1 3 364.323 2.791 50 0 FFAAHM O=C(c1ccc(-n2cccc2)cc1[O-])N1CCN(Cc2ccco2)CC1 ZINC000057985878 507360347 /nfs/dbraw/zinc/36/03/47/507360347.db2.gz LUYYFVHIZFRSCH-UHFFFAOYSA-N -1 3 351.406 2.734 50 0 FFAAHM COC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 ZINC000024485338 507415965 /nfs/dbraw/zinc/41/59/65/507415965.db2.gz MUMJJSSXIUEYOM-GFCCVEGCSA-N -1 3 361.391 2.609 50 0 FFAAHM Cc1nc([C@H]2CCCN(Cc3sc(N(C)C)nc3Cl)C2)cc(=O)[n-]1 ZINC000072149036 507758434 /nfs/dbraw/zinc/75/84/34/507758434.db2.gz NUXLTCYZEMNAPH-NSHDSACASA-N -1 3 367.906 2.634 50 0 FFAAHM O=C(Nc1ccccc1[O-])C1CCN(Cc2nnsc2Cl)CC1 ZINC000029140697 507763229 /nfs/dbraw/zinc/76/32/29/507763229.db2.gz RGHRPCPKXYQHFJ-UHFFFAOYSA-N -1 3 352.847 2.748 50 0 FFAAHM Cc1cc(C(=O)N2CCc3c(nc(-c4ccccc4)[n-]c3=O)C2)ccc1O ZINC000072161202 507765163 /nfs/dbraw/zinc/76/51/63/507765163.db2.gz VVZIUAWEPMCGDM-UHFFFAOYSA-N -1 3 361.401 2.649 50 0 FFAAHM O=C([O-])C1(n2ccnc2)CCN(Cc2ccccc2C(F)(F)F)CC1 ZINC000072433234 507790686 /nfs/dbraw/zinc/79/06/86/507790686.db2.gz INENKGJUNLUQDB-UHFFFAOYSA-N -1 3 353.344 2.978 50 0 FFAAHM O=S(=O)([N-][C@H]1CCCCC12OCCO2)c1cc(Cl)cc(Cl)c1 ZINC000089764375 507863352 /nfs/dbraw/zinc/86/33/52/507863352.db2.gz OPXCUUJXEPCNPF-ZDUSSCGKSA-N -1 3 366.266 2.957 50 0 FFAAHM CC(C)(C)c1ncc2c(n1)CC(C)(C)C[C@H]2NC(=O)c1c[nH]c(=O)cc1[O-] ZINC000091381101 507983107 /nfs/dbraw/zinc/98/31/07/507983107.db2.gz YOKLWEAPJNJCGN-CYBMUJFWSA-N -1 3 370.453 2.612 50 0 FFAAHM Cc1cc(=O)[n-]c(CCn2cc(-c3cccc(Cl)c3Cl)nn2)n1 ZINC000091595636 507995047 /nfs/dbraw/zinc/99/50/47/507995047.db2.gz CULZMFVEEGXFQX-UHFFFAOYSA-N -1 3 350.209 2.886 50 0 FFAAHM Cc1nc(C2CCN(C(=O)c3c[nH]nc3C3CCCCC3)CC2)cc(=O)[n-]1 ZINC000091846369 508018128 /nfs/dbraw/zinc/01/81/28/508018128.db2.gz XMVFKRYHTMVWCU-UHFFFAOYSA-N -1 3 369.469 2.869 50 0 FFAAHM Cc1ccsc1[C@H](CNC(=O)c1cnc(C(C)(C)C)[n-]c1=O)N(C)C ZINC000092062442 508039086 /nfs/dbraw/zinc/03/90/86/508039086.db2.gz PHEUGDIYOLSMQC-ZDUSSCGKSA-N -1 3 362.499 2.882 50 0 FFAAHM CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(Cl)[n-]c(=O)c2)cc1 ZINC000095469381 508187939 /nfs/dbraw/zinc/18/79/39/508187939.db2.gz JBUKBKVTHRRHMW-JTQLQIEISA-N -1 3 362.769 2.827 50 0 FFAAHM COCCn1ccc2cc(C(=O)Nc3n[n-]c([C@H]4CCCO4)n3)ccc21 ZINC000095473775 508188432 /nfs/dbraw/zinc/18/84/32/508188432.db2.gz GTMNXKFDZVBURM-OAHLLOKOSA-N -1 3 355.398 2.510 50 0 FFAAHM Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3n[n-]c([C@H]4CCCO4)n3)c12 ZINC000095475797 508188538 /nfs/dbraw/zinc/18/85/38/508188538.db2.gz GESKAWUZCIHNQN-CYBMUJFWSA-N -1 3 369.429 2.622 50 0 FFAAHM O=S(=O)([N-]c1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cc1 ZINC000095956072 508199293 /nfs/dbraw/zinc/19/92/93/508199293.db2.gz UUTROSFYJBYCPQ-UHFFFAOYSA-N -1 3 366.870 2.973 50 0 FFAAHM CCN1CCN(C(C)(C)Cn2ccnc2-c2ccccc2C(=O)[O-])CC1 ZINC000077425270 508315019 /nfs/dbraw/zinc/31/50/19/508315019.db2.gz KKTHKFDGZCYMHI-UHFFFAOYSA-N -1 3 356.470 2.664 50 0 FFAAHM O=C(Cc1ccc([O-])c(F)c1)N1CCC([C@@H](O)Cc2ccccc2)CC1 ZINC000077554541 508333939 /nfs/dbraw/zinc/33/39/39/508333939.db2.gz CGMCARPPFKYZIP-FQEVSTJZSA-N -1 3 357.425 2.916 50 0 FFAAHM CN(C)[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000218300504 509275822 /nfs/dbraw/zinc/27/58/22/509275822.db2.gz GUYJHGJBQNAWMD-SKDRFNHKSA-N -1 3 364.751 2.588 50 0 FFAAHM COc1cc(C(=O)N2CCC(Cc3noc(C4CC4)n3)CC2)ccc1[O-] ZINC000223948262 509351143 /nfs/dbraw/zinc/35/11/43/509351143.db2.gz DWSMPLLIXXYNLR-UHFFFAOYSA-N -1 3 357.410 2.756 50 0 FFAAHM CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000236639873 509469676 /nfs/dbraw/zinc/46/96/76/509469676.db2.gz BDLSUFOIEDDVJY-UHFFFAOYSA-N -1 3 374.890 2.579 50 0 FFAAHM CC1(C)Cc2ccc(C(=O)N3CCN(c4ccccc4O)CC3)c([O-])c2O1 ZINC000170621232 509682714 /nfs/dbraw/zinc/68/27/14/509682714.db2.gz FZDQWUGSGHOWCQ-UHFFFAOYSA-N -1 3 368.433 2.774 50 0 FFAAHM COc1cc(C=c2sc3nc4ccccc4n3c2=O)cc(Cl)c1[O-] ZINC000252670152 509857263 /nfs/dbraw/zinc/85/72/63/509857263.db2.gz JSSYOUYULPZJJS-UHFFFAOYSA-N -1 3 358.806 2.825 50 0 FFAAHM CCN(CC(=O)[N-]c1cc(-c2ccc(C)cc2)no1)CC(=O)NC(C)(C)C ZINC000020684479 520355867 /nfs/dbraw/zinc/35/58/67/520355867.db2.gz PBWHOQABLUJOKZ-UHFFFAOYSA-N -1 3 372.469 2.825 50 0 FFAAHM Cc1cccc(CSc2nc3c(nc[n-]c3=O)n2C[C@@H]2CCCO2)c1 ZINC000020408112 524463238 /nfs/dbraw/zinc/46/32/38/524463238.db2.gz CDRHKQQSPXPARY-AWEZNQCLSA-N -1 3 356.451 2.899 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)cc(=O)[n-]1 ZINC000082134585 527044718 /nfs/dbraw/zinc/04/47/18/527044718.db2.gz TWJDMDNCDSKHQH-GFCCVEGCSA-N -1 3 369.450 2.550 50 0 FFAAHM COc1ccc2c(c1)[n-]cc(C(=O)NC[C@@H]1COc3ccccc3C1)c2=O ZINC000083970196 571063461 /nfs/dbraw/zinc/06/34/61/571063461.db2.gz BRYQJFOHEQNISC-CYBMUJFWSA-N -1 3 364.401 2.518 50 0 FFAAHM Cc1cc(C)nc(SCC(=O)[N-]c2nc(=O)c3ccccc3s2)n1 ZINC000013465249 571130234 /nfs/dbraw/zinc/13/02/34/571130234.db2.gz IAZJGYRIEUVMPU-UHFFFAOYSA-N -1 3 358.448 2.794 50 0 FFAAHM Cc1nc(S(=O)(=O)[N-]CC[C@@H](c2ccco2)c2ccccc2)cn1C ZINC000670461025 571356915 /nfs/dbraw/zinc/35/69/15/571356915.db2.gz VBKFYKNGRMUMGA-MRXNPFEDSA-N -1 3 359.451 2.822 50 0 FFAAHM CC(=N[N-]S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(C)o1 ZINC000254524586 729626694 /nfs/dbraw/zinc/62/66/94/729626694.db2.gz SNVBSPWDZNXMIF-UHFFFAOYSA-N -1 3 357.775 2.852 50 0 FFAAHM CCc1nc2c(c(=O)[n-]1)C[C@H]1CC[C@@H](C2)N1C(=O)c1sc(C)nc1C ZINC000675010195 971484070 /nfs/dbraw/zinc/48/40/70/971484070.db2.gz GTVGQYSHWBZDEZ-NEPJUHHUSA-N -1 3 358.467 2.590 50 0 FFAAHM Cc1ccc(OC2CCN(C(=O)c3nnc4ccccc4c3[O-])CC2)cc1 ZINC000116981047 960551677 /nfs/dbraw/zinc/55/16/77/960551677.db2.gz AKXICMYBBCOUES-UHFFFAOYSA-N -1 3 363.417 2.915 50 0 FFAAHM Cc1c(C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)n[nH]c1-c1ccccc1 ZINC000952984346 1011039447 /nfs/dbraw/zinc/03/94/47/1011039447.db2.gz KMFHTADVIQKALJ-UHFFFAOYSA-N -1 3 361.365 2.943 50 0 FFAAHM O=C(Nc1cccc(N2CCCCC2=O)c1)c1nnc2ccccc2c1[O-] ZINC000111563480 1011328515 /nfs/dbraw/zinc/32/85/15/1011328515.db2.gz WFLXZPFMTQEBJA-UHFFFAOYSA-N -1 3 362.389 2.692 50 0 FFAAHM O=C([O-])C1(n2ccnc2)CCN(Cc2cc(-c3ccccc3)no2)CC1 ZINC000072454344 1019901981 /nfs/dbraw/zinc/90/19/81/1019901981.db2.gz OSEHUHUADRYLOW-UHFFFAOYSA-N -1 3 352.394 2.614 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCC(Oc3ccncc3)CC2)cc1OC ZINC001529172141 1062199942 /nfs/dbraw/zinc/19/99/42/1062199942.db2.gz JZPKDDBIDBQQGD-IBGZPJMESA-N -1 3 372.421 2.768 50 0 FFAAHM O=S(=O)([N-]Cc1ccco1)c1cnc(Cl)c(Br)c1 ZINC000000703802 210262928 /nfs/dbraw/zinc/26/29/28/210262928.db2.gz WIJZDCWKKZXSRE-UHFFFAOYSA-N -1 3 351.609 2.569 50 0 FFAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@](C)(c2cccc(Br)c2)S1 ZINC000000642822 210256761 /nfs/dbraw/zinc/25/67/61/210256761.db2.gz QVNUJARFHZGMDY-ZDUSSCGKSA-N -1 3 356.245 2.624 50 0 FFAAHM O=C(C[C@@](O)(c1nc2ccccc2o1)C(F)(F)F)Nc1ncccc1[O-] ZINC000058306514 212003635 /nfs/dbraw/zinc/00/36/35/212003635.db2.gz MSCJKNOXMJPLPG-OAHLLOKOSA-N -1 3 367.283 2.707 50 0 FFAAHM O=C1CCCC[C@H]1Sc1nc(C2CC2)nc2c1c(=O)[n-]c(=O)n2C1CC1 ZINC000023559749 211391609 /nfs/dbraw/zinc/39/16/09/211391609.db2.gz GEKZGXZFKLOBRM-GFCCVEGCSA-N -1 3 372.450 2.708 50 0 FFAAHM Cc1cc([N-]C(=O)[C@@H](C)OC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)on1 ZINC000021910428 211331047 /nfs/dbraw/zinc/33/10/47/211331047.db2.gz FXFGGHJTSVWPSO-LLVKDONJSA-N -1 3 373.409 2.959 50 0 FFAAHM O=C([O-])[C@H](c1c[nH]c2ccccc21)N1CCN(Cc2ccncc2)CC1 ZINC000020676133 211294121 /nfs/dbraw/zinc/29/41/21/211294121.db2.gz UENOSIWBMTUOAJ-IBGZPJMESA-N -1 3 350.422 2.506 50 0 FFAAHM Cn1c(SCc2cccc(Br)c2)nc2c1nc[n-]c2=O ZINC000020427939 211279355 /nfs/dbraw/zinc/27/93/55/211279355.db2.gz HWFFUBHXSWDPRA-UHFFFAOYSA-N -1 3 351.229 2.711 50 0 FFAAHM CC(C)c1ccc(S(=O)(=O)NCCC(=O)Nc2ccccc2[O-])cc1 ZINC000014137500 211077413 /nfs/dbraw/zinc/07/74/13/211077413.db2.gz XWSVEELWDISILV-UHFFFAOYSA-N -1 3 362.451 2.823 50 0 FFAAHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3F)ccc21 ZINC000012856540 211001078 /nfs/dbraw/zinc/00/10/78/211001078.db2.gz AFFNEMWJCRGNTB-UHFFFAOYSA-N -1 3 370.352 2.814 50 0 FFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1 ZINC000001148024 210326267 /nfs/dbraw/zinc/32/62/67/210326267.db2.gz IFDVETALYSEKFQ-UHFFFAOYSA-N -1 3 355.799 2.693 50 0 FFAAHM COC[C@H](C)NC(=O)CSc1nnc([N-]c2ccccc2F)s1 ZINC000009544467 210286938 /nfs/dbraw/zinc/28/69/38/210286938.db2.gz RUKXRAZZGLFWBF-VIFPVBQESA-N -1 3 356.448 2.664 50 0 FFAAHM CCCOc1ccc(CNC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1 ZINC000048354774 221010383 /nfs/dbraw/zinc/01/03/83/221010383.db2.gz CPGNDQUOEKXNIT-UHFFFAOYSA-N -1 3 362.451 2.777 50 0 FFAAHM CCO[N-]C(=O)CC/C(C)=C/Cc1c(O)c2c(c(C)c1OC)COC2=O ZINC000276527516 256107592 /nfs/dbraw/zinc/10/75/92/256107592.db2.gz CQAPNPDITPFICO-IZZDOVSWSA-N -1 3 363.410 2.716 50 0 FFAAHM Cc1nc(C)c(CC(=O)N[C@H]2CCC[C@H]2Cc2ccc(F)cc2)c(=O)[n-]1 ZINC000067433795 221254033 /nfs/dbraw/zinc/25/40/33/221254033.db2.gz XABLCURGGPRUJE-YJBOKZPZSA-N -1 3 357.429 2.596 50 0 FFAAHM Cc1ccc([O-])c(C(=O)N[C@@H]2CC(=O)N(CCCc3ccccc3)C2)c1 ZINC000072143494 221421278 /nfs/dbraw/zinc/42/12/78/221421278.db2.gz WVLRAVUQENGRTK-QGZVFWFLSA-N -1 3 352.434 2.664 50 0 FFAAHM COc1ccc(C(=O)N2CC(=O)N(c3ccccc3Cl)C[C@@H]2C)c([O-])c1 ZINC000082137370 132197003 /nfs/dbraw/zinc/19/70/03/132197003.db2.gz XPXPSKFUZUYSBD-LBPRGKRZSA-N -1 3 374.824 2.932 50 0 FFAAHM CCc1cc(N2CCC[C@H](c3cc(=O)[n-]c(C)n3)C2)n2nc(C)c(C)c2n1 ZINC000072439591 136147794 /nfs/dbraw/zinc/14/77/94/136147794.db2.gz WSRDFWJHIDTHCZ-HNNXBMFYSA-N -1 3 366.469 2.684 50 0 FFAAHM O=c1[n-]n(C2CCOCC2)c2c1[C@H](c1ccsc1)SCC(=O)N2 ZINC000096118011 222032365 /nfs/dbraw/zinc/03/23/65/222032365.db2.gz BRBKVFFCACFVBK-ZDUSSCGKSA-N -1 3 351.453 2.776 50 0 FFAAHM CO[C@@H]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C1 ZINC000096122365 222034579 /nfs/dbraw/zinc/03/45/79/222034579.db2.gz NABVXESFMVQXKV-CQSZACIVSA-N -1 3 368.405 2.991 50 0 FFAAHM COc1cccc(S(=O)(=O)[N-]c2ccc(N3CC[C@H](OC)C3)cc2)c1 ZINC000096122363 222034677 /nfs/dbraw/zinc/03/46/77/222034677.db2.gz FYNXJHOVXCUJDF-KRWDZBQOSA-N -1 3 362.451 2.721 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2Cl)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100053610 222234221 /nfs/dbraw/zinc/23/42/21/222234221.db2.gz VDIZIYFCLMTVGZ-DOTOQJQBSA-N -1 3 367.792 2.663 50 0 FFAAHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100224955 222239391 /nfs/dbraw/zinc/23/93/91/222239391.db2.gz SWLLRBKZGOIQEH-NVXWUHKLSA-N -1 3 367.792 2.663 50 0 FFAAHM COc1ccc(OCC(=O)N2NC3=C(CCCC3)[C@]2([O-])C(F)(F)F)cc1 ZINC000032117692 506232205 /nfs/dbraw/zinc/23/22/05/506232205.db2.gz SOIAXOUTRDUZBI-BBRMVZONSA-N -1 3 372.343 2.713 50 0 FFAAHM CC(C)[N-]S(=O)(=O)c1cc(Br)ccc1Br ZINC000032601717 506270111 /nfs/dbraw/zinc/27/01/11/506270111.db2.gz NKOVXBHVHUSFSP-UHFFFAOYSA-N -1 3 357.067 2.898 50 0 FFAAHM Cn1ncc(Br)c1C(=O)[N-]c1c(F)c(F)cc(F)c1F ZINC000002767122 506291950 /nfs/dbraw/zinc/29/19/50/506291950.db2.gz JHHHPNFVBMNTMI-UHFFFAOYSA-N -1 3 352.085 2.991 50 0 FFAAHM COc1ccccc1NC(=O)[C@@H]([N-]S(=O)(=O)c1cccs1)C(C)C ZINC000032975881 506319964 /nfs/dbraw/zinc/31/99/64/506319964.db2.gz JEGIMFVYXJJNTN-HNNXBMFYSA-N -1 3 368.480 2.698 50 0 FFAAHM Cc1nn(C)c(C)c1CC[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000033060014 506331430 /nfs/dbraw/zinc/33/14/30/506331430.db2.gz JFFJABZHHTUESS-UHFFFAOYSA-N -1 3 361.389 2.577 50 0 FFAAHM CCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2)CC1 ZINC000033274641 506353054 /nfs/dbraw/zinc/35/30/54/506353054.db2.gz XJIYEEWBLODUGA-UHFFFAOYSA-N -1 3 374.462 2.664 50 0 FFAAHM CCOC(=O)c1nnsc1[N-]C(=O)N1CCCC[C@H]1c1cccnc1 ZINC000033436053 506356818 /nfs/dbraw/zinc/35/68/18/506356818.db2.gz DKEYIOLHUVZWQJ-LBPRGKRZSA-N -1 3 361.427 2.869 50 0 FFAAHM O=C(c1csc(S(=O)(=O)[N-]CCc2ccccc2)c1)N1CCCC1 ZINC000035405051 506382414 /nfs/dbraw/zinc/38/24/14/506382414.db2.gz HDZRDFOYVLRJGT-UHFFFAOYSA-N -1 3 364.492 2.505 50 0 FFAAHM Cc1nc(N2CCCC2)ncc1-c1cc(=O)[n-]c(NCc2ccccc2)n1 ZINC000039383749 506450623 /nfs/dbraw/zinc/45/06/23/506450623.db2.gz LGARTBVXKSREQW-UHFFFAOYSA-N -1 3 362.437 2.748 50 0 FFAAHM CC(C)(C(=O)Nc1cccc([C@@]2(C)NC(=O)[N-]C2=O)c1)c1ccccc1 ZINC000040117755 506470555 /nfs/dbraw/zinc/47/05/55/506470555.db2.gz YUKOOLWMGZQQLX-HXUWFJFHSA-N -1 3 351.406 2.658 50 0 FFAAHM CCC(CC)C(=O)Nc1nnc(SCc2cc(=O)c([O-])co2)s1 ZINC000041127967 506492855 /nfs/dbraw/zinc/49/28/55/506492855.db2.gz PRGLEBSGLVOUCK-UHFFFAOYSA-N -1 3 355.441 2.864 50 0 FFAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccccn1 ZINC000007059559 506530744 /nfs/dbraw/zinc/53/07/44/506530744.db2.gz UIDJFJFWNDLZDW-UHFFFAOYSA-N -1 3 371.256 2.721 50 0 FFAAHM CCc1ccc(S(=O)(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)Cl)s1 ZINC000008782646 506668819 /nfs/dbraw/zinc/66/88/19/506668819.db2.gz MDNTUROKSIAPAW-SNVBAGLBSA-N -1 3 358.819 2.601 50 0 FFAAHM CC[C@H](C(=O)NCc1nc(C)cc(=O)[n-]1)n1cc(C(C)=O)c2ccccc21 ZINC000055091019 506675280 /nfs/dbraw/zinc/67/52/80/506675280.db2.gz NWKIRAFJAZJKMQ-MRXNPFEDSA-N -1 3 366.421 2.503 50 0 FFAAHM CC(=O)N1C[C@@H](C)Oc2ccc(S(=O)(=O)[N-]c3ccccc3C)cc21 ZINC000009117623 506684007 /nfs/dbraw/zinc/68/40/07/506684007.db2.gz ZETBJELWRGLZOO-CYBMUJFWSA-N -1 3 360.435 2.930 50 0 FFAAHM CC(=O)Nc1ccc([O-])c(C(=O)N2CCN(Cc3cccc(C)c3)CC2)c1 ZINC000055127915 506684167 /nfs/dbraw/zinc/68/41/67/506684167.db2.gz FZUGVLINHGXDEH-UHFFFAOYSA-N -1 3 367.449 2.617 50 0 FFAAHM COC(=O)c1sc2ccccc2c1S(=O)(=O)[N-]Cc1ccccn1 ZINC000009646557 506707413 /nfs/dbraw/zinc/70/74/13/506707413.db2.gz ZUBGCANQPPZJFO-UHFFFAOYSA-N -1 3 362.432 2.561 50 0 FFAAHM O=C(Nc1ccc(Cl)cc1)[C@@H]1C=C([O-])NC(Nc2ccc(F)cc2)=N1 ZINC000009698427 506708628 /nfs/dbraw/zinc/70/86/28/506708628.db2.gz YGXUUVJNIYRMKY-AWEZNQCLSA-N -1 3 360.776 2.774 50 0 FFAAHM O=C(COc1ccccc1)N1CCC(C(=O)Nc2ccccc2[O-])CC1 ZINC000010293241 506735570 /nfs/dbraw/zinc/73/55/70/506735570.db2.gz ISUBIGMAFLFYNY-UHFFFAOYSA-N -1 3 354.406 2.648 50 0 FFAAHM COC(=O)c1cc([N-]C(=O)c2nn(-c3ccccc3)nc2C)c(F)cc1F ZINC000012850033 506908944 /nfs/dbraw/zinc/90/89/44/506908944.db2.gz LZKHJVKWAXQMTN-UHFFFAOYSA-N -1 3 372.331 2.893 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000025522379 507509035 /nfs/dbraw/zinc/50/90/35/507509035.db2.gz MXDIPIBQSAXNEH-UHFFFAOYSA-N -1 3 360.841 2.882 50 0 FFAAHM Cc1nn(C(C)C)c(C)c1CN1CCC(C(=O)[O-])(n2ccnc2C)CC1 ZINC000072407279 507783821 /nfs/dbraw/zinc/78/38/21/507783821.db2.gz QBAGHFQHDHIZDA-UHFFFAOYSA-N -1 3 359.474 2.662 50 0 FFAAHM O=C1CCCN1c1ccc(NCc2nc(C(F)(F)F)cc(=O)[n-]2)cc1 ZINC000089793160 507867065 /nfs/dbraw/zinc/86/70/65/507867065.db2.gz PLQGCKWNVIADHH-UHFFFAOYSA-N -1 3 352.316 2.528 50 0 FFAAHM CCn1ccnc1[C@@H]1CCCN(C(=O)c2c[n-]c3ccc(F)cc3c2=O)C1 ZINC000091757201 508008739 /nfs/dbraw/zinc/00/87/39/508008739.db2.gz IUJPSUFCCHVHOF-CYBMUJFWSA-N -1 3 368.412 2.903 50 0 FFAAHM COCC[C@]1(C(=O)[O-])CCCN(Cc2cc3c(cc2Cl)OCO3)C1 ZINC000092107893 508045347 /nfs/dbraw/zinc/04/53/47/508045347.db2.gz TWODVRBLAWNBMP-QGZVFWFLSA-N -1 3 355.818 2.772 50 0 FFAAHM O=C([O-])[C@@H](c1cccc2c1OCC2)N1CCC(Oc2cccnc2)CC1 ZINC000095523350 508194937 /nfs/dbraw/zinc/19/49/37/508194937.db2.gz APZXWPNYIHOTGR-GOSISDBHSA-N -1 3 354.406 2.686 50 0 FFAAHM Cc1cc(C(=O)N2CCC[C@@H](c3cc(=O)[n-]cn3)C2)c2ccc(F)cc2n1 ZINC000085532970 508311879 /nfs/dbraw/zinc/31/18/79/508311879.db2.gz GKDNZKOVIDNEOT-CYBMUJFWSA-N -1 3 366.396 2.785 50 0 FFAAHM Cc1ccc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)c([O-])c1 ZINC000077469813 508319891 /nfs/dbraw/zinc/31/98/91/508319891.db2.gz TVNPTIVXLAWXCX-OAQYLSRUSA-N -1 3 356.466 2.955 50 0 FFAAHM O=C(c1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000077523015 508327924 /nfs/dbraw/zinc/32/79/24/508327924.db2.gz GUFITDKFOQUARU-HNNXBMFYSA-N -1 3 361.405 2.602 50 0 FFAAHM O=C(c1ccccc1)[C@H]1CCCN(C(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000077523015 508327926 /nfs/dbraw/zinc/32/79/26/508327926.db2.gz GUFITDKFOQUARU-HNNXBMFYSA-N -1 3 361.405 2.602 50 0 FFAAHM O=C([O-])[C@]12CN(Cc3ccccc3F)C[C@H]1CN(C(=O)CC1CCCC1)C2 ZINC000215787715 509252760 /nfs/dbraw/zinc/25/27/60/509252760.db2.gz HZHGOZPFSUVGDO-UWJYYQICSA-N -1 3 374.456 2.751 50 0 FFAAHM Cc1nc([C@H]2CCCN(Cc3nn(C)c4cccc(Cl)c34)C2)cc(=O)[n-]1 ZINC000216303527 509260434 /nfs/dbraw/zinc/26/04/34/509260434.db2.gz LZGUODDTPJCCGF-ZDUSSCGKSA-N -1 3 371.872 2.998 50 0 FFAAHM O=C(c1c[n-]c2cc(Cl)ccc2c1=O)N1CCO[C@H](c2cccnc2)C1 ZINC000221361913 509309152 /nfs/dbraw/zinc/30/91/52/509309152.db2.gz MKJZJCXJSVRAJO-KRWDZBQOSA-N -1 3 369.808 2.790 50 0 FFAAHM COc1cc(CN2CCCN(C)CC2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000222428280 509315854 /nfs/dbraw/zinc/31/58/54/509315854.db2.gz ZCDWQLKDELGUNE-UHFFFAOYSA-N -1 3 374.437 2.703 50 0 FFAAHM C[C@@H]1CCN(C(=O)CN(C)S(=O)(=O)c2ccccc2)c2c([O-])cccc21 ZINC000186267343 509613124 /nfs/dbraw/zinc/61/31/24/509613124.db2.gz FXLZIRROICXVSV-CQSZACIVSA-N -1 3 374.462 2.553 50 0 FFAAHM CC1(C)Cc2ccc(C(=O)NCCOc3ccc4c(c3)OCO4)c([O-])c2O1 ZINC000170621233 509683892 /nfs/dbraw/zinc/68/38/92/509683892.db2.gz SXAMQMIZMUVFOH-UHFFFAOYSA-N -1 3 371.389 2.643 50 0 FFAAHM CCCCCCOc1ccc(C=NNc2[n-]c(=O)nnc2C)cc1OC ZINC000252477463 509838845 /nfs/dbraw/zinc/83/88/45/509838845.db2.gz OIYLCJPMWIWXDR-UHFFFAOYSA-N -1 3 359.430 2.887 50 0 FFAAHM Cc1c[nH]nc1C1CCN(CCC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC000244659801 509863329 /nfs/dbraw/zinc/86/33/29/509863329.db2.gz HIXWIJFJOSDTFR-UHFFFAOYSA-N -1 3 362.455 2.686 50 0 FFAAHM O=C(c1[n-]c(=O)nc2ccccc21)N1CCCN(Cc2cccs2)CC1 ZINC000426431139 513938695 /nfs/dbraw/zinc/93/86/95/513938695.db2.gz UKSFVPUKHYNJIJ-UHFFFAOYSA-N -1 3 368.462 2.745 50 0 FFAAHM COC(=O)c1ccc(-c2cccc(C(=O)NC[C@H]3CCCO3)c2)c([O-])c1 ZINC000534656779 517986826 /nfs/dbraw/zinc/98/68/26/517986826.db2.gz BSABYBRSWSKWFY-MRXNPFEDSA-N -1 3 355.390 2.755 50 0 FFAAHM C[C@@H](c1ccc(-c2ccc([N-]S(C)(=O)=O)nc2)cc1)N1CCOCC1 ZINC000534667003 517993212 /nfs/dbraw/zinc/99/32/12/517993212.db2.gz PYBWGUPTXKDKLD-AWEZNQCLSA-N -1 3 361.467 2.513 50 0 FFAAHM COc1ccc(-n2cc(C(=O)[N-]c3nnc(CC(C)C)s3)nn2)cc1 ZINC000020890888 523326502 /nfs/dbraw/zinc/32/65/02/523326502.db2.gz IEGJHFQZQONHPV-UHFFFAOYSA-N -1 3 358.427 2.578 50 0 FFAAHM Cc1cc(=O)[n-]c(-c2ccnc(N[C@@H]3CCN(C(=O)OC(C)(C)C)C3)c2)n1 ZINC000952882107 1011007013 /nfs/dbraw/zinc/00/70/13/1011007013.db2.gz UCMPTOSAXBYPPA-CQSZACIVSA-N -1 3 371.441 2.974 50 0 FFAAHM Cc1cccc([C@H](C(=O)Nc2ccc(Oc3nnn[n-]3)cc2)N(C)C)c1 ZINC000952978979 1011024374 /nfs/dbraw/zinc/02/43/74/1011024374.db2.gz LVKIRESCYRCORR-MRXNPFEDSA-N -1 3 352.398 2.542 50 0 FFAAHM Cc1cccc([C@H](C(=O)Nc2ccc(Oc3nn[n-]n3)cc2)N(C)C)c1 ZINC000952978979 1011024379 /nfs/dbraw/zinc/02/43/79/1011024379.db2.gz LVKIRESCYRCORR-MRXNPFEDSA-N -1 3 352.398 2.542 50 0 FFAAHM O=C(Cc1ccc([O-])c(Cl)c1)N1CCc2[nH]cnc2[C@@H]1c1cccnc1 ZINC001506417205 1059507150 /nfs/dbraw/zinc/50/71/50/1059507150.db2.gz OOJAULXFBXJCMP-IBGZPJMESA-N -1 3 368.824 2.881 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)c2cccc(Br)c2)N1 ZINC000000820275 219325824 /nfs/dbraw/zinc/32/58/24/219325824.db2.gz JNYGDGHCLQSDSV-LLVKDONJSA-N -1 3 351.122 2.922 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1 ZINC000001049487 219358954 /nfs/dbraw/zinc/35/89/54/219358954.db2.gz NJFYFUVXDNKJBB-VIFPVBQESA-N -1 3 365.282 2.719 50 0 FFAAHM C[C@H](c1ccccc1)N1CCn2c3ccc([N-]S(C)(=O)=O)cc3nc2C1 ZINC000001079524 219366389 /nfs/dbraw/zinc/36/63/89/219366389.db2.gz GLKOCNVIMGSYIJ-CQSZACIVSA-N -1 3 370.478 2.985 50 0 FFAAHM O=S(=O)([N-]CCc1ccncc1)c1cc(Br)ccc1F ZINC000001113138 219371254 /nfs/dbraw/zinc/37/12/54/219371254.db2.gz ITNVNHHHPICJGA-UHFFFAOYSA-N -1 3 359.220 2.504 50 0 FFAAHM O=C(CCc1cccc2ccccc21)N1CCC(n2c([O-])coc2=O)CC1 ZINC000253403642 222984699 /nfs/dbraw/zinc/98/46/99/222984699.db2.gz QGOGCVRJBDYPOD-UHFFFAOYSA-N -1 3 366.417 2.742 50 0 FFAAHM O=C([N-]N1C(=O)NC2(CCCCC2)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000006993068 219786695 /nfs/dbraw/zinc/78/66/95/219786695.db2.gz HCYZUBJHIKPJJN-UHFFFAOYSA-N -1 3 356.209 2.893 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)NCc1ccccc1OC(F)F ZINC000012758855 220025806 /nfs/dbraw/zinc/02/58/06/220025806.db2.gz NEOBPRWSCOVJIP-UHFFFAOYSA-N -1 3 369.393 2.591 50 0 FFAAHM Cc1nn(Cc2ccc(Br)cc2)c(C)c1[N-]S(C)(=O)=O ZINC000014224446 220117151 /nfs/dbraw/zinc/11/71/51/220117151.db2.gz NMHJBUKMYKJMLU-UHFFFAOYSA-N -1 3 358.261 2.682 50 0 FFAAHM Cc1ccc(NC(=O)C=C2[N-]S(=O)(=O)c3ccccc3N2)c(Cl)c1 ZINC000015826732 220166828 /nfs/dbraw/zinc/16/68/28/220166828.db2.gz KLONMOWFBGNNKV-UHFFFAOYSA-N -1 3 363.826 2.999 50 0 FFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)cc1 ZINC000048367890 221011127 /nfs/dbraw/zinc/01/11/27/221011127.db2.gz MUBCXSVZWSJRCH-UHFFFAOYSA-N -1 3 373.789 2.832 50 0 FFAAHM COc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C)[nH]c3c(=O)[n-]2)cc1 ZINC000057521170 221090307 /nfs/dbraw/zinc/09/03/07/221090307.db2.gz ZIKOSFKXIQGYGQ-LLVKDONJSA-N -1 3 372.450 2.538 50 0 FFAAHM CCN(Cc1ccccc1)C(=O)CSc1nc2cc(C)[nH]c2c(=O)[n-]1 ZINC000057520889 221091207 /nfs/dbraw/zinc/09/12/07/221091207.db2.gz UCAVOHKPEHNFLT-UHFFFAOYSA-N -1 3 356.451 2.700 50 0 FFAAHM C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)C[C@@H](c2ccccc2)O1 ZINC000068651779 221316807 /nfs/dbraw/zinc/31/68/07/221316807.db2.gz WRTOSGSPCOSYJX-PXAZEXFGSA-N -1 3 365.389 2.564 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@@]21c2cccc(Cl)c2N(C)C1=O ZINC000071280197 221336717 /nfs/dbraw/zinc/33/67/17/221336717.db2.gz RMTRLYPRYZZORD-QGZVFWFLSA-N -1 3 360.801 2.665 50 0 FFAAHM CCC[C@@H]1CCc2sc(C(=O)N3CCc4c(=O)[n-]cnc4C3)cc2C1 ZINC000071415568 221346285 /nfs/dbraw/zinc/34/62/85/221346285.db2.gz IXHVVOKOAOABHF-GFCCVEGCSA-N -1 3 357.479 2.935 50 0 FFAAHM Cc1ncc(CN2CCN(C(=O)c3cc([O-])ccc3Cl)CC2)s1 ZINC000290940980 257366639 /nfs/dbraw/zinc/36/66/39/257366639.db2.gz ZSOJKBONMIXVLZ-UHFFFAOYSA-N -1 3 351.859 2.769 50 0 FFAAHM C[C@@H]1CN(C2CCN(c3ccc(Cl)c(C(=O)[O-])n3)CC2)C[C@H](C)O1 ZINC000095365986 132207969 /nfs/dbraw/zinc/20/79/69/132207969.db2.gz NAINDZOAUUGRED-TXEJJXNPSA-N -1 3 353.850 2.511 50 0 FFAAHM O=C(c1cc(Cc2ccccc2)ccc1[O-])N1CCN(c2ncccn2)CC1 ZINC000060349321 136132343 /nfs/dbraw/zinc/13/23/43/136132343.db2.gz LHDMOODLXMHMAH-UHFFFAOYSA-N -1 3 374.444 2.735 50 0 FFAAHM COCc1cc(=O)c([O-])c([C@H](CC(=O)OC)c2cc(F)c(F)c(F)c2)o1 ZINC000096117077 222032441 /nfs/dbraw/zinc/03/24/41/222032441.db2.gz ZTBGEAOLSGTLNU-SNVBAGLBSA-N -1 3 372.295 2.604 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc[nH]c2=O)S1 ZINC000096117545 222032853 /nfs/dbraw/zinc/03/28/53/222032853.db2.gz WFQJFAIAJOSTPR-BXUZGUMPSA-N -1 3 374.466 2.881 50 0 FFAAHM O=S(=O)([N-]CCn1nc(-c2ccncc2)cc1C1CC1)c1cccs1 ZINC000096121677 222033891 /nfs/dbraw/zinc/03/38/91/222033891.db2.gz IVLRDOAVXIQLTG-UHFFFAOYSA-N -1 3 374.491 2.863 50 0 FFAAHM COC(=O)c1sc2[n-]c(CCn3cnc4ccccc43)nc(=O)c2c1C ZINC000097164487 222165757 /nfs/dbraw/zinc/16/57/57/222165757.db2.gz PIGRNMSTEDBXCU-UHFFFAOYSA-N -1 3 368.418 2.672 50 0 FFAAHM O=C([O-])c1ccc(C(=O)NCCN2CCC(c3ccccc3)CC2)cc1 ZINC000097572287 222193303 /nfs/dbraw/zinc/19/33/03/222193303.db2.gz DBHIHUIARQSMIG-UHFFFAOYSA-N -1 3 352.434 2.994 50 0 FFAAHM O=C1CC(N(O)c2ccccc2)=C([O-])N1c1ccc(Br)cc1 ZINC000101027799 222261164 /nfs/dbraw/zinc/26/11/64/222261164.db2.gz WFLWXZNDWUASGI-AWEZNQCLSA-N -1 3 361.195 2.977 50 0 FFAAHM Cc1ccc(NS(C)(=O)=O)cc1S(=O)(=O)[N-]c1ccccc1Cl ZINC000005885179 506459641 /nfs/dbraw/zinc/45/96/41/506459641.db2.gz YFDOTMMMFCUEGF-UHFFFAOYSA-N -1 3 374.871 2.821 50 0 FFAAHM CCOC(=O)N[C@@]([N-]c1ccc(F)cc1)(C(=O)OCC)C(F)(F)F ZINC000001650024 506266772 /nfs/dbraw/zinc/26/67/72/506266772.db2.gz CCSFRRAOBXPBPN-ZDUSSCGKSA-N -1 3 352.284 2.805 50 0 FFAAHM COC(=O)[C@]([O-])(c1ccc(N(C)C(=O)c2cccs2)cc1)C(F)(F)F ZINC000002266339 506275853 /nfs/dbraw/zinc/27/58/53/506275853.db2.gz WEWJFFHVOAJVRU-OAHLLOKOSA-N -1 3 373.352 2.948 50 0 FFAAHM O=S(=O)([N-]Cc1ccc(-n2cccn2)nc1)c1ccc(F)cc1Cl ZINC000032759487 506291996 /nfs/dbraw/zinc/29/19/96/506291996.db2.gz VKHVRDGZJSMUCG-UHFFFAOYSA-N -1 3 366.805 2.538 50 0 FFAAHM COc1cc(S(=O)(=O)[N-]c2ccc(Br)cc2)ccc1N ZINC000003260037 506316340 /nfs/dbraw/zinc/31/63/40/506316340.db2.gz UYRPNLFHJPKNBU-UHFFFAOYSA-N -1 3 357.229 2.841 50 0 FFAAHM Cc1cc(C)n(CCC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)n1 ZINC000033327068 506355562 /nfs/dbraw/zinc/35/55/62/506355562.db2.gz AQMLAMLEWFLTQP-SWLSCSKDSA-N -1 3 358.364 2.529 50 0 FFAAHM CCOC(=O)c1nnsc1[N-]C(=O)N1CCCC[C@@H]1c1cccnc1 ZINC000033436052 506358012 /nfs/dbraw/zinc/35/80/12/506358012.db2.gz DKEYIOLHUVZWQJ-GFCCVEGCSA-N -1 3 361.427 2.869 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)COc2ccc(Cl)c(C)c2)N1 ZINC000004163587 506363004 /nfs/dbraw/zinc/36/30/04/506363004.db2.gz VWUVGGJZQJZFAZ-ZDUSSCGKSA-N -1 3 350.724 2.886 50 0 FFAAHM CC(=O)Nc1ccc([N-]S(=O)(=O)CCOc2ccc(F)cc2)cc1 ZINC000036180643 506399832 /nfs/dbraw/zinc/39/98/32/506399832.db2.gz GXFWSDLQLPNYJZ-UHFFFAOYSA-N -1 3 352.387 2.605 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3ccc(Cl)cc3)c(=O)c1-2 ZINC000004957077 506409531 /nfs/dbraw/zinc/40/95/31/506409531.db2.gz XCCQWAIPVYBTNL-WBVHZDCISA-N -1 3 367.792 2.663 50 0 FFAAHM Clc1ccc([N-]c2nnc(Cn3nnc(-c4cccnc4)n3)o2)cc1 ZINC000039932697 506456266 /nfs/dbraw/zinc/45/62/66/506456266.db2.gz ZYRQDPQEMRCAIG-UHFFFAOYSA-N -1 3 354.761 2.563 50 0 FFAAHM Cc1nn([C@H](C)C(=O)N2NC(C)=C[C@@]2([O-])C(F)(F)F)c(C)c1Cl ZINC000006526579 506485758 /nfs/dbraw/zinc/48/57/58/506485758.db2.gz BQLZOIDOZHVFDT-BXKDBHETSA-N -1 3 352.744 2.573 50 0 FFAAHM CC(=O)N1CCOc2ccc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc21 ZINC000006778693 506505106 /nfs/dbraw/zinc/50/51/06/506505106.db2.gz DCEUXXGCVAZPRH-UHFFFAOYSA-N -1 3 360.435 2.850 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCC3)ccc2C)cc1 ZINC000008195542 506631450 /nfs/dbraw/zinc/63/14/50/506631450.db2.gz WSDLDNDCELGMSU-UHFFFAOYSA-N -1 3 360.435 2.650 50 0 FFAAHM CCCOC(=O)c1ccccc1NC(=O)c1c([O-])c2c([nH]c1=O)CCCC2 ZINC000009045490 506679730 /nfs/dbraw/zinc/67/97/30/506679730.db2.gz KXVQQWPUVFBPOI-UHFFFAOYSA-N -1 3 370.405 2.778 50 0 FFAAHM Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)c1 ZINC000009828181 506712973 /nfs/dbraw/zinc/71/29/73/506712973.db2.gz NPFXSBLRUCLTDM-UHFFFAOYSA-N -1 3 360.435 2.569 50 0 FFAAHM COc1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(C)c2)c(OC)c1 ZINC000010314318 506737628 /nfs/dbraw/zinc/73/76/28/506737628.db2.gz APEGJCYTJUZLFQ-UHFFFAOYSA-N -1 3 364.423 2.636 50 0 FFAAHM O=C(Nc1ccc(C[N-]S(=O)(=O)c2cc(F)ccc2F)cc1)C1CC1 ZINC000010670723 506749150 /nfs/dbraw/zinc/74/91/50/506749150.db2.gz GCBLWGSHCPOWAF-UHFFFAOYSA-N -1 3 366.389 2.792 50 0 FFAAHM CCc1nnc(CSc2nc3c(cnn3-c3ccccc3)c(=O)[n-]2)o1 ZINC000012879177 506912385 /nfs/dbraw/zinc/91/23/85/506912385.db2.gz ZFUYCSUPOCZMBQ-UHFFFAOYSA-N -1 3 354.395 2.759 50 0 FFAAHM O=C(c1c[n-]c2ccccc2c1=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000022233954 507285162 /nfs/dbraw/zinc/28/51/62/507285162.db2.gz ATSQLWNDTFZBMB-UHFFFAOYSA-N -1 3 351.381 2.630 50 0 FFAAHM C[C@H](NC(=O)CC[N-]S(=O)(=O)c1cccs1)c1cccc(Cl)c1 ZINC000023482731 507356011 /nfs/dbraw/zinc/35/60/11/507356011.db2.gz SVPVMMNRCPRFMG-NSHDSACASA-N -1 3 372.899 2.947 50 0 FFAAHM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nnn[n-]3)cc1)O[C@@H](C)C2 ZINC000024974671 507454979 /nfs/dbraw/zinc/45/49/79/507454979.db2.gz LOAOSOCNPRETRU-NSHDSACASA-N -1 3 365.393 2.841 50 0 FFAAHM CCOc1cc2c(cc1NC(=O)c1ccc(-c3nn[n-]n3)cc1)O[C@@H](C)C2 ZINC000024974671 507454985 /nfs/dbraw/zinc/45/49/85/507454985.db2.gz LOAOSOCNPRETRU-NSHDSACASA-N -1 3 365.393 2.841 50 0 FFAAHM CCS(=O)(=O)[N-]c1ccccc1C1=NN(C(C)=O)[C@H](c2ccco2)C1 ZINC000060101655 507513787 /nfs/dbraw/zinc/51/37/87/507513787.db2.gz YIJHMNPZDIAZDW-INIZCTEOSA-N -1 3 361.423 2.739 50 0 FFAAHM COc1cccc(CN2CCC[C@H]([N-]S(=O)(=O)c3cccs3)C2)c1 ZINC000072157540 507763922 /nfs/dbraw/zinc/76/39/22/507763922.db2.gz XSLRSYGDBRZQKW-HNNXBMFYSA-N -1 3 366.508 2.700 50 0 FFAAHM CC1(C)Cc2cc(CN3CCC(C(=O)[O-])(n4ccnc4)CC3)ccc2O1 ZINC000072407694 507784788 /nfs/dbraw/zinc/78/47/88/507784788.db2.gz OQBOWHPBYQTSCS-UHFFFAOYSA-N -1 3 355.438 2.673 50 0 FFAAHM O=C([O-])C1(Oc2ccccc2)CCN(Cc2ccc3nonc3c2)CC1 ZINC000072425552 507788473 /nfs/dbraw/zinc/78/84/73/507788473.db2.gz GKARAAYXDPZTHG-UHFFFAOYSA-N -1 3 353.378 2.721 50 0 FFAAHM O=C1CCc2cc([N-]S(=O)(=O)CCOc3ccc(F)cc3)ccc2N1 ZINC000078236323 507848300 /nfs/dbraw/zinc/84/83/00/507848300.db2.gz WBNDQAYOWNOEPW-UHFFFAOYSA-N -1 3 364.398 2.531 50 0 FFAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CC=C(c2ccccc2)CC1 ZINC000091526304 507991532 /nfs/dbraw/zinc/99/15/32/507991532.db2.gz LLGILGQSYMJSBN-UHFFFAOYSA-N -1 3 361.401 2.672 50 0 FFAAHM COc1ccnc(CN2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)c1OC ZINC000091625505 507997151 /nfs/dbraw/zinc/99/71/51/507997151.db2.gz OGNVDWWDZXWFNM-LSDHHAIUSA-N -1 3 360.385 2.538 50 0 FFAAHM CCn1ccnc1[C@H]1CCCN(C(=O)c2c[n-]c3ccc(F)cc3c2=O)C1 ZINC000091757204 508008886 /nfs/dbraw/zinc/00/88/86/508008886.db2.gz IUJPSUFCCHVHOF-ZDUSSCGKSA-N -1 3 368.412 2.903 50 0 FFAAHM Cc1ccc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)c([O-])c1 ZINC000095350713 508174167 /nfs/dbraw/zinc/17/41/67/508174167.db2.gz VVBHQCOCPFBUQC-UHFFFAOYSA-N -1 3 374.400 2.811 50 0 FFAAHM CCOc1cccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccncc3)CC2)c1 ZINC000095383180 508181674 /nfs/dbraw/zinc/18/16/74/508181674.db2.gz MWWQXMXSEGZUKG-FQEVSTJZSA-N -1 3 369.465 2.814 50 0 FFAAHM Cc1nc(C2CCN(C(=O)C3=Cc4ccccc4OC=C3)CC2)cc(=O)[n-]1 ZINC000095389399 508183487 /nfs/dbraw/zinc/18/34/87/508183487.db2.gz RWTJBMFPNJGJNA-UHFFFAOYSA-N -1 3 363.417 2.774 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCN(C3CCCCC3)CC2)cc1OC ZINC000095390075 508183504 /nfs/dbraw/zinc/18/35/04/508183504.db2.gz HSETXPUPDKKMRQ-IBGZPJMESA-N -1 3 362.470 2.780 50 0 FFAAHM Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cc(-c2ccco2)[n-]n1 ZINC000225610152 509379602 /nfs/dbraw/zinc/37/96/02/509379602.db2.gz HTQCEDTXUQNRNB-UHFFFAOYSA-N -1 3 351.366 2.760 50 0 FFAAHM Cc1ccc(N2CCNC2=O)cc1NC(=O)c1cc(-c2ccco2)n[n-]1 ZINC000225610152 509379609 /nfs/dbraw/zinc/37/96/09/509379609.db2.gz HTQCEDTXUQNRNB-UHFFFAOYSA-N -1 3 351.366 2.760 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)c1 ZINC000227168305 509405329 /nfs/dbraw/zinc/40/53/29/509405329.db2.gz SCPPDZUOGBWFIY-NSHDSACASA-N -1 3 362.407 2.524 50 0 FFAAHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000237128647 509579038 /nfs/dbraw/zinc/57/90/38/509579038.db2.gz IHHWJDHUHXPSAB-NWDGAFQWSA-N -1 3 359.253 2.572 50 0 FFAAHM O=C(N[C@H]1C[C@H](c2cc(=O)[n-]c(C3CC3)n2)C1)c1ccc2c(c1)CCO2 ZINC000253535410 509886661 /nfs/dbraw/zinc/88/66/61/509886661.db2.gz OXVQBQBMCNJMKQ-SHTZXODSSA-N -1 3 351.406 2.671 50 0 FFAAHM O=C([O-])c1cc(-c2ccc(C(=O)N3CCN4CCC[C@H]4C3)cc2)ccc1O ZINC000426488534 513956595 /nfs/dbraw/zinc/95/65/95/513956595.db2.gz ZUUBSUYAXREZIQ-KRWDZBQOSA-N -1 3 366.417 2.678 50 0 FFAAHM COc1c[n-]c(C(=O)Nc2ccc3[nH]c(C(F)(F)F)nc3c2)cc1=O ZINC000524733320 516808553 /nfs/dbraw/zinc/80/85/53/516808553.db2.gz HOQXGTYQTDREEV-UHFFFAOYSA-N -1 3 352.272 2.531 50 0 FFAAHM CC(C)(C)OC(=O)N1CCN([C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC000526056009 517317649 /nfs/dbraw/zinc/31/76/49/517317649.db2.gz TVCKYHKNEULKGU-HNNXBMFYSA-N -1 3 368.861 2.888 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@H](c1cc2ccccc2o1)N(C)C ZINC000575621444 518239681 /nfs/dbraw/zinc/23/96/81/518239681.db2.gz OHRAQGCUFGFMIT-CQSZACIVSA-N -1 3 363.439 2.619 50 0 FFAAHM CCCNc1ncc(CN2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)cn1 ZINC000091269694 520191588 /nfs/dbraw/zinc/19/15/88/520191588.db2.gz FNMRZHZXLUHGTL-ZWKOTPCHSA-N -1 3 354.454 2.907 50 0 FFAAHM CC(C)c1cc(N2CCC([N-]S(=O)(=O)c3cccs3)CC2)ncn1 ZINC000599452446 521236293 /nfs/dbraw/zinc/23/62/93/521236293.db2.gz WXXCNQUVVDZKEN-UHFFFAOYSA-N -1 3 366.512 2.609 50 0 FFAAHM COc1ccc([C@@H]2CCCN2CC[N-]S(=O)(=O)c2cccs2)cc1 ZINC000085558033 525250827 /nfs/dbraw/zinc/25/08/27/525250827.db2.gz ZCBQEGSYAZWKMR-INIZCTEOSA-N -1 3 366.508 2.872 50 0 FFAAHM CC(C)(C)c1cc(C(=O)NCC2(c3ccccc3)CCOCC2)[n-]c(=O)n1 ZINC000299793490 526752092 /nfs/dbraw/zinc/75/20/92/526752092.db2.gz GRSFMKCUMJEHJO-UHFFFAOYSA-N -1 3 369.465 2.958 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3conc3-c3ccccc3)C2)cc(=O)[n-]1 ZINC000082109540 527046111 /nfs/dbraw/zinc/04/61/11/527046111.db2.gz TZHQGTIJKJDVQF-OAHLLOKOSA-N -1 3 364.405 2.753 50 0 FFAAHM O=C(c1ccccc1-c1nnn[n-]1)N1CCC([C@H](O)c2cccs2)CC1 ZINC001506395238 1059487128 /nfs/dbraw/zinc/48/71/28/1059487128.db2.gz FAJAFNARQUQZCN-INIZCTEOSA-N -1 3 369.450 2.514 50 0 FFAAHM O=C(c1ccccc1-c1nn[n-]n1)N1CCC([C@H](O)c2cccs2)CC1 ZINC001506395238 1059487140 /nfs/dbraw/zinc/48/71/40/1059487140.db2.gz FAJAFNARQUQZCN-INIZCTEOSA-N -1 3 369.450 2.514 50 0 FFAAHM CCOC(=O)c1sc([N-]C(=O)C(F)(F)F)c(C(=O)OCC)c1C ZINC000000721759 219317278 /nfs/dbraw/zinc/31/72/78/219317278.db2.gz UOPNPLXVIHOYFT-UHFFFAOYSA-N -1 3 353.318 2.911 50 0 FFAAHM O=S(=O)([N-][C@H]1CCCc2nc(-c3cccnc3)ncc21)c1cccs1 ZINC000014976025 220139261 /nfs/dbraw/zinc/13/92/61/220139261.db2.gz OQPALLHVPFCFCJ-HNNXBMFYSA-N -1 3 372.475 2.956 50 0 FFAAHM CCOc1ccc([N-]S(=O)(=O)c2cc3c(cc2C)NC(=O)CO3)cc1 ZINC000020491636 220329053 /nfs/dbraw/zinc/32/90/53/220329053.db2.gz XGEAMQSTNSUCSN-UHFFFAOYSA-N -1 3 362.407 2.525 50 0 FFAAHM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000020714002 220339536 /nfs/dbraw/zinc/33/95/36/220339536.db2.gz YDAHMKZDGQDNDT-FQEVSTJZSA-N -1 3 364.449 2.815 50 0 FFAAHM CCCn1c(=O)[n-]nc1SCCCCN1C(=O)c2ccccc2C1=O ZINC000021686202 220363672 /nfs/dbraw/zinc/36/36/72/220363672.db2.gz NYNUPIYUYMFYOY-UHFFFAOYSA-N -1 3 360.439 2.562 50 0 FFAAHM CCc1cc(=O)[n-]c(-c2cccc(NC(=O)c3ccnc(N(C)C)c3)c2)n1 ZINC000049301663 221020706 /nfs/dbraw/zinc/02/07/06/221020706.db2.gz NWZJZYNWEZMINY-UHFFFAOYSA-N -1 3 363.421 2.713 50 0 FFAAHM O=S(=O)([N-]Cc1cccc2c1OCCO2)c1ccccc1C(F)(F)F ZINC000060371478 221130408 /nfs/dbraw/zinc/13/04/08/221130408.db2.gz VQWOKDHRBPDJLC-UHFFFAOYSA-N -1 3 373.352 2.955 50 0 FFAAHM O=C(NCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl)c1ccc([O-])cc1 ZINC000058377502 221117001 /nfs/dbraw/zinc/11/70/01/221117001.db2.gz XHXVHXJGMVHXFX-HZPDHXFCSA-N -1 3 358.825 2.695 50 0 FFAAHM Cc1cc(C)c2c(c1)nc(C)cc2C(=O)NCCc1cc(=O)[n-]c(C)n1 ZINC000063855514 221143950 /nfs/dbraw/zinc/14/39/50/221143950.db2.gz YBJRSBUMWHBITN-UHFFFAOYSA-N -1 3 350.422 2.524 50 0 FFAAHM Cc1cc2c(cc1[N-]S(=O)(=O)c1cc(C)c(C)cc1C)n(C)c(=O)n2C ZINC000064591873 221149013 /nfs/dbraw/zinc/14/90/13/221149013.db2.gz GDOBFUFWVVMUGN-UHFFFAOYSA-N -1 3 373.478 2.911 50 0 FFAAHM c1cc(-c2ccc(-c3c(-c4ccccc4)ncn3Cc3nnn[n-]3)o2)n[nH]1 ZINC000067675740 221269664 /nfs/dbraw/zinc/26/96/64/221269664.db2.gz UGINKIMWASCMBI-UHFFFAOYSA-N -1 3 358.365 2.762 50 0 FFAAHM c1cc(-c2ccc(-c3c(-c4ccccc4)ncn3Cc3nn[n-]n3)o2)n[nH]1 ZINC000067675740 221269665 /nfs/dbraw/zinc/26/96/65/221269665.db2.gz UGINKIMWASCMBI-UHFFFAOYSA-N -1 3 358.365 2.762 50 0 FFAAHM COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Nc4c3c(=O)[n-]n4C(C)C)cc2c1 ZINC000071280625 221338138 /nfs/dbraw/zinc/33/81/38/221338138.db2.gz PSKKXIMHKFOMIA-LBPRGKRZSA-N -1 3 368.393 2.731 50 0 FFAAHM O=C(c1c[nH]c(=O)cc1[O-])N1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000071404247 221345979 /nfs/dbraw/zinc/34/59/79/221345979.db2.gz IWMWJRODQVLMRS-GFCCVEGCSA-N -1 3 362.376 2.844 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 ZINC000077285663 221599732 /nfs/dbraw/zinc/59/97/32/221599732.db2.gz NGEFLHWAORGCDZ-INIZCTEOSA-N -1 3 360.377 2.985 50 0 FFAAHM C/C=C\c1ccc(OCC(=O)Nc2cccc(-c3nnn[n-]3)c2)c(OC)c1 ZINC000096568745 222124873 /nfs/dbraw/zinc/12/48/73/222124873.db2.gz LBSRUETXNNFIKM-HYXAFXHYSA-N -1 3 365.393 2.926 50 0 FFAAHM C/C=C\c1ccc(OCC(=O)Nc2cccc(-c3nn[n-]n3)c2)c(OC)c1 ZINC000096568745 222124877 /nfs/dbraw/zinc/12/48/77/222124877.db2.gz LBSRUETXNNFIKM-HYXAFXHYSA-N -1 3 365.393 2.926 50 0 FFAAHM CC(C)[C@@H]([N-]S(=O)(=O)/C=C\c1ccccc1)C(=O)Nc1nccs1 ZINC000096569845 222125018 /nfs/dbraw/zinc/12/50/18/222125018.db2.gz XXGGEHFNINDREB-KOTGUFOOSA-N -1 3 365.480 2.697 50 0 FFAAHM CCCCn1c(-c2ccc([O-])c(F)c2)nc2c1c(=O)[nH]c(=O)n2CCCC ZINC000097021588 222151860 /nfs/dbraw/zinc/15/18/60/222151860.db2.gz STGDROMWMDAWGP-UHFFFAOYSA-N -1 3 374.416 2.998 50 0 FFAAHM CN1CCC(Cc2nc([C@H]3Cc4ccccc4S3)n(CC(=O)[O-])n2)CC1 ZINC000097463709 222181530 /nfs/dbraw/zinc/18/15/30/222181530.db2.gz IBIGYJIUDQNZBG-MRXNPFEDSA-N -1 3 372.494 2.637 50 0 FFAAHM O=c1cc(CN2CCC[C@@H](CCc3ccc(F)c(F)c3)C2)nc2[n-]cnn21 ZINC000102440002 222296708 /nfs/dbraw/zinc/29/67/08/222296708.db2.gz YSZYCHAEDZCXTA-AWEZNQCLSA-N -1 3 373.407 2.541 50 0 FFAAHM COC(=O)[C@@]([O-])(c1ccc(NC(=O)c2cccs2)cc1)C(F)(F)F ZINC000002275875 506276679 /nfs/dbraw/zinc/27/66/79/506276679.db2.gz MVNOTWOSQGETPX-AWEZNQCLSA-N -1 3 359.325 2.923 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)NCc1cccnc1 ZINC000002698089 506288026 /nfs/dbraw/zinc/28/80/26/506288026.db2.gz FTIFDSXJJVLYDI-CQSZACIVSA-N -1 3 367.327 2.672 50 0 FFAAHM CN(CC(=O)Nc1ccccc1[O-])S(=O)(=O)c1ccc2ccccc2c1 ZINC000032855803 506303941 /nfs/dbraw/zinc/30/39/41/506303941.db2.gz PQZFSZFFPWOXMV-UHFFFAOYSA-N -1 3 370.430 2.805 50 0 FFAAHM CC(C)C[C@@H]([N-]S(=O)(=O)c1cc(Cl)ccc1Cl)C(=O)N(C)C ZINC000032929479 506314149 /nfs/dbraw/zinc/31/41/49/506314149.db2.gz WABJIPVLBUGPTF-GFCCVEGCSA-N -1 3 367.298 2.775 50 0 FFAAHM COc1cc(-c2cc([O-])c3c(=O)c(OC)c(OC)cc-3o2)cc(O)c1OC ZINC000003589844 506344500 /nfs/dbraw/zinc/34/45/00/506344500.db2.gz WVDMIOIJGFCRJQ-UHFFFAOYSA-N -1 3 374.345 2.906 50 0 biogenic,in-vitro FFAAHM COc1ccc(CC(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000004265580 506367688 /nfs/dbraw/zinc/36/76/88/506367688.db2.gz FBMBSEUDUIVHTF-CZUORRHYSA-N -1 3 356.344 2.877 50 0 FFAAHM O=C([N-]c1ccc(F)cc1F)c1ccc(S(=O)(=O)N2CCCC2)o1 ZINC000036392314 506405132 /nfs/dbraw/zinc/40/51/32/506405132.db2.gz LWZPHDXKKRFODC-UHFFFAOYSA-N -1 3 356.350 2.595 50 0 FFAAHM CC[C@@H](Sc1nc2c(cnn2-c2ccc(F)cc2)c(=O)[n-]1)C(=O)OC ZINC000005967731 506463207 /nfs/dbraw/zinc/46/32/07/506463207.db2.gz CGNUJPSZAUYPRN-GFCCVEGCSA-N -1 3 362.386 2.704 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2)NC(=O)[N-]C1=O ZINC000040118476 506469729 /nfs/dbraw/zinc/46/97/29/506469729.db2.gz GOEDCDNWYAESEI-NWVYZFQHSA-N -1 3 367.449 2.896 50 0 FFAAHM COc1cccc(OCc2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)c1 ZINC000006490788 506484352 /nfs/dbraw/zinc/48/43/52/506484352.db2.gz XJLCEKWGWCHLIJ-UHFFFAOYSA-N -1 3 371.418 2.915 50 0 FFAAHM COc1ccc(-c2nnc3sc([N-]C(=O)c4ccco4)nn32)cc1OC ZINC000041076505 506490946 /nfs/dbraw/zinc/49/09/46/506490946.db2.gz VRSVWDLOKLFTJP-UHFFFAOYSA-N -1 3 371.378 2.715 50 0 FFAAHM Cc1c([O-])ccc2c(COC(=O)[C@H]3COc4ccccc4O3)cc(=O)oc12 ZINC000008281781 506638788 /nfs/dbraw/zinc/63/87/88/506638788.db2.gz APAXKDRMHCPEIV-QGZVFWFLSA-N -1 3 368.341 2.690 50 0 FFAAHM N=C1Nc2nc3ccccc3n2[C@H](c2ccc([O-])c(Br)c2)N1 ZINC000008704728 506662547 /nfs/dbraw/zinc/66/25/47/506662547.db2.gz YVKLLLRVYNDFRI-CYBMUJFWSA-N -1 3 358.199 2.601 50 0 FFAAHM COc1ccc(SCCC(=O)Nc2ccc3c(c2)C(=O)[N-]C3=O)cc1 ZINC000010032354 506723601 /nfs/dbraw/zinc/72/36/01/506723601.db2.gz GYEQQXQCLDHLLP-UHFFFAOYSA-N -1 3 356.403 2.700 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)Nc1ccc(NC(=O)C(C)C)cc1 ZINC000010935986 506760358 /nfs/dbraw/zinc/76/03/58/506760358.db2.gz PJVMNLVFMZUYOQ-UHFFFAOYSA-N -1 3 374.466 2.907 50 0 FFAAHM O=C(NCCNC(=O)c1ccc([O-])cc1)Nc1ccccc1N1CCCC1 ZINC000046850925 507209152 /nfs/dbraw/zinc/20/91/52/507209152.db2.gz OLGWBSRHSRKARC-UHFFFAOYSA-N -1 3 368.437 2.544 50 0 FFAAHM O=S(=O)([N-]C[C@@H]1COc2ccccc2O1)c1ccccc1C(F)(F)F ZINC000047030235 507253617 /nfs/dbraw/zinc/25/36/17/507253617.db2.gz ULIAOPDDEBFZGG-LLVKDONJSA-N -1 3 373.352 2.824 50 0 FFAAHM Cc1ncc2c(c1-c1noc(-c3ncccc3[O-])n1)CCN(CC1CC1)C2 ZINC000023580652 507360314 /nfs/dbraw/zinc/36/03/14/507360314.db2.gz IKDUUOKMRNXZCP-UHFFFAOYSA-N -1 3 363.421 2.976 50 0 FFAAHM O=C(CCn1[n-]c(=O)c2ccccc2c1=O)N1CCC[C@@H]1c1cccs1 ZINC000025453391 507501936 /nfs/dbraw/zinc/50/19/36/507501936.db2.gz JUCOFHHBNXSYBT-OAHLLOKOSA-N -1 3 369.446 2.505 50 0 FFAAHM Cn1c(CN2CCC(C(=O)[O-])(n3ccnc3)CC2)cc2cc(F)ccc21 ZINC000072422170 507787819 /nfs/dbraw/zinc/78/78/19/507787819.db2.gz QLDJPXZMDFCZND-UHFFFAOYSA-N -1 3 356.401 2.590 50 0 FFAAHM O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)c1ccccc1[O-] ZINC000029800824 507790937 /nfs/dbraw/zinc/79/09/37/507790937.db2.gz IQDXEVBXEKZZLH-QGZVFWFLSA-N -1 3 360.841 2.849 50 0 FFAAHM Cc1[nH]nc2c1[C@@H](c1ccc(Cl)c(Cl)c1)c1c(=O)[n-]c(=O)[nH]c1N2 ZINC000031812156 507821862 /nfs/dbraw/zinc/82/18/62/507821862.db2.gz GYIDDGODUAABMW-SNVBAGLBSA-N -1 3 364.192 2.639 50 0 FFAAHM CCN1CCc2nc[nH]c2C12CCN(C(=O)c1cc(Cl)ccc1[O-])CC2 ZINC000091594212 507994645 /nfs/dbraw/zinc/99/46/45/507994645.db2.gz NOFWVSOHDPIOMI-UHFFFAOYSA-N -1 3 374.872 2.778 50 0 FFAAHM CCc1nn(C)c(Cl)c1CN1CCC[C@](CCCOC)(C(=O)[O-])C1 ZINC000092098674 508043427 /nfs/dbraw/zinc/04/34/27/508043427.db2.gz ANHAPRILPFTGMK-QGZVFWFLSA-N -1 3 357.882 2.729 50 0 FFAAHM COc1ccc(F)cc1[C@H](C(=O)[O-])N1CCCN(Cc2ccncc2)CC1 ZINC000095360671 508176139 /nfs/dbraw/zinc/17/61/39/508176139.db2.gz LQCAKHXHYPFCHB-LJQANCHMSA-N -1 3 373.428 2.563 50 0 FFAAHM CCOc1cccc([C@@H](C(=O)[O-])N2CCCN(Cc3ccccn3)CC2)c1 ZINC000095368115 508177799 /nfs/dbraw/zinc/17/77/99/508177799.db2.gz IDLAQFJHNXWVMN-FQEVSTJZSA-N -1 3 369.465 2.814 50 0 FFAAHM COc1ccc(C)cc1[C@@H](C(=O)[O-])N1CCCN(Cc2cccnc2)CC1 ZINC000095388242 508182755 /nfs/dbraw/zinc/18/27/55/508182755.db2.gz LARBRSUJDYNUIZ-FQEVSTJZSA-N -1 3 369.465 2.732 50 0 FFAAHM COc1ccc([C@H](C(=O)[O-])N2CCN(C3CCCCC3)CC2)cc1OC ZINC000095390076 508183721 /nfs/dbraw/zinc/18/37/21/508183721.db2.gz HSETXPUPDKKMRQ-LJQANCHMSA-N -1 3 362.470 2.780 50 0 FFAAHM CN(C)C1(CNc2nc3c(c(=O)[n-]2)Cc2ccccc2OC3)CCCC1 ZINC000095500623 508190687 /nfs/dbraw/zinc/19/06/87/508190687.db2.gz DGBXLOMDEJKGJH-UHFFFAOYSA-N -1 3 354.454 2.539 50 0 FFAAHM O=C([O-])[C@H](c1cccc2c1OCC2)N1CCC(Oc2cccnc2)CC1 ZINC000095523349 508194636 /nfs/dbraw/zinc/19/46/36/508194636.db2.gz APZXWPNYIHOTGR-SFHVURJKSA-N -1 3 354.406 2.686 50 0 FFAAHM CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)C(=O)[O-] ZINC000077286962 508296078 /nfs/dbraw/zinc/29/60/78/508296078.db2.gz NSXSCTCKWRSTHJ-QGZVFWFLSA-N -1 3 351.410 2.733 50 0 in-vitro FFAAHM CC(C)[C@@H]([NH2+]Cc1ccc(-c2ccccc2-c2nn[n-]n2)cc1)C(=O)[O-] ZINC000077286962 508296081 /nfs/dbraw/zinc/29/60/81/508296081.db2.gz NSXSCTCKWRSTHJ-QGZVFWFLSA-N -1 3 351.410 2.733 50 0 in-vitro FFAAHM O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2-c2nnn[n-]2)C1 ZINC000077523012 508327621 /nfs/dbraw/zinc/32/76/21/508327621.db2.gz GUFITDKFOQUARU-OAHLLOKOSA-N -1 3 361.405 2.602 50 0 FFAAHM O=C(c1ccccc1)[C@@H]1CCCN(C(=O)c2ccccc2-c2nn[n-]n2)C1 ZINC000077523012 508327626 /nfs/dbraw/zinc/32/76/26/508327626.db2.gz GUFITDKFOQUARU-OAHLLOKOSA-N -1 3 361.405 2.602 50 0 FFAAHM Cc1cccc2c1CCN2C(=O)[C@@H]1CCCN1C(=O)c1ccccc1[O-] ZINC000126842501 509136551 /nfs/dbraw/zinc/13/65/51/509136551.db2.gz PGJMBDYLVVUZNA-SFHVURJKSA-N -1 3 350.418 2.895 50 0 FFAAHM CN1CCN(Cc2ccc(OCCc3ccccc3)cc2)C[C@@H]1C(=O)[O-] ZINC000215791144 509253883 /nfs/dbraw/zinc/25/38/83/509253883.db2.gz YWRSJLVHZMSKLA-HXUWFJFHSA-N -1 3 354.450 2.509 50 0 FFAAHM Cc1cc(C)n([C@H]2CCN(CCC(=O)Nc3ccsc3C(=O)[O-])C2)n1 ZINC000244673971 509863416 /nfs/dbraw/zinc/86/34/16/509863416.db2.gz HZBFEJLPTJQLFV-ZDUSSCGKSA-N -1 3 362.455 2.535 50 0 FFAAHM CC(C)(C)c1cc(C(=O)N[C@@H](c2ccccc2)[C@H]2C[C@@H](O)C2)[n-]c(=O)n1 ZINC000253535713 509888534 /nfs/dbraw/zinc/88/85/34/509888534.db2.gz NLQFBPHBNNKNNM-VBQJREDUSA-N -1 3 355.438 2.722 50 0 FFAAHM O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2ccc3n[n-]nc3c2)CC1 ZINC000171077068 509926478 /nfs/dbraw/zinc/92/64/78/509926478.db2.gz YJXDXIKXTBROGP-UHFFFAOYSA-N -1 3 367.384 2.588 50 0 FFAAHM O=C([O-])Cn1ccc([C@@H]2CCCN(CCCC(=O)c3ccc(F)cc3)C2)n1 ZINC000426674329 514011879 /nfs/dbraw/zinc/01/18/79/514011879.db2.gz RWSJKNOIZHHPNL-MRXNPFEDSA-N -1 3 373.428 2.949 50 0 FFAAHM CCO[C@H]1C[C@@H](NC(=O)N=c2cc(OC(F)F)n(C)[n-]2)C12CCCCC2 ZINC000548327744 516901505 /nfs/dbraw/zinc/90/15/05/516901505.db2.gz ATZVDBYPORGNCC-NEPJUHHUSA-N -1 3 372.416 3.271 50 0 FFAAHM Cc1nc(CN2CC[C@@H]([N-]c3nc(-c4ccccc4)no3)[C@H](O)C2)cs1 ZINC000299771685 534364337 /nfs/dbraw/zinc/36/43/37/534364337.db2.gz VQYVSVJZRXVZJG-HZPDHXFCSA-N -1 3 371.466 2.549 50 0 FFAAHM CN1CCC[C@@H](CNC(=O)c2ccc(C(=O)[O-])nc2)[C@@H]1c1ccccc1 ZINC000630343042 522805497 /nfs/dbraw/zinc/80/54/97/522805497.db2.gz YTXKGZGSKXQSBE-YJBOKZPZSA-N -1 3 353.422 2.593 50 0 FFAAHM CCc1onc(C)c1[N-]C(=O)c1cc(N2CCNC2=O)c(F)cc1F ZINC000089397485 523060196 /nfs/dbraw/zinc/06/01/96/523060196.db2.gz UGUWXGKCCSHTKZ-UHFFFAOYSA-N -1 3 350.325 2.606 50 0 FFAAHM Cc1nc(C2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)cc(=O)[n-]1 ZINC000091643652 526776273 /nfs/dbraw/zinc/77/62/73/526776273.db2.gz ZOAJRFFNLOZBNQ-KRWDZBQOSA-N -1 3 351.450 2.904 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)c3cc(-c4ccsc4)n[nH]3)C2)cc(=O)[n-]1 ZINC000082134587 527074673 /nfs/dbraw/zinc/07/46/73/527074673.db2.gz TWJDMDNCDSKHQH-LBPRGKRZSA-N -1 3 369.450 2.550 50 0 FFAAHM CCc1ccc([N-]S(=O)(=O)c2ccc3c(c2)N(C(C)=O)CCO3)cc1 ZINC000006778671 536190059 /nfs/dbraw/zinc/19/00/59/536190059.db2.gz HLGMZQZIKBDRNT-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM C[C@H]1CCCC[C@@H]1[N-]S(=O)(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000045797082 570911881 /nfs/dbraw/zinc/91/18/81/570911881.db2.gz SQGVEWGOGCQTDK-GWCFXTLKSA-N -1 3 365.904 2.601 50 0 FFAAHM CCc1nc(S(=O)(=O)[N-][C@H](c2nc3cc(C)ccc3[nH]2)C(C)C)c[nH]1 ZINC000670451600 571352543 /nfs/dbraw/zinc/35/25/43/571352543.db2.gz WLXWINUCFBUYAC-INIZCTEOSA-N -1 3 361.471 2.832 50 0 FFAAHM CCc1nc(S(=O)(=O)[N-][C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)c[nH]1 ZINC000670451600 571352544 /nfs/dbraw/zinc/35/25/44/571352544.db2.gz WLXWINUCFBUYAC-INIZCTEOSA-N -1 3 361.471 2.832 50 0 FFAAHM O=C([O-])[C@H]1CC(=O)NC12CCN(Cc1ccc(-c3ccccc3F)o1)CC2 ZINC000095384530 1028568419 /nfs/dbraw/zinc/56/84/19/1028568419.db2.gz FILCYKHSCDEMFG-OAHLLOKOSA-N -1 3 372.396 2.641 50 0 FFAAHM Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2cc(=O)[n-]c(=O)[nH]2)ccc1F ZINC000299760477 223083281 /nfs/dbraw/zinc/08/32/81/223083281.db2.gz SZGXVJBRSHIUPD-BTTYYORXSA-N -1 3 357.385 2.886 50 0 FFAAHM O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ncccc1[O-] ZINC000012769901 220027629 /nfs/dbraw/zinc/02/76/29/220027629.db2.gz LQFCHCFVUYAXHO-UHFFFAOYSA-N -1 3 354.391 2.677 50 0 FFAAHM CC(C)(C)c1ccc(C(=O)[N-]C(=O)CCSc2nnnn2C2CC2)cc1 ZINC000012740136 220023471 /nfs/dbraw/zinc/02/34/71/220023471.db2.gz MYWTVUONHFWHGN-UHFFFAOYSA-N -1 3 373.482 2.744 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2ccc(CC(=O)NC3CC3)cc2)c(C)c1 ZINC000013849887 220098156 /nfs/dbraw/zinc/09/81/56/220098156.db2.gz AZDMFVUKRFGGSE-UHFFFAOYSA-N -1 3 374.462 2.626 50 0 FFAAHM Cc1cc(C)c(NC(=O)C[N-]S(=O)(=O)c2ccc(Cl)nc2)c(C)c1 ZINC000016086705 220177211 /nfs/dbraw/zinc/17/72/11/220177211.db2.gz LZGUVOUQAVKRDP-UHFFFAOYSA-N -1 3 367.858 2.577 50 0 FFAAHM O=c1[n-]c(CN2CCOCC2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000019535558 220268986 /nfs/dbraw/zinc/26/89/86/220268986.db2.gz VURFOUBUXOZEIC-UHFFFAOYSA-N -1 3 351.450 2.637 50 0 FFAAHM Cc1ccccc1N1C(=O)c2ccc(C(=O)[N-]c3nncs3)cc2C1=O ZINC000022704834 220395687 /nfs/dbraw/zinc/39/56/87/220395687.db2.gz CPARJNDCGSORMA-UHFFFAOYSA-N -1 3 364.386 2.899 50 0 FFAAHM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc3c(cc2Cl)OCO3)c1 ZINC000028782362 220583395 /nfs/dbraw/zinc/58/33/95/220583395.db2.gz VABZUPVKORVWDA-UHFFFAOYSA-N -1 3 371.798 2.887 50 0 FFAAHM COC(=O)CCOc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1 ZINC000048332281 221007766 /nfs/dbraw/zinc/00/77/66/221007766.db2.gz OPKYBJBEXLKSQX-UHFFFAOYSA-N -1 3 371.361 2.708 50 0 FFAAHM Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccc3c(c2)OCO3)c([O-])c1 ZINC000058215468 221108658 /nfs/dbraw/zinc/10/86/58/221108658.db2.gz BPJFFGFARPAWCI-HNNXBMFYSA-N -1 3 368.389 2.673 50 0 FFAAHM Cc1nc(C(=O)[N-]c2c3ccccc3oc2C(=O)N2CCOCC2)cs1 ZINC000058225029 221109602 /nfs/dbraw/zinc/10/96/02/221109602.db2.gz QCFFGBOUEBJYJE-UHFFFAOYSA-N -1 3 371.418 2.922 50 0 FFAAHM Cc1cc2nc(SCC(=O)Nc3cc(F)ccc3F)[n-]c(=O)c2[nH]1 ZINC000057521017 221090938 /nfs/dbraw/zinc/09/09/38/221090938.db2.gz CLQUXGVVYYIAHP-UHFFFAOYSA-N -1 3 350.350 2.569 50 0 FFAAHM O=C(C[C@](O)(c1nc2ccccc2o1)C(F)(F)F)Nc1ncccc1[O-] ZINC000058306512 221113197 /nfs/dbraw/zinc/11/31/97/221113197.db2.gz MSCJKNOXMJPLPG-HNNXBMFYSA-N -1 3 367.283 2.707 50 0 FFAAHM Cn1cnc(S(=O)(=O)[N-]CCC(c2ccccc2)c2ccccc2)c1 ZINC000058438837 221119627 /nfs/dbraw/zinc/11/96/27/221119627.db2.gz ZZOIDRUUDVZLKM-UHFFFAOYSA-N -1 3 355.463 2.921 50 0 FFAAHM Cn1nc(-c2csc(S(=O)(=O)[N-]C3CCCCCC3)c2)ccc1=O ZINC000065119438 221170906 /nfs/dbraw/zinc/17/09/06/221170906.db2.gz KVLABUOCISXBCU-UHFFFAOYSA-N -1 3 367.496 2.510 50 0 FFAAHM CC(C)(C)OC(=O)N[C@@H]1CCN(c2nc(-c3ccccc3)cc(=O)[n-]2)C1 ZINC000067172883 221248779 /nfs/dbraw/zinc/24/87/79/221248779.db2.gz RNKMXZABEILKJM-CQSZACIVSA-N -1 3 356.426 2.540 50 0 FFAAHM Cc1ccsc1[C@@H]1CCN(C(=O)c2cc(=O)c3ccccc3[n-]2)C[C@H]1O ZINC000067804738 221288042 /nfs/dbraw/zinc/28/80/42/221288042.db2.gz OFMJUPMCMWQPRS-RDTXWAMCSA-N -1 3 368.458 2.889 50 0 FFAAHM COc1cc(CN2C[C@@H]3CC=CC[C@@H]3C2)cc(OC)c1O[C@H](C)C(=O)[O-] ZINC000071753662 221364208 /nfs/dbraw/zinc/36/42/08/221364208.db2.gz UNXQXSNWICUBRC-BMFZPTHFSA-N -1 3 361.438 2.954 50 0 FFAAHM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCN1CC[C@@H](c2ccccc2C)C1 ZINC000299784895 533609409 /nfs/dbraw/zinc/60/94/09/533609409.db2.gz ICISIRFEYKPYIA-MRXNPFEDSA-N -1 3 369.465 2.857 50 0 FFAAHM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)N1CCSc2ccccc21 ZINC000294276509 132305718 /nfs/dbraw/zinc/30/57/18/132305718.db2.gz SQTHSLBUFZWVEO-YCPHGPKFSA-N -1 3 360.479 2.843 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc[nH]c2=O)S1 ZINC000096117544 222032785 /nfs/dbraw/zinc/03/27/85/222032785.db2.gz WFQJFAIAJOSTPR-FZMZJTMJSA-N -1 3 374.466 2.881 50 0 FFAAHM CCN(C[C@H](O)c1cccc(O)c1)C(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000097570899 222192563 /nfs/dbraw/zinc/19/25/63/222192563.db2.gz LXCRAFOBMYFGKM-KRWDZBQOSA-N -1 3 370.380 2.569 50 0 FFAAHM COC[C@@](C)(C[N-]S(=O)(=O)c1cc(C)c(Cl)cc1Cl)OC ZINC000575613249 518235992 /nfs/dbraw/zinc/23/59/92/518235992.db2.gz QMZBOYVUJVWWPE-CYBMUJFWSA-N -1 3 356.271 2.632 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc(OCC(=O)N3CCCC3)cc2)cc1 ZINC000002884766 506300202 /nfs/dbraw/zinc/30/02/02/506300202.db2.gz MRCIJXYEKKJCSR-UHFFFAOYSA-N -1 3 374.462 2.797 50 0 FFAAHM CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(Cl)cc2[O-])c1 ZINC000003360343 506324130 /nfs/dbraw/zinc/32/41/30/506324130.db2.gz CYJACYFYIVEPPK-UHFFFAOYSA-N -1 3 369.826 2.653 50 0 FFAAHM COc1ccc(-c2csc([N-]C(=O)c3nc4nccc(C)n4n3)n2)cc1 ZINC000003355714 506324171 /nfs/dbraw/zinc/32/41/71/506324171.db2.gz FYLITARSDWXMCY-UHFFFAOYSA-N -1 3 366.406 2.817 50 0 FFAAHM O=S(=O)([N-]c1ccc(Cn2cncn2)cc1)c1ccc2c(c1)CCC2 ZINC000033307504 506354495 /nfs/dbraw/zinc/35/44/95/506354495.db2.gz VECDIGFPVJIEGN-UHFFFAOYSA-N -1 3 354.435 2.616 50 0 FFAAHM c1ccc(-n2nc(-c3n[n-]c(-c4cccnc4)n3)c(N3CCCC3)n2)cc1 ZINC000033435933 506357940 /nfs/dbraw/zinc/35/79/40/506357940.db2.gz USADZGPGXPVMDH-UHFFFAOYSA-N -1 3 358.409 2.715 50 0 FFAAHM Cc1ccccc1NC(=O)CSc1nnc2[n-]c(=O)c(C(C)(C)C)nn21 ZINC000004251427 506365938 /nfs/dbraw/zinc/36/59/38/506365938.db2.gz BSKOJIPDJJVCPE-UHFFFAOYSA-N -1 3 372.454 2.562 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)[C@@H]3C)cc1 ZINC000004270438 506367881 /nfs/dbraw/zinc/36/78/81/506367881.db2.gz OIXJNOWBZRLPPK-GFCCVEGCSA-N -1 3 372.446 2.892 50 0 FFAAHM CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)[N-]c1ccccc1F ZINC000035378144 506382094 /nfs/dbraw/zinc/38/20/94/506382094.db2.gz ZDTHJOZMIMEMAA-UHFFFAOYSA-N -1 3 373.409 2.939 50 0 FFAAHM COc1cccc(C(=O)N2NC(c3ccccn3)=C[C@]2([O-])C(F)(F)F)c1 ZINC000004899216 506404341 /nfs/dbraw/zinc/40/43/41/506404341.db2.gz VZYUXTBFDKBXIW-INIZCTEOSA-N -1 3 365.311 2.591 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1N1CCCC1=O ZINC000005329659 506437877 /nfs/dbraw/zinc/43/78/77/506437877.db2.gz JYPDIXPBTLTUHE-UHFFFAOYSA-N -1 3 364.398 2.762 50 0 FFAAHM CCCCS(=O)(=O)c1ccccc1C(=O)[N-]c1nnc(COC)s1 ZINC000039404111 506450655 /nfs/dbraw/zinc/45/06/55/506450655.db2.gz YMOMEVHNMSWRIU-UHFFFAOYSA-N -1 3 369.468 2.511 50 0 FFAAHM CCOC(=O)[C@@H](CC)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000006004955 506464675 /nfs/dbraw/zinc/46/46/75/506464675.db2.gz UDVVPGOVOIYGPQ-CQSZACIVSA-N -1 3 372.450 2.851 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCN(CCSc2ccccc2)CC1 ZINC000040139421 506472703 /nfs/dbraw/zinc/47/27/03/506472703.db2.gz WTSGEMNJDOJXGA-UHFFFAOYSA-N -1 3 367.478 2.508 50 0 FFAAHM COc1cc(C(=O)N2NC(C)=C[C@]2([O-])C(F)(F)F)ccc1OC(F)F ZINC000006395108 506481150 /nfs/dbraw/zinc/48/11/50/506481150.db2.gz WZPBSOUQSPOJFH-ZDUSSCGKSA-N -1 3 368.258 2.769 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@H]1CCCc2ccccc21 ZINC000006839900 506512474 /nfs/dbraw/zinc/51/24/74/506512474.db2.gz KYULRCHDLIUKKC-HNNXBMFYSA-N -1 3 364.492 2.610 50 0 FFAAHM CC(C)[C@@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccccc1F ZINC000009528430 506701835 /nfs/dbraw/zinc/70/18/35/506701835.db2.gz CIEQBPJDNDMSJD-OAHLLOKOSA-N -1 3 370.471 2.507 50 0 FFAAHM CNC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cc(C)cc2C)ccc1OC ZINC000010008816 506721587 /nfs/dbraw/zinc/72/15/87/506721587.db2.gz ZYVPZAZECASJNI-UHFFFAOYSA-N -1 3 362.451 2.781 50 0 FFAAHM CCCN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1[nH]nc2ccccc21 ZINC000012507360 506870670 /nfs/dbraw/zinc/87/06/70/506870670.db2.gz CNXFEYFIIXRDAZ-UHFFFAOYSA-N -1 3 367.434 2.913 50 0 FFAAHM O=C(CCCCC[N-]S(=O)(=O)c1ccc(F)c(F)c1)NC1CCCC1 ZINC000014795970 507001339 /nfs/dbraw/zinc/00/13/39/507001339.db2.gz XKCYFPKKFQVNTM-UHFFFAOYSA-N -1 3 374.453 2.862 50 0 FFAAHM O=C(NCCNC(=O)c1cc(F)c(Cl)cc1Cl)c1ccc([O-])cc1 ZINC000047552663 507357398 /nfs/dbraw/zinc/35/73/98/507357398.db2.gz CPJPBQXSJXWVBN-UHFFFAOYSA-N -1 3 371.195 2.998 50 0 FFAAHM Cc1ccc(C(=O)[N-]N2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1F ZINC000023949164 507379647 /nfs/dbraw/zinc/37/96/47/507379647.db2.gz FZHRWFSSKYYIBS-HXUWFJFHSA-N -1 3 369.396 2.722 50 0 FFAAHM Cc1ccc(C(=O)[N-]N2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1F ZINC000023949161 507379725 /nfs/dbraw/zinc/37/97/25/507379725.db2.gz FZHRWFSSKYYIBS-FQEVSTJZSA-N -1 3 369.396 2.722 50 0 FFAAHM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)cc2)cc1 ZINC000024577504 507420894 /nfs/dbraw/zinc/42/08/94/507420894.db2.gz HQPOOGBNFFXKHF-UHFFFAOYSA-N -1 3 356.407 2.632 50 0 FFAAHM CO[C@@H]1c2ccccc2C2(CCN(Cc3ccccc3C(=O)[O-])CC2)[C@H]1O ZINC000072152138 507761984 /nfs/dbraw/zinc/76/19/84/507761984.db2.gz PJLZWGQIEAUBGJ-UXHICEINSA-N -1 3 367.445 2.981 50 0 FFAAHM CCCn1c(=O)[n-]c(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)cnc21 ZINC000029512542 507781130 /nfs/dbraw/zinc/78/11/30/507781130.db2.gz BLTOJDHAJIHOBM-UHFFFAOYSA-N -1 3 372.812 2.709 50 0 FFAAHM O=C([O-])C1(n2ccc(-c3ccco3)n2)CCN(Cc2ccccn2)CC1 ZINC000072447449 507793364 /nfs/dbraw/zinc/79/33/64/507793364.db2.gz ADHCKSQHXAOVSI-UHFFFAOYSA-N -1 3 352.394 2.614 50 0 FFAAHM Cc1nccn1C1(C(=O)[O-])CCN(Cc2ccc3ccccc3n2)CC1 ZINC000072477161 507796325 /nfs/dbraw/zinc/79/63/25/507796325.db2.gz YBZDVAOSGLOVIH-UHFFFAOYSA-N -1 3 350.422 2.816 50 0 FFAAHM COc1ccccc1[C@@H]1CN(Cc2cn3cc(C)ccc3n2)C[C@H]1C(=O)[O-] ZINC000091907422 508023861 /nfs/dbraw/zinc/02/38/61/508023861.db2.gz BRQNRZWZHAJYIV-ZWKOTPCHSA-N -1 3 365.433 2.952 50 0 FFAAHM Cc1cc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)ccc1F ZINC000092038739 508035719 /nfs/dbraw/zinc/03/57/19/508035719.db2.gz FBWWZWPSOWHLQP-OAHLLOKOSA-N -1 3 362.445 2.812 50 0 FFAAHM Cc1ccc(-c2ccccc2CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])o1 ZINC000095372414 508178839 /nfs/dbraw/zinc/17/88/39/508178839.db2.gz LFWRFUQRAMXQPZ-QGZVFWFLSA-N -1 3 368.433 2.810 50 0 FFAAHM Cc1ccc([C@H](C(=O)[O-])N2CCC(C(=O)N3CCCCC3)CC2)c(F)c1 ZINC000095377029 508180050 /nfs/dbraw/zinc/18/00/50/508180050.db2.gz IIEGSEXFNOJZGG-GOSISDBHSA-N -1 3 362.445 2.984 50 0 FFAAHM Cc1n[nH]c(C)c1[C@H](NC(=O)c1ccc(CN2CCCCC2)cc1)C(=O)[O-] ZINC000095380092 508180510 /nfs/dbraw/zinc/18/05/10/508180510.db2.gz AFNOQBODOPDOJZ-SFHVURJKSA-N -1 3 370.453 2.568 50 0 FFAAHM Cc1ccc([C@@H](C(=O)[O-])N2CCC(CCN3CCCC3=O)CC2)c(F)c1 ZINC000095383849 508182213 /nfs/dbraw/zinc/18/22/13/508182213.db2.gz DMXYWGPHVHYWPV-IBGZPJMESA-N -1 3 362.445 2.984 50 0 FFAAHM CN(CC1CCN(Cc2ccccc2)CC1)C(=O)CCc1cc(=O)[n-]o1 ZINC000077298161 508297147 /nfs/dbraw/zinc/29/71/47/508297147.db2.gz QINYCXJVUNXCNE-UHFFFAOYSA-N -1 3 357.454 2.683 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]Cc1ccc(C(=O)c2ccco2)s1 ZINC000211082298 509239905 /nfs/dbraw/zinc/23/99/05/509239905.db2.gz BAIWSPOUAXVILP-UHFFFAOYSA-N -1 3 366.420 2.655 50 0 FFAAHM C[C@@H](Oc1ccc(CN2CCC(c3nc[nH]n3)CC2)cc1Cl)C(=O)[O-] ZINC000215230486 509247187 /nfs/dbraw/zinc/24/71/87/509247187.db2.gz MDUNHTSBLXLEDA-LLVKDONJSA-N -1 3 364.833 2.690 50 0 FFAAHM Cc1cccc([C@H](NC(=O)C2(c3ccccc3)CCN(C)CC2)C(=O)[O-])c1 ZINC000220735446 509303465 /nfs/dbraw/zinc/30/34/65/509303465.db2.gz IILDEFXQODNYIC-IBGZPJMESA-N -1 3 366.461 2.901 50 0 FFAAHM CO[C@H](C[N-]S(=O)(=O)c1c(C)noc1C)c1ccc(Cl)s1 ZINC000225705671 509383495 /nfs/dbraw/zinc/38/34/95/509383495.db2.gz LDEYXRDVWAYBOJ-SECBINFHSA-N -1 3 350.849 2.672 50 0 FFAAHM Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCc2nc(C)[n-]c(=O)c2CC1 ZINC000426370168 513917422 /nfs/dbraw/zinc/91/74/22/513917422.db2.gz VGKPPAGRIGSAGQ-UHFFFAOYSA-N -1 3 368.412 2.589 50 0 FFAAHM C[C@@H](C(=O)[N-]c1cc(-c2cccs2)no1)n1nc2c(cc1=O)CCC2 ZINC000585150157 518547206 /nfs/dbraw/zinc/54/72/06/518547206.db2.gz DPIWLTXLKOGMCF-JTQLQIEISA-N -1 3 356.407 2.648 50 0 FFAAHM CC(C)n1[n-]ccc1=NC(=O)[C@H](C)Sc1nncn1-c1ccccc1 ZINC000606346372 521032396 /nfs/dbraw/zinc/03/23/96/521032396.db2.gz JTYLEVVEJZUMBL-ZDUSSCGKSA-N -1 3 356.455 2.586 50 0 FFAAHM COc1cc(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)ccc1[O-] ZINC000091625653 522072334 /nfs/dbraw/zinc/07/23/34/522072334.db2.gz ZFGCZMMDXZEPQU-UHFFFAOYSA-N -1 3 372.465 2.656 50 0 FFAAHM Cc1nc([C@@H]2CCCN(C(=O)c3ccc(OC(C)C)cc3)C2)cc(=O)[n-]1 ZINC000082098953 527044793 /nfs/dbraw/zinc/04/47/93/527044793.db2.gz GDWXDRHSOBKNAZ-MRXNPFEDSA-N -1 3 355.438 2.885 50 0 FFAAHM Cc1nc([C@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)cc(=O)[n-]1 ZINC000072145176 571173107 /nfs/dbraw/zinc/17/31/07/571173107.db2.gz AYOXAAMQFPZDCS-LBPRGKRZSA-N -1 3 361.829 2.840 50 0 FFAAHM CC(C)(C)c1cc(C(=O)NCc2noc(-c3cccs3)n2)[n-]c(=O)n1 ZINC000670452470 571352730 /nfs/dbraw/zinc/35/27/30/571352730.db2.gz WBFVVLMXAHWDML-UHFFFAOYSA-N -1 3 359.411 2.521 50 0 FFAAHM CN(C)Cc1cc([N-]S(=O)(=O)c2ccc(N(C)C)nc2)ccc1Cl ZINC000585085128 729982353 /nfs/dbraw/zinc/98/23/53/729982353.db2.gz GRYTYWPSCZZAMG-UHFFFAOYSA-N -1 3 368.890 2.663 50 0 FFAAHM Cc1ccc(C)c([C@@H](C(=O)[O-])N2CCCN(C(=O)c3ccco3)CC2)c1 ZINC001506406780 1059497904 /nfs/dbraw/zinc/49/79/04/1059497904.db2.gz JELKAFXFHSMKKS-SFHVURJKSA-N -1 3 356.422 2.870 50 0 FFAAHM COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2[O-])cc1OC ZINC000000754518 219318449 /nfs/dbraw/zinc/31/84/49/219318449.db2.gz IRQSIVDTWQSFKY-CSKARUKUSA-N -1 3 358.419 2.936 50 0 FFAAHM CCC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CCc2ccc3c(c2)OCO3)N1 ZINC000000814217 219324883 /nfs/dbraw/zinc/32/48/83/219324883.db2.gz MOMQEOJTYQKCKA-OAHLLOKOSA-N -1 3 358.316 2.597 50 0 FFAAHM O=C(CSc1nnnn1-c1ccccc1)Nc1ccc(Cl)cc1[O-] ZINC000001064155 219361704 /nfs/dbraw/zinc/36/17/04/219361704.db2.gz SSFHIUBNJMCBMJ-UHFFFAOYSA-N -1 3 361.814 2.752 50 0 FFAAHM C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]C2CC2)c1)c1ccco1 ZINC000008314768 219859195 /nfs/dbraw/zinc/85/91/95/219859195.db2.gz FPUPCXDZKNZRBA-SNVBAGLBSA-N -1 3 368.842 2.865 50 0 FFAAHM COc1cc([C@@H]2CC(=O)c3c(O)c(OC)c([O-])cc3O2)cc(O)c1OC ZINC000014436421 220124602 /nfs/dbraw/zinc/12/46/02/220124602.db2.gz HMTSHCGCQPCGLA-LBPRGKRZSA-N -1 3 362.334 2.536 50 0 biogenic FFAAHM COc1ccccc1C1(C[N-]S(=O)(=O)c2cccs2)CCOCC1 ZINC000016972937 220199275 /nfs/dbraw/zinc/19/92/75/220199275.db2.gz RZUQDJUGLAVFLE-UHFFFAOYSA-N -1 3 367.492 2.783 50 0 FFAAHM CCc1cccc(C)c1NC(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000018114338 220223564 /nfs/dbraw/zinc/22/35/64/220223564.db2.gz MALLDXJVEHNLPA-UHFFFAOYSA-N -1 3 351.406 2.589 50 0 FFAAHM CC[C@@H]1[C@H]2C(=O)N(c3ccc(OC)cc3)C([O-])=C2ON1c1ccccc1 ZINC000019941831 220306820 /nfs/dbraw/zinc/30/68/20/220306820.db2.gz AJCJNWXPVDJBKE-KURKYZTESA-N -1 3 352.390 2.784 50 0 FFAAHM CCn1c([O-])c(C(=O)C[C@@H]2NCCc3ccccc32)c(=O)n(CC)c1=S ZINC000020227692 220319968 /nfs/dbraw/zinc/31/99/68/220319968.db2.gz ZMBLEUBXFDKDAL-AWEZNQCLSA-N -1 3 373.478 2.584 50 0 FFAAHM C[C@@]1(c2cccc(NC(=O)c3ccc4ccccc4n3)c2)NC(=O)[N-]C1=O ZINC000040110861 220881689 /nfs/dbraw/zinc/88/16/89/220881689.db2.gz CFFCOXHMWSPDBO-FQEVSTJZSA-N -1 3 360.373 2.542 50 0 FFAAHM COc1cccc([C@@H](C[N-]S(=O)(=O)c2cc(F)cc(F)c2)N(C)C)c1 ZINC000048313039 221006811 /nfs/dbraw/zinc/00/68/11/221006811.db2.gz OZLDIBIAXJQBIM-QGZVFWFLSA-N -1 3 370.421 2.555 50 0 FFAAHM Nc1nccnc1C(=O)[N-]c1nnc(SCc2cccs2)s1 ZINC000050004803 221029968 /nfs/dbraw/zinc/02/99/68/221029968.db2.gz RMOUEORDLKDNGD-UHFFFAOYSA-N -1 3 350.454 2.516 50 0 FFAAHM Cc1ccc([C@@H](O)C[N-]S(=O)(=O)c2cc(Cl)ccc2Cl)o1 ZINC000049026880 221016711 /nfs/dbraw/zinc/01/67/11/221016711.db2.gz KPEHSXZEWSDNCE-NSHDSACASA-N -1 3 350.223 2.907 50 0 FFAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCO2)c1ccc(-c2ccno2)s1 ZINC000065031088 221165168 /nfs/dbraw/zinc/16/51/68/221165168.db2.gz AYIUOXCLVOPGFM-UHFFFAOYSA-N -1 3 364.404 2.610 50 0 FFAAHM O=C(c1cc(Br)cc([N-]S(=O)(=O)C2CC2)c1)N1CCCC1 ZINC000279074308 256378929 /nfs/dbraw/zinc/37/89/29/256378929.db2.gz KQVXSCNAUGANHL-UHFFFAOYSA-N -1 3 373.272 2.589 50 0 FFAAHM Cc1ncc(C(=O)N2CCC[C@H](CCc3ccc(F)c(F)c3)C2)c(=O)[n-]1 ZINC000071614039 221351579 /nfs/dbraw/zinc/35/15/79/221351579.db2.gz QEFJMUPACIGMAY-CQSZACIVSA-N -1 3 361.392 2.842 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1nc1[nH]c(=O)n(C)c1c2-c1ccc(F)cc1F ZINC000079492175 221693127 /nfs/dbraw/zinc/69/31/27/221693127.db2.gz UPXDWCFFVVZFLU-UHFFFAOYSA-N -1 3 359.336 2.843 50 0 FFAAHM COc1ccc([C@@H](C(=O)[O-])N2CCC(O)(c3ccccc3)CC2)cc1F ZINC000095377922 221882215 /nfs/dbraw/zinc/88/22/15/221882215.db2.gz SICSNNFCMMBXJM-SFHVURJKSA-N -1 3 359.397 2.944 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccnn2C)S1 ZINC000096116928 222032741 /nfs/dbraw/zinc/03/27/41/222032741.db2.gz MWQUDSWGKJPMOG-BXUZGUMPSA-N -1 3 361.471 2.926 50 0 FFAAHM C[C@]1(CO)CCCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])C1 ZINC000097660297 222204384 /nfs/dbraw/zinc/20/43/84/222204384.db2.gz BJNOLEFKXOZTND-NRFANRHFSA-N -1 3 370.449 2.806 50 0 FFAAHM O=C1[C@H]2C(c3cccnc3)=NOC2=C([O-])N1c1cc(Cl)cc(Cl)c1 ZINC000101358864 222271890 /nfs/dbraw/zinc/27/18/90/222271890.db2.gz SPMGQJALCBNZAT-GXTWGEPZSA-N -1 3 362.172 2.681 50 0 FFAAHM COc1ccc([C@@H]2c3c([nH]c(=O)[n-]c3=O)N=C3c4ccccc4C(=O)C32)cc1 ZINC000102650192 222302350 /nfs/dbraw/zinc/30/23/50/222302350.db2.gz XPXJZIGBKCJCBN-AWEZNQCLSA-N -1 3 373.368 2.621 50 0 FFAAHM COc1ccc(-c2cc(C[N-]S(=O)(=O)c3ccc(F)cc3)on2)cc1 ZINC000001393804 506259930 /nfs/dbraw/zinc/25/99/30/506259930.db2.gz LVBNGQVAWCMHCJ-UHFFFAOYSA-N -1 3 362.382 2.968 50 0 FFAAHM COC(=O)[C@]([N-]c1ccc(F)cc1)(NC(=O)OC(C)C)C(F)(F)F ZINC000002342750 506278081 /nfs/dbraw/zinc/27/80/81/506278081.db2.gz SCOAIVSIXCHTTG-ZDUSSCGKSA-N -1 3 352.284 2.804 50 0 FFAAHM O=C(Nc1ccccn1)c1c([O-])c2c(n(Cc3ccco3)c1=O)CCCC2 ZINC000002337429 506278213 /nfs/dbraw/zinc/27/82/13/506278213.db2.gz XEXXCMWJVKPUGK-UHFFFAOYSA-N -1 3 365.389 2.721 50 0 FFAAHM CCOC(=O)c1c(C)n(C)c2cc3c(cc21)OC(=O)[C@]3([O-])C(F)(F)Cl ZINC000002503991 506281880 /nfs/dbraw/zinc/28/18/80/506281880.db2.gz JEDWIUNTCJFMRL-HNNXBMFYSA-N -1 3 373.739 2.602 50 0 FFAAHM O=C(COC(=O)c1ccc([O-])cc1O)c1ccc(Br)cc1 ZINC000003528983 506339162 /nfs/dbraw/zinc/33/91/62/506339162.db2.gz DBGLTUVTIAQALM-UHFFFAOYSA-N -1 3 351.152 2.900 50 0 FFAAHM CC(=O)c1[n-]n(-c2cccc(Cl)c2)c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000004334974 506373661 /nfs/dbraw/zinc/37/36/61/506373661.db2.gz SWLLRBKZGOIQEH-RDJZCZTQSA-N -1 3 367.792 2.663 50 0 FFAAHM CCc1ccc(NC2=N[C@H](C(=O)Nc3ccc(OC)cc3)C=C([O-])N2)cc1 ZINC000005695246 506454602 /nfs/dbraw/zinc/45/46/02/506454602.db2.gz MYRWBOBEALHJCG-KRWDZBQOSA-N -1 3 366.421 2.553 50 0 FFAAHM C[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(N(C)C)cc2)ccc1Cl ZINC000006787803 506507677 /nfs/dbraw/zinc/50/76/77/506507677.db2.gz OTANAKDSVRRCMU-UHFFFAOYSA-N -1 3 367.858 2.566 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1NC(C)=O ZINC000006905506 506515759 /nfs/dbraw/zinc/51/57/59/506515759.db2.gz CWJAUKKOACLNTG-UHFFFAOYSA-N -1 3 356.350 2.733 50 0 FFAAHM CCn1c(SCC(=O)[N-]C2=NCCS2)nnc1-c1cccc(C)c1 ZINC000009263881 506687482 /nfs/dbraw/zinc/68/74/82/506687482.db2.gz DMRMYHYXMNXJLQ-UHFFFAOYSA-N -1 3 361.496 2.585 50 0 FFAAHM CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(C)cc1[O-])C2=O ZINC000009449876 506697116 /nfs/dbraw/zinc/69/71/16/506697116.db2.gz GVWJPKVWRYZICO-UHFFFAOYSA-N -1 3 359.426 2.530 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1C ZINC000009828172 506712817 /nfs/dbraw/zinc/71/28/17/506712817.db2.gz VBYBOTJIRCUPLD-UHFFFAOYSA-N -1 3 360.435 2.569 50 0 FFAAHM Cn1c(SCc2ccc(Br)cc2F)nc2c1nc[n-]c2=O ZINC000012427873 506862291 /nfs/dbraw/zinc/86/22/91/506862291.db2.gz ZSHVWDWUURRQHO-UHFFFAOYSA-N -1 3 369.219 2.851 50 0 FFAAHM CCOc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)cc1 ZINC000017308129 507120706 /nfs/dbraw/zinc/12/07/06/507120706.db2.gz NCDDVAZJDWUSTQ-UHFFFAOYSA-N -1 3 360.435 2.795 50 0 FFAAHM O=S(=O)([N-]Cc1ccc2c(c1)OCCO2)c1ccccc1C(F)(F)F ZINC000023863995 507376186 /nfs/dbraw/zinc/37/61/86/507376186.db2.gz KZKMKQQASHVDHJ-UHFFFAOYSA-N -1 3 373.352 2.955 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C(C)(C)c2ccccc2)s1 ZINC000058209069 507385759 /nfs/dbraw/zinc/38/57/59/507385759.db2.gz HQWFJRWXLXIKGF-UHFFFAOYSA-N -1 3 352.481 2.598 50 0 FFAAHM O=c1[n-]c(C2CCN(Cc3ccccc3OCC(F)(F)F)CC2)n[nH]1 ZINC000377581049 512337241 /nfs/dbraw/zinc/33/72/41/512337241.db2.gz DUCWKQYVOUDVEE-UHFFFAOYSA-N -1 3 356.348 2.831 50 0 FFAAHM COc1ccccc1-c1n[n-]c(NC(=O)CCn2ccc3ccccc32)n1 ZINC000048011884 507434204 /nfs/dbraw/zinc/43/42/04/507434204.db2.gz QFRCOGODKURJBT-UHFFFAOYSA-N -1 3 361.405 2.886 50 0 FFAAHM Cc1ccc(CN2CCC3(C[C@@H](C(=O)[O-])N(C(=O)C4CC4)C3)CC2)cc1F ZINC000072411566 507785551 /nfs/dbraw/zinc/78/55/51/507785551.db2.gz UFHTWRRHBPWGSD-SFHVURJKSA-N -1 3 374.456 2.812 50 0 FFAAHM COC(=O)c1ccc(OCC(=O)[N-]c2cc(C(C)(C)C)no2)c(OC)c1 ZINC000031701252 507821152 /nfs/dbraw/zinc/82/11/52/507821152.db2.gz AYYAYGVPMJJEGF-UHFFFAOYSA-N -1 3 362.382 2.785 50 0 FFAAHM COC(=O)c1cccc2nc(NC(=O)c3cnc(Cl)c(Cl)c3)[n-]c21 ZINC000089406980 507836067 /nfs/dbraw/zinc/83/60/67/507836067.db2.gz GXJQFMSNXBJBFV-UHFFFAOYSA-N -1 3 365.176 2.726 50 0 FFAAHM COC(=O)c1cccc2[n-]c(NC(=O)c3cnc(Cl)c(Cl)c3)nc21 ZINC000089406980 507836070 /nfs/dbraw/zinc/83/60/70/507836070.db2.gz GXJQFMSNXBJBFV-UHFFFAOYSA-N -1 3 365.176 2.726 50 0 FFAAHM O=C([O-])CC[C@@H]1CN(Cc2ccc3occc3c2)CC[C@@H]1N1CCOCC1 ZINC000091551739 507992262 /nfs/dbraw/zinc/99/22/62/507992262.db2.gz FTQJHCSUOBZSFH-MOPGFXCFSA-N -1 3 372.465 2.820 50 0 FFAAHM O=S(=O)(Cc1ccccc1Cl)[N-]C[C@@](O)(c1ccco1)C1CC1 ZINC000075154960 508086254 /nfs/dbraw/zinc/08/62/54/508086254.db2.gz QKEMNKZMDFIZNU-INIZCTEOSA-N -1 3 355.843 2.650 50 0 FFAAHM Cc1nc[nH]c1CN1C[C@H]2CC[C@H](CN2C(=O)c2ccc(Cl)cc2[O-])C1 ZINC000095374153 508179281 /nfs/dbraw/zinc/17/92/81/508179281.db2.gz MPCZYRTUIFPMBK-DZGCQCFKSA-N -1 3 374.872 2.814 50 0 FFAAHM CN1C(=O)C[C@@H](C(=O)[O-])C12CCN(Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000095384462 508182294 /nfs/dbraw/zinc/18/22/94/508182294.db2.gz VOZGKLMMWZAOGE-AWEZNQCLSA-N -1 3 370.371 2.603 50 0 FFAAHM COC(=O)C[C@H](c1cccc(OC(F)F)c1)c1oc(C)cc(=O)c1[O-] ZINC000095479972 508189053 /nfs/dbraw/zinc/18/90/53/508189053.db2.gz YABGSCSQOCKGNA-GFCCVEGCSA-N -1 3 354.305 2.950 50 0 FFAAHM O=C(Cc1cccs1)N1CCc2c(=O)[n-]c(-c3ccc(F)cc3)nc2C1 ZINC000097125773 508219598 /nfs/dbraw/zinc/21/95/98/508219598.db2.gz SELLHPJNBJXXCU-UHFFFAOYSA-N -1 3 369.421 2.765 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1csc(-c3cccs3)n1)CC2 ZINC000082138749 508226963 /nfs/dbraw/zinc/22/69/63/508226963.db2.gz HZJKGSDUFPBZJI-UHFFFAOYSA-N -1 3 372.475 2.504 50 0 FFAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N1CCCC[C@H]1CCn1cccn1 ZINC000077318869 508300084 /nfs/dbraw/zinc/30/00/84/508300084.db2.gz AJBBRMMMVWPUAU-HNNXBMFYSA-N -1 3 350.422 2.810 50 0 FFAAHM C[C@H](Oc1ccc(CN2CCCN(Cc3ccncc3)CC2)cc1)C(=O)[O-] ZINC000215301255 509246924 /nfs/dbraw/zinc/24/69/24/509246924.db2.gz GKYBFZLBDKNKLB-KRWDZBQOSA-N -1 3 369.465 2.641 50 0 FFAAHM CCc1nc(C)c(CC(=O)N2CC[C@@H](c3ccccc3Cl)C2)c(=O)[n-]1 ZINC000219404824 509287648 /nfs/dbraw/zinc/28/76/48/509287648.db2.gz CYLIYJOSFJKEJS-CYBMUJFWSA-N -1 3 359.857 2.853 50 0 FFAAHM Cc1csc(S(=O)(=O)[N-][C@@H]2CCOC[C@H]2OCc2ccccc2)c1 ZINC000219694311 509289215 /nfs/dbraw/zinc/28/92/15/509289215.db2.gz ZTFDGSHIWDTMHB-HZPDHXFCSA-N -1 3 367.492 2.709 50 0 FFAAHM Cc1csc2nc(-c3cc(Br)c(C)n(C)c3=O)[n-]c(=O)c12 ZINC000170596412 509674535 /nfs/dbraw/zinc/67/45/35/509674535.db2.gz HLGWLGQYEYTMPK-UHFFFAOYSA-N -1 3 366.240 2.730 50 0 FFAAHM O=c1cc([C@H]2CCCN(Cc3nnc(-c4cccc(F)c4)o3)C2)nc[n-]1 ZINC000241081929 509843777 /nfs/dbraw/zinc/84/37/77/509843777.db2.gz YSQHSJWKZUJALZ-ZDUSSCGKSA-N -1 3 355.373 2.751 50 0 FFAAHM COc1ccccc1[C@@H]1CCCN1CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000244866571 509872976 /nfs/dbraw/zinc/87/29/76/509872976.db2.gz VYMFTERATXILEU-KRWDZBQOSA-N -1 3 360.454 2.545 50 0 FFAAHM CO[C@@H](C[N-]S(=O)(=O)CCC(F)(F)F)c1cc2ccccc2o1 ZINC000244975079 509877470 /nfs/dbraw/zinc/87/74/70/509877470.db2.gz IAOZNOPNVLAYND-ZDUSSCGKSA-N -1 3 351.346 2.992 50 0 FFAAHM Cc1nc(C)c(C)c(N[C@H]2C[C@@H](c3cc(=O)[n-]c(N4CCCC4)n3)C2)n1 ZINC000253534797 509886243 /nfs/dbraw/zinc/88/62/43/509886243.db2.gz DNKJVCVRUZPKLR-GASCZTMLSA-N -1 3 354.458 2.856 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)c1ccc([C@H]3CCCO3)s1)CC2 ZINC000426500362 513960489 /nfs/dbraw/zinc/96/04/89/513960489.db2.gz XJIZKFVCEJQDPY-CQSZACIVSA-N -1 3 359.451 2.645 50 0 FFAAHM CC(C)(C)OC(=O)N1CCN([C@H](Cc2ccc(Cl)cc2)C(=O)[O-])CC1 ZINC000526056010 517318375 /nfs/dbraw/zinc/31/83/75/517318375.db2.gz TVCKYHKNEULKGU-OAHLLOKOSA-N -1 3 368.861 2.888 50 0 FFAAHM Cc1ccc(-c2cc(C[N-]S(=O)(=O)c3ccnn3C(C)C)no2)cc1 ZINC000534652330 517982130 /nfs/dbraw/zinc/98/21/30/517982130.db2.gz YPIBQZXEVNYODU-UHFFFAOYSA-N -1 3 360.439 2.906 50 0 FFAAHM CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2cc(=O)[n-]cn2)cc1 ZINC000584885464 518522529 /nfs/dbraw/zinc/52/25/29/518522529.db2.gz FCXMSLWISDZBNR-QGZVFWFLSA-N -1 3 365.437 2.890 50 0 FFAAHM O=S(=O)([N-]CCn1cc(-c2cccnc2)cn1)c1ccc(Cl)s1 ZINC000585148390 518547171 /nfs/dbraw/zinc/54/71/71/518547171.db2.gz SYINPOVHOHXZGG-UHFFFAOYSA-N -1 3 368.871 2.639 50 0 FFAAHM COc1cccc(Cn2[n-]ccc2=NC(=O)c2cccc(F)c2)c1OC ZINC000606348173 521032506 /nfs/dbraw/zinc/03/25/06/521032506.db2.gz IPNWKPBPEOKVBN-UHFFFAOYSA-N -1 3 355.369 2.762 50 0 FFAAHM Cc1cc(C(=O)[N-]c2nc(C(=O)NCCc3ccc(Cl)cc3)co2)no1 ZINC000090583058 524185600 /nfs/dbraw/zinc/18/56/00/524185600.db2.gz LQIXIBOFNNZPMJ-UHFFFAOYSA-N -1 3 374.784 2.849 50 0 FFAAHM O=C(CCc1c(F)cccc1F)N1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000089809702 526577455 /nfs/dbraw/zinc/57/74/55/526577455.db2.gz IGUMIGQMDFLMPK-UHFFFAOYSA-N -1 3 374.387 2.588 50 0 FFAAHM CC(C)c1noc(C2CCN(C(=O)Nc3cccc4n[n-]nc43)CC2)n1 ZINC000299766057 528489120 /nfs/dbraw/zinc/48/91/20/528489120.db2.gz BGZRDUFDKGQKPA-UHFFFAOYSA-N -1 3 355.402 2.876 50 0 FFAAHM O=C(NCCNC(=O)c1ccc(SC(F)F)cc1)c1ccc([O-])cc1 ZINC000047545496 570891573 /nfs/dbraw/zinc/89/15/73/570891573.db2.gz ZIKZEPDTHUASFN-UHFFFAOYSA-N -1 3 366.389 2.867 50 0 FFAAHM CCCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1C)CC(=O)N2 ZINC000046074007 570924369 /nfs/dbraw/zinc/92/43/69/570924369.db2.gz DHPYOAJMEQKCEN-NSHDSACASA-N -1 3 372.450 2.645 50 0 FFAAHM O=c1[n-]n(CC[C@H]2NN=C(c3ccccc3)S2)c(=O)c2ccccc12 ZINC000670431814 571345564 /nfs/dbraw/zinc/34/55/64/571345564.db2.gz VABSOJKQBJXGOA-HNNXBMFYSA-N -1 3 352.419 2.517 50 0 FFAAHM COc1ccccc1[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C)c1[O-] ZINC000119214912 975741138 /nfs/dbraw/zinc/74/11/38/975741138.db2.gz FDLMKNVJIQHPEU-HNNXBMFYSA-N -1 3 352.394 2.660 50 0 FFAAHM CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cc(Cl)c([O-])c(OCC)c1 ZINC000000803052 219323804 /nfs/dbraw/zinc/32/38/04/219323804.db2.gz WSSHEALBTWXNOJ-CYBMUJFWSA-N -1 3 354.790 2.635 50 0 FFAAHM CCOC(=O)c1sc([N-]C(=O)c2cc(C)on2)c(C(=O)OCC)c1C ZINC000001055036 219359110 /nfs/dbraw/zinc/35/91/10/219359110.db2.gz CRRMRDPPKMDRSN-UHFFFAOYSA-N -1 3 366.395 2.959 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cccc(-c3ccc(OC)nn3)c2)cc1 ZINC000005204173 219661110 /nfs/dbraw/zinc/66/11/10/219661110.db2.gz KHTHDEAHPVDUTL-UHFFFAOYSA-N -1 3 371.418 2.962 50 0 FFAAHM O=C(Nc1ccc(S(=O)(=O)[N-]CC(F)(F)F)cc1)[C@@H]1CC=CCC1 ZINC000014137505 220109407 /nfs/dbraw/zinc/10/94/07/220109407.db2.gz MRYJXNXMZCNQEY-LLVKDONJSA-N -1 3 362.373 2.822 50 0 FFAAHM CC(=O)N1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)ccc21 ZINC000015243608 220150095 /nfs/dbraw/zinc/15/00/95/220150095.db2.gz BUHWAMQIBVTYPW-UHFFFAOYSA-N -1 3 352.362 2.675 50 0 FFAAHM O=C(Nc1ncccc1[O-])[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 ZINC000022263259 220381452 /nfs/dbraw/zinc/38/14/52/220381452.db2.gz SUKOYCHXAYSQAG-ZDUSSCGKSA-N -1 3 359.813 2.932 50 0 FFAAHM COc1ccc(NC(C)=O)cc1NC(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000049545991 221024371 /nfs/dbraw/zinc/02/43/71/221024371.db2.gz LQGQVURLCCIVOC-UHFFFAOYSA-N -1 3 369.352 2.887 50 0 FFAAHM COc1ccc(NC(C)=O)cc1NC(=O)c1cnc2c(F)cccc2c1[O-] ZINC000049545991 221024372 /nfs/dbraw/zinc/02/43/72/221024372.db2.gz LQGQVURLCCIVOC-UHFFFAOYSA-N -1 3 369.352 2.887 50 0 FFAAHM Cn1nccc1-c1csc(S(=O)(=O)[N-]Cc2ccc(F)cc2)c1 ZINC000065112366 221170026 /nfs/dbraw/zinc/17/00/26/221170026.db2.gz MCQRTTDZMUVOHF-UHFFFAOYSA-N -1 3 351.428 2.766 50 0 FFAAHM COc1ccc2c(c1)C[C@H]([N-]S(=O)(=O)c1ccc(Cl)s1)CO2 ZINC000065330325 221200221 /nfs/dbraw/zinc/20/02/21/221200221.db2.gz YWFVODQCAPONBG-JTQLQIEISA-N -1 3 359.856 2.692 50 0 FFAAHM O=S(=O)(CCc1ccccc1)[N-]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000070636453 221333001 /nfs/dbraw/zinc/33/30/01/221333001.db2.gz NTPHBBMENKHYFH-MRXNPFEDSA-N -1 3 373.396 2.599 50 0 FFAAHM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1c[n-]c2c(F)cccc2c1=O ZINC000071440362 221348770 /nfs/dbraw/zinc/34/87/70/221348770.db2.gz YEYGYGPMWLODKO-UHFFFAOYSA-N -1 3 356.401 2.960 50 0 FFAAHM CCc1ccc2occ(CC(=O)N3CCc4c(=O)[n-]c(C)nc4C3)c2c1 ZINC000071589683 221352751 /nfs/dbraw/zinc/35/27/51/221352751.db2.gz XERDKWATFTYTFU-UHFFFAOYSA-N -1 3 351.406 2.514 50 0 FFAAHM Cc1nc[nH]c1-c1nccn1-c1ccc(N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000077505406 132188083 /nfs/dbraw/zinc/18/80/83/132188083.db2.gz KTIYBTNTTODQNI-AWEZNQCLSA-N -1 3 351.410 2.872 50 0 FFAAHM CCc1cc(N2CCC[C@@H](c3cc(=O)[n-]c(C)n3)C2)n2nc(C)c(C)c2n1 ZINC000072439594 136147737 /nfs/dbraw/zinc/14/77/37/136147737.db2.gz WSRDFWJHIDTHCZ-OAHLLOKOSA-N -1 3 366.469 2.684 50 0 FFAAHM COc1ccccc1[C@@H]1CN(C(=O)CN2[C@H](C)CCC[C@@H]2C)C[C@H]1C(=O)[O-] ZINC000091877203 221809207 /nfs/dbraw/zinc/80/92/07/221809207.db2.gz UEWIOCUWMIOLIK-CIRFHOKZSA-N -1 3 374.481 2.585 50 0 FFAAHM O=C(c1ccc2cccc(Cl)c2n1)N1CCC[C@@H](c2cc(=O)[n-]cn2)C1 ZINC000097553340 222191129 /nfs/dbraw/zinc/19/11/29/222191129.db2.gz LSIPZCVCMNSIIC-CYBMUJFWSA-N -1 3 368.824 2.991 50 0 FFAAHM C[C@@H]1CN(C)CCCN1Cc1cc(-c2ccccn2)ccc1OCC(=O)[O-] ZINC000097635002 222200589 /nfs/dbraw/zinc/20/05/89/222200589.db2.gz HHDJORADBKQHPP-MRXNPFEDSA-N -1 3 369.465 2.738 50 0 FFAAHM COc1ccccc1C([O-])=C1C(=O)N[C@@]2(C)C[C@@H]1c1cccc(OC)c1O2 ZINC000103871253 222345489 /nfs/dbraw/zinc/34/54/89/222345489.db2.gz ITQNOGRIGFTKDH-DAESXHAQSA-N -1 3 367.401 2.915 50 0 FFAAHM O=c1cc(CN2CCC[C@H](CCc3c(F)cccc3F)C2)nc2[n-]cnn21 ZINC000102815471 222309091 /nfs/dbraw/zinc/30/90/91/222309091.db2.gz FTJCVQCCLYFIMM-CYBMUJFWSA-N -1 3 373.407 2.541 50 0 FFAAHM O=C(NC[C@H]1CCCO1)c1sc(=S)n2c3ccsc3c(=O)[n-]c12 ZINC000002956420 506303579 /nfs/dbraw/zinc/30/35/79/506303579.db2.gz DHKRHXYZXPHUPM-SSDOTTSWSA-N -1 3 367.477 2.542 50 0 FFAAHM O=C(CSc1nnc([N-]c2ccccc2F)s1)Nc1ncccn1 ZINC000003346169 506323669 /nfs/dbraw/zinc/32/36/69/506323669.db2.gz YENKLDQFLZLLNV-UHFFFAOYSA-N -1 3 362.415 2.942 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N[C@@H]1CCCc2ccccc21 ZINC000003418284 506328829 /nfs/dbraw/zinc/32/88/29/506328829.db2.gz KYULRCHDLIUKKC-OAHLLOKOSA-N -1 3 364.492 2.610 50 0 FFAAHM Cc1ccc(=O)n(C(C(=O)N2CCCCC2)=C([O-])c2ccc(F)cc2)c1 ZINC000004698910 506388929 /nfs/dbraw/zinc/38/89/29/506388929.db2.gz YPDUIWVQSJROSP-GOSISDBHSA-N -1 3 356.397 2.732 50 0 FFAAHM Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1[O-] ZINC000004736028 506391026 /nfs/dbraw/zinc/39/10/26/506391026.db2.gz AJUBWMKHEJQNQQ-UHFFFAOYSA-N -1 3 354.435 2.842 50 0 FFAAHM CCN1CCN([C@H](C(=O)[O-])c2c[nH]c3cc(NC(=O)C(C)C)ccc32)CC1 ZINC000036360686 506402344 /nfs/dbraw/zinc/40/23/44/506402344.db2.gz PNTRGNMSQCPDPT-SFHVURJKSA-N -1 3 372.469 2.526 50 0 FFAAHM CCOc1ccc(Br)cc1S(=O)(=O)[N-]Cc1ccncc1 ZINC000006046392 506464850 /nfs/dbraw/zinc/46/48/50/506464850.db2.gz KGMBKQQOOAKWKG-UHFFFAOYSA-N -1 3 371.256 2.721 50 0 FFAAHM O=C1c2ccccc2C(=O)N1CCSc1n[n-]c(-c2cccs2)n1 ZINC000006344903 506477952 /nfs/dbraw/zinc/47/79/52/506477952.db2.gz UNVISBRTHPZLTO-UHFFFAOYSA-N -1 3 356.432 2.922 50 0 FFAAHM CCOC(=O)C(C)(C)Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1 ZINC000006493042 506484316 /nfs/dbraw/zinc/48/43/16/506484316.db2.gz RYBVGCGYRVPIHM-UHFFFAOYSA-N -1 3 372.450 2.851 50 0 FFAAHM Cc1c([O-])ccc2c(C)c(CCC(=O)N[C@H](CO)CC(C)C)c(=O)oc12 ZINC000006624615 506492061 /nfs/dbraw/zinc/49/20/61/506492061.db2.gz SBPMGQIJUXWEOF-AWEZNQCLSA-N -1 3 361.438 2.571 50 0 biogenic FFAAHM Cc1cc([N-]C(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)cs2)no1 ZINC000006680641 506497339 /nfs/dbraw/zinc/49/73/39/506497339.db2.gz FRMFSZQVFMQQOK-UHFFFAOYSA-N -1 3 369.468 2.717 50 0 FFAAHM O=c1nc(CSc2nnnn2C2CC2)[n-]c2scc(-c3ccco3)c21 ZINC000008231243 506633840 /nfs/dbraw/zinc/63/38/40/506633840.db2.gz INGTUCBNSPUHNG-UHFFFAOYSA-N -1 3 372.435 2.858 50 0 FFAAHM O=c1[n-]nc(SCc2cn3ccccc3n2)n1CCc1ccccc1 ZINC000009364386 506693673 /nfs/dbraw/zinc/69/36/73/506693673.db2.gz CBAKHPHDWQZOGK-UHFFFAOYSA-N -1 3 351.435 2.754 50 0 FFAAHM COc1ccc([N-]S(=O)(=O)c2cc(C)c3[nH]c(=O)cc(C)c3c2)cc1 ZINC000010274248 506735845 /nfs/dbraw/zinc/73/58/45/506735845.db2.gz ARFOWOHCXHJLLB-UHFFFAOYSA-N -1 3 358.419 2.954 50 0 FFAAHM CC(=O)N[C@H](C(=O)OCc1cc(=O)oc2c(C)c([O-])ccc12)C1CCCC1 ZINC000010911678 506758238 /nfs/dbraw/zinc/75/82/38/506758238.db2.gz REPHHJLCQJJHCZ-SFHVURJKSA-N -1 3 373.405 2.545 50 0 FFAAHM CC(C)c1ccc(NC(=O)CSc2nc3c(nc[n-]c3=O)n2C)cc1 ZINC000012401739 506859348 /nfs/dbraw/zinc/85/93/48/506859348.db2.gz NPPPAQHDLFSFKZ-UHFFFAOYSA-N -1 3 357.439 2.511 50 0 biogenic,in-vitro FFAAHM C[C@H](C1CCN(C(=O)c2ccc3cccnc3c2[O-])CC1)N1CCOCC1 ZINC000072428527 507788910 /nfs/dbraw/zinc/78/89/10/507788910.db2.gz OILZPTRDFYZIKI-OAHLLOKOSA-N -1 3 369.465 2.513 50 0 FFAAHM COc1ccc([O-])c(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)c1 ZINC000089652291 507853952 /nfs/dbraw/zinc/85/39/52/507853952.db2.gz QKQWLVVHEZOVBH-AWEZNQCLSA-N -1 3 369.421 2.595 50 0 FFAAHM Cc1ncc(C(=O)N2CCc3c4ccccc4[nH]c3[C@H]2C(C)C)c(=O)[n-]1 ZINC000091474608 507988232 /nfs/dbraw/zinc/98/82/32/507988232.db2.gz XWYZETZZMHVEQM-GOSISDBHSA-N -1 3 350.422 2.955 50 0 FFAAHM CCSc1ncc(CN2C[C@@H](c3cccc(OC)c3)[C@H](C(=O)[O-])C2)cn1 ZINC000091848306 508018959 /nfs/dbraw/zinc/01/89/59/508018959.db2.gz FMSIEHKNFGYBFK-DLBZAZTESA-N -1 3 373.478 2.897 50 0 FFAAHM CCOc1ccccc1[C@@H](C(=O)[O-])N1CCC(O)(c2cccnc2)CC1 ZINC000095365970 508177768 /nfs/dbraw/zinc/17/77/68/508177768.db2.gz HMBCIBVCIHZYJH-SFHVURJKSA-N -1 3 356.422 2.590 50 0 FFAAHM Cc1ccc(-c2ccccc2CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])o1 ZINC000095372413 508179072 /nfs/dbraw/zinc/17/90/72/508179072.db2.gz LFWRFUQRAMXQPZ-KRWDZBQOSA-N -1 3 368.433 2.810 50 0 FFAAHM O=C(c1ccncc1[O-])N1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095511542 508192509 /nfs/dbraw/zinc/19/25/09/508192509.db2.gz HXDQWHQLPGJSAU-DFQSSKMNSA-N -1 3 367.424 2.629 50 0 FFAAHM COc1cc(C)cc([C@H](C(=O)[O-])N2CCC(Cn3ccnc3)CC2)c1OC ZINC000095528895 508196269 /nfs/dbraw/zinc/19/62/69/508196269.db2.gz LJBKOMZEWXFSRT-GOSISDBHSA-N -1 3 373.453 2.747 50 0 FFAAHM Cc1cc(C(=O)N2CCC3(CC2)Nc2ccccc2NC3=O)ccc1[O-] ZINC000082114957 508225850 /nfs/dbraw/zinc/22/58/50/508225850.db2.gz MDNLHNHWNBVINF-UHFFFAOYSA-N -1 3 351.406 2.740 50 0 FFAAHM Cc1nc2c(nc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)c(=O)[n-]1 ZINC000085746611 508315792 /nfs/dbraw/zinc/31/57/92/508315792.db2.gz SRNKNVXHQKIYCW-UHFFFAOYSA-N -1 3 371.466 2.819 50 0 FFAAHM COc1ccccc1-c1ncc(CNc2nc3c(c(=O)[n-]2)CCNC3)s1 ZINC000077521114 508327007 /nfs/dbraw/zinc/32/70/07/508327007.db2.gz KVAQYIZBAGORSZ-UHFFFAOYSA-N -1 3 369.450 2.572 50 0 FFAAHM CC(C)c1nc(S(=O)(=O)[N-]CC[C@H](O)c2cccc(Cl)c2)cn1C ZINC000225612101 509379439 /nfs/dbraw/zinc/37/94/39/509379439.db2.gz OFMRCTSRPBXXRD-AWEZNQCLSA-N -1 3 371.890 2.599 50 0 FFAAHM Cc1cc([C@H]2CCCN2C(=O)c2ccc(-c3c[nH]c(=O)[n-]c3=O)cc2)on1 ZINC000426436731 513941259 /nfs/dbraw/zinc/94/12/59/513941259.db2.gz QXACOACGFZCICF-OAHLLOKOSA-N -1 3 366.377 2.829 50 0 FFAAHM Cc1[n-][nH]c(=O)c1CC(=O)N1CCC[C@H]1c1nc2ccc(Cl)cc2[nH]1 ZINC000426465073 513947826 /nfs/dbraw/zinc/94/78/26/513947826.db2.gz CVQFENQSCWLHIZ-AWEZNQCLSA-N -1 3 359.817 2.860 50 0 FFAAHM Cc1cc(C)nc(-c2ccc(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)cc2)n1 ZINC000426677687 514013711 /nfs/dbraw/zinc/01/37/11/514013711.db2.gz PERXEPFQBBHGBU-UHFFFAOYSA-N -1 3 361.405 2.720 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-]C[C@@H](O)c1ccc(-c2ccco2)cc1 ZINC000618255859 520966108 /nfs/dbraw/zinc/96/61/08/520966108.db2.gz KCKHHSUJKRVTRK-OAHLLOKOSA-N -1 3 362.407 2.563 50 0 FFAAHM COc1cccc(C(=O)N2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)c1[O-] ZINC000091494209 525810400 /nfs/dbraw/zinc/81/04/00/525810400.db2.gz YEVQXXMFNSGZHR-DOTOQJQBSA-N -1 3 367.449 2.532 50 0 FFAAHM O=C([O-])[C@@H]1C[C@@H](NCc2ccc(Cl)o2)[C@@H](n2cc(C3CC3)nn2)C1 ZINC000685942371 571102350 /nfs/dbraw/zinc/10/23/50/571102350.db2.gz RSSSQTXJRYCYAN-QKCSRTOESA-N -1 3 350.806 2.596 50 0 FFAAHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cccc(-c2nnn[n-]2)c1 ZINC000095447976 598449485 /nfs/dbraw/zinc/44/94/85/598449485.db2.gz VHVNOVYSPIXHAE-CMDGGOBGSA-N -1 3 361.814 2.933 50 0 FFAAHM O=S(=O)(C=Cc1ccccc1Cl)Nc1cccc(-c2nn[n-]n2)c1 ZINC000095447976 598449487 /nfs/dbraw/zinc/44/94/87/598449487.db2.gz VHVNOVYSPIXHAE-CMDGGOBGSA-N -1 3 361.814 2.933 50 0 FFAAHM Cn1ncc2c1ncc(C(=O)N1CCCCC[C@H]1c1ccncc1)c2[O-] ZINC000179430664 991244611 /nfs/dbraw/zinc/24/46/11/991244611.db2.gz IOCKRETZVGVRKE-INIZCTEOSA-N -1 3 351.410 2.826 50 0 FFAAHM Cc1ccc(S(=O)(=O)N2NC(C(C)C)=C[C@]2([O-])C(F)(F)F)cc1 ZINC000000664346 219310190 /nfs/dbraw/zinc/31/01/90/219310190.db2.gz MUHDVHCUIKCTQV-ZDUSSCGKSA-N -1 3 350.362 2.652 50 0 FFAAHM O=C(Nc1ccccc1[O-])c1ccc2c(c1)C(=O)N(Cc1cccnc1)C2=O ZINC000000692742 219314525 /nfs/dbraw/zinc/31/45/25/219314525.db2.gz GZKCFRSNXHUQQH-UHFFFAOYSA-N -1 3 373.368 2.836 50 0 FFAAHM Cc1ccc(=O)n(C(C(=O)NCc2ccco2)=C([O-])c2ccc(F)cc2)c1 ZINC000000819540 219325778 /nfs/dbraw/zinc/32/57/78/219325778.db2.gz NRRHXNFLTZOXJH-SFHVURJKSA-N -1 3 368.364 2.629 50 0 FFAAHM CC(=O)N[C@@H](NC(=S)Nc1ccccc1[O-])C(Cl)(Cl)Cl ZINC000001232165 219390940 /nfs/dbraw/zinc/39/09/40/219390940.db2.gz XUJWZSDVLHECBV-VIFPVBQESA-N -1 3 356.662 2.511 50 0 FFAAHM Nc1nc(SCC(=O)[N-]C(=O)OCc2ccccc2)nc2sccc21 ZINC000008777671 219869923 /nfs/dbraw/zinc/86/99/23/219869923.db2.gz RPODXOUCVXMXSE-UHFFFAOYSA-N -1 3 374.447 2.819 50 0 FFAAHM O=C(NCCNC(=O)c1ccccc1[O-])c1ccc(C(F)(F)F)cc1 ZINC000012822017 220034019 /nfs/dbraw/zinc/03/40/19/220034019.db2.gz SIMHYTMCBMSBDD-UHFFFAOYSA-N -1 3 352.312 2.571 50 0 FFAAHM O=C(CCc1nc(=O)c2c3c(sc2[nH]1)CCC3)Nc1ccccc1[O-] ZINC000012881698 220038820 /nfs/dbraw/zinc/03/88/20/220038820.db2.gz KQTXCZJICMPRKN-UHFFFAOYSA-N -1 3 355.419 2.750 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCc2ccc(OC(F)(F)F)cc2)c(=O)[n-]1 ZINC000012933738 220045237 /nfs/dbraw/zinc/04/52/37/220045237.db2.gz XJDAIVAUVWMYHE-UHFFFAOYSA-N -1 3 369.343 2.534 50 0 FFAAHM COC(=O)c1cc(-c2ccc(OC)cc2)nc2nc(SC)[n-]c(=O)c21 ZINC000013120441 220059155 /nfs/dbraw/zinc/05/91/55/220059155.db2.gz FUHOQWANNLBPTQ-UHFFFAOYSA-N -1 3 357.391 2.502 50 0 FFAAHM CC1(C)Cc2c(sc3[nH]c(=O)n4nc(-c5ccccc5[O-])nc4c23)CO1 ZINC000013656139 220081659 /nfs/dbraw/zinc/08/16/59/220081659.db2.gz ISEVGYTYSILBNI-UHFFFAOYSA-N -1 3 368.418 2.856 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)NCCc1c[nH]c2ccccc12 ZINC000014047258 220104367 /nfs/dbraw/zinc/10/43/67/220104367.db2.gz LEZFZVNDIHPQQP-UHFFFAOYSA-N -1 3 356.451 2.514 50 0 FFAAHM CCCCOC(=O)CSc1nc2c(cnn2-c2ccccc2)c(=O)[n-]1 ZINC000022609697 220390677 /nfs/dbraw/zinc/39/06/77/220390677.db2.gz WOLXZHOLCSKCKG-UHFFFAOYSA-N -1 3 358.423 2.957 50 0 FFAAHM COc1cc(C(=O)Nc2ncccc2[O-])cc(OC)c1Br ZINC000032815031 220684703 /nfs/dbraw/zinc/68/47/03/220684703.db2.gz STQCXYYDJVLAMY-UHFFFAOYSA-N -1 3 353.172 2.819 50 0 FFAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCC1)c1cc(F)cc(F)c1 ZINC000048312996 221006783 /nfs/dbraw/zinc/00/67/83/221006783.db2.gz BSDIQFRMMUCBPP-OAHLLOKOSA-N -1 3 356.394 2.673 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-][C@@H](C)c2ccccc2C)s1 ZINC000048263989 221004605 /nfs/dbraw/zinc/00/46/05/221004605.db2.gz BFRNCRPFIJMKDG-LBPRGKRZSA-N -1 3 352.481 2.732 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]c2ccc(CC(N)=O)cc2)ccc1OC(C)C ZINC000055586158 221072528 /nfs/dbraw/zinc/07/25/28/221072528.db2.gz OCNZZRLIFGBZAR-UHFFFAOYSA-N -1 3 362.451 2.611 50 0 FFAAHM Cc1cc2nc(SCC(=O)N(C)c3cccc(Cl)c3)[n-]c(=O)c2[nH]1 ZINC000057521118 221090648 /nfs/dbraw/zinc/09/06/48/221090648.db2.gz FDOZDWDLZXKZIL-UHFFFAOYSA-N -1 3 362.842 2.968 50 0 FFAAHM CCc1ccc([O-])c(C(=O)N2CCC[C@@H](C(=O)Nc3nccs3)C2)c1 ZINC000058228503 221110456 /nfs/dbraw/zinc/11/04/56/221110456.db2.gz SBJGHAPSERHPMA-CYBMUJFWSA-N -1 3 359.451 2.902 50 0 FFAAHM COc1ccc(C(=O)c2cnc3cc4c(cc3c2[O-])OCCO4)cc1OC ZINC000067340975 221252946 /nfs/dbraw/zinc/25/29/46/221252946.db2.gz AXLVYBIUCAKELQ-UHFFFAOYSA-N -1 3 367.357 2.548 50 0 FFAAHM CC(C)n1[n-]c(=O)c2c1NC(=O)C[C@]21c2cc(Cl)ccc2N(C)C1=O ZINC000071279411 221337394 /nfs/dbraw/zinc/33/73/94/221337394.db2.gz CYBWTKPPHXPJBR-KRWDZBQOSA-N -1 3 360.801 2.665 50 0 FFAAHM CC(C)[C@@H]1CN(C(=O)c2cc(=O)[nH][n-]2)CCCN1Cc1ccc(F)cc1 ZINC000071763700 221371718 /nfs/dbraw/zinc/37/17/18/221371718.db2.gz NWZPJMYHGBKNIK-KRWDZBQOSA-N -1 3 360.433 2.627 50 0 FFAAHM O=c1ccc(-c2ccc(F)c(S(=O)(=O)[N-]C3CCCCCC3)c2)n[nH]1 ZINC000072437457 221528231 /nfs/dbraw/zinc/52/82/31/221528231.db2.gz FGSBUZOVTFTVDS-UHFFFAOYSA-N -1 3 365.430 2.577 50 0 FFAAHM COc1ccc(C(=O)N2CC(=O)N(c3ccccc3Cl)C[C@H]2C)c([O-])c1 ZINC000082137369 132197031 /nfs/dbraw/zinc/19/70/31/132197031.db2.gz XPXPSKFUZUYSBD-GFCCVEGCSA-N -1 3 374.824 2.932 50 0 FFAAHM O=S(=O)([N-]CCn1ccc(C(F)(F)F)n1)c1ccc(Cl)s1 ZINC000096099025 222022594 /nfs/dbraw/zinc/02/25/94/222022594.db2.gz SANPIOHQGYFPEJ-UHFFFAOYSA-N -1 3 359.782 2.595 50 0 FFAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@@H]1c1cccnc1 ZINC000097514261 222186564 /nfs/dbraw/zinc/18/65/64/222186564.db2.gz BNCXFRAMFHHMSV-QGZVFWFLSA-N -1 3 364.405 2.505 50 0 FFAAHM Cc1ccccc1[C@@H]1CCN(CCNC(=O)c2ccc(C(=O)[O-])cc2)C1 ZINC000097732951 222209389 /nfs/dbraw/zinc/20/93/89/222209389.db2.gz PKGUKPOWTWFPCY-GOSISDBHSA-N -1 3 352.434 2.913 50 0 FFAAHM Cc1cccc(C(=O)N2N=C(c3cccnc3)C[C@]2(O)C(F)(F)F)c1[O-] ZINC000001207663 506254145 /nfs/dbraw/zinc/25/41/45/506254145.db2.gz LOJYBNBXKNGQCF-INIZCTEOSA-N -1 3 365.311 2.597 50 0 FFAAHM Cc1ccnn1[C@H](C)c1n[n-]c(=S)n1-c1cnn(Cc2ccccc2)c1 ZINC000002809284 506297139 /nfs/dbraw/zinc/29/71/39/506297139.db2.gz OWDJRTPXBUNMBN-CQSZACIVSA-N -1 3 365.466 2.915 50 0 FFAAHM COc1ccccc1[C@@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)N(C)C ZINC000033047870 506329396 /nfs/dbraw/zinc/32/93/96/506329396.db2.gz AGLVTXBTLJFCAG-MRXNPFEDSA-N -1 3 370.421 2.555 50 0 FFAAHM COc1ccccc1[C@H](C[N-]S(=O)(=O)c1ccc(F)c(F)c1)N(C)C ZINC000033047872 506329659 /nfs/dbraw/zinc/32/96/59/506329659.db2.gz AGLVTXBTLJFCAG-INIZCTEOSA-N -1 3 370.421 2.555 50 0 FFAAHM COC(=O)[C@H]([N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC000033708366 506362491 /nfs/dbraw/zinc/36/24/91/506362491.db2.gz YKKJAWCHSRNYLV-CQSZACIVSA-N -1 3 373.352 2.898 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)C[C@@H](NCc1ccccc1)C(=O)[O-] ZINC000004192522 506364971 /nfs/dbraw/zinc/36/49/71/506364971.db2.gz INOQUKWAUGDPTA-OAHLLOKOSA-N -1 3 362.813 2.920 50 0 FFAAHM O=C1Cc2cc(S(=O)(=O)[N-]c3ccccc3Cl)cc3c2N1CCC3 ZINC000004570197 506383604 /nfs/dbraw/zinc/38/36/04/506383604.db2.gz DSJWWHKESSLQGA-UHFFFAOYSA-N -1 3 362.838 2.976 50 0 FFAAHM Cc1cc(C)c([N-]S(=O)(=O)c2ccc3c(c2)n(C)c(=O)n3C)c(C)c1 ZINC000005013494 506414748 /nfs/dbraw/zinc/41/47/48/506414748.db2.gz YJAJELGVCKINOT-UHFFFAOYSA-N -1 3 359.451 2.603 50 0 FFAAHM CC[C@@H](Sc1nc2c(cnn2-c2ccc(C)cc2)c(=O)[n-]1)C(=O)OC ZINC000006004936 506464650 /nfs/dbraw/zinc/46/46/50/506464650.db2.gz DNVRNYHOPBKPIU-CYBMUJFWSA-N -1 3 358.423 2.873 50 0 FFAAHM COc1cccc(-c2cc(C(=O)N3NC(C)=C[C@@]3([O-])C(F)(F)F)[nH]n2)c1 ZINC000006394493 506481070 /nfs/dbraw/zinc/48/10/70/506481070.db2.gz UETCQSIKVZFGKI-OAHLLOKOSA-N -1 3 368.315 2.558 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(C(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)N1 ZINC000006394889 506481185 /nfs/dbraw/zinc/48/11/85/506481185.db2.gz VCTPHYFMWLLDFM-BZNIZROVSA-N -1 3 356.344 2.802 50 0 FFAAHM O=S(=O)([N-]CCCN1CCCCC1)c1ccc(Br)s1 ZINC000007709767 506584428 /nfs/dbraw/zinc/58/44/28/506584428.db2.gz NFYDOHYQFTXRDI-UHFFFAOYSA-N -1 3 367.334 2.665 50 0 FFAAHM CCOC(=O)CSc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)[n-]1 ZINC000008667038 506662392 /nfs/dbraw/zinc/66/23/92/506662392.db2.gz SCVQQDMTLYQKAC-UHFFFAOYSA-N -1 3 374.344 2.731 50 0 FFAAHM CCOC(=O)CSc1n[n-]c(NC(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000008667038 506662397 /nfs/dbraw/zinc/66/23/97/506662397.db2.gz SCVQQDMTLYQKAC-UHFFFAOYSA-N -1 3 374.344 2.731 50 0 FFAAHM CCOC(=O)CSc1nc(NC(=O)c2cccc(C(F)(F)F)c2)n[n-]1 ZINC000008667038 506662404 /nfs/dbraw/zinc/66/24/04/506662404.db2.gz SCVQQDMTLYQKAC-UHFFFAOYSA-N -1 3 374.344 2.731 50 0 FFAAHM CCOc1c(C)cc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)cc1C ZINC000010063834 506725636 /nfs/dbraw/zinc/72/56/36/506725636.db2.gz VDQTXEHAGDYMHY-UHFFFAOYSA-N -1 3 360.435 2.998 50 0 FFAAHM CC(=O)[C@@H]1[C@@H](c2ccc(C(F)(F)F)cc2)NC(=O)[N-][C@@]1(O)C(F)(F)F ZINC000012377539 506855465 /nfs/dbraw/zinc/85/54/65/506855465.db2.gz XTKAMUGCTADIQP-FOGDFJRCSA-N -1 3 370.249 2.515 50 0 FFAAHM O=C([N-]c1nc[nH]n1)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F ZINC000023140782 507333382 /nfs/dbraw/zinc/33/33/82/507333382.db2.gz NBJIKORVKWNUPP-UHFFFAOYSA-N -1 3 356.695 2.915 50 0 FFAAHM Cc1nc2cc(C(=O)NCc3cc(=O)[n-]c(C)n3)ccc2n1-c1ccccc1 ZINC000023368486 507348612 /nfs/dbraw/zinc/34/86/12/507348612.db2.gz KWSCZGGIFJBYTN-UHFFFAOYSA-N -1 3 373.416 2.656 50 0 FFAAHM CCOC(=O)c1c(C)oc2nc(CN(C)Cc3cccc(F)c3)[n-]c(=O)c21 ZINC000023732080 507369097 /nfs/dbraw/zinc/36/90/97/507369097.db2.gz VNMKQTMBSYTMOH-UHFFFAOYSA-N -1 3 373.384 2.772 50 0 FFAAHM Cc1csc([N-]C(=O)c2sccc2S(=O)(=O)N2CCCC2)n1 ZINC000025324567 507487906 /nfs/dbraw/zinc/48/79/06/507487906.db2.gz FUFXXSFEWIOLPH-UHFFFAOYSA-N -1 3 357.482 2.550 50 0 FFAAHM Cc1ccnc2nc(C(=O)[N-]c3ncc(Cc4cccc(F)c4)s3)nn21 ZINC000031993705 507822803 /nfs/dbraw/zinc/82/28/03/507822803.db2.gz HMWCYEJMYOMJRQ-UHFFFAOYSA-N -1 3 368.397 2.871 50 0 FFAAHM CCn1ccnc1C1CCN(C(=O)c2c[n-]c3c(F)cccc3c2=O)CC1 ZINC000091526281 507990907 /nfs/dbraw/zinc/99/09/07/507990907.db2.gz NBEIZNGDUDJSCP-UHFFFAOYSA-N -1 3 368.412 2.903 50 0 FFAAHM CC(C)=CCN1CC2(CC1=O)CCN(C(=O)Cc1ccc([O-])c(F)c1)CC2 ZINC000095368556 508178141 /nfs/dbraw/zinc/17/81/41/508178141.db2.gz XFVMJZPBYFDFPC-UHFFFAOYSA-N -1 3 374.456 2.881 50 0 FFAAHM O=C(c1ccc2n[n-]nc2c1)N1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095391589 508183539 /nfs/dbraw/zinc/18/35/39/508183539.db2.gz XXSZHJPTSHLGCJ-MRXNPFEDSA-N -1 3 364.453 2.974 50 0 FFAAHM COc1cc(F)ccc1[C@@H](C(=O)[O-])N1CCC(O)(c2ccccc2)CC1 ZINC000095391893 508183814 /nfs/dbraw/zinc/18/38/14/508183814.db2.gz KMMJVHYPLCJFBB-SFHVURJKSA-N -1 3 359.397 2.944 50 0 FFAAHM COc1ccc([C@H]2CC(=O)Nc3c2c(=O)[n-]n3C2CCOCC2)cc1OC ZINC000095475856 508188285 /nfs/dbraw/zinc/18/82/85/508188285.db2.gz FIMLKOXEOCMPJK-CYBMUJFWSA-N -1 3 373.409 2.669 50 0 FFAAHM COc1cccc(CN2C[C@@H]3c4ccccc4OC[C@]3(C(=O)[O-])C2)c1OC ZINC000095520375 508195088 /nfs/dbraw/zinc/19/50/88/508195088.db2.gz OQBLCQALNSJSDS-IIBYNOLFSA-N -1 3 369.417 2.767 50 0 FFAAHM O=C(CN1CCCCC1=O)[N-]c1cc(-c2ccc(Br)o2)no1 ZINC000095971390 508199805 /nfs/dbraw/zinc/19/98/05/508199805.db2.gz DZDPNYMCAFDQJY-UHFFFAOYSA-N -1 3 368.187 2.648 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]C[C@H]2CCCO2)c(Cl)cc1Br ZINC000230513841 509438216 /nfs/dbraw/zinc/43/82/16/509438216.db2.gz SYNIUTDWLWSRSY-SECBINFHSA-N -1 3 368.680 2.868 50 0 FFAAHM O=C(N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1)c1cc([O-])ccc1F ZINC000244691729 509864069 /nfs/dbraw/zinc/86/40/69/509864069.db2.gz JICZJNOJFOIPLW-OHNRDTAOSA-N -1 3 357.381 2.708 50 0 FFAAHM O=C([O-])Cn1ccc([C@@H]2CCCN(Cc3ccc(OC(F)F)cc3)C2)n1 ZINC000426597382 513991669 /nfs/dbraw/zinc/99/16/69/513991669.db2.gz JQJBHPIWEJPMRR-CQSZACIVSA-N -1 3 365.380 2.949 50 0 FFAAHM COc1nnc(-c2ccc(C(=O)N(C)CC[C@H](O)c3ccccc3)cc2)[n-]1 ZINC000534640078 517976356 /nfs/dbraw/zinc/97/63/56/517976356.db2.gz DEJYHDHVUBEUBW-KRWDZBQOSA-N -1 3 366.421 2.676 50 0 FFAAHM COc1nc(-c2ccc(C(=O)N(C)CC[C@H](O)c3ccccc3)cc2)n[n-]1 ZINC000534640078 517976362 /nfs/dbraw/zinc/97/63/62/517976362.db2.gz DEJYHDHVUBEUBW-KRWDZBQOSA-N -1 3 366.421 2.676 50 0 FFAAHM COc1n[n-]c(-c2ccc(C(=O)N(C)CC[C@H](O)c3ccccc3)cc2)n1 ZINC000534640078 517976372 /nfs/dbraw/zinc/97/63/72/517976372.db2.gz DEJYHDHVUBEUBW-KRWDZBQOSA-N -1 3 366.421 2.676 50 0 FFAAHM CC(C)(C)c1cc(C(=O)NC[C@H](O)C23CC4CC(CC(C4)C2)C3)[n-]c(=O)n1 ZINC000299783644 526751889 /nfs/dbraw/zinc/75/18/89/526751889.db2.gz WTDINYBKYHRRJZ-CQMMPMSNSA-N -1 3 373.497 2.787 50 0 FFAAHM O=S(=O)(C[C@H]1CCCCO1)[N-]c1cccc(-c2noc(C3CC3)n2)c1 ZINC000088547389 527186711 /nfs/dbraw/zinc/18/67/11/527186711.db2.gz PTPSXAPVWYTHGV-OAHLLOKOSA-N -1 3 363.439 2.925 50 0 FFAAHM CC(C)(C)c1ccc(-c2nn3c([n-]2)nc(CN2CCCC2)cc3=O)cc1 ZINC000101747767 570823402 /nfs/dbraw/zinc/82/34/02/570823402.db2.gz KWLVOKAQYLPPJZ-UHFFFAOYSA-N -1 3 351.454 2.978 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)C=Cc3ccccc3F)c2)NC(=O)[N-]C1=O ZINC000047299020 570885284 /nfs/dbraw/zinc/88/52/84/570885284.db2.gz UVJQMDYAYDKMBX-ZBTAVZRMSA-N -1 3 353.353 2.532 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1ccccc1CC)CC(=O)N2 ZINC000046073927 570923498 /nfs/dbraw/zinc/92/34/98/570923498.db2.gz NZVIZHLNBQZLAW-NSHDSACASA-N -1 3 372.450 2.509 50 0 FFAAHM c1cnn(-c2cccc(-c3nccn3Cc3cccc(-c4nnn[n-]4)c3)c2)c1 ZINC000077376316 1020667100 /nfs/dbraw/zinc/66/71/00/1020667100.db2.gz CTAHIKMCJAPXQX-UHFFFAOYSA-N -1 3 368.404 2.964 50 0 FFAAHM c1cnn(-c2cccc(-c3nccn3Cc3cccc(-c4nn[n-]n4)c3)c2)c1 ZINC000077376316 1020667101 /nfs/dbraw/zinc/66/71/01/1020667101.db2.gz CTAHIKMCJAPXQX-UHFFFAOYSA-N -1 3 368.404 2.964 50 0 FFAAHM C[C@H]([N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)Nc1cccnc1 ZINC000005699278 219694611 /nfs/dbraw/zinc/69/46/11/219694611.db2.gz QXFISPCLZKLCOW-VIFPVBQESA-N -1 3 374.249 2.694 50 0 FFAAHM COc1ccc(NC(=O)CCc2c(C)[nH]c(=S)[n-]c2=O)cc1Cl ZINC000012897449 220040344 /nfs/dbraw/zinc/04/03/44/220040344.db2.gz VCZGOUXGLJFNTD-UHFFFAOYSA-N -1 3 353.831 2.974 50 0 FFAAHM Cc1[nH]c(=S)[n-]c(=O)c1CCC(=O)N[C@@H](C)c1ccc(F)cc1F ZINC000012894055 220040013 /nfs/dbraw/zinc/04/00/13/220040013.db2.gz JDMYUNJKBGPQLU-QMMMGPOBSA-N -1 3 353.394 2.829 50 0 FFAAHM COC(=O)[C@@H](C)Sc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[n-]1 ZINC000013143672 220059714 /nfs/dbraw/zinc/05/97/14/220059714.db2.gz UCXXJLNIMLUELP-MRVPVSSYSA-N -1 3 364.814 2.828 50 0 FFAAHM COc1cc([C@@H]2NCCc3c4ccccc4[nH]c32)ccc1OCC(=O)[O-] ZINC000013361311 220066171 /nfs/dbraw/zinc/06/61/71/220066171.db2.gz UBOMAUNWCQSKAS-IBGZPJMESA-N -1 3 352.390 2.875 50 0 FFAAHM Cc1nc(C)c(CCC(=O)NCc2ccc(C(F)(F)F)cc2)c(=O)[n-]1 ZINC000014119757 220107329 /nfs/dbraw/zinc/10/73/29/220107329.db2.gz BFTUZHXQYHAOLR-UHFFFAOYSA-N -1 3 353.344 2.655 50 0 FFAAHM COC[C@@H](C)NC(=O)c1sc2[n-]c(Cc3ccccc3)nc(=O)c2c1C ZINC000022461868 220387241 /nfs/dbraw/zinc/38/72/41/220387241.db2.gz FTVZPUPWXBISLD-LLVKDONJSA-N -1 3 371.462 2.649 50 0 FFAAHM COC(=O)C(=C([O-])CC[C@@H]1Cc2ccccc2NC1=O)c1nc(C)cs1 ZINC000048310794 221006385 /nfs/dbraw/zinc/00/63/85/221006385.db2.gz XJXZGMVTWKOCPF-CZUORRHYSA-N -1 3 372.446 2.868 50 0 FFAAHM CC(=O)NCc1ccc(S(=O)(=O)[N-]C23CC4CC(CC(C4)C2)C3)s1 ZINC000048314091 221006718 /nfs/dbraw/zinc/00/67/18/221006718.db2.gz VRSLFBIUZUFDHO-UHFFFAOYSA-N -1 3 368.524 2.631 50 0 FFAAHM Cc1cc(Br)c(S(=O)(=O)[N-]C[C@@H]2CCCO2)cc1Cl ZINC000054363191 221053116 /nfs/dbraw/zinc/05/31/16/221053116.db2.gz URURNUCVQDBVOZ-VIFPVBQESA-N -1 3 368.680 2.868 50 0 FFAAHM Cc1cc(=O)[n-]c(NCCn2cnc(-c3ccccc3)c2[C@H]2CCOC2)n1 ZINC000065535558 221232537 /nfs/dbraw/zinc/23/25/37/221232537.db2.gz AHVWUCLZTGSIKZ-INIZCTEOSA-N -1 3 365.437 2.558 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2C(C)C)[C@H](c2ccc(OCC(N)=O)cc2)S1 ZINC000071285800 221339055 /nfs/dbraw/zinc/33/90/55/221339055.db2.gz FBGPPTZJCGQTPG-HNNXBMFYSA-N -1 3 360.439 2.920 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cc3c4c(c2)CCC(=O)N4CCC3)cc1 ZINC000005154091 132256571 /nfs/dbraw/zinc/25/65/71/132256571.db2.gz OZVDLGPFUHJDAZ-UHFFFAOYSA-N -1 3 372.446 2.721 50 0 FFAAHM Cc1nc(N2CCN(Cc3ccccc3)CC2)[n-]c(=O)c1Cc1ccccc1 ZINC000054253550 136125403 /nfs/dbraw/zinc/12/54/03/136125403.db2.gz VJDYHZRLHLKUBX-UHFFFAOYSA-N -1 3 374.488 2.991 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cnn(C)c2)S1 ZINC000096116617 222033087 /nfs/dbraw/zinc/03/30/87/222033087.db2.gz SXQLFCDVRPDAOA-JSGCOSHPSA-N -1 3 361.471 2.926 50 0 FFAAHM Cc1nc(COc2ccc(/C=C3/C(=O)[N-]C(=O)c4ccccc43)cc2)no1 ZINC000096310934 222113172 /nfs/dbraw/zinc/11/31/72/222113172.db2.gz KONGBPYDOIHQSD-LICLKQGHSA-N -1 3 361.357 2.768 50 0 FFAAHM COC1CCN(Cc2cc(-c3cccnc3)ccc2OCC(=O)[O-])CC1 ZINC000097600985 222196577 /nfs/dbraw/zinc/19/65/77/222196577.db2.gz VWSMHWDBVVHQTN-UHFFFAOYSA-N -1 3 356.422 2.823 50 0 FFAAHM CCCc1cc(=O)n2nc(NCc3cccc(Br)c3)[n-]c2n1 ZINC000101269090 222266731 /nfs/dbraw/zinc/26/67/31/222266731.db2.gz PUUWFCONFHOZQE-UHFFFAOYSA-N -1 3 362.231 2.745 50 0 FFAAHM CC(=O)[N-]C1=NN(C(C)=O)[C@@](C)(c2cccc(Br)c2)S1 ZINC000000642823 263141281 /nfs/dbraw/zinc/14/12/81/263141281.db2.gz QVNUJARFHZGMDY-CYBMUJFWSA-N -1 3 356.245 2.624 50 0 FFAAHM O=C(NCCc1ccc(Br)s1)c1ccc2n[n-]nc2c1 ZINC000024031827 507384866 /nfs/dbraw/zinc/38/48/66/507384866.db2.gz PZPGZERDBXPPKQ-UHFFFAOYSA-N -1 3 351.229 2.754 50 0 FFAAHM [O-]c1ccccc1C(=S)N1CCN(C(=S)c2ccccc2O)CC1 ZINC000002312112 506275690 /nfs/dbraw/zinc/27/56/90/506275690.db2.gz LGTSXRPGGWMJOR-UHFFFAOYSA-N -1 3 358.488 2.767 50 0 FFAAHM O=C([O-])[C@@H](CC(=O)c1ccc(Br)cc1)NCc1ccco1 ZINC000002570977 506283115 /nfs/dbraw/zinc/28/31/15/506283115.db2.gz QPXIVWUVOGFUOP-CYBMUJFWSA-N -1 3 352.184 2.858 50 0 FFAAHM COC(=O)[C@@]([O-])(CC(=O)Nc1ccccc1C(F)(F)F)C(F)(F)F ZINC000002766913 506291330 /nfs/dbraw/zinc/29/13/30/506291330.db2.gz PZHAHZUTPOBPBA-NSHDSACASA-N -1 3 359.222 2.500 50 0 FFAAHM CCCOC(=O)NCCOC(=O)N([O-])c1ccc(Br)cc1 ZINC000003117688 506311074 /nfs/dbraw/zinc/31/10/74/506311074.db2.gz CUJIIMLTUXCWEL-UHFFFAOYSA-N -1 3 361.192 2.918 50 0 FFAAHM CCOCCC[N-]S(=O)(=O)c1cc(Br)ccc1OCC ZINC000003334965 506322395 /nfs/dbraw/zinc/32/23/95/506322395.db2.gz GLQJBVVTZHDNMF-UHFFFAOYSA-N -1 3 366.277 2.553 50 0 FFAAHM COc1ccc(NC(=O)[C@@H]([N-]S(=O)(=O)c2cccs2)C(C)C)cc1 ZINC000003907477 506352950 /nfs/dbraw/zinc/35/29/50/506352950.db2.gz ZYDSFZIIAHEFFX-HNNXBMFYSA-N -1 3 368.480 2.698 50 0 FFAAHM C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CC[C@H]1NC(=O)[N-]C1=O ZINC000036395449 506404740 /nfs/dbraw/zinc/40/47/40/506404740.db2.gz ZIYBCIONPKZPIK-QPUJVOFHSA-N -1 3 358.225 2.501 50 0 FFAAHM COc1ccc(S(=O)(=O)[N-]c2cc(C)ccc2F)cc1NC(C)=O ZINC000005127052 506424228 /nfs/dbraw/zinc/42/42/28/506424228.db2.gz PNGUBFYSGCTQPU-UHFFFAOYSA-N -1 3 352.387 2.902 50 0 FFAAHM CC1=C[C@@]([O-])(C(F)(F)F)N(C(=O)CSCc2ccccc2F)N1 ZINC000006394239 506481170 /nfs/dbraw/zinc/48/11/70/506481170.db2.gz HPBSYYHQRWWLMK-CYBMUJFWSA-N -1 3 350.337 2.918 50 0 FFAAHM CC1=C[C@]([O-])(C(F)(F)F)N(S(=O)(=O)c2ccc3ccccc3c2)N1 ZINC000006849509 506512004 /nfs/dbraw/zinc/51/20/04/506512004.db2.gz IWNPSUVFIYBAKM-AWEZNQCLSA-N -1 3 358.341 2.861 50 0 FFAAHM Cc1ccc([N-]S(=O)(=O)c2ccc3oc(=O)c4ncn(C)c4c3c2)cc1 ZINC000006887466 506514123 /nfs/dbraw/zinc/51/41/23/506514123.db2.gz RTVYPMOFKMVFDN-UHFFFAOYSA-N -1 3 369.402 2.789 50 0 FFAAHM CC(C)n1cnnc1S[C@@H](C)C(=O)c1ccc([N-]S(C)(=O)=O)cc1 ZINC000007025786 506525394 /nfs/dbraw/zinc/52/53/94/506525394.db2.gz MCASIPSGKWBQRU-NSHDSACASA-N -1 3 368.484 2.594 50 0 FFAAHM COCCn1c(C)cc(C(=O)CSc2n[n-]c([C@@H]3CCCO3)n2)c1C ZINC000008936884 506673842 /nfs/dbraw/zinc/67/38/42/506673842.db2.gz LILHNYWPBNIBPD-HNNXBMFYSA-N -1 3 364.471 2.696 50 0 FFAAHM O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)c2ccccc2[O-])CC1 ZINC000009477395 506697427 /nfs/dbraw/zinc/69/74/27/506697427.db2.gz WBXGVTVWDBCHLJ-UHFFFAOYSA-N -1 3 368.389 2.612 50 0 FFAAHM COc1ccc(Cl)cc1NC(=O)[C@H]1C=C([O-])NC(Nc2ccccc2)=N1 ZINC000009484122 506699124 /nfs/dbraw/zinc/69/91/24/506699124.db2.gz JQFHECFKVVBTSI-CQSZACIVSA-N -1 3 372.812 2.644 50 0 FFAAHM O=C([N-]c1nccs1)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000009514220 506700863 /nfs/dbraw/zinc/70/08/63/506700863.db2.gz GLJMKWNUTUQZGS-UHFFFAOYSA-N -1 3 357.482 2.632 50 0 FFAAHM Cc1ccc([C@@H](C[N-]S(=O)(=O)c2cc(F)ccc2F)N(C)C)cc1 ZINC000010090409 506727073 /nfs/dbraw/zinc/72/70/73/506727073.db2.gz UGRSBUSVPFFMOZ-MRXNPFEDSA-N -1 3 354.422 2.854 50 0 FFAAHM CCn1c2ccc([N-]S(=O)(=O)c3ccc(OC)cc3)cc2sc1=O ZINC000045960802 507053467 /nfs/dbraw/zinc/05/34/67/507053467.db2.gz KIOJHZFNSCJYKH-UHFFFAOYSA-N -1 3 364.448 2.892 50 0 FFAAHM C[C@]1(c2cccc(NC(=O)[C@H]3CCCc4ccccc43)c2)NC(=O)[N-]C1=O ZINC000047191135 507280384 /nfs/dbraw/zinc/28/03/84/507280384.db2.gz QMWRINJEHXAGLB-LAUBAEHRSA-N -1 3 363.417 2.800 50 0 FFAAHM CN(Cc1cccc(Cl)c1)C(=O)CCn1[n-]c(=O)c2ccccc2c1=O ZINC000025451845 507502787 /nfs/dbraw/zinc/50/27/87/507502787.db2.gz VUNRXHPDPAEOAQ-UHFFFAOYSA-N -1 3 371.824 2.804 50 0 FFAAHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCCN(C2CCCCCC2)C1 ZINC000072150847 507760240 /nfs/dbraw/zinc/76/02/40/507760240.db2.gz IEUOWOVFXYNBMC-OAHLLOKOSA-N -1 3 355.504 2.757 50 0 FFAAHM Cc1ccc([O-])c(C(=O)N2CCC3(CCC(=O)N(CC4CC4)C3)CC2)c1 ZINC000091440701 507985622 /nfs/dbraw/zinc/98/56/22/507985622.db2.gz FRHBWGDEHVQZLE-UHFFFAOYSA-N -1 3 356.466 2.955 50 0 FFAAHM COc1ccc(CN2CCC3(CC(=O)N(CC(C)C)C3)CC2)cc1C(=O)[O-] ZINC000091625065 507997052 /nfs/dbraw/zinc/99/70/52/507997052.db2.gz PXIXXMOYXJIZEP-UHFFFAOYSA-N -1 3 374.481 2.864 50 0 FFAAHM COc1ccc2cc([C@@H](C(=O)[O-])N3CCCN(C(C)=O)CC3)ccc2c1 ZINC000095353850 508173753 /nfs/dbraw/zinc/17/37/53/508173753.db2.gz VLOZHGNWBWJBJW-IBGZPJMESA-N -1 3 356.422 2.528 50 0 FFAAHM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCCN(Cc2ccncc2)CC1 ZINC000095360670 508176295 /nfs/dbraw/zinc/17/62/95/508176295.db2.gz LQCAKHXHYPFCHB-IBGZPJMESA-N -1 3 373.428 2.563 50 0 FFAAHM CO[C@H](C[N-]S(=O)(=O)c1ccc(Br)s1)c1ccco1 ZINC000206865678 509236530 /nfs/dbraw/zinc/23/65/30/509236530.db2.gz SGMLHAWSYKPKIG-SECBINFHSA-N -1 3 366.258 2.770 50 0 FFAAHM CCCCc1nc(C(=O)OCC)c(NC(=O)c2ccc(N(C)C)nc2)[n-]1 ZINC000191963284 509265760 /nfs/dbraw/zinc/26/57/60/509265760.db2.gz LXSFILBPUDXTSJ-UHFFFAOYSA-N -1 3 359.430 2.642 50 0 FFAAHM CCCCc1nc(NC(=O)c2ccc(N(C)C)nc2)c(C(=O)OCC)[n-]1 ZINC000191963284 509265765 /nfs/dbraw/zinc/26/57/65/509265765.db2.gz LXSFILBPUDXTSJ-UHFFFAOYSA-N -1 3 359.430 2.642 50 0 FFAAHM COc1ccc2c(c1)CCC[C@@H]2C[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000166825240 509616762 /nfs/dbraw/zinc/61/67/62/509616762.db2.gz PLOCTJOKYUHUMM-OAHLLOKOSA-N -1 3 363.483 2.871 50 0 FFAAHM Cc1cc(C)n(Cc2cccc(C(=O)N3Cc4nc(C)[n-]c(=O)c4C3)c2)n1 ZINC000240203834 509840125 /nfs/dbraw/zinc/84/01/25/509840125.db2.gz JTXFLIJDGBWFBJ-UHFFFAOYSA-N -1 3 363.421 2.508 50 0 FFAAHM CCN1CCN([C@@H]2CCN(C(=O)c3c([O-])cc(Cl)cc3Cl)C2)CC1 ZINC000175223831 510539578 /nfs/dbraw/zinc/53/95/78/510539578.db2.gz ZYPRILCOAWJROT-CYBMUJFWSA-N -1 3 372.296 2.551 50 0 FFAAHM CN1C[C@]2(CCN(C(=O)c3ccc(-c4cc(F)ccc4[O-])cc3)C2)OC1=O ZINC000426546036 513977075 /nfs/dbraw/zinc/97/70/75/513977075.db2.gz ANUFAHJDQHXMAX-FQEVSTJZSA-N -1 3 370.380 2.865 50 0 FFAAHM Cc1ccc2[nH]c(CCNC(=O)c3cc(C(C)(C)C)nc(=O)[n-]3)nc2c1 ZINC000299790630 534353559 /nfs/dbraw/zinc/35/35/59/534353559.db2.gz BXCMLFPWDOFFOB-UHFFFAOYSA-N -1 3 353.426 2.637 50 0 FFAAHM Cc1ccc2nc(CCNC(=O)c3cc(C(C)(C)C)nc(=O)[n-]3)[nH]c2c1 ZINC000299790630 534353565 /nfs/dbraw/zinc/35/35/65/534353565.db2.gz BXCMLFPWDOFFOB-UHFFFAOYSA-N -1 3 353.426 2.637 50 0 FFAAHM O=S(=O)([N-]C[C@H](c1ccco1)N1CCCCC1)c1ccccc1F ZINC000047031335 570878780 /nfs/dbraw/zinc/87/87/80/570878780.db2.gz ZQFVTBHGGLETPF-OAHLLOKOSA-N -1 3 352.431 2.924 50 0 FFAAHM O=C(Nc1ncccc1[O-])c1cnn(-c2ccc(Br)cc2)c1 ZINC000044948768 570903740 /nfs/dbraw/zinc/90/37/40/570903740.db2.gz AIXFWUQPNRDQDO-UHFFFAOYSA-N -1 3 359.183 2.988 50 0 FFAAHM Cc1nc([C@@H]2CCCN(Cc3cc4c(cc3Cl)OCO4)C2)cc(=O)[n-]1 ZINC000072145175 571173031 /nfs/dbraw/zinc/17/30/31/571173031.db2.gz AYOXAAMQFPZDCS-GFCCVEGCSA-N -1 3 361.829 2.840 50 0 FFAAHM CC(C)[C@H]([N-]S(=O)(=O)c1cccs1)C(=O)NCc1ccc(F)cc1 ZINC000008661369 571258793 /nfs/dbraw/zinc/25/87/93/571258793.db2.gz ZDCAOAIGHVZUIH-HNNXBMFYSA-N -1 3 370.471 2.507 50 0 FFAAHM Cc1cc(COc2ccccc2)oc1C(=O)NCCc1cc(=O)[n-]c(C)n1 ZINC000023337535 969234069 /nfs/dbraw/zinc/23/40/69/969234069.db2.gz OWCIYZDEUUMTEM-UHFFFAOYSA-N -1 3 367.405 2.531 50 0 FFAAHM O=C(c1ccccc1[O-])N1CCC[C@H]1C(=O)N1CCc2c1cccc2F ZINC000184298518 992714334 /nfs/dbraw/zinc/71/43/34/992714334.db2.gz ICUFSCHCIUGUPM-KRWDZBQOSA-N -1 3 354.381 2.725 50 0 FFAAHM O=C(c1cc(=O)c2ccccc2[n-]1)N(Cc1ccccn1)C[C@H]1CCCO1 ZINC000055413610 1018404013 /nfs/dbraw/zinc/40/40/13/1018404013.db2.gz JRCLCESOKJQHFE-MRXNPFEDSA-N -1 3 363.417 2.745 50 0 FFAAHM Cc1nc2c(c(=O)[n-]1)CCN(C(=O)[C@H](c1ccccc1)C1CCCC1)CC2 ZINC000215417737 222648086 /nfs/dbraw/zinc/64/80/86/222648086.db2.gz KDGMCSMCBUUAPZ-HXUWFJFHSA-N -1 3 365.477 2.980 50 0 FFAAHM COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC(C)C)cc(Cl)c1[O-] ZINC000001189627 219387666 /nfs/dbraw/zinc/38/76/66/219387666.db2.gz VTCOWANFFVHOAV-ZDUSSCGKSA-N -1 3 354.790 2.634 50 0 FFAAHM CCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cc(Cl)c([O-])c(OC)c1 ZINC000004189539 219553834 /nfs/dbraw/zinc/55/38/34/219553834.db2.gz HJWWOFVIQOFRPJ-ZDUSSCGKSA-N -1 3 354.790 2.635 50 0 FFAAHM CCN1CCOc2ccc([N-]S(=O)(=O)c3cc(C)ccc3C)cc2C1=O ZINC000009828218 219886269 /nfs/dbraw/zinc/88/62/69/219886269.db2.gz BMVAVSDJHQXUOK-UHFFFAOYSA-N -1 3 374.462 2.959 50 0 FFAAHM C[C@@H](CNC(=O)c1sccc1S(=O)(=O)[N-]C1CC1)c1ccccc1 ZINC000012776305 220028283 /nfs/dbraw/zinc/02/82/83/220028283.db2.gz PRXNDQYRYLQUOL-LBPRGKRZSA-N -1 3 364.492 2.722 50 0 FFAAHM O=C(CSc1cnnc(=O)[n-]1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000015831114 220166726 /nfs/dbraw/zinc/16/67/26/220166726.db2.gz GWOICDYOEQXXGM-UHFFFAOYSA-N -1 3 364.736 2.980 50 0 FFAAHM COc1cc([C@@H]2CC(=O)c3cc4c(=O)[nH]nc-4[n-]c3C2)cc(OC)c1OC ZINC000020086014 220312075 /nfs/dbraw/zinc/31/20/75/220312075.db2.gz FVXWVVMUPOUMKN-VIFPVBQESA-N -1 3 369.377 2.602 50 0 FFAAHM CS(=O)(=O)[N-]c1cccc(C(=O)OCCOc2ccc(Cl)cc2)c1 ZINC000021167153 220354080 /nfs/dbraw/zinc/35/40/80/220354080.db2.gz PCBSJSWWSVPYBD-UHFFFAOYSA-N -1 3 369.826 2.947 50 0 FFAAHM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([O-])c1 ZINC000029818360 220610540 /nfs/dbraw/zinc/61/05/40/220610540.db2.gz XXQDUKGXLKTEEU-UHFFFAOYSA-N -1 3 358.825 2.952 50 0 FFAAHM CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C)cc1[O-] ZINC000045574495 220972558 /nfs/dbraw/zinc/97/25/58/220972558.db2.gz HLCLTCYFHFBGKF-SFHVURJKSA-N -1 3 351.406 2.868 50 0 FFAAHM CCOC(=O)Cc1csc([N-]C(=O)c2cc(-c3cccnc3)on2)n1 ZINC000048248220 221002798 /nfs/dbraw/zinc/00/27/98/221002798.db2.gz HSFGJJNPNIGZRB-UHFFFAOYSA-N -1 3 358.379 2.551 50 0 FFAAHM Cc1nc(COc2ccc(/C=C3\C(=O)[N-]C(=O)c4ccccc43)cc2)no1 ZINC000058201714 221105966 /nfs/dbraw/zinc/10/59/66/221105966.db2.gz KONGBPYDOIHQSD-YVLHZVERSA-N -1 3 361.357 2.768 50 0 FFAAHM COc1ccccc1N1CC[C@@H](C[N-]S(=O)(=O)c2cccs2)C1 ZINC000058225096 221109627 /nfs/dbraw/zinc/10/96/27/221109627.db2.gz MAZBCMUUGSBNCW-ZDUSSCGKSA-N -1 3 352.481 2.562 50 0 FFAAHM Cc1ccc(S(=O)(=O)[N-]c2cc3c(cc2Cl)n(C)c(=O)n3C)cc1 ZINC000064591812 221149345 /nfs/dbraw/zinc/14/93/45/221149345.db2.gz HBJLTRFGVLNRDT-UHFFFAOYSA-N -1 3 365.842 2.640 50 0 FFAAHM Cc1ccc([O-])c(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)c1 ZINC000067932698 221305029 /nfs/dbraw/zinc/30/50/29/221305029.db2.gz YIDCQUSJHMPSKR-QGZVFWFLSA-N -1 3 368.433 2.539 50 0 FFAAHM O=C(NCc1cccnc1Oc1ccccc1)c1ccccc1-c1nnn[n-]1 ZINC000067965611 221309256 /nfs/dbraw/zinc/30/92/56/221309256.db2.gz COHBPQUZCUCMNK-UHFFFAOYSA-N -1 3 372.388 2.984 50 0 FFAAHM O=C(NCc1cccnc1Oc1ccccc1)c1ccccc1-c1nn[n-]n1 ZINC000067965611 221309257 /nfs/dbraw/zinc/30/92/57/221309257.db2.gz COHBPQUZCUCMNK-UHFFFAOYSA-N -1 3 372.388 2.984 50 0 FFAAHM Cc1nc(S(=O)(=O)[N-]Cc2ccc3[nH]c4c(c3c2)CCCC4)cn1C ZINC000071760990 221368200 /nfs/dbraw/zinc/36/82/00/221368200.db2.gz AKHSGYJLKIVNEL-UHFFFAOYSA-N -1 3 358.467 2.567 50 0 FFAAHM O=C(c1ccc(N2CC(=O)[N-]C2=O)cc1)N1CCCC[C@H]1c1ccccn1 ZINC000072421350 221509133 /nfs/dbraw/zinc/50/91/33/221509133.db2.gz VZOZSOSXJMYOLY-KRWDZBQOSA-N -1 3 364.405 2.505 50 0 FFAAHM COc1cccc(C(=O)N2CCN(c3cccc(Cl)c3)C(=O)C2)c1[O-] ZINC000077406011 132183290 /nfs/dbraw/zinc/18/32/90/132183290.db2.gz RMHDJGXEWDQICP-UHFFFAOYSA-N -1 3 360.797 2.543 50 0 FFAAHM Cc1n[nH]c(C2CCN(c3cc(C)nc(-c4ccccc4[O-])n3)CC2)n1 ZINC000092028492 132205691 /nfs/dbraw/zinc/20/56/91/132205691.db2.gz VMILIVYDATUHAT-UHFFFAOYSA-N -1 3 350.426 2.968 50 0 FFAAHM Cc1nnc(C2CCN(c3cc(C)nc(-c4ccccc4[O-])n3)CC2)[nH]1 ZINC000092028492 132205692 /nfs/dbraw/zinc/20/56/92/132205692.db2.gz VMILIVYDATUHAT-UHFFFAOYSA-N -1 3 350.426 2.968 50 0 FFAAHM Cc1cc(C(=O)N2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)ccc1[O-] ZINC000072166414 136143463 /nfs/dbraw/zinc/14/34/63/136143463.db2.gz COYBIQPEBDNDLL-GOSISDBHSA-N -1 3 366.465 2.869 50 0 FFAAHM CC1=Nc2c(c(=O)[n-]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccnn2C)S1 ZINC000096116929 222032170 /nfs/dbraw/zinc/03/21/70/222032170.db2.gz MWQUDSWGKJPMOG-SMDDNHRTSA-N -1 3 361.471 2.926 50 0 FFAAHM O=c1[n-]n(C2CCSCC2)c2c1[C@H](c1cccnc1)SCC(=O)N2 ZINC000096118080 222032269 /nfs/dbraw/zinc/03/22/69/222032269.db2.gz AMOHRZBMNFDJRW-AWEZNQCLSA-N -1 3 362.480 2.827 50 0 FFAAHM Cc1cc(NCCNC(=O)c2ccc([O-])cc2)ncc1Br ZINC000097022073 222152821 /nfs/dbraw/zinc/15/28/21/222152821.db2.gz QQSVCWYCXJQWNV-UHFFFAOYSA-N -1 3 350.216 2.700 50 0 FFAAHM CC(=O)c1[n-]n(-c2ccccc2)c2c(O)n(-c3cccc(Cl)c3)c(=O)c1-2 ZINC000100563701 222246644 /nfs/dbraw/zinc/24/66/44/222246644.db2.gz IAZHVPYUXPUGMK-DOTOQJQBSA-N -1 3 367.792 2.663 50 0 FFAAHM CCCc1cc(=O)n2nc(NCc3ccc(Br)cc3)[n-]c2n1 ZINC000101644511 222279024 /nfs/dbraw/zinc/27/90/24/222279024.db2.gz XWQCDOISHBZRCV-UHFFFAOYSA-N -1 3 362.231 2.745 50 0 in-vitro FFAAHM COC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1Cl ZINC000001120627 263142791 /nfs/dbraw/zinc/14/27/91/263142791.db2.gz HAKPSQWAYMZAMY-UHFFFAOYSA-N -1 3 373.789 2.832 50 0 FFAAHM Cc1cc(C)cc(S(=O)(=O)[N-]c2cc3[nH]c(=O)[nH]c3cc2Cl)c1 ZINC000035506209 506385781 /nfs/dbraw/zinc/38/57/81/506385781.db2.gz YEBZIEORFXKRHO-UHFFFAOYSA-N -1 3 351.815 2.927 50 0 FFAAHM CC(C)c1ccc([N-]S(=O)(=O)CC2=NC(=O)n3cccc3C2=O)cc1 ZINC000032611917 506270749 /nfs/dbraw/zinc/27/07/49/506270749.db2.gz WVUZWYOZOULMAG-UHFFFAOYSA-N -1 3 359.407 2.659 50 0 FFAAHM CCOC(=O)C(=Cc1cc(Br)c([O-])c(OC)c1)C(=O)OCC ZINC000002776515 506291880 /nfs/dbraw/zinc/29/18/80/506291880.db2.gz FKCLOFPHUALOIO-UHFFFAOYSA-N -1 3 373.199 2.673 50 0 FFAAHM CCCNC(=O)C[C@@H]([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccco1 ZINC000002938579 506303828 /nfs/dbraw/zinc/30/38/28/506303828.db2.gz CDGYTFLYAFTUJX-CQSZACIVSA-N -1 3 370.858 2.869 50 0 FFAAHM O=C(CSc1nnc(-c2ccco2)[n-]1)Nc1ccc2c(c1)OCCO2 ZINC000032873560 506304906 /nfs/dbraw/zinc/30/49/06/506304906.db2.gz PALDQXNIRFCUDQ-UHFFFAOYSA-N -1 3 358.379 2.567 50 0 FFAAHM O=C(CSc1nc(-c2ccco2)n[n-]1)Nc1ccc2c(c1)OCCO2 ZINC000032873560 506304913 /nfs/dbraw/zinc/30/49/13/506304913.db2.gz PALDQXNIRFCUDQ-UHFFFAOYSA-N -1 3 358.379 2.567 50 0 FFAAHM O=C(CSc1n[n-]c(-c2ccco2)n1)Nc1ccc2c(c1)OCCO2 ZINC000032873560 506304919 /nfs/dbraw/zinc/30/49/19/506304919.db2.gz PALDQXNIRFCUDQ-UHFFFAOYSA-N -1 3 358.379 2.567 50 0 FFAAHM CCOC(=O)C(=C([O-])c1ccncc1)[C@@H](C(=O)OCC)c1ccccc1 ZINC000003130212 506311571 /nfs/dbraw/zinc/31/15/71/506311571.db2.gz MGKGXPHYXFHGHM-DLBZAZTESA-N -1 3 355.390 2.791 50 0 FFAAHM CCNC(=O)NC(=O)[C@H](C)Sc1nnc([N-]c2ccccc2F)s1 ZINC000003521480 506339652 /nfs/dbraw/zinc/33/96/52/506339652.db2.gz QCGNBWNLRBKTSL-QMMMGPOBSA-N -1 3 369.447 2.747 50 0 FFAAHM C[C@H](CNC(=O)C=C1[N-]S(=O)(=O)c2ccccc2N1)c1ccccc1 ZINC000033249480 506351641 /nfs/dbraw/zinc/35/16/41/506351641.db2.gz QPTWVZFJBNCGFX-CYBMUJFWSA-N -1 3 357.435 2.509 50 0 FFAAHM Cc1ccc(S(=O)(=O)N2NC3=C(CCCC3)[C@@]2([O-])C(F)(F)F)cc1 ZINC000004199235 506363537 /nfs/dbraw/zinc/36/35/37/506363537.db2.gz FZNXBYJDVXYNJA-TZMCWYRMSA-N -1 3 362.373 2.796 50 0 FFAAHM Cc1ccc(=O)n(C(C(=O)NC2CCCC2)=C([O-])c2ccc(F)cc2)c1 ZINC000004698752 506388613 /nfs/dbraw/zinc/38/86/13/506388613.db2.gz LJAWQHXNCDNYAP-GOSISDBHSA-N -1 3 356.397 2.779 50 0 FFAAHM O=C1CCc2cc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc3c2N1CC3 ZINC000005153518 506425570 /nfs/dbraw/zinc/42/55/70/506425570.db2.gz RRUFWRXLKWLBNG-UHFFFAOYSA-N -1 3 364.373 2.601 50 0 FFAAHM COc1ccc(CC(=O)N2NC(C(C)C)=C[C@@]2([O-])C(F)(F)F)cc1OC ZINC000006305687 506476404 /nfs/dbraw/zinc/47/64/04/506476404.db2.gz PKSPKKIESFBMLT-MRXNPFEDSA-N -1 3 374.359 2.742 50 0 FFAAHM Cc1ccc(NC(=O)CN2C(=O)N[C@]3(C[C@H](C)CC(C)(C)C3)C2=O)c([O-])c1 ZINC000009365577 506692808 /nfs/dbraw/zinc/69/28/08/506692808.db2.gz LMNSQSACBDIGKJ-XCLFUZPHSA-N -1 3 373.453 2.776 50 0 FFAAHM Cc1cc(C)c(S(=O)(=O)[N-]c2ccc3c(c2)C(=O)N(C)CCO3)cc1C ZINC000009828174 506712579 /nfs/dbraw/zinc/71/25/79/506712579.db2.gz RZZJKWQIFKYKSG-UHFFFAOYSA-N -1 3 374.462 2.877 50 0 FFAAHM Cc1cc(=O)[n-]c(N2CCN(C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000018219575 507146845 /nfs/dbraw/zinc/14/68/45/507146845.db2.gz ZMNJUNYZMKJBBG-UHFFFAOYSA-N -1 3 360.461 2.990 50 0 FFAAHM CCOC(=O)c1c(C)oc2nc(CN3CCc4sccc4C3)[n-]c(=O)c21 ZINC000021419127 507253812 /nfs/dbraw/zinc/25/38/12/507253812.db2.gz FJOBWIQISTUXLV-UHFFFAOYSA-N -1 3 373.434 2.621 50 0 FFAAHM O=S(=O)([N-]CCc1ccc2c(c1)OCO2)c1ccccc1C(F)(F)F ZINC000023330646 507347210 /nfs/dbraw/zinc/34/72/10/507347210.db2.gz IKRUCBFCDXOWNW-UHFFFAOYSA-N -1 3 373.352 2.955 50 0 FFAAHM CC(C)(C)c1ncc(C(=O)N2CCOc3ccc(Cl)cc3C2)c(=O)[n-]1 ZINC000091655813 507999628 /nfs/dbraw/zinc/99/96/28/507999628.db2.gz PIXFJQWOPJQKSP-UHFFFAOYSA-N -1 3 361.829 2.756 50 0 FFAAHM COc1ccccc1[C@@H]1CN(Cc2nc(C)n3ccccc23)C[C@H]1C(=O)[O-] ZINC000091650530 507999830 /nfs/dbraw/zinc/99/98/30/507999830.db2.gz CAHIYMCWPVOOBQ-DLBZAZTESA-N -1 3 365.433 2.952 50 0 FFAAHM COc1ccc(CN2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)c(OC)c1C ZINC000092037557 508035772 /nfs/dbraw/zinc/03/57/72/508035772.db2.gz CVGZEGVWGSLBLD-DLBZAZTESA-N -1 3 356.422 2.707 50 0 FFAAHM COc1ccc(C)cc1[C@H](C(=O)[O-])N1CCCN(Cc2ccccn2)CC1 ZINC000095369951 508178378 /nfs/dbraw/zinc/17/83/78/508178378.db2.gz BEWCPNRIYCSCRA-HXUWFJFHSA-N -1 3 369.465 2.732 50 0 FFAAHM Cc1c2cc(C)ccc2oc1CN1CCC2(CC1)[C@H](C(=O)[O-])CC(=O)N2C ZINC000095374064 508178748 /nfs/dbraw/zinc/17/87/48/508178748.db2.gz AQOLPJMTLCPUEF-INIZCTEOSA-N -1 3 370.449 2.947 50 0 FFAAHM COc1ccccc1-c1nc([N-]C(=O)c2csc(NC3CC3)n2)n[nH]1 ZINC000095473875 508188515 /nfs/dbraw/zinc/18/85/15/508188515.db2.gz WFPVYLXCDLZYOL-UHFFFAOYSA-N -1 3 356.411 2.763 50 0 FFAAHM COc1cc(C(=O)N2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)ccc1[O-] ZINC000077356311 508305233 /nfs/dbraw/zinc/30/52/33/508305233.db2.gz RIFPGQAFOPVXJR-OAQYLSRUSA-N -1 3 372.465 2.656 50 0 FFAAHM COCCCN1C[C@@]2(CCCN(C(=O)c3cccc(C)c3[O-])C2)CCC1=O ZINC000077407295 508311719 /nfs/dbraw/zinc/31/17/19/508311719.db2.gz AMTXEZIDQADLMX-OAQYLSRUSA-N -1 3 374.481 2.582 50 0 FFAAHM Cc1cc(C(=O)N2CCC[C@H](c3cc(=O)[n-]cn3)C2)c2ccc(F)cc2n1 ZINC000085532968 508311873 /nfs/dbraw/zinc/31/18/73/508311873.db2.gz GKDNZKOVIDNEOT-ZDUSSCGKSA-N -1 3 366.396 2.785 50 0 FFAAHM CCN1CCC[C@H]1CNC(=O)c1ccc(-c2cc(C(=O)[O-])ccn2)cc1 ZINC000426550366 513977175 /nfs/dbraw/zinc/97/71/75/513977175.db2.gz FXAZCHDNXGPEHD-KRWDZBQOSA-N -1 3 353.422 2.661 50 0 FFAAHM Cc1cc(S(=O)(=O)[N-]C[C@H](CO)Cc2ccco2)c(Cl)cc1F ZINC000535142986 518158039 /nfs/dbraw/zinc/15/80/39/518158039.db2.gz OYIAOZONCLFXCK-LLVKDONJSA-N -1 3 361.822 2.510 50 0 FFAAHM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2nc(-c3ccccc3)cc(=O)[n-]2)C1 ZINC000067172891 534894102 /nfs/dbraw/zinc/89/41/02/534894102.db2.gz FKMUNOXLKDYFHT-OAHLLOKOSA-N -1 3 370.453 2.930 50 0 FFAAHM O=C(CC1CCCC1)N1CCCC[C@@H]([N-]S(=O)(=O)c2cccs2)C1 ZINC000082097930 526353767 /nfs/dbraw/zinc/35/37/67/526353767.db2.gz XVEWUYKYFGMRID-OAHLLOKOSA-N -1 3 370.540 2.988 50 0 FFAAHM Cc1nc([C@H]2CCCN(C(=O)COc3ccc(Cl)cc3)C2)cc(=O)[n-]1 ZINC000082161786 527074595 /nfs/dbraw/zinc/07/45/95/527074595.db2.gz DGNJZBNLBGWBSP-ZDUSSCGKSA-N -1 3 361.829 2.517 50 0 FFAAHM Cc1ncc(C(=O)N(C[C@H](O)c2ccccc2)C2CCCCC2)c(=O)[n-]1 ZINC000091390754 527224583 /nfs/dbraw/zinc/22/45/83/527224583.db2.gz ZHEKJPPIHXBUCU-SFHVURJKSA-N -1 3 355.438 2.587 50 0 FFAAHM O=C(CC[N-]S(=O)(=O)c1cccs1)N1CCC[C@H]1c1ccsc1 ZINC000046911827 570876571 /nfs/dbraw/zinc/87/65/71/570876571.db2.gz JAWFIXGWOQWGHY-ZDUSSCGKSA-N -1 3 370.521 2.842 50 0 FFAAHM CCSc1nc2c(c(=O)[n-]1)C(C(=O)Nc1cc(C)cc(C)c1)CC(=O)N2 ZINC000046073938 570923508 /nfs/dbraw/zinc/92/35/08/570923508.db2.gz VXRWUUJFMYXYTK-GFCCVEGCSA-N -1 3 372.450 2.563 50 0 FFAAHM CSc1cccc(C(=O)NC2CCN(c3nc(C)cc(=O)[n-]3)CC2)c1 ZINC000238819832 571261547 /nfs/dbraw/zinc/26/15/47/571261547.db2.gz CJLPSMBUCXYEFM-UHFFFAOYSA-N -1 3 358.467 2.611 50 0 FFAAHM Cc1nc(S(=O)(=O)[N-]CCc2ccc(OCCC(C)C)cc2)cn1C ZINC000670446501 571350795 /nfs/dbraw/zinc/35/07/95/571350795.db2.gz ASEVYKBIYIXOLT-UHFFFAOYSA-N -1 3 365.499 2.674 50 0 FFAAHM