smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])/C=C/c1cnc(/C=C/c2ccc(N3CCOCC3)c(F)c2)s1 ZINC000079943529 700307102 /nfs/dbraw/zinc/30/71/02/700307102.db2.gz AQCKMNHWJNHMMB-BUSIMMOISA-N -1 0 360.410 3.387 50 0 FGAARM CNC(=O)[C@@H]1CCCc2sc(/C=C\c3cc(C(=O)[O-])ccc3F)nc21 ZINC000630950380 716535501 /nfs/dbraw/zinc/53/55/01/716535501.db2.gz FACPQKFLZWPVCO-XYLWRLHESA-N -1 0 360.410 3.317 50 0 FGAARM CCOc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc(Cl)c1OC ZINC000013170968 203855746 /nfs/dbraw/zinc/85/57/46/203855746.db2.gz FWYIJTASVCSZDU-YBJDMEARSA-N -1 0 367.829 3.084 50 0 FGAARM Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(C(=O)[O-])c1)C(C)C ZINC000009048740 203933000 /nfs/dbraw/zinc/93/30/00/203933000.db2.gz USPUVIZZEFMMMA-QGZVFWFLSA-N -1 0 354.406 3.086 50 0 FGAARM Cc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)c(Br)c1 ZINC000000622598 203935102 /nfs/dbraw/zinc/93/51/02/203935102.db2.gz FRFDPIMFGQLNBY-UHFFFAOYSA-N -1 0 364.195 3.473 50 0 FGAARM O=C([O-])CCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 ZINC000000830903 203955235 /nfs/dbraw/zinc/95/52/35/203955235.db2.gz MZQNQVMSLLVKRU-UHFFFAOYSA-N -1 0 355.213 3.376 50 0 FGAARM C[C@@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000002460286 204039997 /nfs/dbraw/zinc/03/99/97/204039997.db2.gz BABVOYVNPHLJJO-CYBMUJFWSA-N -1 0 364.492 3.421 50 0 FGAARM CCOc1ccc(NCCC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1 ZINC000001441083 204006461 /nfs/dbraw/zinc/00/64/61/204006461.db2.gz JVFFBNSGBXZISJ-UHFFFAOYSA-N -1 0 362.451 3.142 50 0 FGAARM Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(=S)n(N)c(=O)c12 ZINC000003018531 204074938 /nfs/dbraw/zinc/07/49/38/204074938.db2.gz VVVGKJXGJUJFHP-UHFFFAOYSA-N -1 0 360.464 3.012 50 0 FGAARM O=S(=O)([N-]c1cnn(Cc2ccc(Cl)cc2)c1)c1cccs1 ZINC000002778222 204057498 /nfs/dbraw/zinc/05/74/98/204057498.db2.gz LTELRBAJJHEJEZ-UHFFFAOYSA-N -1 0 353.856 3.447 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2cccc3ccccc32)c(C)c1 ZINC000002868881 204064298 /nfs/dbraw/zinc/06/42/98/204064298.db2.gz XUQKEZBAUFWSTP-UHFFFAOYSA-N -1 0 369.442 3.341 50 0 FGAARM COc1ccc(NC(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])c(OC)c1 ZINC000003660269 204110413 /nfs/dbraw/zinc/11/04/13/204110413.db2.gz GEHFMYUELLGRIK-UHFFFAOYSA-N -1 0 368.389 3.075 50 0 FGAARM CC(C)COC(=O)c1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004157331 204125261 /nfs/dbraw/zinc/12/52/61/204125261.db2.gz QMONODGLYWIECW-WTTBNOFXSA-N -1 0 359.422 3.185 50 0 FGAARM O=C1c2ccccc2NC2(CCCCC2)N1[N-]S(=O)(=O)c1ccccc1 ZINC000003641466 204109392 /nfs/dbraw/zinc/10/93/92/204109392.db2.gz PYZMDQZYYHSVFF-UHFFFAOYSA-N -1 0 371.462 3.108 50 0 FGAARM O=C([O-])c1cc(NC=C2N=C(c3ccc(Cl)cc3)OC2=O)ccc1O ZINC000004644687 204151668 /nfs/dbraw/zinc/15/16/68/204151668.db2.gz HBKVIAJZCYSMPL-MDWZMJQESA-N -1 0 358.737 3.001 50 0 FGAARM O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2F)ccc1Cl ZINC000004673333 204153292 /nfs/dbraw/zinc/15/32/92/204153292.db2.gz POAYHIVZHUUYJH-UHFFFAOYSA-N -1 0 352.774 3.304 50 0 FGAARM O=C([O-])c1cc(O)ccc1NC(=O)Cc1ccc(Br)cc1 ZINC000004825517 204167146 /nfs/dbraw/zinc/16/71/46/204167146.db2.gz IWXLXGCGNKBKPY-UHFFFAOYSA-N -1 0 350.168 3.034 50 0 FGAARM O=C([O-])CCn1nc(-c2ccc(F)cc2)cc(Cc2ccccc2)c1=O ZINC000004324584 204132732 /nfs/dbraw/zinc/13/27/32/204132732.db2.gz CPINTQHFTDYCIN-UHFFFAOYSA-N -1 0 352.365 3.115 50 0 FGAARM CCCOc1c(I)cc(C(=O)[O-])cc1OCC ZINC000004419140 204138970 /nfs/dbraw/zinc/13/89/70/204138970.db2.gz SPKVRICYCNCTMC-UHFFFAOYSA-N -1 0 350.152 3.177 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000004483649 204141594 /nfs/dbraw/zinc/14/15/94/204141594.db2.gz DHEDDIDNORXNFE-DLBZAZTESA-N -1 0 368.824 3.396 50 0 FGAARM CCc1ccc([C@H]2[C@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000004563590 204147306 /nfs/dbraw/zinc/14/73/06/204147306.db2.gz VDRQEGUIDDYMLK-MOPGFXCFSA-N -1 0 369.417 3.261 50 0 FGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(C(F)(F)F)c2)cc1 ZINC000005600859 204216774 /nfs/dbraw/zinc/21/67/74/204216774.db2.gz SAKLXDBCTRRMSD-UHFFFAOYSA-N -1 0 373.352 3.294 50 0 FGAARM CCOC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCC2 ZINC000005021096 204184705 /nfs/dbraw/zinc/18/47/05/204184705.db2.gz SAKSIBBWJKPBGZ-UHFFFAOYSA-N -1 0 353.440 3.387 50 0 FGAARM O=C([O-])C[C@H]1Sc2nc3ccccc3n2[C@]1(O)c1ccc(Cl)cc1 ZINC000005117540 204193450 /nfs/dbraw/zinc/19/34/50/204193450.db2.gz JMBHHZBJVMEEAP-PBHICJAKSA-N -1 0 360.822 3.332 50 0 FGAARM Oc1ccccc1-c1nnc2c3cnn(-c4ccccc4Cl)c3ncn21 ZINC000005241773 204198683 /nfs/dbraw/zinc/19/86/83/204198683.db2.gz JVMBACMYIDTEAC-UHFFFAOYSA-N -1 0 362.780 3.489 50 0 FGAARM CC(C)NC(=S)n1cc(C(=O)c2cc(Cl)cc(Cl)c2[O-])cn1 ZINC000005867528 204228517 /nfs/dbraw/zinc/22/85/17/204228517.db2.gz KOCFAFPUTOWAJB-UHFFFAOYSA-N -1 0 358.250 3.258 50 0 FGAARM Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)o2)c1 ZINC000006504426 204250408 /nfs/dbraw/zinc/25/04/08/204250408.db2.gz FNXUDGQABIPBLT-UHFFFAOYSA-N -1 0 369.402 3.474 50 0 FGAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000006549628 204253836 /nfs/dbraw/zinc/25/38/36/204253836.db2.gz FWCXGLFKULHCDT-UHFFFAOYSA-N -1 0 374.393 3.150 50 0 FGAARM CC1(C)Cc2c(sc3nc(=O)n4nc(Cc5ccccc5)[n-]c4c23)CO1 ZINC000009481572 204369685 /nfs/dbraw/zinc/36/96/85/204369685.db2.gz JSJGFBWROONWJM-UHFFFAOYSA-N -1 0 366.446 3.074 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2cccc(CSC)c2)c1 ZINC000008745879 204343051 /nfs/dbraw/zinc/34/30/51/204343051.db2.gz NHKMKCUODBEHNR-UHFFFAOYSA-N -1 0 365.476 3.301 50 0 FGAARM CC(C)C[C@@H](NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)C(=O)[O-] ZINC000036579870 204381245 /nfs/dbraw/zinc/38/12/45/204381245.db2.gz ASXJIXDRLXLWJP-OAHLLOKOSA-N -1 0 363.845 3.388 50 0 FGAARM COc1ccc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)cc1OC ZINC000012993159 204516821 /nfs/dbraw/zinc/51/68/21/204516821.db2.gz GLZLVWPKZOJOBN-KPKJPENVSA-N -1 0 355.390 3.373 50 0 FGAARM Cc1cc2c(c(=O)[nH]1)[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000085877956 205176739 /nfs/dbraw/zinc/17/67/39/205176739.db2.gz LSAQHUMDVCGBNH-ZDUSSCGKSA-N -1 0 365.341 3.083 50 0 FGAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)n(C)c(C)c1-c1nnc(C)o1 ZINC000065194065 205323209 /nfs/dbraw/zinc/32/32/09/205323209.db2.gz JNGATXDZOLHSPG-UHFFFAOYSA-N -1 0 374.466 3.364 50 0 FGAARM C[C@H](c1ccccc1F)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000065493195 205355400 /nfs/dbraw/zinc/35/54/00/205355400.db2.gz WNXHOYZZKOWPPU-SNVBAGLBSA-N -1 0 357.410 3.184 50 0 FGAARM C[C@H](CCn1cccn1)n1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000065373305 205340680 /nfs/dbraw/zinc/34/06/80/205340680.db2.gz UHQXXKVEXLNOHB-CQSZACIVSA-N -1 0 353.378 3.187 50 0 FGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@@H](C)S3)c1 ZINC000015730425 220162720 /nfs/dbraw/zinc/16/27/20/220162720.db2.gz ZGXSMQCSQXFNAH-LLVKDONJSA-N -1 0 363.464 3.014 50 0 FGAARM CC(C)c1nc(CN(C)c2nccc(-c3cc(C(=O)[O-])ccn3)n2)cs1 ZINC000077458543 205603074 /nfs/dbraw/zinc/60/30/74/205603074.db2.gz VBHAEJUQZKQQPM-UHFFFAOYSA-N -1 0 369.450 3.453 50 0 FGAARM Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237759732 206108894 /nfs/dbraw/zinc/10/88/94/206108894.db2.gz SPNCHVLCPFNZQU-CQSZACIVSA-N -1 0 374.462 3.051 50 0 FGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000237656203 206107819 /nfs/dbraw/zinc/10/78/19/206107819.db2.gz YOULBTTXGWKIRK-HNNXBMFYSA-N -1 0 352.184 3.132 50 0 FGAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238103324 206113100 /nfs/dbraw/zinc/11/31/00/206113100.db2.gz AJTZUPNFPJGTOY-CHWSQXEVSA-N -1 0 372.248 3.189 50 0 FGAARM C[C@@](CC(=O)[O-])(C(=O)Nc1cccc(-n2ccnn2)c1)C1CCCCC1 ZINC000128437697 206123947 /nfs/dbraw/zinc/12/39/47/206123947.db2.gz MZZJNGOAMXVOFN-IBGZPJMESA-N -1 0 356.426 3.267 50 0 FGAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)nn1C(C)(C)C ZINC000237846832 206109317 /nfs/dbraw/zinc/10/93/17/206109317.db2.gz AHCDGAJVDJIABI-UHFFFAOYSA-N -1 0 369.465 3.205 50 0 FGAARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)C2CCCCC2)cc1 ZINC000000852521 206135428 /nfs/dbraw/zinc/13/54/28/206135428.db2.gz QRLNLSVDNYWQLY-UHFFFAOYSA-N -1 0 366.483 3.056 50 0 FGAARM Cc1cc2oc(-c3cc(C(=O)[O-])cc4c3OCOC4)c(O)c(=O)c2cc1C ZINC000004023814 206163745 /nfs/dbraw/zinc/16/37/45/206163745.db2.gz RNVLONIMDKASPP-UHFFFAOYSA-N -1 0 368.341 3.347 50 0 FGAARM C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1 ZINC000003313238 206233503 /nfs/dbraw/zinc/23/35/03/206233503.db2.gz WOOCRVONSOARGW-SNVBAGLBSA-N -1 0 351.811 3.178 50 0 FGAARM O=C(CSC1=Nc2ccc(Cl)cc2S(=O)(=O)[N-]1)c1ccccc1 ZINC000012361150 206290089 /nfs/dbraw/zinc/29/00/89/206290089.db2.gz WPQUOKRDXONCPM-UHFFFAOYSA-N -1 0 366.851 3.426 50 0 FGAARM CCc1cccc([N-]S(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2OC)c1 ZINC000013367551 206302105 /nfs/dbraw/zinc/30/21/05/206302105.db2.gz MDNUUSOSITUNTQ-CSKARUKUSA-N -1 0 361.419 3.156 50 0 FGAARM O=C(Nc1ccccc1)[C@@H]1CCCN(Cc2nc(=O)c3sccc3[n-]2)C1 ZINC000014159877 206309168 /nfs/dbraw/zinc/30/91/68/206309168.db2.gz UMUPGSJIMSMLFP-CYBMUJFWSA-N -1 0 368.462 3.248 50 0 FGAARM O=C([O-])CCc1ccc(-c2ncccc2C(=O)N2C[C@H]3CC[C@@H]2C3)cc1 ZINC000215901271 206352560 /nfs/dbraw/zinc/35/25/60/206352560.db2.gz JLHIFGRBGUNKTM-DOTOQJQBSA-N -1 0 350.418 3.390 50 0 FGAARM Cc1cc(C)n(C2CN(Cc3ccc(O[C@H](C)C(=O)[O-])c(Cl)c3)C2)n1 ZINC000216184027 206356790 /nfs/dbraw/zinc/35/67/90/206356790.db2.gz SJNOHWOFZVAZTE-CYBMUJFWSA-N -1 0 363.845 3.062 50 0 FGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc(Br)cc1 ZINC000035135234 220772744 /nfs/dbraw/zinc/77/27/44/220772744.db2.gz UVJIISQDDCKQAQ-BPNCWPANSA-N -1 0 352.228 3.293 50 0 FGAARM O=C([O-])c1cc(N2CCC(CCn3cccn3)CC2)nc2ccccc21 ZINC000096136114 132219868 /nfs/dbraw/zinc/21/98/68/132219868.db2.gz SHWSZEXOLQOJAF-UHFFFAOYSA-N -1 0 350.422 3.436 50 0 FGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)N(C(C)=O)CCC2 ZINC000005252354 132256564 /nfs/dbraw/zinc/25/65/64/132256564.db2.gz BDDBLIVRXUULGA-UHFFFAOYSA-N -1 0 374.462 3.104 50 0 FGAARM Cc1cc(/C=C2\C(=O)[N-]C(=S)N(c3ccc(C)c(Cl)c3)C2=O)c(C)[nH]1 ZINC000001151813 132380489 /nfs/dbraw/zinc/38/04/89/132380489.db2.gz PWGQVUBEJCWHCM-VGOFMYFVSA-N -1 0 373.865 3.425 50 0 FGAARM COc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])n2)cc1 ZINC000000649262 493767814 /nfs/dbraw/zinc/76/78/14/493767814.db2.gz IYQXHMUBGVNXLY-KGLIPLIRSA-N -1 0 358.419 3.424 50 0 FGAARM O=C(CCCCn1c(=O)c2sccc2[n-]c1=S)NC1CCCC1 ZINC000002925484 493825309 /nfs/dbraw/zinc/82/53/09/493825309.db2.gz QRGGHMPARQGDDD-UHFFFAOYSA-N -1 0 351.497 3.350 50 0 FGAARM Cc1ccc(-c2csc3c2[nH]c(N2CCC[C@@H](C(=O)[O-])C2)nc3=O)cc1 ZINC000049421367 493873245 /nfs/dbraw/zinc/87/32/45/493873245.db2.gz LNIDDYOTENEZNS-CYBMUJFWSA-N -1 0 369.446 3.261 50 0 FGAARM Cc1ccc(-c2csc3c2[nH]c(N2CCC[C@H](C(=O)[O-])C2)nc3=O)cc1 ZINC000049421366 493873701 /nfs/dbraw/zinc/87/37/01/493873701.db2.gz LNIDDYOTENEZNS-ZDUSSCGKSA-N -1 0 369.446 3.261 50 0 FGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(C)=O)CCC3)s1 ZINC000005136444 493915496 /nfs/dbraw/zinc/91/54/96/493915496.db2.gz PMWJZQIHPPYBJE-UHFFFAOYSA-N -1 0 364.492 3.410 50 0 FGAARM C[C@H]1CCCC[C@H]1N(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000031383034 493941063 /nfs/dbraw/zinc/94/10/63/493941063.db2.gz RBKYRMQYRWKIBL-XJKSGUPXSA-N -1 0 359.495 3.486 50 0 FGAARM CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1)c1ccccc1 ZINC000032144447 493976075 /nfs/dbraw/zinc/97/60/75/493976075.db2.gz YRLPNRUCAOIDIS-UHFFFAOYSA-N -1 0 367.430 3.159 50 0 FGAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc3c(c2)CCC3)ccc1Cl ZINC000032610499 494000148 /nfs/dbraw/zinc/00/01/48/494000148.db2.gz BDRBXKBJGCGXRT-UHFFFAOYSA-N -1 0 351.811 3.328 50 0 FGAARM CCCCN(C)c1ccc(C(=O)[O-])cc1NS(=O)(=O)c1ccccc1 ZINC000033253842 494054644 /nfs/dbraw/zinc/05/46/44/494054644.db2.gz LAEPBXGXIPHOAH-UHFFFAOYSA-N -1 0 362.451 3.422 50 0 FGAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccc(C)c(F)c1 ZINC000033266202 494055406 /nfs/dbraw/zinc/05/54/06/494055406.db2.gz ZMRPHKGLEREBJX-UHFFFAOYSA-N -1 0 358.377 3.182 50 0 FGAARM COc1cc(/C=C2\C(=O)Nc3ccc(Cl)cc32)ccc1OCC(=O)[O-] ZINC000033498897 494059898 /nfs/dbraw/zinc/05/98/98/494059898.db2.gz CNTZLSYHYFGSIZ-MLPAPPSSSA-N -1 0 359.765 3.305 50 0 FGAARM CC(C)c1nc(-c2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2)n[nH]1 ZINC000071287229 494090473 /nfs/dbraw/zinc/09/04/73/494090473.db2.gz GUIITVRIFMOYAW-UHFFFAOYSA-N -1 0 364.405 3.475 50 0 FGAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cc(NC(=O)C2CCC2)ccc1Cl ZINC000071285996 494091130 /nfs/dbraw/zinc/09/11/30/494091130.db2.gz LORPAHSQTIQCAL-KBPBESRZSA-N -1 0 364.829 3.374 50 0 FGAARM O=C(Nn1c(=S)[n-]nc1-c1ccco1)c1cccc(Br)c1 ZINC000009609165 494129271 /nfs/dbraw/zinc/12/92/71/494129271.db2.gz HDAWBEBCAZLEIH-UHFFFAOYSA-N -1 0 365.212 3.347 50 0 FGAARM COC(=O)[C@H](c1cccc(C)c1)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000072152358 494136037 /nfs/dbraw/zinc/13/60/37/494136037.db2.gz MHRUZKRHPXMSAC-KRWDZBQOSA-N -1 0 350.374 3.319 50 0 FGAARM O=C([O-])[C@]1(CC(=O)Nc2ccccc2)CC(c2ccccc2Cl)=NO1 ZINC000072403944 494164867 /nfs/dbraw/zinc/16/48/67/494164867.db2.gz CVADVDKEEYWKPU-GOSISDBHSA-N -1 0 358.781 3.317 50 0 FGAARM O=C([O-])c1csc(S(=O)(=O)Nc2ccccc2Br)c1 ZINC000012584944 494243958 /nfs/dbraw/zinc/24/39/58/494243958.db2.gz FZAFHJMUHVKWSN-UHFFFAOYSA-N -1 0 362.226 3.010 50 0 FGAARM O=C([O-])c1cccc(CSc2nnc(NC[C@H]3CCCO3)s2)c1 ZINC000012985752 494273786 /nfs/dbraw/zinc/27/37/86/494273786.db2.gz WNAXUMGQWNILJU-GFCCVEGCSA-N -1 0 351.453 3.120 50 0 FGAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000013267745 494283364 /nfs/dbraw/zinc/28/33/64/494283364.db2.gz NFZIVMSFSUECSS-QGZVFWFLSA-N -1 0 351.468 3.362 50 0 FGAARM Cc1c(C(=O)[O-])sc2[nH]c(COc3ccc(Cl)cc3)nc(=O)c12 ZINC000013276537 494283480 /nfs/dbraw/zinc/28/34/80/494283480.db2.gz QPYGJEQDWVWIQP-UHFFFAOYSA-N -1 0 350.783 3.224 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3nc(-n4cccc4)sc3c2)C1 ZINC000013732106 494295731 /nfs/dbraw/zinc/29/57/31/494295731.db2.gz IKHOKVYSKXMQFM-CYBMUJFWSA-N -1 0 355.419 3.024 50 0 FGAARM O=C([O-])[C@@H]1CS[C@H](c2cc(Br)c(Br)s2)N1 ZINC000013961492 494299091 /nfs/dbraw/zinc/29/90/91/494299091.db2.gz DYFPUYNDJFURLV-MHTLYPKNSA-N -1 0 373.091 3.061 50 0 FGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000014256765 494312603 /nfs/dbraw/zinc/31/26/03/494312603.db2.gz MKPZJIIRMZNJSV-UHFFFAOYSA-N -1 0 369.446 3.493 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cc(F)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000014632534 494322100 /nfs/dbraw/zinc/32/21/00/494322100.db2.gz DMTRTXTXRRTDRR-JQWIXIFHSA-N -1 0 359.781 3.321 50 0 FGAARM CCc1ccc(-n2nnc(C(=O)Nc3ccc(C(=O)[O-])cc3)c2C)cc1 ZINC000016578929 494394073 /nfs/dbraw/zinc/39/40/73/494394073.db2.gz LECTZBXNCVQJBT-UHFFFAOYSA-N -1 0 350.378 3.089 50 0 FGAARM CCc1cc(Br)ccc1[N-]S(=O)(=O)c1cnn(CC)c1 ZINC000017073890 494406958 /nfs/dbraw/zinc/40/69/58/494406958.db2.gz SJIZNVJVSMWDBK-UHFFFAOYSA-N -1 0 358.261 3.029 50 0 FGAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000017073184 494406825 /nfs/dbraw/zinc/40/68/25/494406825.db2.gz KCDXUJUGJXTRCV-NEPJUHHUSA-N -1 0 353.440 3.451 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@@H](C)CC3)cc1OC ZINC000017075602 494407594 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3.038 50 0 FGAARM O=C([O-])C1CCN(C(=O)c2cccc(COc3cccc(F)c3)c2)CC1 ZINC000238041999 497332289 /nfs/dbraw/zinc/33/22/89/497332289.db2.gz ODSBZOPMWGGCJQ-UHFFFAOYSA-N -1 0 357.381 3.342 50 0 FGAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000238083302 497337381 /nfs/dbraw/zinc/33/73/81/497337381.db2.gz RGVULHJXWAFDIQ-IRXDYDNUSA-N -1 0 373.474 3.494 50 0 FGAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1scnc1C1CC1 ZINC000190832729 497617465 /nfs/dbraw/zinc/61/74/65/497617465.db2.gz XWCWLLKAXXKFAC-UHFFFAOYSA-N -1 0 366.389 3.416 50 0 FGAARM O=C([O-])[C@@H](CC(F)F)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000263005622 497679130 /nfs/dbraw/zinc/67/91/30/497679130.db2.gz MSCGKSGRKFODSK-CQSZACIVSA-N -1 0 352.312 3.090 50 0 FGAARM CCOc1ccc(OCC)c(NC(=O)N2C[C@@H](C)C[C@H](C(=O)[O-])C2)c1 ZINC000263199617 497730554 /nfs/dbraw/zinc/73/05/54/497730554.db2.gz XAMHXYODSKEDIM-STQMWFEESA-N -1 0 350.415 3.059 50 0 FGAARM CCCOc1ccccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263505986 497792961 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FGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000272042780 526291263 /nfs/dbraw/zinc/29/12/63/526291263.db2.gz RMBBAPIPKMWMQL-NJAFHUGGSA-N -1 0 366.417 3.104 50 0 FGAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3cccs3)n(-c3ccccc3)n2)C1 ZINC000178267155 526326969 /nfs/dbraw/zinc/32/69/69/526326969.db2.gz QAHUNMQSPNXKAE-ZDUSSCGKSA-N -1 0 367.430 3.148 50 0 FGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000008962432 535712200 /nfs/dbraw/zinc/71/22/00/535712200.db2.gz QTKUPJWRFAVKHW-UHFFFAOYSA-N -1 0 374.462 3.104 50 0 FGAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl ZINC000102818507 570839437 /nfs/dbraw/zinc/83/94/37/570839437.db2.gz OCUHZCNOTJRCQH-GJZGRUSLSA-N -1 0 358.760 3.285 50 0 FGAARM CCCCc1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)n[nH]1 ZINC000084746830 571098730 /nfs/dbraw/zinc/09/87/30/571098730.db2.gz ICPZSZWEJXOEIW-UHFFFAOYSA-N -1 0 363.361 3.452 50 0 FGAARM O=C([O-])[C@@]1(F)CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C1 ZINC000685944977 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FGAARM COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000237316204 206100101 /nfs/dbraw/zinc/10/01/01/206100101.db2.gz RZJIQTTYWJZJPJ-ZIAGYGMSSA-N -1 0 361.344 3.092 50 0 FGAARM C[C@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000237616932 206105847 /nfs/dbraw/zinc/10/58/47/206105847.db2.gz OOMQWACAQFXJJQ-ZDUSSCGKSA-N -1 0 366.417 3.080 50 0 FGAARM Cc1oc(-c2ccsc2)nc1CC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237670689 206107579 /nfs/dbraw/zinc/10/75/79/206107579.db2.gz GSUGOKHAFVNIPQ-RCBQFDQVSA-N -1 0 374.462 3.498 50 0 FGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000237661636 206108081 /nfs/dbraw/zinc/10/80/81/206108081.db2.gz DPTPOAJPBFHXKD-MRXNPFEDSA-N -1 0 350.827 3.400 50 0 FGAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 ZINC000238031194 206112954 /nfs/dbraw/zinc/11/29/54/206112954.db2.gz UWBFCCGVBYHDNI-AWEZNQCLSA-N -1 0 362.813 3.393 50 0 FGAARM O=C([O-])[C@H]1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000238085294 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493876424 /nfs/dbraw/zinc/87/64/24/493876424.db2.gz QCNLOSMHEJHXBW-UHFFFAOYSA-N -1 0 356.422 3.232 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000004978113 493904879 /nfs/dbraw/zinc/90/48/79/493904879.db2.gz WCRTYYFEKHPBIQ-ZIAGYGMSSA-N -1 0 373.434 3.225 50 0 FGAARM CCCCCCNC(C)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000006160049 493952898 /nfs/dbraw/zinc/95/28/98/493952898.db2.gz RXRUVXPWELMJLY-NTCAYCPXSA-N -1 0 363.845 3.367 50 0 FGAARM Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(N(C)C)c(C(=O)[O-])c1 ZINC000032962261 494032747 /nfs/dbraw/zinc/03/27/47/494032747.db2.gz XMDKIQWDBBTZIB-UHFFFAOYSA-N -1 0 368.842 3.213 50 0 FGAARM COc1cccc(-c2cc(C(=O)NCCC(=O)[O-])c3ccccc3n2)c1 ZINC000071286539 494091062 /nfs/dbraw/zinc/09/10/62/494091062.db2.gz WGJQHQBLDSWWNK-UHFFFAOYSA-N -1 0 350.374 3.115 50 0 FGAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)CCc2cccs2)CC1 ZINC000072407929 494166100 /nfs/dbraw/zinc/16/61/00/494166100.db2.gz GBVXWAZZBAJMOY-UHFFFAOYSA-N -1 0 359.447 3.206 50 0 FGAARM CC(C)c1nc2c([N-]S(=O)(=O)c3ccc(Cl)s3)cccn2n1 ZINC000065283992 494185887 /nfs/dbraw/zinc/18/58/87/494185887.db2.gz RIWUHVMCJIVKPQ-UHFFFAOYSA-N -1 0 356.860 3.368 50 0 FGAARM CC1CCN(c2ccc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2)CC1 ZINC000012560901 494242289 /nfs/dbraw/zinc/24/22/89/494242289.db2.gz BJXYQYFFYLKOJY-UHFFFAOYSA-N -1 0 374.462 3.422 50 0 FGAARM CC(C)(C)OC(=O)NC[C@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000012648652 494249287 /nfs/dbraw/zinc/24/92/87/494249287.db2.gz PALAEQFKVALUOR-NSHDSACASA-N -1 0 358.232 3.217 50 0 FGAARM CC(C)(C)OC(=O)NC[C@@H](Cc1cccc(Br)c1)C(=O)[O-] ZINC000012648649 494249734 /nfs/dbraw/zinc/24/97/34/494249734.db2.gz PALAEQFKVALUOR-LLVKDONJSA-N -1 0 358.232 3.217 50 0 FGAARM CC(C)c1ccccc1OCC(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000012747056 494254364 /nfs/dbraw/zinc/25/43/64/494254364.db2.gz DODZYEGUDNEGFT-UHFFFAOYSA-N -1 0 371.462 3.145 50 0 FGAARM CCCCOc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000012754741 494255201 /nfs/dbraw/zinc/25/52/01/494255201.db2.gz FNNSGJMFBGVQJD-UHFFFAOYSA-N -1 0 371.462 3.436 50 0 FGAARM CCN(Cc1ccc2c(c1)OCO2)C(=O)CSc1ccccc1C(=O)[O-] ZINC000012789376 494260335 /nfs/dbraw/zinc/26/03/35/494260335.db2.gz AKOXVRZRRAICLY-UHFFFAOYSA-N -1 0 373.430 3.254 50 0 FGAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)ccc1OCc1ccccc1 ZINC000013167151 494280481 /nfs/dbraw/zinc/28/04/81/494280481.db2.gz LBSQKKGJMAHYEW-UHFFFAOYSA-N -1 0 369.417 3.211 50 0 FGAARM O=C([O-])CC1=C(c2cccs2)Nn2c(nnc2-c2ccccc2F)S1 ZINC000013182181 494280963 /nfs/dbraw/zinc/28/09/63/494280963.db2.gz BXDDQLINELOTIC-LBPRGKRZSA-N -1 0 374.422 3.347 50 0 FGAARM Cc1nn(C)c(Oc2cccnc2)c1[N-]S(=O)(=O)c1ccc(C)cc1C ZINC000078737210 494352871 /nfs/dbraw/zinc/35/28/71/494352871.db2.gz QYXHRMGFUNDXNR-UHFFFAOYSA-N -1 0 372.450 3.333 50 0 FGAARM CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000078938578 494381186 /nfs/dbraw/zinc/38/11/86/494381186.db2.gz WGEUIBZBASWXEM-UHFFFAOYSA-N -1 0 361.753 3.142 50 0 FGAARM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccnc1 ZINC000016626615 494396434 /nfs/dbraw/zinc/39/64/34/494396434.db2.gz OWAKUWBNNIEPGM-UHFFFAOYSA-N -1 0 371.256 3.434 50 0 FGAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000017072887 494406535 /nfs/dbraw/zinc/40/65/35/494406535.db2.gz JSEPMESBINJKSK-NWDGAFQWSA-N -1 0 351.424 3.227 50 0 FGAARM COC(=O)c1cc(C)sc1NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000017072699 494406597 /nfs/dbraw/zinc/40/65/97/494406597.db2.gz TWNHXNIWEDCAEW-UHFFFAOYSA-N -1 0 350.421 3.350 50 0 FGAARM O=C([O-])c1ccccc1S[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O ZINC000019757632 494459624 /nfs/dbraw/zinc/45/96/24/494459624.db2.gz JWRZSOVSMFZDNW-CQSZACIVSA-N -1 0 361.806 3.462 50 0 FGAARM CCc1ccc(-c2csc(NC(=O)c3c(C(=O)[O-])cnn3C)n2)s1 ZINC000020614975 494478379 /nfs/dbraw/zinc/47/83/79/494478379.db2.gz FPCWKDBDFSCMRS-UHFFFAOYSA-N -1 0 362.436 3.118 50 0 FGAARM Cc1ccc(-n2ncc3c2CC(C)(C)C[C@@H]3NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000091351104 494588295 /nfs/dbraw/zinc/58/82/95/494588295.db2.gz CVGALZFRQJZASY-INIZCTEOSA-N -1 0 365.437 3.053 50 0 FGAARM COc1cccc([C@@H]2CN(C(=O)c3ccn(C(C)(C)C)c3)C[C@H]2C(=O)[O-])c1 ZINC000092003792 494749778 /nfs/dbraw/zinc/74/97/78/494749778.db2.gz QLEAORMSZDPBIK-ZWKOTPCHSA-N -1 0 370.449 3.192 50 0 FGAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)c(C)o2)n[nH]1 ZINC000075519155 494783817 /nfs/dbraw/zinc/78/38/17/494783817.db2.gz WYSLXSCSDYWIMI-UHFFFAOYSA-N -1 0 353.350 3.366 50 0 FGAARM CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-] ZINC000027639677 494878995 /nfs/dbraw/zinc/87/89/95/494878995.db2.gz GMVPRGQOIOIIMI-UGLANLNASA-N -1 0 354.487 3.475 50 0 in-vitro FGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCn3cc(Cl)cn3)C2)cc1 ZINC000095359370 494963793 /nfs/dbraw/zinc/96/37/93/494963793.db2.gz APRSPABQTQUDHE-OAHLLOKOSA-N -1 0 361.829 3.031 50 0 FGAARM CN(Cc1cccc(Cl)c1)[C@H](C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000095364101 494964681 /nfs/dbraw/zinc/96/46/81/494964681.db2.gz OGLDUOVFVNKNIC-INIZCTEOSA-N -1 0 367.854 3.001 50 0 FGAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095376123 494968407 /nfs/dbraw/zinc/96/84/07/494968407.db2.gz QGPJOGKGAXUGMK-GOSISDBHSA-N -1 0 369.465 3.074 50 0 FGAARM CN(C)C(=O)c1ccc([C@H](C(=O)[O-])N(C)Cc2ccccc2Cl)cc1 ZINC000095392760 494973952 /nfs/dbraw/zinc/97/39/52/494973952.db2.gz DASUMRWWIQWPCP-QGZVFWFLSA-N -1 0 360.841 3.300 50 0 FGAARM CN(C)C(=O)c1ccc([C@@H](C(=O)[O-])N(C)Cc2ccccc2Cl)cc1 ZINC000095392759 494973993 /nfs/dbraw/zinc/97/39/93/494973993.db2.gz DASUMRWWIQWPCP-KRWDZBQOSA-N -1 0 360.841 3.300 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCc2cccc(F)c2)CC1 ZINC000095424106 494974621 /nfs/dbraw/zinc/97/46/21/494974621.db2.gz DJCIPBSYIUIHAT-UHFFFAOYSA-N -1 0 355.409 3.403 50 0 FGAARM CC(=O)Nc1ccc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])cc1 ZINC000095424411 494974750 /nfs/dbraw/zinc/97/47/50/494974750.db2.gz WHHYJPHEVHJKKK-CQSZACIVSA-N -1 0 354.406 3.008 50 0 FGAARM COCc1ccc(C(=O)NCc2c(C(=O)[O-])sc3cccc(F)c32)o1 ZINC000095425439 494974956 /nfs/dbraw/zinc/97/49/56/494974956.db2.gz XUJRWAQLWFSALS-UHFFFAOYSA-N -1 0 363.366 3.408 50 0 FGAARM CCc1nc2sc(C(=O)NCc3ccc(C(=O)[O-])o3)c(C)c2c(C)n1 ZINC000095425469 494975179 /nfs/dbraw/zinc/97/51/79/494975179.db2.gz KYRIWLJRBKOWFK-UHFFFAOYSA-N -1 0 359.407 3.092 50 0 FGAARM COC(=O)c1[n-]c(=NC(=O)c2ccc3c(ccn3C)c2)sc1CC(C)C ZINC000095472387 494978838 /nfs/dbraw/zinc/97/88/38/494978838.db2.gz FOLOMOFWWABQCI-UHFFFAOYSA-N -1 0 371.462 3.294 50 0 FGAARM CC(C)(C)[C@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000095970077 494993037 /nfs/dbraw/zinc/99/30/37/494993037.db2.gz SVSVCZNWFVPXMZ-CQSZACIVSA-N -1 0 350.802 3.153 50 0 FGAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C\c1c(F)cccc1F ZINC000097035267 495020093 /nfs/dbraw/zinc/02/00/93/495020093.db2.gz SLOJIKTUTRDLSQ-HJWRWDBZSA-N -1 0 356.328 3.320 50 0 FGAARM Cc1[n-]n(-c2nc(C)cc(C)n2)c(=O)c1Cc1ccc(Br)cc1 ZINC000100789146 495066552 /nfs/dbraw/zinc/06/65/52/495066552.db2.gz KHFJVKFKYVTKIR-OAHLLOKOSA-N -1 0 373.254 3.437 50 0 FGAARM Cc1cc(C)cc(-n2c(=O)c3[n-][nH]n(-c4ccc(C)c(F)c4)c=3c2=O)c1 ZINC000101260784 495068095 /nfs/dbraw/zinc/06/80/95/495068095.db2.gz YAGIFQLAPPAFPR-SJORKVTESA-N -1 0 352.369 3.249 50 0 FGAARM CSc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101417481 495068946 /nfs/dbraw/zinc/06/89/46/495068946.db2.gz UXAADHYZFGRGBX-DLBZAZTESA-N -1 0 366.446 3.210 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1 ZINC000102807391 495162678 /nfs/dbraw/zinc/16/26/78/495162678.db2.gz RDJSNZCAIMFGJC-GJZGRUSLSA-N -1 0 358.760 3.285 50 0 FGAARM O=C([O-])c1ccc(/C=C2/NC(=S)N(c3ccccc3Cl)C2=O)cc1 ZINC000105682951 495383542 /nfs/dbraw/zinc/38/35/42/495383542.db2.gz HXMXUCBRSMJZDW-UKTHLTGXSA-N -1 0 358.806 3.300 50 0 FGAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2C)c1C ZINC000130432798 495391503 /nfs/dbraw/zinc/39/15/03/495391503.db2.gz YYJSAHYYYILNDD-UHFFFAOYSA-N -1 0 372.288 3.392 50 0 FGAARM CC(C)(C)OC(=O)[C@H]1CCCCN1C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000125357576 495432225 /nfs/dbraw/zinc/43/22/25/495432225.db2.gz HXTBUIAJLXRGSV-CYBMUJFWSA-N -1 0 362.451 3.453 50 0 FGAARM Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2cn(C(C)C)cn2)c1 ZINC000182427484 495560721 /nfs/dbraw/zinc/56/07/21/495560721.db2.gz XAFDVOWDQAXVEZ-UHFFFAOYSA-N -1 0 374.260 3.041 50 0 FGAARM O=C([O-])CN(C(=O)Nc1cccc(COc2cccc(F)c2)c1)C1CC1 ZINC000225565660 497067352 /nfs/dbraw/zinc/06/73/52/497067352.db2.gz UWQSBEZJRACYSX-UHFFFAOYSA-N -1 0 358.369 3.486 50 0 FGAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cn1 ZINC000225695635 497071974 /nfs/dbraw/zinc/07/19/74/497071974.db2.gz KJZYVBPIELZGPA-UHFFFAOYSA-N -1 0 374.441 3.416 50 0 FGAARM CC(C)[S@](=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cc1 ZINC000236706020 497136087 /nfs/dbraw/zinc/13/60/87/497136087.db2.gz RRNHFLARJVCAEY-IUKYZQMGSA-N -1 0 363.479 3.061 50 0 FGAARM CC(C)(C)c1nc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cs1 ZINC000236718779 497137195 /nfs/dbraw/zinc/13/71/95/497137195.db2.gz OSIAZPQFFWVDOQ-OAHLLOKOSA-N -1 0 358.463 3.021 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000238002375 497326238 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Cc1nc(C2CCCC2)sc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237612663 497263282 /nfs/dbraw/zinc/26/32/82/497263282.db2.gz NMZHRJNRRGWXDP-UHFFFAOYSA-N -1 0 366.483 3.205 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)COc2ccc(C(F)(F)F)cc2)C1 ZINC000237949949 497319264 /nfs/dbraw/zinc/31/92/64/497319264.db2.gz CFLXABNTYSZSKV-LBPRGKRZSA-N -1 0 359.344 3.188 50 0 FGAARM O=C([O-])c1cc2cc(NC(=O)[C@H]3CCCN(C(=O)C4CC4)C3)ccc2s1 ZINC000238004723 497326540 /nfs/dbraw/zinc/32/65/40/497326540.db2.gz VSMSEFLIQWOZAL-LBPRGKRZSA-N -1 0 372.446 3.187 50 0 FGAARM O=C([O-])c1cccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)c1 ZINC000238212274 497347397 /nfs/dbraw/zinc/34/73/97/497347397.db2.gz HZQYFDMUKSABAQ-UHFFFAOYSA-N -1 0 366.417 3.192 50 0 FGAARM Cc1csc([C@@H](C)N(C)CCC(=O)Nc2ccsc2C(=O)[O-])n1 ZINC000244734293 497369199 /nfs/dbraw/zinc/36/91/99/497369199.db2.gz NCUCRORZIUBNEL-SNVBAGLBSA-N -1 0 353.469 3.233 50 0 FGAARM COc1ccc(-c2cncc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])c2)cc1 ZINC000262795466 497622807 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495044999 /nfs/dbraw/zinc/04/49/99/495044999.db2.gz KWZFFMDQIWCDEI-JKSUJKDBSA-N -1 0 358.463 3.481 50 0 FGAARM O=C(Nc1cc(F)ccc1F)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100326523 495064684 /nfs/dbraw/zinc/06/46/84/495064684.db2.gz TYZXTTIFPGSTPE-UHFFFAOYSA-N -1 0 356.328 3.184 50 0 FGAARM CCn1c(=O)c(C(=O)NCc2ccc(Cl)cc2)c([O-])c2ccccc21 ZINC000100512494 495065259 /nfs/dbraw/zinc/06/52/59/495065259.db2.gz UHGCCQHTLOGWCY-UHFFFAOYSA-N -1 0 356.809 3.310 50 0 FGAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccc(Cl)cc3)c(=O)c1=2 ZINC000101167129 495067357 /nfs/dbraw/zinc/06/73/57/495067357.db2.gz KYZCUJZCNWSWOU-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM O=C1O[C@@H](c2c([O-])[nH]c(=S)n(C3CCCCC3)c2=O)c2ccccc21 ZINC000101337397 495068210 /nfs/dbraw/zinc/06/82/10/495068210.db2.gz MLTGSSHWAKZJJP-CQSZACIVSA-N -1 0 358.419 3.376 50 0 FGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101417258 495068835 /nfs/dbraw/zinc/06/88/35/495068835.db2.gz AOQZRHGGDXHOPS-LSDHHAIUSA-N -1 0 374.322 3.199 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CC(C)(C)N1C(=O)c2ccc(C(=O)c3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000000758211 203948273 /nfs/dbraw/zinc/94/82/73/203948273.db2.gz YIFXLPXOIPFDLP-UHFFFAOYSA-N -1 0 351.358 3.010 50 0 FGAARM CCc1nnc(NC(=O)c2nnn(-c3cc(C)ccc3Cl)c2C)s1 ZINC000009763983 204002424 /nfs/dbraw/zinc/00/24/24/204002424.db2.gz FHWCPUUGZWGLLN-UHFFFAOYSA-N -1 0 362.846 3.204 50 0 FGAARM CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)c1ccccc1C(=O)[O-] ZINC000002330014 204034394 /nfs/dbraw/zinc/03/43/94/204034394.db2.gz BSQJAVHOXCVSEB-UHFFFAOYSA-N -1 0 370.336 3.434 50 0 FGAARM CCOC(=O)[C@@]([N-]c1ccccc1Cl)(NC(=O)CC)C(F)(F)F ZINC000002344590 204035022 /nfs/dbraw/zinc/03/50/22/204035022.db2.gz IYWTULWDJYOWFM-CYBMUJFWSA-N -1 0 352.740 3.100 50 0 FGAARM Nc1c2cc3c(nc2sc1C(=O)Nc1ccccc1C(=O)[O-])CCC3 ZINC000002603024 204045240 /nfs/dbraw/zinc/04/52/40/204045240.db2.gz OFWXVNGTXFYGNZ-UHFFFAOYSA-N -1 0 353.403 3.318 50 0 FGAARM COC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)/C=C/C(=O)[O-] ZINC000002738040 204054002 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O=C(N[C@@]1(C(F)(F)F)[N-]c2nc3ccccc3n2C1=O)C1CCCCC1 ZINC000005210401 204197943 /nfs/dbraw/zinc/19/79/43/204197943.db2.gz FLMVZODOXOCGLL-MRXNPFEDSA-N -1 0 366.343 3.057 50 0 FGAARM COc1cc(/C=C\C(=O)N(C)c2ccccc2C(=O)[O-])cc(OC)c1OC ZINC000006343673 204246033 /nfs/dbraw/zinc/24/60/33/204246033.db2.gz YOISROUYNXCHQJ-KTKRTIGZSA-N -1 0 371.389 3.087 50 0 FGAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1 ZINC000007709456 204303990 /nfs/dbraw/zinc/30/39/90/204303990.db2.gz BLDSLPRPMXHVSN-UHFFFAOYSA-N -1 0 356.403 3.212 50 0 FGAARM CCCCc1ccc(N2C(=O)C[C@@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000007777711 204306926 /nfs/dbraw/zinc/30/69/26/204306926.db2.gz XLVUSJATWBCOSQ-GOSISDBHSA-N -1 0 366.417 3.471 50 0 FGAARM CC(=O)c1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2Cl)cc1 ZINC000007986348 204312767 /nfs/dbraw/zinc/31/27/67/204312767.db2.gz RSXYBUCOBTXRQE-UHFFFAOYSA-N -1 0 354.767 3.009 50 0 FGAARM Cc1ccc(Nc2nc(NCC(=O)[O-])nc(Nc3ccc(C)cc3)n2)cc1 ZINC000007498213 204299684 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COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1cc2c(cc1C)OCO2 ZINC000041107871 205088458 /nfs/dbraw/zinc/08/84/58/205088458.db2.gz KLRSWFNCHXFVJZ-UHFFFAOYSA-N -1 0 369.826 3.495 50 0 FGAARM CC(C)(C)n1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1C1CC1 ZINC000299359041 205090405 /nfs/dbraw/zinc/09/04/05/205090405.db2.gz MEXVMCHTJZZQFG-LXZKKBNFSA-N -1 0 359.470 3.373 50 0 FGAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2nc3cc(C(F)(F)F)ccc3s2)C1 ZINC000299742980 205124768 /nfs/dbraw/zinc/12/47/68/205124768.db2.gz LHKGOBAMMFDOMP-SECBINFHSA-N -1 0 372.368 3.181 50 0 FGAARM COc1ccccc1CN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047932235 205151607 /nfs/dbraw/zinc/15/16/07/205151607.db2.gz AXMZYWLMDSTFJC-UHFFFAOYSA-N -1 0 355.419 3.279 50 0 FGAARM O=C(NCc1ccc(C(F)(F)F)cc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409578 205172097 /nfs/dbraw/zinc/17/20/97/205172097.db2.gz OMNYNECZZJATIL-UHFFFAOYSA-N -1 0 368.336 3.244 50 0 FGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000055149999 205208000 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Cc1cc(F)ccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000065246360 205329132 /nfs/dbraw/zinc/32/91/32/205329132.db2.gz IGKUWXFUQOVPQD-UHFFFAOYSA-N -1 0 363.370 3.455 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccoc3)no2)cc1Cl ZINC000065153470 205320834 /nfs/dbraw/zinc/32/08/34/205320834.db2.gz HTBNVHCHIPRDOW-UHFFFAOYSA-N -1 0 354.771 3.397 50 0 FGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)s1 ZINC000065183756 205321722 /nfs/dbraw/zinc/32/17/22/205321722.db2.gz NBTHNPZLECTJEQ-UHFFFAOYSA-N -1 0 370.887 3.424 50 0 FGAARM O=C(N=c1[n-]nc2cccc(Cl)n21)Nc1ccccc1C(F)(F)F ZINC000065314606 205337263 /nfs/dbraw/zinc/33/72/63/205337263.db2.gz MFUVATQEQZDIBC-UHFFFAOYSA-N -1 0 355.707 3.467 50 0 FGAARM CCCn1ccnc1-c1c(-c2ccccc2)ncn1[C@@H](C)c1n[nH]c(=O)[n-]1 ZINC000067649673 205380183 /nfs/dbraw/zinc/38/01/83/205380183.db2.gz NPCRLZMRCWCJNR-ZDUSSCGKSA-N -1 0 363.425 3.257 50 0 FGAARM O=C([O-])c1ccc(Nc2n[nH]nc2C(=O)Nc2ccc(Cl)cc2)cc1 ZINC000072265051 205503579 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FGAARM O=C([O-])c1csc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)n1 ZINC000124154025 206115129 /nfs/dbraw/zinc/11/51/29/206115129.db2.gz KPNSXVBPKVUJEB-ZJUUUORDSA-N -1 0 370.352 3.280 50 0 FGAARM COc1cccc([C@H]2CN(C(=O)c3ccc4[n-]c(=S)oc4c3)CCO2)c1 ZINC000130530096 206124963 /nfs/dbraw/zinc/12/49/63/206124963.db2.gz HNSGXQZYCQPUQZ-QGZVFWFLSA-N -1 0 370.430 3.339 50 0 FGAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccc1F ZINC000005396103 206192818 /nfs/dbraw/zinc/19/28/18/206192818.db2.gz GRJJJKPMQQOBLI-RHSMWYFYSA-N -1 0 363.410 3.202 50 0 FGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc(N2CCCC2=O)cc1 ZINC000005329235 206194630 /nfs/dbraw/zinc/19/46/30/206194630.db2.gz VFYNBDPNZGZHGM-UHFFFAOYSA-N -1 0 374.462 3.240 50 0 FGAARM COc1cc(Cl)c(C)cc1[N-]S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000003319555 206232711 /nfs/dbraw/zinc/23/27/11/206232711.db2.gz SFHQOXBHWXZHHO-UHFFFAOYSA-N -1 0 355.799 3.156 50 0 FGAARM CN(CC12CC3CC(CC(C3)C1)C2)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012916261 206298902 /nfs/dbraw/zinc/29/89/02/206298902.db2.gz NXGYIQBQRNJXFJ-UHFFFAOYSA-N -1 0 369.508 3.283 50 0 FGAARM O=C(/C=C/c1ccc2c(c1)OCO2)Nc1c2ccccc2[nH]c1C(=O)[O-] ZINC000013110323 206300884 /nfs/dbraw/zinc/30/08/84/206300884.db2.gz JKHKOWTVDYDCFZ-SOFGYWHQSA-N -1 0 350.330 3.247 50 0 FGAARM COc1cc(COc2cccc(-c3cncc(C(=O)[O-])n3)c2)cc(OC)c1 ZINC000216503985 206359106 /nfs/dbraw/zinc/35/91/06/206359106.db2.gz ZJVOWVHUJXZSPQ-UHFFFAOYSA-N -1 0 366.373 3.438 50 0 FGAARM O=S(=O)([N-]c1nncn1-c1ccccc1)c1c(Cl)cccc1Cl ZINC000225532249 206484373 /nfs/dbraw/zinc/48/43/73/206484373.db2.gz DMTLGJGULORPMF-UHFFFAOYSA-N -1 0 369.233 3.375 50 0 FGAARM Cc1ccc(OCC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)cc1 ZINC000237692724 206545416 /nfs/dbraw/zinc/54/54/16/206545416.db2.gz UCOBILQEHHSHJC-UHFFFAOYSA-N -1 0 363.360 3.156 50 0 FGAARM Cc1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)ccc1OCC(=O)[O-] ZINC000058377066 221116919 /nfs/dbraw/zinc/11/69/19/221116919.db2.gz QJQSEFSONGMLLT-UHFFFAOYSA-N -1 0 373.789 3.052 50 0 FGAARM O=C([O-])C1(CC(=O)Nc2cccc(C(=O)N3CCCCC3)c2)CCCC1 ZINC000071817316 221379370 /nfs/dbraw/zinc/37/93/70/221379370.db2.gz XSIUMUPFTSJWPE-UHFFFAOYSA-N -1 0 358.438 3.286 50 0 FGAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000215189895 132269947 /nfs/dbraw/zinc/26/99/47/132269947.db2.gz CTLLSQNVLRQWQW-HXUWFJFHSA-N -1 0 364.445 3.329 50 0 FGAARM O=C([O-])[C@@]1(Cc2ccccc2F)CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071415766 136139035 /nfs/dbraw/zinc/13/90/35/136139035.db2.gz CITUEXZEQHNALR-LJQANCHMSA-N -1 0 354.385 3.011 50 0 FGAARM O=C([O-])[C@]1(CCc2ccccc2)CCCN(c2ncnc3c2CCC3)C1 ZINC000071746370 136139998 /nfs/dbraw/zinc/13/99/98/136139998.db2.gz DORHDFMSSFFAPQ-NRFANRHFSA-N -1 0 351.450 3.269 50 0 FGAARM Cc1noc([N-]S(=O)(=O)c2cc(C)c(Br)cc2C)c1C ZINC000131310137 494580502 /nfs/dbraw/zinc/58/05/02/494580502.db2.gz BKWOGBKJMAWEFQ-UHFFFAOYSA-N -1 0 359.245 3.472 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2cccnc2Nc2ccc(O)cc2)cc1 ZINC000000598089 493765770 /nfs/dbraw/zinc/76/57/70/493765770.db2.gz URCVCIZFVQDVPM-UHFFFAOYSA-N -1 0 371.418 3.340 50 0 investigational FGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000640775 493766436 /nfs/dbraw/zinc/76/64/36/493766436.db2.gz JVUHNUSVIURRRK-UHFFFAOYSA-N -1 0 354.815 3.108 50 0 FGAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2cc(C)ccc2C)nc1C ZINC000000872861 493778394 /nfs/dbraw/zinc/77/83/94/493778394.db2.gz SDWLDASLCNARCI-UHFFFAOYSA-N -1 0 354.453 3.046 50 0 aggregator FGAARM COc1ccc(C2(C(=O)Nc3ccc(C(=O)[O-])cc3)CCOCC2)cc1 ZINC000001133023 493785912 /nfs/dbraw/zinc/78/59/12/493785912.db2.gz LELXONJDHHRVAC-UHFFFAOYSA-N -1 0 355.390 3.080 50 0 FGAARM CCCN1C(=O)NC(=Cc2c(CC)[n-]n(-c3ccc(Cl)cc3)c2=O)C1=O ZINC000004355417 493874726 /nfs/dbraw/zinc/87/47/26/493874726.db2.gz ODDLCUPMXDRAHY-GDNBJRDFSA-N -1 0 374.828 3.096 50 0 FGAARM CCCNC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000006623371 493971163 /nfs/dbraw/zinc/97/11/63/493971163.db2.gz HLUUOBHRXMIAFG-UHFFFAOYSA-N -1 0 363.439 3.028 50 0 FGAARM O=C([O-])C1(NC(=O)CSc2nc3ccccc3s2)CCCCC1 ZINC000061262791 493971939 /nfs/dbraw/zinc/97/19/39/493971939.db2.gz KYYIICVYWXYDFE-UHFFFAOYSA-N -1 0 350.465 3.292 50 0 FGAARM CCc1sc(C(=O)Nc2cc(S(=O)(=O)CC)ccc2[O-])cc1C ZINC000032732229 494009395 /nfs/dbraw/zinc/00/93/95/494009395.db2.gz QGJVOVMJSCJRCY-UHFFFAOYSA-N -1 0 353.465 3.370 50 0 FGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cc(-c3ccno3)oc2C)c1 ZINC000032971314 494033548 /nfs/dbraw/zinc/03/35/48/494033548.db2.gz RIHUXKHWGDAAFU-UHFFFAOYSA-N -1 0 364.379 3.061 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000033274051 494056001 /nfs/dbraw/zinc/05/60/01/494056001.db2.gz XWODSCGRIDPNRQ-HZPDHXFCSA-N -1 0 354.797 3.455 50 0 FGAARM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000084387450 494069062 /nfs/dbraw/zinc/06/90/62/494069062.db2.gz SYOKYWKTBUXVRK-HNNXBMFYSA-N -1 0 351.381 3.347 50 0 FGAARM O=C(c1nn(-c2ccc(F)cc2)cc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000084387447 494069422 /nfs/dbraw/zinc/06/94/22/494069422.db2.gz SYOKYWKTBUXVRK-OAHLLOKOSA-N -1 0 351.381 3.347 50 0 FGAARM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])n(-c2cccc(F)c2)n1 ZINC000071287231 494091142 /nfs/dbraw/zinc/09/11/42/494091142.db2.gz OJRJPTNVJHLHOW-UHFFFAOYSA-N -1 0 353.353 3.199 50 0 FGAARM O=C(CCc1cc(=O)[n-]o1)N1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071763670 494099244 /nfs/dbraw/zinc/09/92/44/494099244.db2.gz QOWZBBYMCNVZTC-CQSZACIVSA-N -1 0 371.220 3.220 50 0 FGAARM CC(C)(C)c1ccc2c(n[nH]c2NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000072400708 494163015 /nfs/dbraw/zinc/16/30/15/494163015.db2.gz UUBSENSYKHMVJQ-UHFFFAOYSA-N -1 0 352.394 3.135 50 0 FGAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(OC)cc2OC)c1=O ZINC000065215406 494179878 /nfs/dbraw/zinc/17/98/78/494179878.db2.gz HBQIUVUIYDAXHM-UHFFFAOYSA-N -1 0 374.418 3.058 50 0 FGAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)c1 ZINC000012536054 494239536 /nfs/dbraw/zinc/23/95/36/494239536.db2.gz DJZJNZLYKSMZAF-UHFFFAOYSA-N -1 0 355.419 3.302 50 0 FGAARM CCOc1cc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc(Cl)c1OC ZINC000013167349 494279972 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FGAARM NC(=O)c1c(NC(=O)CC2(CC(=O)[O-])CCCC2)sc2c1CCCC2 ZINC000017074923 494407807 /nfs/dbraw/zinc/40/78/07/494407807.db2.gz BIJWQNAVPGYYMQ-UHFFFAOYSA-N -1 0 364.467 3.090 50 0 FGAARM O=c1c2c(nc3[n-]ncn31)nc1c(c2-c2ccccc2)CCc2ccccc2-1 ZINC000017117746 494408672 /nfs/dbraw/zinc/40/86/72/494408672.db2.gz MYTJFKVXWAWNMT-UHFFFAOYSA-N -1 0 365.396 3.398 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3ccccc3)cc2[n-]c1=S ZINC000017323642 494412600 /nfs/dbraw/zinc/41/26/00/494412600.db2.gz POCMVTUEJDCDBE-LBPRGKRZSA-N -1 0 353.447 3.196 50 0 FGAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c(C)c1 ZINC000019772820 494460047 /nfs/dbraw/zinc/46/00/47/494460047.db2.gz KSWGVLALPBTFPF-MRXNPFEDSA-N -1 0 355.415 3.426 50 0 FGAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C2CC2)cc1OC ZINC000020105432 494466185 /nfs/dbraw/zinc/46/61/85/494466185.db2.gz SPOKDQZRPHWVAQ-OALUTQOASA-N -1 0 367.401 3.232 50 0 FGAARM Cc1nc2cc(C(=O)N3C[C@@H](c4ccccc4C)[C@H](C(=O)[O-])C3)ccc2[nH]1 ZINC000091548187 494614706 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O=C([O-])COc1ccccc1CNC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000095425346 494974633 /nfs/dbraw/zinc/97/46/33/494974633.db2.gz SSXPYGNDURJLTA-UHFFFAOYSA-N -1 0 367.323 3.028 50 0 FGAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)cc1 ZINC000095481472 494980453 /nfs/dbraw/zinc/98/04/53/494980453.db2.gz RCRANSMXDGNXJZ-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cc(Br)n(C)n2)c1C ZINC000097033573 495019769 /nfs/dbraw/zinc/01/97/69/495019769.db2.gz QXKWNXBBZHRUPN-UHFFFAOYSA-N -1 0 372.288 3.217 50 0 FGAARM Cc1cccnc1[C@@H](NC(=O)c1cc(=O)c2cccc(F)c2[n-]1)C1CC1 ZINC000097757786 495045673 /nfs/dbraw/zinc/04/56/73/495045673.db2.gz QQMOHUPCSRKMGL-SFHVURJKSA-N -1 0 351.381 3.252 50 0 FGAARM O=C([O-])[C@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000098012563 495047487 /nfs/dbraw/zinc/04/74/87/495047487.db2.gz KEIYXFIKPSXPON-KVPUOBJLSA-N -1 0 363.822 3.329 50 0 FGAARM O=C(Nc1nc2ccc(F)cc2s1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000100658445 495065640 /nfs/dbraw/zinc/06/56/40/495065640.db2.gz WEFTXVDWVHVKIK-UHFFFAOYSA-N -1 0 355.350 3.235 50 0 FGAARM O=c1c2sc3ncccc3c2[n-]c(=S)n1Cc1ccc2c(c1)OCO2 ZINC000101416241 495068864 /nfs/dbraw/zinc/06/88/64/495068864.db2.gz ZHUJCPYCNMSCCF-UHFFFAOYSA-N -1 0 369.427 3.446 50 0 FGAARM Cc1nc2[n-]c(CNc3ccc(F)cc3)nn2c(=O)c1Cc1ccccc1 ZINC000101802740 495099948 /nfs/dbraw/zinc/09/99/48/495099948.db2.gz QGZGEPWDUWGBCP-UHFFFAOYSA-N -1 0 363.396 3.068 50 0 FGAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cnn(C(C)C)c1 ZINC000130099328 495341731 /nfs/dbraw/zinc/34/17/31/495341731.db2.gz PFIYVFWVEAUWQK-UHFFFAOYSA-N -1 0 358.261 3.336 50 0 FGAARM CN(Cc1cc(-c2ccncc2)no1)Cc1nc(=O)c2sccc2[n-]1 ZINC000253537062 497336717 /nfs/dbraw/zinc/33/67/17/497336717.db2.gz WETZLHIJUZEGPR-UHFFFAOYSA-N -1 0 353.407 3.079 50 0 FGAARM CN(C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263027742 497685090 /nfs/dbraw/zinc/68/50/90/497685090.db2.gz MNHJVZOAJQGBHU-NWDGAFQWSA-N -1 0 359.344 3.482 50 0 FGAARM COc1ccc(Oc2ccc(NC(=O)N3CCC[C@H](C(=O)[O-])C3)cn2)cc1 ZINC000263087741 497702114 /nfs/dbraw/zinc/70/21/14/497702114.db2.gz SCCBFNVXPPJVHH-ZDUSSCGKSA-N -1 0 371.393 3.211 50 0 FGAARM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263571906 497801388 /nfs/dbraw/zinc/80/13/88/497801388.db2.gz KBWQXDAUJRILPC-SFHVURJKSA-N -1 0 368.433 3.305 50 0 FGAARM COc1ccccc1-c1ccnc(-n2ncc(C(=O)[O-])c2-c2ccco2)n1 ZINC000299797599 497926253 /nfs/dbraw/zinc/92/62/53/497926253.db2.gz OFABPCWYUJKFBK-UHFFFAOYSA-N -1 0 362.345 3.296 50 0 FGAARM O=C(CSC1=NC(=O)C(Cc2ccccc2)C([O-])=N1)c1cccc(O)c1 ZINC000575443440 505977341 /nfs/dbraw/zinc/97/73/41/505977341.db2.gz ADFQULODZRGHBL-UHFFFAOYSA-N -1 0 368.414 3.159 50 0 FGAARM NC(=O)Cc1ccc([N-]S(=O)(=O)c2cnc3ccc(F)cc3c2)cc1 ZINC000328595879 498870085 /nfs/dbraw/zinc/87/00/85/498870085.db2.gz IMAHKEKHKUIANA-UHFFFAOYSA-N -1 0 359.382 3.252 50 0 FGAARM O=C([O-])[C@@H]1CCN(C(=O)Nc2ncc(Cc3cccc(Cl)c3)s2)C1 ZINC000417721689 500156174 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3.448 50 0 FGAARM CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1 ZINC000046072830 570923527 /nfs/dbraw/zinc/92/35/27/570923527.db2.gz GKEPKBXKBNFLHE-UHFFFAOYSA-N -1 0 353.371 3.112 50 0 FGAARM O=C([O-])C1CCN(C(=O)c2cc3cccc(Br)c3o2)CC1 ZINC000048787356 570959581 /nfs/dbraw/zinc/95/95/81/570959581.db2.gz FOCRWUJAUFGCBA-UHFFFAOYSA-N -1 0 352.184 3.132 50 0 FGAARM CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000195767546 571074135 /nfs/dbraw/zinc/07/41/35/571074135.db2.gz GHXDACIKRVWHHJ-OAHLLOKOSA-N -1 0 354.406 3.127 50 0 FGAARM Cc1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cc(C)c1OCC(=O)[O-] ZINC000180127720 601535837 /nfs/dbraw/zinc/53/58/37/601535837.db2.gz VAOZCEDJNKSKAX-DLBZAZTESA-N -1 0 357.381 3.192 50 0 FGAARM O=C([O-])[C@@H](c1cccnc1)N1CCN(c2ccc(Cl)cc2Cl)CC1 ZINC000656759573 719466136 /nfs/dbraw/zinc/46/61/36/719466136.db2.gz HPXVZRUEUVTKPD-MRXNPFEDSA-N -1 0 366.248 3.336 50 0 FGAARM COC1(CNC(=O)c2s[n-]c(=O)c2Cl)CCC(C(F)F)CC1 ZINC000888093014 739470049 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CCCCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000002886664 204066186 /nfs/dbraw/zinc/06/61/86/204066186.db2.gz YSNJIMUFSMNGQJ-UHFFFAOYSA-N -1 0 367.427 3.441 50 0 FGAARM O=C([O-])c1cccnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000003255156 204086162 /nfs/dbraw/zinc/08/61/62/204086162.db2.gz BYLOSMYJSGARSI-UHFFFAOYSA-N -1 0 372.324 3.409 50 0 FGAARM COC(=O)c1cc(-c2ccc(Cl)cc2Cl)n2nc(C(=O)[O-])cc2n1 ZINC000002747790 204055021 /nfs/dbraw/zinc/05/50/21/204055021.db2.gz JUDVTCXOERMOIQ-UHFFFAOYSA-N -1 0 366.160 3.188 50 0 FGAARM C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 ZINC000003886712 204113191 /nfs/dbraw/zinc/11/31/91/204113191.db2.gz YRPLXDPMRJTNTE-UHSVVUDUSA-N -1 0 363.479 3.268 50 0 FGAARM O=C([O-])c1ccc(N[C@H](NC(=O)c2ccco2)C(=O)c2ccccc2)cc1 ZINC000004058727 204119687 /nfs/dbraw/zinc/11/96/87/204119687.db2.gz LLFILFRUZZFSSO-GOSISDBHSA-N -1 0 364.357 3.029 50 0 FGAARM COc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003626947 204109403 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Cc1ccc(O)c(S(=O)(=O)[N-]c2ccc(N3CCCC3)c(F)c2)c1 ZINC000057119423 205235054 /nfs/dbraw/zinc/23/50/54/205235054.db2.gz OJWPWATXBZMGFT-UHFFFAOYSA-N -1 0 350.415 3.241 50 0 FGAARM Cc1ccc(O)c(S(=O)(=O)[N-]c2cccc(-c3ccnc(C)n3)c2)c1 ZINC000057117586 205235243 /nfs/dbraw/zinc/23/52/43/205235243.db2.gz UBVQWXIASYMQFT-UHFFFAOYSA-N -1 0 355.419 3.267 50 0 FGAARM Cc1ccc(C(=O)N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)s1 ZINC000058180831 205255493 /nfs/dbraw/zinc/25/54/93/205255493.db2.gz OYSHVCMDWXGUQK-UHFFFAOYSA-N -1 0 364.854 3.014 50 0 FGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cccc(SC)c2)s1 ZINC000065183765 205322365 /nfs/dbraw/zinc/32/23/65/205322365.db2.gz WGNHTYLEXDKTND-UHFFFAOYSA-N -1 0 368.509 3.184 50 0 FGAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(C)c2C)o1 ZINC000065194063 205323099 /nfs/dbraw/zinc/32/30/99/205323099.db2.gz PIDLOBIDHQVNSD-UHFFFAOYSA-N -1 0 374.466 3.418 50 0 FGAARM CC(C)n1c(S[C@@H](C)C(=O)[O-])nnc1-c1ccc2c(c1)OCCCO2 ZINC000064987281 205313149 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Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)cc1 ZINC000101418567 205961456 /nfs/dbraw/zinc/96/14/56/205961456.db2.gz RCRANSMXDGNXJZ-CVEARBPZSA-N -1 0 354.797 3.142 50 0 FGAARM CCO[C@H](C)c1nc(CC(=O)N2CCCC[C@H]2CCC(=O)[O-])cs1 ZINC000236918076 206001277 /nfs/dbraw/zinc/00/12/77/206001277.db2.gz FKCOBARMJADPBG-OCCSQVGLSA-N -1 0 354.472 3.029 50 0 FGAARM COc1ccc(NC(=O)Cn2[n-]c(-c3ccc(C)cc3)cc2=O)cc1Cl ZINC000049006609 206084979 /nfs/dbraw/zinc/08/49/79/206084979.db2.gz NDXJMRIIVSWSGM-UHFFFAOYSA-N -1 0 371.824 3.453 50 0 FGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2cccnc2)CC(=O)N3)c1 ZINC000049543382 206088833 /nfs/dbraw/zinc/08/88/33/206088833.db2.gz SGRPGKUFVOOQBK-HNNXBMFYSA-N -1 0 363.373 3.053 50 0 FGAARM C[C@@H]1CCCC[C@@H]1OCC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237372317 206101166 /nfs/dbraw/zinc/10/11/66/206101166.db2.gz KZIQXFOXZDGWPM-AEFFLSMTSA-N -1 0 359.466 3.227 50 0 FGAARM Cc1c2cc(Cl)ccc2oc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237727775 206107130 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COc1ccc(OC)c(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(C)cc2)c1 ZINC000004755653 206180432 /nfs/dbraw/zinc/18/04/32/206180432.db2.gz PFWWSPWXOKFXDK-OAHLLOKOSA-N -1 0 357.406 3.284 50 0 FGAARM Cc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000007417248 206245011 /nfs/dbraw/zinc/24/50/11/206245011.db2.gz IETVHSHSLVXMQK-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)cc1 ZINC000170091843 206269282 /nfs/dbraw/zinc/26/92/82/206269282.db2.gz KDBVRLAQAAJTFJ-INIZCTEOSA-N -1 0 371.462 3.357 50 0 FGAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 ZINC000020614960 206333199 /nfs/dbraw/zinc/33/31/99/206333199.db2.gz AOBKPGFBXONTBK-UHFFFAOYSA-N -1 0 355.325 3.302 50 0 FGAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 ZINC000020615404 206333701 /nfs/dbraw/zinc/33/37/01/206333701.db2.gz FBKAHAZURHZTEH-UHFFFAOYSA-N -1 0 361.304 3.158 50 0 FGAARM CC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000100647024 533416625 /nfs/dbraw/zinc/41/66/25/533416625.db2.gz HFZKSCPXULFXHK-VBKFSLOCSA-N -1 0 353.353 3.103 50 0 FGAARM Cc1nc2scc(CC(C)C)c2c(N2CCC[C@@H](c3n[n-]c(=O)o3)C2)n1 ZINC000225812549 132286909 /nfs/dbraw/zinc/28/69/09/132286909.db2.gz XHVNFCYBEYCFEQ-GFCCVEGCSA-N -1 0 373.482 3.259 50 0 FGAARM O=C([O-])[C@]1(C/C=C/c2ccccc2)CCCN(c2ncnc3nc[nH]c32)C1 ZINC000071750379 136140095 /nfs/dbraw/zinc/14/00/95/136140095.db2.gz WUCIGKFZGZJPRX-BTZGUFSASA-N -1 0 363.421 3.128 50 0 FGAARM CC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000101066007 222260448 /nfs/dbraw/zinc/26/04/48/222260448.db2.gz OVDGUANKTORFLR-FSLWVPIDSA-N -1 0 355.438 3.022 50 0 FGAARM COC(=O)c1cc(-c2ccc(C)cc2)c2c(=O)n(-c3ccccc3)nc-2[n-]1 ZINC000000644725 493767825 /nfs/dbraw/zinc/76/78/25/493767825.db2.gz XUQKCPDJYMLMTQ-UHFFFAOYSA-N -1 0 359.385 3.476 50 0 FGAARM COc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])n2)cc1 ZINC000000649258 493767880 /nfs/dbraw/zinc/76/78/80/493767880.db2.gz IYQXHMUBGVNXLY-UONOGXRCSA-N -1 0 358.419 3.424 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)no1 ZINC000000677975 493768576 /nfs/dbraw/zinc/76/85/76/493768576.db2.gz UZXBBHGGUPPGBE-UHFFFAOYSA-N -1 0 371.418 3.345 50 0 FGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3F)C2)cc1 ZINC000000710122 493769839 /nfs/dbraw/zinc/76/98/39/493769839.db2.gz IBNPFQUZBLYNAN-GOSISDBHSA-N -1 0 370.380 3.377 50 0 FGAARM O=C([O-])[C@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(F)cc2)S1 ZINC000000708783 493770061 /nfs/dbraw/zinc/77/00/61/493770061.db2.gz PTRQTCVWTXEJEW-OAHLLOKOSA-N -1 0 358.394 3.432 50 0 FGAARM CCOc1ccc(NC(=O)[C@@H](CC(=O)[O-])Cc2ccc(OC)cc2)cc1 ZINC000000799518 493773600 /nfs/dbraw/zinc/77/36/00/493773600.db2.gz ZSTDGLQIAJDGJK-OAHLLOKOSA-N -1 0 357.406 3.366 50 0 FGAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)c1 ZINC000000801920 493774043 /nfs/dbraw/zinc/77/40/43/493774043.db2.gz YUXPGTGAGXSMEA-OAHLLOKOSA-N -1 0 358.419 3.299 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)no1 ZINC000000945074 493780319 /nfs/dbraw/zinc/78/03/19/493780319.db2.gz KXORNWDQDQMHQU-UHFFFAOYSA-N -1 0 371.418 3.345 50 0 FGAARM O=C(NCc1ccc(Cl)cc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001261560 493791946 /nfs/dbraw/zinc/79/19/46/493791946.db2.gz ZSDLJCRTAARVBF-UHFFFAOYSA-N -1 0 368.820 3.237 50 0 FGAARM Cn1ccnc1[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccccc1F ZINC000029085903 493814558 /nfs/dbraw/zinc/81/45/58/493814558.db2.gz AQXPZOPOMFIEOW-MRXNPFEDSA-N -1 0 359.788 3.438 50 0 FGAARM Cc1ccc(CNC(=O)CCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002932452 493825411 /nfs/dbraw/zinc/82/54/11/493825411.db2.gz HBNLDLGNOPLJFA-UHFFFAOYSA-N -1 0 359.476 3.136 50 0 FGAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NCCc1ccc(Cl)cc1 ZINC000003043538 493830240 /nfs/dbraw/zinc/83/02/40/493830240.db2.gz DKRVUUQMSGVUEM-UHFFFAOYSA-N -1 0 373.865 3.071 50 0 FGAARM O=C([O-])c1cc(NS(=O)(=O)c2cccc3ncccc32)ccc1Cl ZINC000058366826 493846976 /nfs/dbraw/zinc/84/69/76/493846976.db2.gz FZTLMVBTEDYDEK-UHFFFAOYSA-N -1 0 362.794 3.387 50 0 FGAARM COc1ccc(/C=C/c2nc3ccccc3c(=O)n2CCC(=O)[O-])cc1 ZINC000029736991 493855734 /nfs/dbraw/zinc/85/57/34/493855734.db2.gz IIGPNVAXRGZJGT-DHZHZOJOSA-N -1 0 350.374 3.050 50 0 FGAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004902501 493900203 /nfs/dbraw/zinc/90/02/03/493900203.db2.gz QDMOREFVFDADFK-QWHCGFSZSA-N -1 0 365.451 3.401 50 0 FGAARM CCC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000005625220 493937392 /nfs/dbraw/zinc/93/73/92/493937392.db2.gz FPHADVRSCKFJRA-FOCLMDBBSA-N -1 0 353.353 3.185 50 0 FGAARM CCCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1cc(C)ccc1OC ZINC000033048571 494039856 /nfs/dbraw/zinc/03/98/56/494039856.db2.gz MXFPNDMTKQUGNE-UHFFFAOYSA-N -1 0 370.413 3.052 50 0 FGAARM CCOc1ccc(-c2ccnc(N(C)Cc3cc(C)no3)n2)cc1C(=O)[O-] ZINC000077394307 494075717 /nfs/dbraw/zinc/07/57/17/494075717.db2.gz JGYYEGZAKIQVCB-UHFFFAOYSA-N -1 0 368.393 3.173 50 0 FGAARM CCO[P@](=O)([O-])c1nc(-c2ccc(C)cc2)oc1N1CCCCC1 ZINC000035681760 494081238 /nfs/dbraw/zinc/08/12/38/494081238.db2.gz BYRQRYHAALETGR-UHFFFAOYSA-N -1 0 350.355 3.488 50 0 FGAARM CN(C(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1)C1CCCCC1 ZINC000071286994 494090922 /nfs/dbraw/zinc/09/09/22/494090922.db2.gz LZGQJBGJUPQHQE-IRXDYDNUSA-N -1 0 372.465 3.387 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2N2CCOCC2)s1 ZINC000037136652 494101437 /nfs/dbraw/zinc/10/14/37/494101437.db2.gz QTBFRKMOHNMBAQ-UHFFFAOYSA-N -1 0 372.899 3.347 50 0 FGAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)c2ccccc21 ZINC000071818152 494103651 /nfs/dbraw/zinc/10/36/51/494103651.db2.gz AYNFLAMFMNCHJN-FROQITRMSA-N -1 0 373.430 3.105 50 0 FGAARM O=C([O-])c1ccc(Br)cc1NS(=O)(=O)c1cccc(F)c1 ZINC000037742536 494108529 /nfs/dbraw/zinc/10/85/29/494108529.db2.gz XQKMPJOHNVXFHM-UHFFFAOYSA-N -1 0 374.187 3.087 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCC(=O)[O-])cc2)c(C)c1 ZINC000072312985 494151922 /nfs/dbraw/zinc/15/19/22/494151922.db2.gz IBFMJGOEOQUKOF-UHFFFAOYSA-N -1 0 361.419 3.152 50 0 FGAARM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(Cc2c[nH]cn2)CC1 ZINC000072424154 494170530 /nfs/dbraw/zinc/17/05/30/494170530.db2.gz PJVKPUGUYPBTSS-UHFFFAOYSA-N -1 0 351.406 3.061 50 0 FGAARM Cc1nc2c(s1)CCC[C@H]2Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072457542 494177920 /nfs/dbraw/zinc/17/79/20/494177920.db2.gz JMKLGWJTBWSQTE-CYBMUJFWSA-N -1 0 367.434 3.491 50 0 FGAARM CSc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)CC(C(=O)[O-])=N2 ZINC000012390423 494229218 /nfs/dbraw/zinc/22/92/18/494229218.db2.gz XKBVSJIQUILYRS-JTQLQIEISA-N -1 0 357.222 3.290 50 0 FGAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1)C1CC1 ZINC000012604569 494246396 /nfs/dbraw/zinc/24/63/96/494246396.db2.gz ZKHZPZZNNVKFIB-UHFFFAOYSA-N -1 0 352.362 3.114 50 0 FGAARM CC(C)c1ccc(NC(=O)CSc2nn(-c3ccccc3)c(=O)[n-]2)cc1 ZINC000012985721 494273793 /nfs/dbraw/zinc/27/37/93/494273793.db2.gz IVXHJRZVNAKTCS-UHFFFAOYSA-N -1 0 368.462 3.415 50 0 FGAARM Cc1nn(C)c2sc(C(=O)N[C@H](CC(=O)[O-])c3ccc(C)cc3)cc12 ZINC000013258345 494283788 /nfs/dbraw/zinc/28/37/88/494283788.db2.gz UIWBVVZNYZNGRY-CQSZACIVSA-N -1 0 357.435 3.197 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)c1 ZINC000013947983 494299047 /nfs/dbraw/zinc/29/90/47/494299047.db2.gz IKNAUDSQMRHJDM-UHFFFAOYSA-N -1 0 364.448 3.423 50 0 FGAARM CSc1nn2c([n-]1)nc(C)c(Cc1ccc(Br)cc1)c2=O ZINC000018240875 494430882 /nfs/dbraw/zinc/43/08/82/494430882.db2.gz AVVSVKBRSDLHIX-UHFFFAOYSA-N -1 0 365.256 3.214 50 0 FGAARM CC1CCN(C(=O)c2cccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c2)CC1 ZINC000020112980 494467196 /nfs/dbraw/zinc/46/71/96/494467196.db2.gz KOKMBZCBQMOGOV-QZTJIDSGSA-N -1 0 372.465 3.388 50 0 FGAARM COc1ccc(C)cc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000020500524 494474958 /nfs/dbraw/zinc/47/49/58/494474958.db2.gz UWTAMHJNOKGFNC-MRXNPFEDSA-N -1 0 371.414 3.126 50 0 FGAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)Cn2c3ccccc3nc2C2CC2)C1 ZINC000091595864 494622888 /nfs/dbraw/zinc/62/28/88/494622888.db2.gz LZUNDOFSLBLKNA-FQEVSTJZSA-N -1 0 355.438 3.017 50 0 FGAARM COc1cccc([C@@H]2C[N@H+](Cc3ccc(OC)cc3F)C[C@H]2C(=O)[O-])c1 ZINC000091746810 494664863 /nfs/dbraw/zinc/66/48/63/494664863.db2.gz LPOWFDUNHSOBLE-ZWKOTPCHSA-N -1 0 359.397 3.143 50 0 FGAARM Cc1cc(F)ccc1C(=O)N1CCc2c(c(C(=O)[O-])nn2CCC(C)C)C1 ZINC000067884421 494679578 /nfs/dbraw/zinc/67/95/78/494679578.db2.gz UYOYSYAYIHNENE-UHFFFAOYSA-N -1 0 373.428 3.273 50 0 FGAARM O=C([O-])c1cc(CN2CCc3onc(-c4cccc(F)c4)c3C2)ccc1O ZINC000067956141 494708008 /nfs/dbraw/zinc/70/80/08/494708008.db2.gz LEHXCJIFSIOGCP-UHFFFAOYSA-N -1 0 368.364 3.443 50 0 FGAARM CCc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)cc1 ZINC000026529032 494830584 /nfs/dbraw/zinc/83/05/84/494830584.db2.gz WBNGJRINNUJWAX-UHFFFAOYSA-N -1 0 373.883 3.107 50 0 FGAARM CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1CCCCCCC(=O)[O-] ZINC000027639688 494879099 /nfs/dbraw/zinc/87/90/99/494879099.db2.gz GMVPRGQOIOIIMI-GPHQNJPRSA-N -1 0 354.487 3.475 50 0 in-vitro FGAARM Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccc(C(=O)[O-])c3)cc2)n1 ZINC000095354401 494961768 /nfs/dbraw/zinc/96/17/68/494961768.db2.gz DOCJSPRPABKPPK-UHFFFAOYSA-N -1 0 363.417 3.176 50 0 FGAARM CC(C)c1ccc([C@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)cc1 ZINC000095358714 494963834 /nfs/dbraw/zinc/96/38/34/494963834.db2.gz PHKNGVFXNGKNJG-HXUWFJFHSA-N -1 0 353.466 3.149 50 0 FGAARM O=C([O-])[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)c1ccccc1Cl ZINC000095388349 494973278 /nfs/dbraw/zinc/97/32/78/494973278.db2.gz CHDGFKNHWGZXHM-KRWDZBQOSA-N -1 0 369.808 3.141 50 0 FGAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@@H]3c2cccnc2)cc1 ZINC000095476037 494979251 /nfs/dbraw/zinc/97/92/51/494979251.db2.gz MOTUXNNSBWLAKN-MRXNPFEDSA-N -1 0 366.402 3.390 50 0 FGAARM COC(=O)c1[n-]c(=NC(=O)c2cccc3c2ccn3C)sc1CC(C)C ZINC000095476229 494979690 /nfs/dbraw/zinc/97/96/90/494979690.db2.gz FJUULUFBSLQJOI-UHFFFAOYSA-N -1 0 371.462 3.294 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000095481468 494980523 /nfs/dbraw/zinc/98/05/23/494980523.db2.gz DQYHXUUQGUBBEX-SJORKVTESA-N -1 0 370.359 3.075 50 0 FGAARM COc1ccccc1OC1CN(c2cc(C(=O)[O-])c3ccccc3n2)C1 ZINC000096132172 495003544 /nfs/dbraw/zinc/00/35/44/495003544.db2.gz PIYCFEWTXQAEBM-UHFFFAOYSA-N -1 0 350.374 3.209 50 0 FGAARM COCCn1c(=O)c2ccccc2c(C(=O)[O-])c1-c1c[nH]c2ccccc21 ZINC000100059043 495062648 /nfs/dbraw/zinc/06/26/48/495062648.db2.gz AQOYTHHXRKBOTE-UHFFFAOYSA-N -1 0 362.385 3.494 50 0 FGAARM CCOc1ccc(Cc2c([O-])[nH]c(=S)n(-c3ccccc3)c2=O)cc1 ZINC000100645027 495065669 /nfs/dbraw/zinc/06/56/69/495065669.db2.gz YMYJYLJKIXNEQG-UHFFFAOYSA-N -1 0 354.431 3.216 50 0 FGAARM Cc1ccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)cc1 ZINC000101802834 495100169 /nfs/dbraw/zinc/10/01/69/495100169.db2.gz QMDKSWUHCNYYNW-UHFFFAOYSA-N -1 0 359.433 3.237 50 0 FGAARM Cc1cc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1Br ZINC000128557222 495116213 /nfs/dbraw/zinc/11/62/13/495116213.db2.gz ZDZLIWYQEGJJQB-ZDUSSCGKSA-N -1 0 354.244 3.013 50 0 FGAARM O=C([O-])c1ccc(N2CCCCCC2)c(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 ZINC000106753631 495493559 /nfs/dbraw/zinc/49/35/59/495493559.db2.gz JJFITPHGSXPRIH-HZPDHXFCSA-N -1 0 368.433 3.221 50 0 FGAARM O=C([O-])C[C@H]1S/C(=N/C2CCCCC2)N(c2ccc(F)cc2)C1=O ZINC000230215885 497103875 /nfs/dbraw/zinc/10/38/75/497103875.db2.gz FLVLNGVBMQWMCE-UFOSLELVSA-N -1 0 350.415 3.438 50 0 FGAARM CC(C)c1noc2ncc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cc21 ZINC000236640279 497125282 /nfs/dbraw/zinc/12/52/82/497125282.db2.gz LGUVYAGRLVLNPJ-CQDKDKBSSA-N -1 0 357.410 3.204 50 0 FGAARM CCOc1ccc(-c2nc(CC(=O)N3CC[C@@](C)(C(=O)[O-])C3)cs2)cc1 ZINC000236869795 497159990 /nfs/dbraw/zinc/15/99/90/497159990.db2.gz XFZPRHFDHKROFQ-LJQANCHMSA-N -1 0 374.462 3.075 50 0 FGAARM CCn1cc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c(C(C)C)n1 ZINC000237013862 497180633 /nfs/dbraw/zinc/18/06/33/497180633.db2.gz TYQOWKCWPUMDOI-UHFFFAOYSA-N -1 0 369.465 3.285 50 0 FGAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000238030183 497329874 /nfs/dbraw/zinc/32/98/74/497329874.db2.gz APYYUDDHKWLRIS-JOCHJYFZSA-N -1 0 365.429 3.018 50 0 FGAARM O=C([O-])[C@@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000262926694 497658330 /nfs/dbraw/zinc/65/83/30/497658330.db2.gz FQJOEVLWEQSLHN-LREWSXEPSA-N -1 0 365.429 3.447 50 0 FGAARM CN(CC[C@@H]1CCCCO1)C(=O)c1cccc(-c2cc(C(=O)[O-])ccn2)c1 ZINC000299776144 497920495 /nfs/dbraw/zinc/92/04/95/497920495.db2.gz KKBYDYRQEPAIPQ-SFHVURJKSA-N -1 0 368.433 3.478 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)nc(C(C)(C)C)n3C)cn1 ZINC000332648463 498752699 /nfs/dbraw/zinc/75/26/99/498752699.db2.gz TWGNPAJYYJBKSB-UHFFFAOYSA-N -1 0 358.467 3.375 50 0 FGAARM CO[C@H]1CCCN(C(=O)c2ccc(-c3ccc(O)c(C(=O)[O-])c3)cc2)C1 ZINC000426497293 500280169 /nfs/dbraw/zinc/28/01/69/500280169.db2.gz QMGFELBUXAJIDK-INIZCTEOSA-N -1 0 355.390 3.008 50 0 FGAARM Cc1cc(C(F)(F)F)ccc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000509215514 502851125 /nfs/dbraw/zinc/85/11/25/502851125.db2.gz AHEZROLCCXKIOA-UHFFFAOYSA-N -1 0 363.361 3.495 50 0 FGAARM COc1cc(C(=O)[O-])ccc1-c1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000584888494 507557175 /nfs/dbraw/zinc/55/71/75/507557175.db2.gz GCFSUHBPNCISBG-OKILXGFUSA-N -1 0 369.417 3.310 50 0 FGAARM CC(C)n1ncc2cc(C(=O)N[C@@H]3C[C@@H](C(=O)[O-])c4ccccc43)cnc21 ZINC000653329836 568040336 /nfs/dbraw/zinc/04/03/36/568040336.db2.gz ZXKNKKJTQZRMOC-IAGOWNOFSA-N -1 0 364.405 3.055 50 0 FGAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1C ZINC000102818303 570839342 /nfs/dbraw/zinc/83/93/42/570839342.db2.gz DDSDFEOKADRKPV-RTBURBONSA-N -1 0 360.417 3.290 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2c(C)cnn2-c2ccccc2)cc1C ZINC000084505149 571087399 /nfs/dbraw/zinc/08/73/99/571087399.db2.gz SQFYQMKETHVKHV-UHFFFAOYSA-N -1 0 357.435 3.299 50 0 FGAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 ZINC000231339064 571147077 /nfs/dbraw/zinc/14/70/77/571147077.db2.gz NWZCCBGVDITGSW-OALUTQOASA-N -1 0 367.401 3.157 50 0 FGAARM CCO[C@H](C)c1nc(C(=O)[N-]S(=O)(=O)c2ccc(Cl)cc2)cs1 ZINC000123720426 571189302 /nfs/dbraw/zinc/18/93/02/571189302.db2.gz DFLLCTAGVNOEMB-SECBINFHSA-N -1 0 374.871 3.013 50 0 FGAARM O=C([O-])c1cc2cc(NC(=O)Cc3cn4c(n3)CCCC4)ccc2s1 ZINC000652058263 718906082 /nfs/dbraw/zinc/90/60/82/718906082.db2.gz PDWMAHDZFOLDFB-UHFFFAOYSA-N -1 0 355.419 3.314 50 0 FGAARM O=C(NC[C@H]1CC[C@H](C(=O)[O-])CC1)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000952962474 762536367 /nfs/dbraw/zinc/53/63/67/762536367.db2.gz AQJWGPNQZZVAAA-AULYBMBSSA-N -1 0 361.829 3.351 50 0 FGAARM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000001130799 219377361 /nfs/dbraw/zinc/37/73/61/219377361.db2.gz VDGALVINEMTTQZ-UHFFFAOYSA-N -1 0 350.415 3.012 50 0 FGAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004894006 219620177 /nfs/dbraw/zinc/62/01/77/219620177.db2.gz AUBHLOYDKRRGGF-NWDGAFQWSA-N -1 0 351.424 3.093 50 0 FGAARM Cc1nonc1CN(C)Cc1cc(-c2cccs2)ccc1OCC(=O)[O-] ZINC000299775400 203764386 /nfs/dbraw/zinc/76/43/86/203764386.db2.gz FGHQJTYPBZLILW-UHFFFAOYSA-N -1 0 373.434 3.202 50 0 FGAARM 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3.211 50 0 FGAARM O=C(N[C@H]1CCc2cc(Cl)ccc21)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000055738573 205223839 /nfs/dbraw/zinc/22/38/39/205223839.db2.gz NNSUPSSMRZTIRU-AWEZNQCLSA-N -1 0 371.849 3.283 50 0 FGAARM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)c(Cl)c1 ZINC000058377396 205272494 /nfs/dbraw/zinc/27/24/94/205272494.db2.gz UBWRZGHAVYTJRO-UHFFFAOYSA-N -1 0 369.826 3.221 50 0 FGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cc(C)ccc2C)s1 ZINC000065183757 205322322 /nfs/dbraw/zinc/32/23/22/205322322.db2.gz KUYCZSJXSVMAIU-UHFFFAOYSA-N -1 0 350.469 3.079 50 0 FGAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(C)cc3)cc2C1 ZINC000065196185 205323492 /nfs/dbraw/zinc/32/34/92/205323492.db2.gz JPNDULZRVJHWPJ-UHFFFAOYSA-N -1 0 364.492 3.152 50 0 FGAARM O=S(=O)([N-]c1cc(F)cc(F)c1)c1ccc(-c2nnc(C3CC3)o2)o1 ZINC000065246365 205328992 /nfs/dbraw/zinc/32/89/92/205328992.db2.gz LSMKHGLRODHIBH-UHFFFAOYSA-N -1 0 367.333 3.286 50 0 FGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c(C)n1C ZINC000064863212 205307348 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COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)cc1C(=O)[O-] ZINC000237319155 206100191 /nfs/dbraw/zinc/10/01/91/206100191.db2.gz FIUTTYKSOXDAGH-CHWSQXEVSA-N -1 0 361.344 3.092 50 0 FGAARM C[C@@H](Cc1ccc(F)c(Br)c1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000237323083 206100467 /nfs/dbraw/zinc/10/04/67/206100467.db2.gz OMMUIMIKFGYIPR-JQWIXIFHSA-N -1 0 372.234 3.090 50 0 FGAARM C[C@@H]1CC[C@@H](CCC(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)O1 ZINC000237377142 206102687 /nfs/dbraw/zinc/10/26/87/206102687.db2.gz AKUMPBCGJDMBJG-OCCSQVGLSA-N -1 0 355.381 3.116 50 0 FGAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237565649 206105490 /nfs/dbraw/zinc/10/54/90/206105490.db2.gz DOEBEHMQXAQKOW-CQSZACIVSA-N -1 0 364.323 3.061 50 0 FGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000237662177 206107760 /nfs/dbraw/zinc/10/77/60/206107760.db2.gz ROQVNWXUARTDPJ-MRXNPFEDSA-N -1 0 368.220 3.116 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccccc2Br)C1 ZINC000238001739 206110747 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Cc1cc(C)n([C@@H]2CCN(Cc3cc(Cl)ccc3OCC(=O)[O-])C2)n1 ZINC000215455154 206347728 /nfs/dbraw/zinc/34/77/28/206347728.db2.gz WOFRGKPOTNXBBZ-MRXNPFEDSA-N -1 0 363.845 3.064 50 0 FGAARM Cc1nc2ccccn2c1CN(C)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC000216217103 206356314 /nfs/dbraw/zinc/35/63/14/206356314.db2.gz FGLGIIGOXJWMEH-HNNXBMFYSA-N -1 0 353.422 3.127 50 0 FGAARM CCN1c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2C(C)(C)C1=O ZINC000057280452 206384323 /nfs/dbraw/zinc/38/43/23/206384323.db2.gz APNLGETYOKOUFO-UONOGXRCSA-N -1 0 358.438 3.160 50 0 FGAARM CC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000001294534 533416803 /nfs/dbraw/zinc/41/68/03/533416803.db2.gz CLCPPEXUUUWURV-SAPNQHFASA-N -1 0 353.422 3.024 50 0 FGAARM C[C@@H]1CN(c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cn2)C[C@@H](C)O1 ZINC000077223587 132178923 /nfs/dbraw/zinc/17/89/23/132178923.db2.gz QGLXVXPEUCHCAW-VXGBXAGGSA-N -1 0 361.829 3.307 50 0 FGAARM CCCCCC[C@](C)(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000095991826 132216419 /nfs/dbraw/zinc/21/64/19/132216419.db2.gz DYJNQLRBLRCJFS-FQEVSTJZSA-N -1 0 362.470 3.067 50 0 FGAARM O=C([O-])c1ccccc1OCCN1CCN(c2ccccc2Cl)CC1 ZINC000237965542 132248835 /nfs/dbraw/zinc/24/88/35/132248835.db2.gz ZXFHRXOGBCDFPB-UHFFFAOYSA-N -1 0 360.841 3.239 50 0 FGAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000215189945 132269941 /nfs/dbraw/zinc/26/99/41/132269941.db2.gz CTLLSQNVLRQWQW-FQEVSTJZSA-N -1 0 364.445 3.329 50 0 FGAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)c1 ZINC000013341031 132306771 /nfs/dbraw/zinc/30/67/71/132306771.db2.gz HEFKOWNCRWPVHD-UHFFFAOYSA-N -1 0 360.435 3.176 50 0 FGAARM CCN1C[C@@]2(CCCN(c3cc(C(=O)[O-])c4ccccc4n3)C2)CCC1=O ZINC000072479094 136149610 /nfs/dbraw/zinc/14/96/10/136149610.db2.gz GPEHTOOPDSEVKL-OAQYLSRUSA-N -1 0 367.449 3.162 50 0 FGAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NCCc1ccccc1 ZINC000002971420 263327787 /nfs/dbraw/zinc/32/77/87/263327787.db2.gz HLFRPZJYIRSDHJ-UHFFFAOYSA-N -1 0 367.474 3.198 50 0 FGAARM CCc1c([O-])nc(SCC(=O)c2ccccc2)n(-c2ccccc2)c1=O ZINC000018191856 263373290 /nfs/dbraw/zinc/37/32/90/263373290.db2.gz AHOPMFJGWXDUOV-UHFFFAOYSA-N -1 0 366.442 3.476 50 0 FGAARM COc1cccc(Oc2c(C)oc3cc(OCC(=O)[O-])ccc3c2=O)c1 ZINC000000941308 493779450 /nfs/dbraw/zinc/77/94/50/493779450.db2.gz OCDAYYGQDOIYHS-UHFFFAOYSA-N -1 0 356.330 3.366 50 0 FGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000001148092 493786695 /nfs/dbraw/zinc/78/66/95/493786695.db2.gz CJYGUWATCFOZNN-ZIAGYGMSSA-N -1 0 371.418 3.001 50 0 FGAARM CCOc1cccc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000001156524 493787349 /nfs/dbraw/zinc/78/73/49/493787349.db2.gz MBWTYTKTOFZDPQ-UHFFFAOYSA-N -1 0 358.419 3.219 50 0 FGAARM COC(=O)c1[nH]c2ccccc2c1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000002231149 493803548 /nfs/dbraw/zinc/80/35/48/493803548.db2.gz CJNUFPRTTJQREV-UHFFFAOYSA-N -1 0 358.419 3.372 50 0 FGAARM O=C([O-])C[C@H]1Sc2nc3c(n2[C@]1(O)c1ccccc1)-c1ccccc1C3 ZINC000048522859 493834914 /nfs/dbraw/zinc/83/49/14/493834914.db2.gz GVVLLXKCWICDAX-UZLBHIALSA-N -1 0 364.426 3.097 50 0 FGAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004902497 493900089 /nfs/dbraw/zinc/90/00/89/493900089.db2.gz QDMOREFVFDADFK-CHWSQXEVSA-N -1 0 365.451 3.401 50 0 FGAARM CC(C)C(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000005099666 493913654 /nfs/dbraw/zinc/91/36/54/493913654.db2.gz HBCHCJILVGSRIX-UHFFFAOYSA-N -1 0 364.492 3.484 50 0 FGAARM Cc1ccc(C2=NN(c3nc(C(=O)[O-])cs3)[C@@](O)(C(F)(F)F)C2)cc1 ZINC000005244305 493921333 /nfs/dbraw/zinc/92/13/33/493921333.db2.gz VHCWVFZYHKEZAF-AWEZNQCLSA-N -1 0 371.340 3.015 50 0 FGAARM CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000005260819 493922353 /nfs/dbraw/zinc/92/23/53/493922353.db2.gz XEYBRNLFEZDVAW-OBUVHCMGSA-N -1 0 352.471 3.251 50 0 in-vitro FGAARM COc1ccc(O)c([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)c1 ZINC000005441553 493930493 /nfs/dbraw/zinc/93/04/93/493930493.db2.gz ZFGCGJNVXLNVAK-MRXNPFEDSA-N -1 0 361.419 3.035 50 0 FGAARM O=C([O-])CCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O ZINC000006222166 493955295 /nfs/dbraw/zinc/95/52/95/493955295.db2.gz IVEAIALUVBXISA-UHFFFAOYSA-N -1 0 366.417 3.291 50 0 FGAARM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)N1CCN(Cc2cccs2)CC1 ZINC000032072915 493973341 /nfs/dbraw/zinc/97/33/41/493973341.db2.gz YZKRABWLHFDMRV-GOSISDBHSA-N -1 0 373.453 3.312 50 0 FGAARM CCc1cccc2c(/C=C3/C(=O)N(CC(=O)[O-])C(=O)c4ccccc43)c[nH]c21 ZINC000032741437 494011623 /nfs/dbraw/zinc/01/16/23/494011623.db2.gz FSVNBKLMMQQYQC-VCHYOVAHSA-N -1 0 374.396 3.338 50 0 FGAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCc3cccc(F)c32)c1 ZINC000032906746 494026483 /nfs/dbraw/zinc/02/64/83/494026483.db2.gz DVJLYQWVHHMTBR-UHFFFAOYSA-N -1 0 369.801 3.319 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4)c=3c2=O)cc1F ZINC000033114656 494045389 /nfs/dbraw/zinc/04/53/89/494045389.db2.gz BKCJVSSQZJWMNS-HUUCEWRRSA-N -1 0 358.760 3.285 50 0 FGAARM CCN(Cc1ccccc1)c1ccc(NS(=O)(=O)CC)cc1C(=O)[O-] ZINC000033253314 494054522 /nfs/dbraw/zinc/05/45/22/494054522.db2.gz CIFQFBUFQHPUNO-UHFFFAOYSA-N -1 0 362.451 3.173 50 0 FGAARM O=C([O-])c1ccc(NC(=O)c2nnc(Cc3ccccc3F)s2)cc1 ZINC000034927246 494070138 /nfs/dbraw/zinc/07/01/38/494070138.db2.gz YQLOZALSUFLDES-UHFFFAOYSA-N -1 0 357.366 3.219 50 0 FGAARM C[C@H](c1ccc(S(C)(=O)=O)cc1)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000077489808 494094962 /nfs/dbraw/zinc/09/49/62/494094962.db2.gz JFUYAZZLTFDBMF-CYBMUJFWSA-N -1 0 370.430 3.261 50 0 FGAARM Cc1ccc2c(c1)C[C@]1(CN2C)C(=O)[N-]C(=S)N(c2ccccc2)C1=O ZINC000009089768 494113790 /nfs/dbraw/zinc/11/37/90/494113790.db2.gz FAFWAALPVPWBKT-FQEVSTJZSA-N -1 0 365.458 3.262 50 0 FGAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3ccccc3F)c(=O)c12 ZINC000009316341 494120329 /nfs/dbraw/zinc/12/03/29/494120329.db2.gz VGKHSESXMAPXNO-UHFFFAOYSA-N -1 0 362.364 3.414 50 0 FGAARM COc1c(F)cc(C(=O)N2CC[C@@H](c3ccc(C(=O)[O-])cc3)C2)cc1F ZINC000072164594 494140717 /nfs/dbraw/zinc/14/07/17/494140717.db2.gz HUKXBYFCUFSTGN-CYBMUJFWSA-N -1 0 361.344 3.301 50 0 FGAARM Cc1cc([N-]S(=O)(=O)C(F)(F)F)ccc1C(=O)N[C@H](C)C(C)(C)C ZINC000072310148 494150547 /nfs/dbraw/zinc/15/05/47/494150547.db2.gz ACWZQGSINPFJMM-SNVBAGLBSA-N -1 0 366.405 3.421 50 0 FGAARM CC1(C)[C@H](C(=O)Nc2n[nH]c(C(F)(F)F)c2-c2ccccc2)[C@@H]1C(=O)[O-] ZINC000072401697 494163904 /nfs/dbraw/zinc/16/39/04/494163904.db2.gz NFXQVXWYQBOQRU-WDEREUQCSA-N -1 0 367.327 3.391 50 0 FGAARM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(Cc2ncc[nH]2)CC1 ZINC000072409344 494165951 /nfs/dbraw/zinc/16/59/51/494165951.db2.gz OJNWHAOZBYZZBI-UHFFFAOYSA-N -1 0 351.406 3.061 50 0 FGAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1cc(C3CCCCC3)no1)C2 ZINC000072473788 494179933 /nfs/dbraw/zinc/17/99/33/494179933.db2.gz SRNGECWYLPLCAD-UHFFFAOYSA-N -1 0 372.469 3.342 50 0 FGAARM COc1ccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1OC ZINC000013388168 494286393 /nfs/dbraw/zinc/28/63/93/494286393.db2.gz ONPSDOYEZAEWRU-ZDUSSCGKSA-N -1 0 363.435 3.030 50 0 FGAARM CCOc1cc(C(=O)[O-])cc(Cl)c1OS(=O)(=O)c1ccccc1 ZINC000013463363 494287903 /nfs/dbraw/zinc/28/79/03/494287903.db2.gz VJTRODKIESAUQM-UHFFFAOYSA-N -1 0 356.783 3.205 50 0 FGAARM O=c1nc2sc3c(c2c2[n-]c(COc4ccc(Cl)cc4)nn21)CCC3 ZINC000013552418 494289461 /nfs/dbraw/zinc/28/94/61/494289461.db2.gz QOVGMHBQMSKVRW-UHFFFAOYSA-N -1 0 372.837 3.353 50 0 FGAARM CCOC(=O)C1=C(C)N(CCCCCC(=O)[O-])C(=O)N[C@H]1c1ccccc1 ZINC000014246093 494313127 /nfs/dbraw/zinc/31/31/27/494313127.db2.gz XYSGIUGPLIGKSE-SFHVURJKSA-N -1 0 374.437 3.235 50 0 FGAARM Cc1ccc(N2N=C(Br)C[C@H]2C(=O)[O-])c(Br)c1 ZINC000079059213 494398374 /nfs/dbraw/zinc/39/83/74/494398374.db2.gz BWBSZVIJUIIUHE-VIFPVBQESA-N -1 0 362.021 3.129 50 0 FGAARM CC(C)Oc1ccc([C@H]2CC(=O)N(c3ccccc3C(=O)[O-])C2=O)cc1 ZINC000019791367 494460092 /nfs/dbraw/zinc/46/00/92/494460092.db2.gz DVYFRCABZPJQDP-MRXNPFEDSA-N -1 0 353.374 3.219 50 0 FGAARM CC(=O)c1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000019878571 494462907 /nfs/dbraw/zinc/46/29/07/494462907.db2.gz JLTWKMJCVNVCMP-MRXNPFEDSA-N -1 0 369.398 3.012 50 0 FGAARM Cc1ccc(F)cc1N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019925003 494463842 /nfs/dbraw/zinc/46/38/42/494463842.db2.gz XXKGMGKCFGALCU-HNNXBMFYSA-N -1 0 359.378 3.257 50 0 FGAARM CCn1ncc(-c2cc(C(F)(F)F)c3c(C)nn(CC(=O)[O-])c3n2)c1C ZINC000020349737 494471266 /nfs/dbraw/zinc/47/12/66/494471266.db2.gz ZRYREPXUAHXRPF-UHFFFAOYSA-N -1 0 367.331 3.035 50 0 FGAARM C[C@H](NC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)C(=O)[O-] ZINC000020734153 494480659 /nfs/dbraw/zinc/48/06/59/494480659.db2.gz HGBZYEHCMXHKKU-ZETCQYMHSA-N -1 0 359.234 3.249 50 0 FGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(F)c3ncccc23)c1 ZINC000024578792 494642149 /nfs/dbraw/zinc/64/21/49/494642149.db2.gz XUMUWXJNYUFCQR-UHFFFAOYSA-N -1 0 362.382 3.192 50 0 FGAARM CC(C)COC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000067988139 494720062 /nfs/dbraw/zinc/72/00/62/494720062.db2.gz GYDWMTGSXJTPFB-HOTGVXAUSA-N -1 0 360.410 3.497 50 0 FGAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(F)c(C)c2)n1 ZINC000075505071 494780955 /nfs/dbraw/zinc/78/09/55/494780955.db2.gz QTEANRPZZKBIQS-UHFFFAOYSA-N -1 0 364.402 3.238 50 0 FGAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1cccc(F)c1F ZINC000116601614 494823601 /nfs/dbraw/zinc/82/36/01/494823601.db2.gz PJHSQBUOROPARH-UHFFFAOYSA-N -1 0 353.394 3.151 50 0 FGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCn3cc(Cl)cn3)C2)cc1 ZINC000095359371 494963336 /nfs/dbraw/zinc/96/33/36/494963336.db2.gz APRSPABQTQUDHE-HNNXBMFYSA-N -1 0 361.829 3.031 50 0 FGAARM O=C([O-])c1cccc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000095367562 494965660 /nfs/dbraw/zinc/96/56/60/494965660.db2.gz CSALUTBGXNYAKT-OAHLLOKOSA-N -1 0 363.410 3.092 50 0 FGAARM Cc1csc(S(=O)(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1 ZINC000095369661 494966998 /nfs/dbraw/zinc/96/69/98/494966998.db2.gz KTLWWEOWOCMWRB-OAHLLOKOSA-N -1 0 365.476 3.323 50 0 FGAARM Cc1oc(-c2ccccc2)nc1CC(=O)N(CC(=O)[O-])Cc1ccccc1 ZINC000095424487 494975138 /nfs/dbraw/zinc/97/51/38/494975138.db2.gz LTXJSNQCPRPGKL-UHFFFAOYSA-N -1 0 364.401 3.306 50 0 FGAARM Cc1cc(-n2c(C)cc(C(=O)Nc3cccc(OCC(=O)[O-])c3)c2C)no1 ZINC000095956943 494991269 /nfs/dbraw/zinc/99/12/69/494991269.db2.gz SFIUZKDXGPNJDI-UHFFFAOYSA-N -1 0 369.377 3.106 50 0 FGAARM C[C@@H](NC(=O)COC(=O)c1cc(F)c([O-])c(F)c1)c1ccc(Cl)cc1 ZINC000095963491 494992336 /nfs/dbraw/zinc/99/23/36/494992336.db2.gz SZSCBQCMJXIRMA-SECBINFHSA-N -1 0 369.751 3.358 50 0 FGAARM COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(=O)/C=C\C(=O)[O-] ZINC000100277968 495064808 /nfs/dbraw/zinc/06/48/08/495064808.db2.gz HTYFKYNJJYRMJB-HJWRWDBZSA-N -1 0 359.403 3.013 50 0 FGAARM CCCCn1c2ccccc2c([O-])c(C(=O)NCCc2ccccc2)c1=O ZINC000100511004 495065280 /nfs/dbraw/zinc/06/52/80/495065280.db2.gz OAASGLOMBQATPO-UHFFFAOYSA-N -1 0 364.445 3.480 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000101418345 495068773 /nfs/dbraw/zinc/06/87/73/495068773.db2.gz UEZTVNQCDFHNTE-IRXDYDNUSA-N -1 0 368.824 3.396 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)c3cccc(F)c3)cc2[n-]c1=S ZINC000102173311 495124122 /nfs/dbraw/zinc/12/41/22/495124122.db2.gz MOWRKFOPTRZKMD-LLVKDONJSA-N -1 0 371.437 3.335 50 0 FGAARM CCOc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@@H]32)ccc1OCC(=O)[O-] ZINC000268875225 496811776 /nfs/dbraw/zinc/81/17/76/496811776.db2.gz APMUIKKXTLTWEB-FMKPAKJESA-N -1 0 361.438 3.342 50 0 FGAARM COc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)[C@H](C)C4)cc1 ZINC000199908903 496972625 /nfs/dbraw/zinc/97/26/25/496972625.db2.gz MGTMCKCHVSYPEW-LLVKDONJSA-N -1 0 350.374 3.085 50 0 FGAARM O=S(=O)([N-]c1nnc2ccccn21)c1ccc(SC(F)(F)F)cc1 ZINC000225550169 497066563 /nfs/dbraw/zinc/06/65/63/497066563.db2.gz QFIOVQZETFTNAP-UHFFFAOYSA-N -1 0 374.369 3.142 50 0 FGAARM CC(C)(C)c1ccc([C@H]2CCCN2C(=O)CN2CCC[C@@H]2C(=O)[O-])cc1 ZINC000236707624 497136314 /nfs/dbraw/zinc/13/63/14/497136314.db2.gz YKCRTRWGQBEMMT-QZTJIDSGSA-N -1 0 358.482 3.197 50 0 FGAARM O=S(=O)([N-]c1nnc(C2(c3ccccc3)CC2)s1)c1cccs1 ZINC000252489094 497304760 /nfs/dbraw/zinc/30/47/60/497304760.db2.gz JFIKZMZBDAXXAN-UHFFFAOYSA-N -1 0 363.489 3.480 50 0 FGAARM Cc1ccc(CS(=O)(=O)[N-]C(=O)CCc2c[nH]c3ccccc23)c(C)c1 ZINC000252487246 497304786 /nfs/dbraw/zinc/30/47/86/497304786.db2.gz HTNXRBXZQFTXCY-UHFFFAOYSA-N -1 0 370.474 3.364 50 0 FGAARM Cc1[nH]nc(-c2ccc(F)cc2)c1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000253403256 497331713 /nfs/dbraw/zinc/33/17/13/497331713.db2.gz GZTQUOVXPOQHEW-IBGZPJMESA-N -1 0 367.380 3.009 50 0 FGAARM Cc1nc(-c2ncc(C(F)(F)F)cc2F)nc(SCC(=O)[O-])c1F ZINC000261494920 497414235 /nfs/dbraw/zinc/41/42/35/497414235.db2.gz SVTBUCPMWTUMLO-UHFFFAOYSA-N -1 0 365.283 3.321 50 0 FGAARM Cc1ccc(-c2[n-][nH]c(=NC(=O)[C@H]3CCCN3C(=O)CC(C)(C)C)c2C)o1 ZINC000331384645 498314900 /nfs/dbraw/zinc/31/49/00/498314900.db2.gz HURLTBVVZLUNKB-CQSZACIVSA-N -1 0 372.469 3.074 50 0 FGAARM CSCC[C@H](NC(=O)N(Cc1c(F)cccc1Cl)C1CC1)C(=O)[O-] ZINC000426597154 500292795 /nfs/dbraw/zinc/29/27/95/500292795.db2.gz BUKRCGMIAWIECD-AWEZNQCLSA-N -1 0 374.865 3.359 50 0 FGAARM COc1cc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)ccc1OCCC(C)C ZINC000020737913 522922237 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369.417 3.010 50 0 FGAARM O=C([O-])c1ccccc1-c1cn(Cc2cnn(-c3cccc(F)c3)c2)nn1 ZINC000095377294 209038562 /nfs/dbraw/zinc/03/85/62/209038562.db2.gz RKNOKJMCKQLNDJ-UHFFFAOYSA-N -1 0 363.352 3.016 50 0 FGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccccc1Cl)c2=O ZINC000095483243 209059922 /nfs/dbraw/zinc/05/99/22/209059922.db2.gz AVUGMIVGHLKGKZ-UHFFFAOYSA-N -1 0 360.822 3.174 50 0 FGAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cccs1 ZINC000226750641 132287969 /nfs/dbraw/zinc/28/79/69/132287969.db2.gz ZMBDKWSRJNGBPB-CQSZACIVSA-N -1 0 374.462 3.172 50 0 FGAARM O=S(=O)([N-]c1cc(Cl)ccc1N1CCOCC1)c1ccccc1F ZINC000002640684 132383833 /nfs/dbraw/zinc/38/38/33/132383833.db2.gz XWKFAKITMFLELK-UHFFFAOYSA-N -1 0 370.833 3.117 50 0 FGAARM Cc1cnc(C)c(N2CCC[C@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 ZINC000071754497 136140340 /nfs/dbraw/zinc/14/03/40/136140340.db2.gz LPXGOTVSCREXPW-LJQANCHMSA-N -1 0 361.392 3.286 50 0 FGAARM O=C([O-])C1(Oc2ccccc2)CCN(c2ncnc3sccc32)CC1 ZINC000072454524 136148441 /nfs/dbraw/zinc/14/84/41/136148441.db2.gz ZMYRERVWUZGDSQ-UHFFFAOYSA-N -1 0 355.419 3.194 50 0 FGAARM CC(=O)c1ccc(OCCn2c3ccccc3nc2SCC(=O)[O-])cc1 ZINC000000781715 493772831 /nfs/dbraw/zinc/77/28/31/493772831.db2.gz NDDFHINHHAZEET-UHFFFAOYSA-N -1 0 370.430 3.495 50 0 FGAARM O=C([N-]S(=O)(=O)c1ccc(Br)cc1)c1ccc(Cl)cc1 ZINC000001183821 493789228 /nfs/dbraw/zinc/78/92/28/493789228.db2.gz ZOMFQJYXQNCBCR-UHFFFAOYSA-N -1 0 374.643 3.221 50 0 FGAARM COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@H]1c1ccc(Cl)cc1Cl ZINC000001403906 493793217 /nfs/dbraw/zinc/79/32/17/493793217.db2.gz ATWQDQHLZBADDO-CQSZACIVSA-N -1 0 356.205 3.486 50 0 FGAARM CSCC[C@H](NC(=O)NCC(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000002408826 493807688 /nfs/dbraw/zinc/80/76/88/493807688.db2.gz ANYAGSXDUORRHG-SFHVURJKSA-N -1 0 372.490 3.324 50 0 FGAARM CC(C)c1ccc(NC(=O)c2sc3[nH]c(=O)c(C(=O)[O-])cc3c2N)cc1 ZINC000002459675 493809051 /nfs/dbraw/zinc/80/90/51/493809051.db2.gz MTWWAOISYIVPOB-UHFFFAOYSA-N -1 0 371.418 3.246 50 0 FGAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCCCC1 ZINC000002460338 493809114 /nfs/dbraw/zinc/80/91/14/493809114.db2.gz AZNDQFIGRPVMIG-UHFFFAOYSA-N -1 0 350.465 3.175 50 0 FGAARM CCC[C@H](C)C(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H](C)CCC)cc1 ZINC000002728250 493817610 /nfs/dbraw/zinc/81/76/10/493817610.db2.gz QKRUAMFBSTVHDA-KBPBESRZSA-N -1 0 368.499 3.302 50 0 FGAARM CC(C)(C)OC(=O)CSc1nc([O-])cc(=O)n1-c1ccc(Cl)cc1 ZINC000058167702 493828996 /nfs/dbraw/zinc/82/89/96/493828996.db2.gz BTUNWDDRPIUPBO-UHFFFAOYSA-N -1 0 368.842 3.025 50 0 FGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cccc(Cl)c3)c1)CCC2 ZINC000058365496 493847046 /nfs/dbraw/zinc/84/70/46/493847046.db2.gz OQTKZODIHQDWNM-UHFFFAOYSA-N -1 0 351.811 3.328 50 0 FGAARM Cc1cccc(N(CC(=O)[O-])[C@@H]2SC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000003653232 493856855 /nfs/dbraw/zinc/85/68/55/493856855.db2.gz KZEIPYRWOLXGQH-GOSISDBHSA-N -1 0 370.430 3.421 50 0 FGAARM COc1cc(OC)cc(C(=O)N[C@@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c1 ZINC000003898139 493859331 /nfs/dbraw/zinc/85/93/31/493859331.db2.gz LMDHNGLLHXJIKJ-GZDOSPBESA-N -1 0 373.449 3.103 50 0 FGAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@H]2c1cccnc1 ZINC000049547839 493875923 /nfs/dbraw/zinc/87/59/23/493875923.db2.gz HHUVNQCMXGHEBC-AWEZNQCLSA-N -1 0 351.337 3.184 50 0 FGAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004902493 493899707 /nfs/dbraw/zinc/89/97/07/493899707.db2.gz QDMOREFVFDADFK-STQMWFEESA-N -1 0 365.451 3.401 50 0 FGAARM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3Cl)ccc21 ZINC000005099531 493913361 /nfs/dbraw/zinc/91/33/61/493913361.db2.gz OOBVRDLDNLPPJL-UHFFFAOYSA-N -1 0 364.854 3.440 50 0 FGAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 ZINC000005134619 493915271 /nfs/dbraw/zinc/91/52/71/493915271.db2.gz HLLAYHGOHRYRRH-UHFFFAOYSA-N -1 0 357.790 3.297 50 0 FGAARM CCCCNc1nnc(SCc2nc(=O)c3sccc3[n-]2)s1 ZINC000006907343 493985973 /nfs/dbraw/zinc/98/59/73/493985973.db2.gz DTZWUCAZFZNECN-UHFFFAOYSA-N -1 0 353.498 3.340 50 0 FGAARM COc1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1NC(=O)C(C)C ZINC000071279836 494089541 /nfs/dbraw/zinc/08/95/41/494089541.db2.gz NUPDSQIYRHWABQ-UHFFFAOYSA-N -1 0 370.405 3.169 50 0 FGAARM CC(C)c1nc(Cc2ccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)no1 ZINC000071287918 494090658 /nfs/dbraw/zinc/09/06/58/494090658.db2.gz XWYVXKKKOJKECO-LSDHHAIUSA-N -1 0 357.410 3.079 50 0 FGAARM CCCN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000008840535 494106221 /nfs/dbraw/zinc/10/62/21/494106221.db2.gz HOKDFGVLDPWMOB-UHFFFAOYSA-N -1 0 350.465 3.238 50 0 FGAARM O=S(=O)([N-]c1ccccc1OC(F)(F)F)c1c[nH]c2ncccc12 ZINC000072014954 494116618 /nfs/dbraw/zinc/11/66/18/494116618.db2.gz SLCFQSFAMSBUJG-UHFFFAOYSA-N -1 0 357.313 3.262 50 0 FGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cc(C)cc(C)c2)c(C)n1C ZINC000064863247 494156495 /nfs/dbraw/zinc/15/64/95/494156495.db2.gz YXGJLJCMRAEAGG-UHFFFAOYSA-N -1 0 364.467 3.236 50 0 FGAARM COc1cccc(NC(=O)N2CC[C@H](Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000072425323 494170597 /nfs/dbraw/zinc/17/05/97/494170597.db2.gz RDTJDPYLSLYLSM-OAHLLOKOSA-N -1 0 354.406 3.490 50 0 FGAARM O=C(NC1CCCC1)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000011411829 494177438 /nfs/dbraw/zinc/17/74/38/494177438.db2.gz SJXMDTKUZXNVGH-UHFFFAOYSA-N -1 0 369.446 3.373 50 0 FGAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000065183841 494177986 /nfs/dbraw/zinc/17/79/86/494177986.db2.gz HOJKEEDDMBTQCY-UHFFFAOYSA-N -1 0 354.432 3.163 50 0 FGAARM CCC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccccc3C)cc2C1 ZINC000065196167 494178574 /nfs/dbraw/zinc/17/85/74/494178574.db2.gz QLLNHHPKOBBLCB-UHFFFAOYSA-N -1 0 364.492 3.152 50 0 FGAARM O=C(Nc1cccc(OC(F)(F)F)c1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215269 494179862 /nfs/dbraw/zinc/17/98/62/494179862.db2.gz OYHXTHGCIOHNRB-UHFFFAOYSA-N -1 0 370.308 3.446 50 0 FGAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cc(OC)cc(OC)c2)c1=O ZINC000065215452 494179864 /nfs/dbraw/zinc/17/98/64/494179864.db2.gz RBBUTXNMKRJGON-UHFFFAOYSA-N -1 0 374.418 3.058 50 0 FGAARM Cc1ccc(-n2c(Cc3ccc(O)cc3)nnc2SCC(=O)[O-])cc1 ZINC000065420596 494195037 /nfs/dbraw/zinc/19/50/37/494195037.db2.gz KSGVGGCWWFACJL-UHFFFAOYSA-N -1 0 355.419 3.049 50 0 FGAARM COCCn1ccc2cc([N-]S(=O)(=O)c3cc(C)ccc3O)ccc21 ZINC000065530105 494211317 /nfs/dbraw/zinc/21/13/17/494211317.db2.gz AQNNXGIUAWJUGP-UHFFFAOYSA-N -1 0 360.435 3.103 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(C(F)(F)F)cc1 ZINC000012747075 494254229 /nfs/dbraw/zinc/25/42/29/494254229.db2.gz BMVIBCYXHZJNKL-UHFFFAOYSA-N -1 0 367.352 3.276 50 0 FGAARM COc1ccc(OCCCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1 ZINC000012759845 494255836 /nfs/dbraw/zinc/25/58/36/494255836.db2.gz LPOVWHHPEVMALF-OAHLLOKOSA-N -1 0 363.435 3.248 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(Cl)ccc1F ZINC000012762145 494256622 /nfs/dbraw/zinc/25/66/22/494256622.db2.gz XUCOPRJAPGWVFO-UHFFFAOYSA-N -1 0 351.790 3.049 50 0 FGAARM COC(=O)C1=C(C)N(c2ccc(C(=O)[O-])cc2)C(=O)N[C@@H]1c1ccccc1 ZINC000012862827 494265971 /nfs/dbraw/zinc/26/59/71/494265971.db2.gz ZQBXJGDIVQKFRT-QGZVFWFLSA-N -1 0 366.373 3.103 50 0 FGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccccc1C ZINC000012997078 494275216 /nfs/dbraw/zinc/27/52/16/494275216.db2.gz RNMCVZYQSIUUGZ-UHFFFAOYSA-N -1 0 367.424 3.171 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCc2ccc(F)cc2)CC1 ZINC000013257452 494282411 /nfs/dbraw/zinc/28/24/11/494282411.db2.gz JDZZJNHGRAKCLR-UHFFFAOYSA-N -1 0 355.409 3.403 50 0 FGAARM CNC(=O)c1ccc(Cl)cc1NC(=O)CC1(C(=O)[O-])CCCCC1 ZINC000055150817 494307537 /nfs/dbraw/zinc/30/75/37/494307537.db2.gz IQTFQEVPAQSJEK-UHFFFAOYSA-N -1 0 352.818 3.063 50 0 FGAARM CC1(C)COC2(CCN(C(=O)c3ccc4[n-]c(=S)oc4c3)CC2)OC1 ZINC000073283891 494351379 /nfs/dbraw/zinc/35/13/79/494351379.db2.gz XZXLXJNFWHERCB-UHFFFAOYSA-N -1 0 362.451 3.496 50 0 FGAARM CCCNC(=O)c1sc(-n2[n-]c(C)c(Cc3ccccc3)c2=O)nc1C ZINC000015671492 494364882 /nfs/dbraw/zinc/36/48/82/494364882.db2.gz VMCJDNWWBKSSJT-UHFFFAOYSA-N -1 0 370.478 3.382 50 0 FGAARM Cc1ccccc1C(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000015861961 494370732 /nfs/dbraw/zinc/37/07/32/494370732.db2.gz KOUWYYNTDKUCCR-UHFFFAOYSA-N -1 0 361.448 3.229 50 0 FGAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2)N1CCCC1 ZINC000016121258 494378736 /nfs/dbraw/zinc/37/87/36/494378736.db2.gz YCOOPOXFXNCITG-UHFFFAOYSA-N -1 0 370.474 3.212 50 0 FGAARM COc1ccccc1-c1cc([N-]S(=O)(=O)c2cc(F)cc(F)c2)n[nH]1 ZINC000079015914 494393556 /nfs/dbraw/zinc/39/35/56/494393556.db2.gz OZMAUCONAHZMPX-UHFFFAOYSA-N -1 0 365.361 3.164 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 ZINC000017074917 494407487 /nfs/dbraw/zinc/40/74/87/494407487.db2.gz VQZWPWMVAPRKKJ-STQMWFEESA-N -1 0 364.467 3.204 50 0 FGAARM CC(=O)n1c2ccccc2nc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000020311087 494471055 /nfs/dbraw/zinc/47/10/55/494471055.db2.gz KXBFTVYQLMZZDV-UHFFFAOYSA-N -1 0 369.402 3.125 50 0 FGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000020574882 494476970 /nfs/dbraw/zinc/47/69/70/494476970.db2.gz HMODNWPFOVXMPY-UHFFFAOYSA-N -1 0 350.440 3.226 50 0 FGAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)NCCC(=O)[O-] ZINC000020745059 494480756 /nfs/dbraw/zinc/48/07/56/494480756.db2.gz CZRGNLCFGIDBND-UHFFFAOYSA-N -1 0 374.340 3.222 50 0 FGAARM O=C(NCc1ccccc1)C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000024110290 494608637 /nfs/dbraw/zinc/60/86/37/494608637.db2.gz RFWOAYQAMMKAST-UHFFFAOYSA-N -1 0 372.852 3.214 50 0 FGAARM CCn1nc(C(=O)[O-])c2c1CCN(C(=O)c1cc3c(s1)CCCCC3)C2 ZINC000067973545 494716650 /nfs/dbraw/zinc/71/66/50/494716650.db2.gz AVFGCQLRYQHARK-UHFFFAOYSA-N -1 0 373.478 3.130 50 0 FGAARM O=C([O-])CCOCCNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000075629636 494804211 /nfs/dbraw/zinc/80/42/11/494804211.db2.gz LHBCOPWWQKLECJ-UHFFFAOYSA-N -1 0 355.390 3.016 50 0 FGAARM Cc1ccc(-n2[n-]c(C(=O)NCc3ccccc3OC(F)F)cc2=O)cc1 ZINC000173769010 495683953 /nfs/dbraw/zinc/68/39/53/495683953.db2.gz UVBBAQBRUAASGB-UHFFFAOYSA-N -1 0 373.359 3.005 50 0 FGAARM O=C([O-])[C@H]1CN(C(=O)CCc2nc3ccccc3s2)c2ccccc21 ZINC000177477678 496076306 /nfs/dbraw/zinc/07/63/06/496076306.db2.gz 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ZINC000263020591 497683505 /nfs/dbraw/zinc/68/35/05/497683505.db2.gz MBXWGAVFPKXZFT-GJZGRUSLSA-N -1 0 357.406 3.103 50 0 FGAARM C[C@@H](NC(=O)[C@@H](C)c1c(F)cccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC000263193946 497729625 /nfs/dbraw/zinc/72/96/25/497729625.db2.gz YABIDERXNWRDNB-NWDGAFQWSA-N -1 0 363.360 3.409 50 0 FGAARM O=S(=O)([N-]c1ncn(C2CCCCC2)n1)c1cc(F)cc(Cl)c1 ZINC000329683189 497867027 /nfs/dbraw/zinc/86/70/27/497867027.db2.gz ZAYIDKCWXHQUBR-UHFFFAOYSA-N -1 0 358.826 3.377 50 0 FGAARM CN(Cc1ccc(Cl)s1)C(=O)CN1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299744541 497912455 /nfs/dbraw/zinc/91/24/55/497912455.db2.gz SUXGMNXMQAEXPQ-XBFCOCLRSA-N -1 0 370.902 3.078 50 0 FGAARM CC(C)(C)c1nc(=NC(=O)N2CCC(Cc3cccnc3)CC2)s[n-]1 ZINC000329143880 499054521 /nfs/dbraw/zinc/05/45/21/499054521.db2.gz MMKINRVALHUYSN-UHFFFAOYSA-N -1 0 359.499 3.139 50 0 FGAARM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000521393946 504726259 /nfs/dbraw/zinc/72/62/59/504726259.db2.gz RZNHLHXYKKSMKO-KRWDZBQOSA-N 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CCOc1cc(S(=O)(=O)[N-]c2ncccc2C)c(OCC)cc1C ZINC000008714970 207244171 /nfs/dbraw/zinc/24/41/71/207244171.db2.gz PFYNXHGOKLUWJI-UHFFFAOYSA-N -1 0 350.440 3.297 50 0 FGAARM O=C([N-]c1nnc(SCc2ccc(F)cc2)s1)c1csnn1 ZINC000011915817 207329505 /nfs/dbraw/zinc/32/95/05/207329505.db2.gz ILKLUEVOSQJKHB-UHFFFAOYSA-N -1 0 353.429 3.073 50 0 FGAARM Cc1c2c(cc(=O)n1Cc1cccs1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000012407292 207371497 /nfs/dbraw/zinc/37/14/97/207371497.db2.gz YFSLUHNLSAZQQM-UHFFFAOYSA-N -1 0 355.394 3.038 50 0 FGAARM COc1ccc(Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)cc1 ZINC000012535953 207387094 /nfs/dbraw/zinc/38/70/94/207387094.db2.gz CNRBAKBVIOCYNK-UHFFFAOYSA-N -1 0 356.407 3.030 50 0 FGAARM Cc1cccc(NC(=O)C[C@@H](C)CC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000015826856 207567575 /nfs/dbraw/zinc/56/75/75/207567575.db2.gz DRKQRCWSCTYVIS-AWEZNQCLSA-N -1 0 371.462 3.372 50 0 FGAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017075078 207607497 /nfs/dbraw/zinc/60/74/97/207607497.db2.gz 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208077518 /nfs/dbraw/zinc/07/75/18/208077518.db2.gz VFMYXQQNUBODHD-UHFFFAOYSA-N -1 0 362.451 3.422 50 0 FGAARM CC[C@@H](C)[C@H](NC(=O)Cn1ccc2ccc(Br)cc21)C(=O)[O-] ZINC000036359964 208158075 /nfs/dbraw/zinc/15/80/75/208158075.db2.gz STLFENREBKAMPD-BMIGLBTASA-N -1 0 367.243 3.019 50 0 FGAARM Cc1ccc(F)cc1S(=O)(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000076019144 208193467 /nfs/dbraw/zinc/19/34/67/208193467.db2.gz CNUYDWQSFCDLAE-UHFFFAOYSA-N -1 0 351.399 3.297 50 0 FGAARM CC(=O)c1cn(CCC(=O)N[C@@H](C(=O)[O-])c2ccccc2)c2ccccc12 ZINC000040312844 208247406 /nfs/dbraw/zinc/24/74/06/208247406.db2.gz HWZMIPGGVCEOAD-HXUWFJFHSA-N -1 0 364.401 3.176 50 0 FGAARM CCO[C@H](C)c1nc(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1 ZINC000299753909 208365316 /nfs/dbraw/zinc/36/53/16/208365316.db2.gz ZTBPQZPQLBUPGA-GBOPCIDUSA-N -1 0 366.483 3.027 50 0 FGAARM O=S(=O)(Cc1coc(-c2cccc(F)c2)n1)c1nc2ccccc2[n-]1 ZINC000047940040 208384591 /nfs/dbraw/zinc/38/45/91/208384591.db2.gz NCKFFUZDLLUGJI-UHFFFAOYSA-N -1 0 357.366 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ZINC000095970787 209091896 /nfs/dbraw/zinc/09/18/96/209091896.db2.gz WVHYZUPTESWXRF-IBGZPJMESA-N -1 0 371.481 3.073 50 0 FGAARM O=C([O-])c1cccn1C1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)CC1 ZINC000095970564 209090877 /nfs/dbraw/zinc/09/08/77/209090877.db2.gz RIGLTKSINDUEIY-UHFFFAOYSA-N -1 0 355.369 3.284 50 0 FGAARM Cc1ncsc1CCC(=O)NC[C@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000095387446 209045038 /nfs/dbraw/zinc/04/50/38/209045038.db2.gz QWXYTIMUQGISJQ-ZDUSSCGKSA-N -1 0 366.870 3.412 50 0 FGAARM O=C([O-])[C@@H](c1ccoc1)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000095367670 209033350 /nfs/dbraw/zinc/03/33/50/209033350.db2.gz IOAGCXVQJMWNDL-OAHLLOKOSA-N -1 0 369.339 3.408 50 0 FGAARM COc1cc2c(cc1OC)-c1nc3c(cnn3C(C)C)c(C(=O)[O-])c1C2 ZINC000095473149 209056792 /nfs/dbraw/zinc/05/67/92/209056792.db2.gz REYWYPMYEOPEKK-UHFFFAOYSA-N -1 0 353.378 3.299 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2nccc(-c3ccccc3)n2)c(C)c1 ZINC000095944019 209088658 /nfs/dbraw/zinc/08/86/58/209088658.db2.gz NDXNBMDGLPUQNC-UHFFFAOYSA-N -1 0 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IEZNHONFYCUMQO-UHFFFAOYSA-N -1 0 374.850 3.255 50 0 FGAARM O=c1[nH]c2c(cnn2-c2ccccc2)c([O-])c1-c1nc(-c2ccccc2)no1 ZINC000065256937 494183161 /nfs/dbraw/zinc/18/31/61/494183161.db2.gz BHIHHQPNMULFMG-UHFFFAOYSA-N -1 0 371.356 3.136 50 0 FGAARM O=C([O-])CCc1[nH]nc(-c2ccc(O)cc2O)c1-c1nc2ccccc2[nH]1 ZINC000011867617 494194777 /nfs/dbraw/zinc/19/47/77/494194777.db2.gz YTSMOADDTYREDY-UHFFFAOYSA-N -1 0 364.361 3.048 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000011906584 494196345 /nfs/dbraw/zinc/19/63/45/494196345.db2.gz LVTHRFMDMQVGQR-UHFFFAOYSA-N -1 0 360.435 3.013 50 0 FGAARM O=C([O-])c1cnc(/C=C/c2cnc3ccc(Br)cn23)s1 ZINC000077998497 494212352 /nfs/dbraw/zinc/21/23/52/494212352.db2.gz GBXAMVWHXWYFIX-DUXPYHPUSA-N -1 0 350.197 3.422 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCC(C)C)cc1C ZINC000013040625 494276984 /nfs/dbraw/zinc/27/69/84/494276984.db2.gz XTLSDUZJCFGHET-UHFFFAOYSA-N -1 0 360.479 3.490 50 0 FGAARM CCCOc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1OCC ZINC000013167316 494280488 /nfs/dbraw/zinc/28/04/88/494280488.db2.gz IZIHTXYPVVWQKU-SOFGYWHQSA-N -1 0 361.438 3.211 50 0 FGAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc(C3CCCCC3)cc2)CC1 ZINC000013267469 494283417 /nfs/dbraw/zinc/28/34/17/494283417.db2.gz SYXHQDPNCGSXEM-UHFFFAOYSA-N -1 0 351.468 3.220 50 0 FGAARM COc1cccc(-c2cc(C(=O)[O-])n3nc(C)c(Br)c3n2)c1 ZINC000013645490 494291408 /nfs/dbraw/zinc/29/14/08/494291408.db2.gz LZTSDUVSCPXKJC-UHFFFAOYSA-N -1 0 362.183 3.174 50 0 FGAARM COC(=O)c1cc2ccccc2cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055149503 494306393 /nfs/dbraw/zinc/30/63/93/494306393.db2.gz ZRCCPPWKFDIABJ-CABCVRRESA-N -1 0 353.374 3.232 50 0 FGAARM CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000055150544 494307518 /nfs/dbraw/zinc/30/75/18/494307518.db2.gz IXRWWTDEWRVSGA-HOTGVXAUSA-N -1 0 358.438 3.211 50 0 FGAARM COc1ccc(NC(=O)N2CCc3ccccc3[C@H]2CC(=O)[O-])c(OC)c1 ZINC000015782090 494368083 /nfs/dbraw/zinc/36/80/83/494368083.db2.gz KIVGSAANPICKLI-QGZVFWFLSA-N -1 0 370.405 3.310 50 0 FGAARM COc1cc(OC)cc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)c1 ZINC000020723648 494480385 /nfs/dbraw/zinc/48/03/85/494480385.db2.gz SJTPJVJRZOJPIV-UHFFFAOYSA-N -1 0 367.336 3.401 50 0 FGAARM COc1c(Br)cc(F)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000074208185 494497540 /nfs/dbraw/zinc/49/75/40/494497540.db2.gz HDFLCBUEXAENTH-UHFFFAOYSA-N -1 0 362.195 3.426 50 0 FGAARM Cc1nc2sc([C@H](c3ccc(C(C)C)cc3)N3CCOCC3)c([O-])n2n1 ZINC000023157195 494554614 /nfs/dbraw/zinc/55/46/14/494554614.db2.gz DVAQKGJJMDWPTC-INIZCTEOSA-N -1 0 372.494 3.350 50 0 FGAARM O=C([O-])CCN1CCOc2c(O)cc(-c3nc4ccccc4s3)cc2C1 ZINC000067726414 494625173 /nfs/dbraw/zinc/62/51/73/494625173.db2.gz QTDBBEALWMGAHJ-UHFFFAOYSA-N -1 0 370.430 3.338 50 0 FGAARM CCCn1c2ccccc2c([O-])c(C(=O)NCc2ccccc2OC)c1=O ZINC000100621132 495065649 /nfs/dbraw/zinc/06/56/49/495065649.db2.gz DZZGMQOARQMGIH-UHFFFAOYSA-N -1 0 366.417 3.056 50 0 FGAARM Cc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)N(C)[C@@H](C)c1ccncc1 ZINC000123769717 495183262 /nfs/dbraw/zinc/18/32/62/495183262.db2.gz JIBVEZBTAQFXEB-NSHDSACASA-N -1 0 368.842 3.123 50 0 FGAARM CCCS(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)[O-])cc1 ZINC000170623645 495536694 /nfs/dbraw/zinc/53/66/94/495536694.db2.gz LVHPCJRLXGJUTH-UHFFFAOYSA-N -1 0 370.430 3.421 50 0 FGAARM CC(C)CN(c1cccc(O)c1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000170636020 495541263 /nfs/dbraw/zinc/54/12/63/495541263.db2.gz SJIJASOBYZAZDR-UHFFFAOYSA-N -1 0 355.437 3.003 50 0 FGAARM CO[C@]1(C)C[C@H](N(C)C(=O)c2cnc3c(C)cc(F)cc3c2O)C1(C)C ZINC000158671655 495563361 /nfs/dbraw/zinc/56/33/61/495563361.db2.gz GFHIBNTVHXUTJH-MGPUTAFESA-N -1 0 360.429 3.251 50 0 FGAARM Cc1cc(S(=O)(=O)[N-]c2ccc3[nH]c([C@H]4CCCO4)nc3c2)c(C)o1 ZINC000182787342 495701897 /nfs/dbraw/zinc/70/18/97/495701897.db2.gz TTYCDEMKFQCTMO-OAHLLOKOSA-N -1 0 361.423 3.425 50 0 FGAARM O=C([O-])C1(CNC(=O)c2ccc(-c3nc(C4CC4)no3)cc2)CCCCC1 ZINC000191518075 496794743 /nfs/dbraw/zinc/79/47/43/496794743.db2.gz QLAZNGSOJDGECB-UHFFFAOYSA-N -1 0 369.421 3.379 50 0 FGAARM Cc1cccc([C@H](NC(=O)Cc2ccc(C(F)(F)F)cc2)C(=O)[O-])c1 ZINC000223926649 497045396 /nfs/dbraw/zinc/04/53/96/497045396.db2.gz ARBAYUDTDBEJLV-INIZCTEOSA-N -1 0 351.324 3.498 50 0 FGAARM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237641277 497267712 /nfs/dbraw/zinc/26/77/12/497267712.db2.gz FOBZDPJXNJPVDU-NWDGAFQWSA-N -1 0 357.809 3.350 50 0 FGAARM CC(C[C@H]1[C@H](C(=O)[O-])C1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252627505 497314239 /nfs/dbraw/zinc/31/42/39/497314239.db2.gz RVRCSROUSCVZJW-GXFFZTMASA-N -1 0 350.331 3.038 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cc2c(F)cccc2F)CC1 ZINC000238004095 497325842 /nfs/dbraw/zinc/32/58/42/497325842.db2.gz GWMDBYZQNXWHRS-UHFFFAOYSA-N -1 0 359.372 3.152 50 0 FGAARM COc1cc(C=NNc2cccc(C(=O)[O-])c2)cc(Br)c1O ZINC000254483404 497348791 /nfs/dbraw/zinc/34/87/91/497348791.db2.gz BRUKVMZDVXSQLA-UHFFFAOYSA-N -1 0 365.183 3.308 50 0 FGAARM Cc1nnc(NN=Cc2c3ccccc3n(C)c2-c2ccccc2)[n-]c1=O ZINC000254758853 497350632 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XATPVJUWPZYNEY-AWEZNQCLSA-N -1 0 374.462 3.020 50 0 FGAARM CC[C@@H]1C=CCN1C(=O)c1cccc(-c2nc(C(=O)[O-])ccc2OC)c1 ZINC000584892238 507558399 /nfs/dbraw/zinc/55/83/99/507558399.db2.gz ZKCLMCDBAJIYNN-OAHLLOKOSA-N -1 0 352.390 3.246 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000237320041 522432875 /nfs/dbraw/zinc/43/28/75/522432875.db2.gz RZJIQTTYWJZJPJ-KBPBESRZSA-N -1 0 361.344 3.092 50 0 FGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cc1coc(-c2cccs2)n1 ZINC000268953229 526290452 /nfs/dbraw/zinc/29/04/52/526290452.db2.gz VIDRWKNVXKJUNA-YUTCNCBUSA-N -1 0 360.435 3.190 50 0 FGAARM O=C(NC1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1)C1CCC1 ZINC000081328368 570897810 /nfs/dbraw/zinc/89/78/10/570897810.db2.gz ZNAFBAVRDMIFNU-UHFFFAOYSA-N -1 0 359.451 3.011 50 0 FGAARM Cc1cnn(-c2ccc(C(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cc2)c1 ZINC000170044997 571261009 /nfs/dbraw/zinc/26/10/09/571261009.db2.gz AVRBHKBIJPDWSM-HNAYVOBHSA-N -1 0 363.417 3.373 50 0 FGAARM CC(C)C[C@H](NC(=O)Cc1nc(-c2ccc(F)cc2)cs1)C(=O)[O-] ZINC000263476817 713747123 /nfs/dbraw/zinc/74/71/23/713747123.db2.gz ZKIRCJJKXGGROK-ZDUSSCGKSA-N -1 0 350.415 3.107 50 0 FGAARM C[C@@H](C(=O)[O-])C(=O)N1CCC[C@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000663133574 720479498 /nfs/dbraw/zinc/47/94/98/720479498.db2.gz SPZVNMBFEOQSHS-BDJLRTHQSA-N -1 0 359.344 3.230 50 0 FGAARM CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000001072095 219364588 /nfs/dbraw/zinc/36/45/88/219364588.db2.gz IGJMLVNQBGCWEB-UHFFFAOYSA-N -1 0 363.435 3.248 50 0 FGAARM CCOC(=O)c1c(C2CC2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000013249664 209579006 /nfs/dbraw/zinc/57/90/06/209579006.db2.gz PGKHCZWYPJRURR-VXGBXAGGSA-N -1 0 363.435 3.408 50 0 FGAARM COc1ccc(COC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])cc1 ZINC000005033518 209435566 /nfs/dbraw/zinc/43/55/66/209435566.db2.gz JKDUSQBFRLNELB-UHFFFAOYSA-N -1 0 361.350 3.159 50 0 FGAARM O=C(CCCCn1c(=S)[n-]c2ccsc2c1=O)NCc1ccco1 ZINC000002925463 209399364 /nfs/dbraw/zinc/39/93/64/209399364.db2.gz OGOWGIAZWZGNMT-UHFFFAOYSA-N -1 0 363.464 3.200 50 0 FGAARM O=C1[N-]N(c2ccc(F)cc2)C(=O)/C1=C/c1cccc(Br)c1 ZINC000001023044 209385768 /nfs/dbraw/zinc/38/57/68/209385768.db2.gz RTEKNBYTRIEQPO-NTEUORMPSA-N -1 0 361.170 3.050 50 0 FGAARM COc1ccc(C[C@@H](C(=O)Nc2ccc(OC)cc2)[C@@H](C)C(=O)[O-])cc1 ZINC000000969775 209384005 /nfs/dbraw/zinc/38/40/05/209384005.db2.gz BFAKWPFRLDCFOG-FZKQIMNGSA-N -1 0 357.406 3.222 50 0 FGAARM O=C(NCc1ccco1)c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000000631486 209373209 /nfs/dbraw/zinc/37/32/09/209373209.db2.gz KJKRKHFQARXSKB-UHFFFAOYSA-N -1 0 374.393 3.150 50 0 FGAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000238104023 209360942 /nfs/dbraw/zinc/36/09/42/209360942.db2.gz IDCRUDUTHHNSCK-UONOGXRCSA-N -1 0 372.248 3.189 50 0 FGAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCCCN2Cc2ccc(F)cc2)cc1 ZINC000238120668 209359240 /nfs/dbraw/zinc/35/92/40/209359240.db2.gz UUEBSOMGCNOLBO-LJQANCHMSA-N -1 0 370.424 3.195 50 0 FGAARM O=C([O-])c1ccc(C(=O)N2CCO[C@H](c3ccc(F)c(Cl)c3)C2)s1 ZINC000237998649 209358159 /nfs/dbraw/zinc/35/81/59/209358159.db2.gz ZRAHYYGBJQIFQL-LBPRGKRZSA-N -1 0 369.801 3.453 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cc2cc(F)ccc2F)CC1 ZINC000238004170 209357944 /nfs/dbraw/zinc/35/79/44/209357944.db2.gz XYQVKKVTFVKQIF-UHFFFAOYSA-N -1 0 359.372 3.152 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2cccc(Br)c2)C1 ZINC000238001634 209357984 /nfs/dbraw/zinc/35/79/84/209357984.db2.gz HGVBSIMVSLISCA-CQSZACIVSA-N -1 0 368.271 3.485 50 0 FGAARM O=C([O-])C1(NC(=O)c2[nH]c3ccccc3c2Br)CCCC1 ZINC000237965105 209356464 /nfs/dbraw/zinc/35/64/64/209356464.db2.gz YHRFDGDOTFHMGH-UHFFFAOYSA-N -1 0 351.200 3.058 50 0 FGAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)sc1-c1ccc(F)cc1 ZINC000237700861 209352761 /nfs/dbraw/zinc/35/27/61/209352761.db2.gz ZHOUQBJOPCRKSV-AWEZNQCLSA-N -1 0 363.410 3.178 50 0 FGAARM CC(C)COc1ccc(S(=O)(=O)Nc2cccc(F)c2C(=O)[O-])cc1 ZINC000048343304 209330122 /nfs/dbraw/zinc/33/01/22/209330122.db2.gz IMKJMNUTWJIQTF-UHFFFAOYSA-N -1 0 367.398 3.360 50 0 FGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)cc4)c=3c2=O)c1 ZINC000102820773 209242850 /nfs/dbraw/zinc/24/28/50/209242850.db2.gz KCHCIYRYTLKFQL-GJZGRUSLSA-N -1 0 356.382 3.045 50 0 FGAARM CC(C)[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1 ZINC000101792710 209230773 /nfs/dbraw/zinc/23/07/73/209230773.db2.gz UVSYZFUNMKFVHI-QGZVFWFLSA-N -1 0 367.474 3.349 50 0 FGAARM O=C([O-])c1cn(CCc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 ZINC000101713783 209229085 /nfs/dbraw/zinc/22/90/85/209229085.db2.gz HJVRYROHKGANSD-UHFFFAOYSA-N -1 0 359.385 3.080 50 0 FGAARM O=C1[C@H]2ON=C(c3ccc(F)cc3)C2=C(O)N1c1ccc2ccccc2c1 ZINC000101344609 209223682 /nfs/dbraw/zinc/22/36/82/209223682.db2.gz ITLOJPANMTXKIV-HKUYNNGSSA-N -1 0 360.344 3.271 50 0 FGAARM COC(C)=C1N[C@@H](C(=O)[O-])c2ccccc2C(OC)C1=Nc1ccncc1 ZINC000101025559 209220746 /nfs/dbraw/zinc/22/07/46/209220746.db2.gz VZECUMIRVOUNTH-TXQCQQFXSA-N -1 0 367.405 3.116 50 0 FGAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CC(C)C)s2)c1=O ZINC000100512687 209214474 /nfs/dbraw/zinc/21/44/74/209214474.db2.gz QDLNHYJUNKFBDS-UHFFFAOYSA-N -1 0 372.450 3.029 50 0 FGAARM O=C([O-])c1cnn(-c2ncc3c(n2)-c2ccccc2CC3)c1-c1ccco1 ZINC000299767205 206638624 /nfs/dbraw/zinc/63/86/24/206638624.db2.gz PFHIVNSLUSKMGB-UHFFFAOYSA-N -1 0 358.357 3.386 50 0 FGAARM O=C([O-])c1[nH]c2ccc(Cl)cc2c1CCN1C(=O)c2ccccc2C1=O ZINC000001507907 206887376 /nfs/dbraw/zinc/88/73/76/206887376.db2.gz NZNBAVDKVCPHSF-UHFFFAOYSA-N -1 0 368.776 3.358 50 0 FGAARM O=C([O-])c1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1 ZINC000002456010 206916882 /nfs/dbraw/zinc/91/68/82/206916882.db2.gz LNLKNMPKSDDOQG-UHFFFAOYSA-N -1 0 359.447 3.028 50 0 FGAARM CCO[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000002583261 206922730 /nfs/dbraw/zinc/92/27/30/206922730.db2.gz CUBBXMGQJYSGLW-DJJJIMSYSA-N -1 0 369.417 3.403 50 0 FGAARM Cn1c(Cn2c3ccccc3c3ccccc32)nnc1SCC(=O)[O-] ZINC000004336333 207015367 /nfs/dbraw/zinc/01/53/67/207015367.db2.gz KUFXNKLPSKCWCL-UHFFFAOYSA-N -1 0 352.419 3.148 50 0 FGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2OC)cc1 ZINC000004660789 207035204 /nfs/dbraw/zinc/03/52/04/207035204.db2.gz CKXOFGWCGLCQNW-UHFFFAOYSA-N -1 0 369.826 3.326 50 0 FGAARM CC[C@H](CN1N=C(c2ccc(Cl)cc2)CCC1=O)C(=O)CCC(=O)[O-] ZINC000004776772 207048151 /nfs/dbraw/zinc/04/81/51/207048151.db2.gz PCOFTXHXJFZHEC-GFCCVEGCSA-N -1 0 364.829 3.127 50 0 FGAARM COc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000004978151 207067821 /nfs/dbraw/zinc/06/78/21/207067821.db2.gz MEIHTVKEILGZHI-UHFFFAOYSA-N -1 0 350.168 3.408 50 0 FGAARM O=C(NC1CCCC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004998637 207070937 /nfs/dbraw/zinc/07/09/37/207070937.db2.gz HJDKEHMQXVLQQM-UHFFFAOYSA-N -1 0 350.465 3.221 50 0 FGAARM Cn1ncc2c1ncc(C(=O)[O-])c2NCc1cccc(C(F)(F)F)c1 ZINC000005753588 207114391 /nfs/dbraw/zinc/11/43/91/207114391.db2.gz VFQSFCDEECNZAR-UHFFFAOYSA-N -1 0 350.300 3.297 50 0 FGAARM O=C([O-])c1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)c1 ZINC000006900568 207176056 /nfs/dbraw/zinc/17/60/56/207176056.db2.gz QPGZATSTMQNLET-UHFFFAOYSA-N -1 0 363.369 3.336 50 0 FGAARM Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000007986225 207214441 /nfs/dbraw/zinc/21/44/41/207214441.db2.gz OEPJCBNNDVVSLM-AWEZNQCLSA-N -1 0 371.817 3.282 50 0 FGAARM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c2ccccc12 ZINC000008714933 207244097 /nfs/dbraw/zinc/24/40/97/207244097.db2.gz QEINEUOYXSUHPK-UHFFFAOYSA-N -1 0 357.387 3.347 50 0 FGAARM O=c1/c(=C/c2cc(Cl)c([O-])c(Cl)c2)sc2nc3ccccc3n12 ZINC000009354161 207268629 /nfs/dbraw/zinc/26/86/29/207268629.db2.gz QYAIRBTYOOMBQU-QPEQYQDCSA-N -1 0 363.225 3.469 50 0 FGAARM COc1cc(C(=O)[O-])ccc1Oc1cnn(-c2ccccc2)c(=O)c1Cl ZINC000012394253 207369843 /nfs/dbraw/zinc/36/98/43/207369843.db2.gz HZZJXMRJBNBPKI-UHFFFAOYSA-N -1 0 372.764 3.385 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000020730817 207753309 /nfs/dbraw/zinc/75/33/09/207753309.db2.gz YTKSGDMOXLJQML-GFCCVEGCSA-N -1 0 364.854 3.329 50 0 FGAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000030521475 208002693 /nfs/dbraw/zinc/00/26/93/208002693.db2.gz DVAVBGXWOXBSST-ZWKOTPCHSA-N -1 0 352.390 3.266 50 0 FGAARM O=c1c2ccccc2[n-]c(=S)n1C[C@H](c1ccccc1)N1CCOCC1 ZINC000032778559 208043168 /nfs/dbraw/zinc/04/31/68/208043168.db2.gz NNEQKHDEKWLKEV-GOSISDBHSA-N -1 0 367.474 3.133 50 0 FGAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1C(=O)[O-] ZINC000033253638 208078510 /nfs/dbraw/zinc/07/85/10/208078510.db2.gz UVHZBDLXAQDALR-UHFFFAOYSA-N -1 0 362.451 3.340 50 0 FGAARM Cc1nc2[n-]c(C3CC3)nn2c(=O)c1NC(=O)Nc1ccc(Cl)cc1 ZINC000033274117 208081053 /nfs/dbraw/zinc/08/10/53/208081053.db2.gz QOECFDICNVZMLF-UHFFFAOYSA-N -1 0 358.789 3.313 50 0 FGAARM COc1cccc(C[C@@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)c1 ZINC000034367396 208106024 /nfs/dbraw/zinc/10/60/24/208106024.db2.gz LGLFDNXWUJGUDK-GOSISDBHSA-N -1 0 373.416 3.327 50 0 FGAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)cc1 ZINC000034763549 208108843 /nfs/dbraw/zinc/10/88/43/208108843.db2.gz HXRWXRQMIVMHKC-CQSZACIVSA-N -1 0 372.469 3.126 50 0 FGAARM CCn1nccc1-c1cc(C(=O)[O-])n2nc(-c3ccc(F)cc3)cc2n1 ZINC000036615657 208165712 /nfs/dbraw/zinc/16/57/12/208165712.db2.gz DKAYDEKHFCYRGT-UHFFFAOYSA-N -1 0 351.341 3.117 50 0 FGAARM COc1ccc(CC(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)cc1Cl ZINC000040155212 208238441 /nfs/dbraw/zinc/23/84/41/208238441.db2.gz VBTBOJUDEIFJQR-UHFFFAOYSA-N -1 0 369.826 3.085 50 0 FGAARM CSCC[C@H](NC(=O)CCn1ccc2c1cccc2Cl)C(=O)[O-] ZINC000040309096 208247916 /nfs/dbraw/zinc/24/79/16/208247916.db2.gz KRBCCTRBZKJMBP-ZDUSSCGKSA-N -1 0 354.859 3.007 50 0 FGAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1ccc(I)cc1 ZINC000043879140 208308998 /nfs/dbraw/zinc/30/89/98/208308998.db2.gz ANYKLUBXPQFSPL-CMPLNLGQSA-N -1 0 358.175 3.365 50 0 FGAARM CCc1nc2sc3c(c2c(N[C@H](CCSC)C(=O)[O-])n1)CCC3 ZINC000041090241 208280665 /nfs/dbraw/zinc/28/06/65/208280665.db2.gz 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O=C([O-])c1ccc(N2CCOCC2)c(NC(=O)c2cccc(Cl)c2)c1 ZINC000064820753 136133927 /nfs/dbraw/zinc/13/39/27/136133927.db2.gz CJRKFJDFQHAFTB-UHFFFAOYSA-N -1 0 360.797 3.127 50 0 FGAARM O=C(C[C@@]1(O)C(=O)Nc2ccccc21)c1cc(Cl)cc(Cl)c1[O-] ZINC000000644150 493766582 /nfs/dbraw/zinc/76/65/82/493766582.db2.gz WFJVUYOCUMTRIH-INIZCTEOSA-N -1 0 352.173 3.112 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000000795393 493772640 /nfs/dbraw/zinc/77/26/40/493772640.db2.gz XXJKEWQAIDGOPK-UHFFFAOYSA-N -1 0 350.465 3.407 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCCC3)cc2)no1 ZINC000000939854 493778974 /nfs/dbraw/zinc/77/89/74/493778974.db2.gz GLDAYRZXRFZUGD-UHFFFAOYSA-N -1 0 363.439 3.303 50 0 FGAARM Cc1ccc(N(CC(=O)[O-])[C@H]2SC(=O)N(c3ccccc3)C2=O)cc1 ZINC000000969657 493780449 /nfs/dbraw/zinc/78/04/49/493780449.db2.gz ZBKSCZALLJOHEH-KRWDZBQOSA-N -1 0 356.403 3.112 50 0 FGAARM CC(=O)c1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000001101337 493785138 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CCOc1cccc2cc(C(=O)Nc3ccc(C(=O)[O-])cc3)c(=O)oc21 ZINC000002951548 493826544 /nfs/dbraw/zinc/82/65/44/493826544.db2.gz YKBLGCGOFOEWFT-UHFFFAOYSA-N -1 0 353.330 3.142 50 0 FGAARM COc1ccc(Cl)cc1NC(=O)COc1ccc(C(=O)[O-])cc1OC ZINC000003246565 493834244 /nfs/dbraw/zinc/83/42/44/493834244.db2.gz KMARVDAKOCNOIJ-UHFFFAOYSA-N -1 0 365.769 3.073 50 0 FGAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCC1)c1ccc(F)cc1 ZINC000003416813 493843853 /nfs/dbraw/zinc/84/38/53/493843853.db2.gz QDXSJRNWLFKETP-UHFFFAOYSA-N -1 0 372.425 3.170 50 0 FGAARM Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])c(C)c2)cc1Cl ZINC000058377173 493847950 /nfs/dbraw/zinc/84/79/50/493847950.db2.gz DVEQCKVRKDRLFA-UHFFFAOYSA-N -1 0 369.826 3.221 50 0 FGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccc(F)c(Cl)c3)c1)CCC2 ZINC000058381851 493848048 /nfs/dbraw/zinc/84/80/48/493848048.db2.gz RTQBJUHFGXJOIN-UHFFFAOYSA-N -1 0 369.801 3.467 50 0 FGAARM C[C@@H]1CCC[C@@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)[C@@H]1C ZINC000003912041 493860020 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C[C@@]1(Cc2ccc3c(c2)OCO3)CCCN(c2cccc(C(=O)[O-])n2)C1 ZINC000095371029 132208648 /nfs/dbraw/zinc/20/86/48/132208648.db2.gz OFGWQXUZMXFJDL-FQEVSTJZSA-N -1 0 354.406 3.358 50 0 FGAARM COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1cccc(C(=O)[O-])c1 ZINC000004313299 132386903 /nfs/dbraw/zinc/38/69/03/132386903.db2.gz STBLEOLSCHOOSL-AUUYWEPGSA-N -1 0 354.362 3.163 50 0 FGAARM C[C@@H]1CN(c2ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc2F)C[C@H](C)O1 ZINC000055149728 136126041 /nfs/dbraw/zinc/12/60/41/136126041.db2.gz QAEFWHYTMBXTSQ-BETUJISGSA-N -1 0 366.433 3.269 50 0 FGAARM COc1cc(C(=O)Nc2sc(C)c(C)c2C(=O)[O-])cc(OC)c1OC ZINC000000798286 493773721 /nfs/dbraw/zinc/77/37/21/493773721.db2.gz YJMVUQKBCPNPLR-UHFFFAOYSA-N -1 0 365.407 3.341 50 0 FGAARM CS(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2[O-])c(Cl)c1 ZINC000000828683 493776484 /nfs/dbraw/zinc/77/64/84/493776484.db2.gz HXVBCYWCQBEFGZ-UHFFFAOYSA-N -1 0 360.218 3.355 50 0 FGAARM CCCCNS(=O)(=O)c1ccc(Cl)cc1I ZINC000002144144 493802653 /nfs/dbraw/zinc/80/26/53/493802653.db2.gz ZVJBZPCJMQWFOD-UHFFFAOYSA-N -1 0 373.643 3.023 50 0 FGAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(=O)OC(C)(C)C)cc1)C(=O)[O-] ZINC000002392267 493807089 /nfs/dbraw/zinc/80/70/89/493807089.db2.gz JQJBYNUASUPTSZ-AWEZNQCLSA-N -1 0 365.426 3.162 50 0 FGAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000002517123 493811247 /nfs/dbraw/zinc/81/12/47/493811247.db2.gz HIQJNYPOWPXYIC-KRWDZBQOSA-N -1 0 369.417 3.438 50 0 FGAARM CCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1ccc(NC(=O)[C@H](C)CCC)cc1 ZINC000002728251 493817248 /nfs/dbraw/zinc/81/72/48/493817248.db2.gz QKRUAMFBSTVHDA-ZIAGYGMSSA-N -1 0 368.499 3.302 50 0 FGAARM CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)[C@@H](C)CCC)cc1 ZINC000002728249 493817403 /nfs/dbraw/zinc/81/74/03/493817403.db2.gz QKRUAMFBSTVHDA-KGLIPLIRSA-N -1 0 368.499 3.302 50 0 FGAARM C/C(=C\C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2)C(=O)[O-] ZINC000002777441 493819214 /nfs/dbraw/zinc/81/92/14/493819214.db2.gz MMLYYDPDUDROKV-NGPGYTDTSA-N -1 0 365.451 3.408 50 0 FGAARM Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)ccc2oc1C(=O)[O-] ZINC000002944840 493826541 /nfs/dbraw/zinc/82/65/41/493826541.db2.gz NYSYYVATXNVNCP-PHIMTYICSA-N -1 0 351.424 3.106 50 0 FGAARM CC(C)Cn1c(=O)cc([O-])nc1SCc1nnc(-c2cccs2)o1 ZINC000003378830 493841820 /nfs/dbraw/zinc/84/18/20/493841820.db2.gz VSDBDWZMLQNBMY-UHFFFAOYSA-N -1 0 364.452 3.009 50 0 FGAARM Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2F)ccc1OCC(=O)[O-] ZINC000058368519 493846989 /nfs/dbraw/zinc/84/69/89/493846989.db2.gz IRVGMWBKODIYAG-UHFFFAOYSA-N -1 0 373.789 3.052 50 0 FGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000003624753 493856911 /nfs/dbraw/zinc/85/69/11/493856911.db2.gz BVSADQLQFFOEFP-KSSFIOAISA-N -1 0 357.406 3.185 50 0 FGAARM COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccc1F ZINC000005396100 493928928 /nfs/dbraw/zinc/92/89/28/493928928.db2.gz GRJJJKPMQQOBLI-WMLDXEAASA-N -1 0 363.410 3.202 50 0 FGAARM COC(=O)N1CCCc2cc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])ccc21 ZINC000006668302 493974109 /nfs/dbraw/zinc/97/41/09/493974109.db2.gz LDUQCNRRTCPEGM-CABCVRRESA-N -1 0 360.410 3.035 50 0 FGAARM Cc1ccc(S(=O)(=O)N2CCCc3c(F)cc(F)cc32)cc1C(=O)[O-] ZINC000032598039 493999476 /nfs/dbraw/zinc/99/94/76/493999476.db2.gz VISONNPXRJKTOM-UHFFFAOYSA-N -1 0 367.373 3.113 50 0 FGAARM C[C@@H]1CCCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccccc2)C1 ZINC000032971127 494033461 /nfs/dbraw/zinc/03/34/61/494033461.db2.gz GIYRGOPTOVBIFH-CQSZACIVSA-N -1 0 374.462 3.422 50 0 FGAARM CC(C)(C)n1c2ccccc2[nH]c1=NC(=O)c1c[n-]c2ccccc2c1=O ZINC000070852938 494061205 /nfs/dbraw/zinc/06/12/05/494061205.db2.gz VIFRJUPJTBQMAL-UHFFFAOYSA-N -1 0 360.417 3.307 50 0 FGAARM COc1ccccc1Oc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cn1 ZINC000071285132 494090829 /nfs/dbraw/zinc/09/08/29/494090829.db2.gz DWXOPDILTLWYJF-HZPDHXFCSA-N -1 0 356.378 3.178 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2nnc(CC3CCCCC3)s2)cc1 ZINC000071770933 494100406 /nfs/dbraw/zinc/10/04/06/494100406.db2.gz SRFVWOQPULBLAM-UHFFFAOYSA-N -1 0 367.496 3.470 50 0 FGAARM Cc1cccc(-c2noc(-c3cccnc3N3CCC(C(=O)[O-])CC3)n2)c1 ZINC000040478863 494144251 /nfs/dbraw/zinc/14/42/51/494144251.db2.gz NLWKWHXYSBUVEE-UHFFFAOYSA-N -1 0 364.405 3.408 50 0 FGAARM CCn1nccc1-c1csc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000065112464 494173713 /nfs/dbraw/zinc/17/37/13/494173713.db2.gz AGZIDNRRCYVDNF-UHFFFAOYSA-N -1 0 363.464 3.441 50 0 FGAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccccc2C(C)C)s1 ZINC000065183568 494177940 /nfs/dbraw/zinc/17/79/40/494177940.db2.gz CHJBMVCVWYBDNR-UHFFFAOYSA-N -1 0 350.469 3.332 50 0 FGAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000065183842 494177953 /nfs/dbraw/zinc/17/79/53/494177953.db2.gz PUTORJAUUUBULF-UHFFFAOYSA-N -1 0 354.432 3.163 50 0 FGAARM O=C([O-])c1ccccc1SCC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000012895833 494268456 /nfs/dbraw/zinc/26/84/56/494268456.db2.gz PEQMWWUVWWYFNF-UHFFFAOYSA-N -1 0 370.430 3.242 50 0 FGAARM Cc1cc(C)c(NC(=O)CN(C)Cc2nc(=O)c3sccc3[n-]2)c(C)c1 ZINC000012984335 494273714 /nfs/dbraw/zinc/27/37/14/494273714.db2.gz ROHNOIVTRGXGOE-UHFFFAOYSA-N -1 0 370.478 3.393 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)CCc2ccccc2F)CC1 ZINC000013186825 494281182 /nfs/dbraw/zinc/28/11/82/494281182.db2.gz MEDVPXDTVUDRHG-UHFFFAOYSA-N -1 0 355.409 3.403 50 0 FGAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C2CCCCC2)cc1 ZINC000013267743 494283500 /nfs/dbraw/zinc/28/35/00/494283500.db2.gz NFZIVMSFSUECSS-KRWDZBQOSA-N -1 0 351.468 3.362 50 0 FGAARM COc1ccc(CC(=O)NCc2n[n-]c(=S)n2-c2cccc(C)c2)cc1 ZINC000013524420 494288490 /nfs/dbraw/zinc/28/84/90/494288490.db2.gz FLUAITHJTLRXQS-UHFFFAOYSA-N -1 0 368.462 3.106 50 0 FGAARM O=C([O-])[C@@H]1CS[C@@H](c2cc(Br)c(Br)s2)N1 ZINC000013961490 494299057 /nfs/dbraw/zinc/29/90/57/494299057.db2.gz DYFPUYNDJFURLV-FFWSUHOLSA-N -1 0 373.091 3.061 50 0 FGAARM Cc1ccc(C(=O)Nc2ccc3nc([N-]S(C)(=O)=O)sc3c2)cc1 ZINC000015861963 494370622 /nfs/dbraw/zinc/37/06/22/494370622.db2.gz OIRQYKCPOUOMQI-UHFFFAOYSA-N -1 0 361.448 3.229 50 0 FGAARM COc1cc([N-]S(=O)(=O)c2cc(C)sc2C)ccc1NC(C)=O ZINC000055616106 494372980 /nfs/dbraw/zinc/37/29/80/494372980.db2.gz ZWMIYMZZLSCHHF-UHFFFAOYSA-N -1 0 354.453 3.133 50 0 FGAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000016153542 494380442 /nfs/dbraw/zinc/38/04/42/494380442.db2.gz VPKUOHZHJYKODK-UHFFFAOYSA-N -1 0 356.403 3.010 50 0 FGAARM CCOC(=O)c1ccsc1NC(=O)[C@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000017072891 494406589 /nfs/dbraw/zinc/40/65/89/494406589.db2.gz NZYAJRDVCUSWES-QWHCGFSZSA-N -1 0 351.424 3.311 50 0 FGAARM COc1ccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)cc1OC ZINC000020719319 494479403 /nfs/dbraw/zinc/47/94/03/494479403.db2.gz OZIZUUAVXBLBSI-UHFFFAOYSA-N -1 0 367.336 3.401 50 0 FGAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(F)c3)c2)no1 ZINC000021702038 494502762 /nfs/dbraw/zinc/50/27/62/494502762.db2.gz CPMUGONCDMLDJD-UHFFFAOYSA-N -1 0 353.400 3.300 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1F ZINC000023125722 494550068 /nfs/dbraw/zinc/55/00/68/494550068.db2.gz JNNPQJTYHCTLGC-LSDHHAIUSA-N -1 0 358.760 3.285 50 0 FGAARM CC(C)COC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000067988141 494719830 /nfs/dbraw/zinc/71/98/30/494719830.db2.gz GYDWMTGSXJTPFB-HZPDHXFCSA-N -1 0 360.410 3.497 50 0 FGAARM Cc1nn(C)cc1[C@H]1CC(c2c([O-])cc(C)oc2=O)=Nc2ccccc2N1 ZINC000096118991 495002997 /nfs/dbraw/zinc/00/29/97/495002997.db2.gz FESVIKOOWFTNQF-MRXNPFEDSA-N -1 0 364.405 3.373 50 0 FGAARM Cc1cc(=O)oc2c1ccc1c2[C@H](c2ccc(C(=O)[O-])cc2)CC(=O)O1 ZINC000096221878 495007498 /nfs/dbraw/zinc/00/74/98/495007498.db2.gz GZVVAWQPFHXTFB-AWEZNQCLSA-N -1 0 350.326 3.241 50 0 FGAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2F)cc1 ZINC000096747866 495014533 /nfs/dbraw/zinc/01/45/33/495014533.db2.gz VDNHUGKOFHBONL-BAQGIRSFSA-N -1 0 355.774 3.378 50 0 FGAARM COc1ccc(NS(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)cc1Cl ZINC000096747902 495014600 /nfs/dbraw/zinc/01/46/00/495014600.db2.gz NKXNVXSICXEUIJ-WTKPLQERSA-N -1 0 367.810 3.247 50 0 FGAARM Cc1ccc(C2=N/C(=C/c3ccc(OCC(=O)[O-])cc3)C(=O)O2)cc1C ZINC000097987573 495046517 /nfs/dbraw/zinc/04/65/17/495046517.db2.gz SUHKXDLJKYKMMN-LICLKQGHSA-N -1 0 351.358 3.111 50 0 FGAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccc2C)c1=O ZINC000100537022 495065360 /nfs/dbraw/zinc/06/53/60/495065360.db2.gz GXMOEXRSNMCIOC-UHFFFAOYSA-N -1 0 351.406 3.463 50 0 FGAARM Cc1cc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1Br ZINC000128557433 495116417 /nfs/dbraw/zinc/11/64/17/495116417.db2.gz ZDZLIWYQEGJJQB-CYBMUJFWSA-N -1 0 354.244 3.013 50 0 FGAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1cc(C(C)C)[nH]n1 ZINC000128902383 495166257 /nfs/dbraw/zinc/16/62/57/495166257.db2.gz IMTVLPWBUIOJSN-UHFFFAOYSA-N -1 0 358.261 3.405 50 0 FGAARM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CC[C@@H](c2ccccc2)C1 ZINC000104872955 495312344 /nfs/dbraw/zinc/31/23/44/495312344.db2.gz INKGYUJHNLOIGD-OAHLLOKOSA-N -1 0 351.381 3.347 50 0 FGAARM Cc1nc(C=Cc2csc(-c3ccsc3)n2)[nH]c(=O)c1CC(=O)[O-] ZINC000170618831 495536190 /nfs/dbraw/zinc/53/61/90/495536190.db2.gz CVNAMTAFBGMRBP-NSCUHMNNSA-N -1 0 359.432 3.061 50 0 FGAARM Cc1ccc(OCC(=O)NC[C@@H](Cc2ccccc2C)C(=O)[O-])c(C)c1 ZINC000170672564 495556057 /nfs/dbraw/zinc/55/60/57/495556057.db2.gz FTRRVEXGWBZOAN-GOSISDBHSA-N -1 0 355.434 3.050 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)(F)F)C1 ZINC000268949408 496832012 /nfs/dbraw/zinc/83/20/12/496832012.db2.gz RIGMFZLILUMYEF-RTXFEEFZSA-N -1 0 357.328 3.012 50 0 FGAARM O=C([O-])C1(NC(=O)Nc2cccc(Cn3cccn3)c2)CCCCCC1 ZINC000225487997 497064680 /nfs/dbraw/zinc/06/46/80/497064680.db2.gz JBQBTOQKXXKHSR-UHFFFAOYSA-N -1 0 356.426 3.231 50 0 FGAARM COc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)CCCC(=O)[O-])c1 ZINC000225516263 497066574 /nfs/dbraw/zinc/06/65/74/497066574.db2.gz DGITXMDNHBHSSW-MRXNPFEDSA-N -1 0 356.378 3.221 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000270528515 497145045 /nfs/dbraw/zinc/14/50/45/497145045.db2.gz UFPRRBVOFXIKQK-CQSZACIVSA-N -1 0 369.446 3.173 50 0 FGAARM C[C@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237415193 497232888 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368.384 3.489 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000238002593 497326433 /nfs/dbraw/zinc/32/64/33/497326433.db2.gz GIUDBMHBEVXQQX-GFCCVEGCSA-N -1 0 359.344 3.188 50 0 FGAARM Cc1cc([C@H]2CCCCN2CCC(=O)Nc2ccsc2C(=O)[O-])no1 ZINC000244858499 497371456 /nfs/dbraw/zinc/37/14/56/497371456.db2.gz VMHNXQXQFKVSKT-CQSZACIVSA-N -1 0 363.439 3.299 50 0 FGAARM O=C([O-])CC1(NC(=O)N2CCC(Cc3cccnc3)CC2)CCCCC1 ZINC000426484401 500278336 /nfs/dbraw/zinc/27/83/36/500278336.db2.gz FLKIPKVXULSPIS-UHFFFAOYSA-N -1 0 359.470 3.223 50 0 FGAARM CCC[C@H](CC(=O)[O-])NC(=O)N(C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000426615119 500294998 /nfs/dbraw/zinc/29/49/98/500294998.db2.gz JXMNIVMRLQONNI-OAHLLOKOSA-N -1 0 362.405 3.001 50 0 FGAARM CCCOc1c(Cl)cc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000269178738 520294784 /nfs/dbraw/zinc/29/47/84/520294784.db2.gz KLSAUZJHNMZBRJ-LLVKDONJSA-N -1 0 355.818 3.074 50 0 FGAARM Cc1ccn2c(c1)nnc2[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000088334313 525613667 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207001738 /nfs/dbraw/zinc/00/17/38/207001738.db2.gz VSSHUYCVSGSFPZ-RYQLBKOJSA-N -1 0 367.467 3.146 50 0 FGAARM CNS(=O)(=O)c1cc(Cl)ccc1Sc1ccccc1C(=O)[O-] ZINC000004343465 207015747 /nfs/dbraw/zinc/01/57/47/207015747.db2.gz KYJXWTUGFAHVIS-UHFFFAOYSA-N -1 0 357.840 3.098 50 0 FGAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(OC)c1 ZINC000004745739 207044671 /nfs/dbraw/zinc/04/46/71/207044671.db2.gz DPXRDNLVEVPZDP-OAHLLOKOSA-N -1 0 363.797 3.303 50 0 FGAARM CCOC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000004809517 207049969 /nfs/dbraw/zinc/04/99/69/207049969.db2.gz QYRVDTCKLTWINE-UHFFFAOYSA-N -1 0 350.396 3.064 50 0 FGAARM COc1ccc(Cc2nnc(Nc3ccc(F)c(Cl)c3)[n-]c2=O)cc1 ZINC000005154489 207084858 /nfs/dbraw/zinc/08/48/58/207084858.db2.gz MJRRUZNRLVIYQH-UHFFFAOYSA-N -1 0 360.776 3.300 50 0 FGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1cccc2c1-c1ccccc1C2=O ZINC000005307758 207092453 /nfs/dbraw/zinc/09/24/53/207092453.db2.gz CIAIDQZONHTBIP-IBGZPJMESA-N -1 0 371.392 3.324 50 0 FGAARM 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/nfs/dbraw/zinc/00/49/36/209004936.db2.gz IURCGZFHBRUFED-GOSISDBHSA-N -1 0 353.365 3.081 50 0 FGAARM O=C([O-])c1cccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3)cc2)n1 ZINC000095969709 209091445 /nfs/dbraw/zinc/09/14/45/209091445.db2.gz HGFVXJURVMLEON-UHFFFAOYSA-N -1 0 361.357 3.284 50 0 FGAARM CC1(C)Cc2cc(CN3CCCn4nc(CCC(=O)[O-])cc4C3)ccc2O1 ZINC000095374761 209037161 /nfs/dbraw/zinc/03/71/61/209037161.db2.gz VVAISZGALJSVBP-UHFFFAOYSA-N -1 0 369.465 3.020 50 0 FGAARM Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)s1 ZINC000095377845 209039085 /nfs/dbraw/zinc/03/90/85/209039085.db2.gz ASTSMUJTOGDICB-MRXNPFEDSA-N -1 0 358.463 3.407 50 0 FGAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)c1cccc(-c2ccc(F)cc2)c1 ZINC000095378674 209039263 /nfs/dbraw/zinc/03/92/63/209039263.db2.gz OMMOQDCOHIJWCP-GOSISDBHSA-N -1 0 365.364 3.040 50 0 FGAARM COCCOc1cc(C)ccc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000095424305 209049811 /nfs/dbraw/zinc/04/98/11/209049811.db2.gz NCVMJGSCOBRNPW-UHFFFAOYSA-N -1 0 357.406 3.290 50 0 FGAARM O=S(=O)([N-]c1cc(-c2ccoc2)no1)c1ccccc1Br ZINC000065153458 221173857 /nfs/dbraw/zinc/17/38/57/221173857.db2.gz OHLJNFLPVMYAOZ-UHFFFAOYSA-N -1 0 369.196 3.498 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CN1CCOc2ccc(Cl)cc21 ZINC000128680055 132250783 /nfs/dbraw/zinc/25/07/83/132250783.db2.gz ALEHMNISBZTYQZ-UHFFFAOYSA-N -1 0 360.797 3.184 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2)c2ccccc2O1 ZINC000013434706 132306766 /nfs/dbraw/zinc/30/67/66/132306766.db2.gz JOIPOUZXHGCGMS-AWEZNQCLSA-N -1 0 351.280 3.198 50 0 FGAARM Cc1cc(S(=O)(=O)N2CCCc3ccc(F)cc32)sc1C(=O)[O-] ZINC000055601156 136127362 /nfs/dbraw/zinc/12/73/62/136127362.db2.gz SOCJOJKXDYIQCK-UHFFFAOYSA-N -1 0 355.412 3.035 50 0 FGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(Br)c1 ZINC000005127142 209503876 /nfs/dbraw/zinc/50/38/76/209503876.db2.gz FJRWJGHZNCQXQK-UHFFFAOYSA-N -1 0 354.225 3.453 50 0 FGAARM CCC(CC)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000671022 493768842 /nfs/dbraw/zinc/76/88/42/493768842.db2.gz KLSQINCFEITCGC-UHFFFAOYSA-N -1 0 353.469 3.319 50 0 FGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1 ZINC000000682203 493768948 /nfs/dbraw/zinc/76/89/48/493768948.db2.gz ZEBDFKTXFLEVPP-UHFFFAOYSA-N -1 0 372.240 3.267 50 0 FGAARM O=C([O-])[C@@H]1CC(=O)N(Cc2ccccc2)C(=Nc2ccc(F)cc2)S1 ZINC000000708781 493769643 /nfs/dbraw/zinc/76/96/43/493769643.db2.gz PTRQTCVWTXEJEW-HNNXBMFYSA-N -1 0 358.394 3.432 50 0 FGAARM COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000000854390 493777510 /nfs/dbraw/zinc/77/75/10/493777510.db2.gz MZYCUVCDGLERQF-SFHVURJKSA-N -1 0 352.390 3.238 50 0 FGAARM COc1ccc2c(=O)cc(-c3cc(C(=O)[O-])cc4c3OCOC4)oc2c1 ZINC000000940969 493778827 /nfs/dbraw/zinc/77/88/27/493778827.db2.gz LGJVLDVUEFDFJF-UHFFFAOYSA-N -1 0 354.314 3.033 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2cc(C(C)(C)C)sc2C(N)=O)cc1 ZINC000001026325 493781795 /nfs/dbraw/zinc/78/17/95/493781795.db2.gz LXFKNPNQRYQELL-UHFFFAOYSA-N -1 0 352.481 3.254 50 0 FGAARM O=C(Nc1ccncc1)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000001239476 493790596 /nfs/dbraw/zinc/79/05/96/493790596.db2.gz YLAMFYNUPFITHL-UHFFFAOYSA-N -1 0 371.396 3.403 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCn2ccc3ccccc32)c1 ZINC000028813796 493803302 /nfs/dbraw/zinc/80/33/02/493803302.db2.gz KMCZZPJOYSLMFX-UHFFFAOYSA-N -1 0 372.446 3.169 50 0 FGAARM CSc1nc2sc3c(c2c(SCC(=O)[O-])n1)CC(C)(C)OC3 ZINC000002237023 493803462 /nfs/dbraw/zinc/80/34/62/493803462.db2.gz IXXWYVBNIBPYDS-UHFFFAOYSA-N -1 0 356.494 3.441 50 0 FGAARM O=C([O-])CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCC3 ZINC000002314786 493805915 /nfs/dbraw/zinc/80/59/15/493805915.db2.gz BOSVEPCRGWZRFB-UHFFFAOYSA-N -1 0 358.444 3.113 50 0 FGAARM O=C([O-])CC12C[C@H]3C[C@@H](C1)CC(n1ncc(Cl)c(Cl)c1=O)(C3)C2 ZINC000002732050 493817424 /nfs/dbraw/zinc/81/74/24/493817424.db2.gz DXOXDTGEXXVREU-JSFIFOFKSA-N -1 0 357.237 3.320 50 0 FGAARM O=S(=O)([N-]c1cnn(Cc2ccccc2Cl)c1)c1cccs1 ZINC000002779158 493819294 /nfs/dbraw/zinc/81/92/94/493819294.db2.gz UIRCKRLDCYGAQB-UHFFFAOYSA-N -1 0 353.856 3.447 50 0 FGAARM O=C([O-])c1ccccc1N1C(=O)c2ccc(C(=O)c3ccccc3)cc2C1=O ZINC000002898565 493823882 /nfs/dbraw/zinc/82/38/82/493823882.db2.gz CCCYBQILQINSSY-UHFFFAOYSA-N -1 0 371.348 3.416 50 0 FGAARM O=C([O-])[C@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000003319149 493838094 /nfs/dbraw/zinc/83/80/94/493838094.db2.gz QZHRRVUUNSPCDW-LJQANCHMSA-N -1 0 367.426 3.040 50 0 FGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccccc2OC)cc1Cl ZINC000003348273 493839936 /nfs/dbraw/zinc/83/99/36/493839936.db2.gz PTNKQKRFZWLELQ-UHFFFAOYSA-N -1 0 357.815 3.167 50 0 FGAARM COc1ccc(OCC(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000003626971 493856577 /nfs/dbraw/zinc/85/65/77/493856577.db2.gz SJANYLPHMRNIJO-INIZCTEOSA-N -1 0 363.797 3.060 50 0 FGAARM CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1 ZINC000003642587 493857086 /nfs/dbraw/zinc/85/70/86/493857086.db2.gz AOKUDPROPXNSLK-MAUKXSAKSA-N -1 0 359.447 3.453 50 0 FGAARM COc1cccc([N-]S(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000068741090 493865836 /nfs/dbraw/zinc/86/58/36/493865836.db2.gz PBUWISWKVDIVFR-UHFFFAOYSA-N -1 0 360.204 3.398 50 0 FGAARM CC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc21 ZINC000005099516 493913895 /nfs/dbraw/zinc/91/38/95/493913895.db2.gz BYYQKTLJKYMXBR-UHFFFAOYSA-N -1 0 366.389 3.065 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Br)cc2)ccc1F ZINC000005234957 493920072 /nfs/dbraw/zinc/92/00/72/493920072.db2.gz AXQXDZDRZRGBKO-UHFFFAOYSA-N -1 0 374.187 3.087 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)nc(C)n1 ZINC000005925126 493945240 /nfs/dbraw/zinc/94/52/40/493945240.db2.gz JAODVCGPBSDRCC-UHFFFAOYSA-N -1 0 374.466 3.023 50 0 FGAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005954333 493946098 /nfs/dbraw/zinc/94/60/98/493946098.db2.gz RCFBHZVJIMQOPR-RYUDHWBXSA-N -1 0 353.440 3.317 50 0 FGAARM COc1ccc(Cl)cc1NC(=O)CSc1ccc(C(=O)[O-])cn1 ZINC000006811569 493981435 /nfs/dbraw/zinc/98/14/35/493981435.db2.gz XMYZLTXLDRMRAM-UHFFFAOYSA-N -1 0 352.799 3.173 50 0 in-vitro FGAARM CCc1ccc(-c2cc(C)no2)cc1S(=O)(=O)[N-]c1cc(C)ccn1 ZINC000006887825 493985356 /nfs/dbraw/zinc/98/53/56/493985356.db2.gz HAKLBHNHFVVUOH-UHFFFAOYSA-N -1 0 357.435 3.139 50 0 FGAARM CCOc1ccc(-c2ccnc(N[C@H](C)c3ncc[nH]3)n2)cc1C(=O)[O-] ZINC000077354402 494065624 /nfs/dbraw/zinc/06/56/24/494065624.db2.gz TXJDRGBSLDHXIF-LLVKDONJSA-N -1 0 353.382 3.137 50 0 FGAARM Cn1ccnc1[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1ccc(F)cc1 ZINC000040012023 494125815 /nfs/dbraw/zinc/12/58/15/494125815.db2.gz NMIPXIPOQGNPTC-MRXNPFEDSA-N -1 0 359.788 3.438 50 0 FGAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)c3cccc4nccnc43)C2)c1 ZINC000072143090 494132810 /nfs/dbraw/zinc/13/28/10/494132810.db2.gz OQVFVJKAOLJSDT-HNNXBMFYSA-N -1 0 361.401 3.033 50 0 FGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2ccc(C)c(F)c2)c(C)n1C ZINC000064863306 494156674 /nfs/dbraw/zinc/15/66/74/494156674.db2.gz LHHAZDBJZOSRKN-UHFFFAOYSA-N -1 0 368.430 3.067 50 0 FGAARM Cc1cc(C(=O)[N-]c2nnc(-c3ccc(Br)s3)o2)on1 ZINC000011695494 494186848 /nfs/dbraw/zinc/18/68/48/494186848.db2.gz BGAUTNZMMHNPME-UHFFFAOYSA-N -1 0 355.173 3.109 50 0 FGAARM CCCN(CC(=O)Nc1cccc(C)c1)Cc1nc(=O)c2sccc2[n-]1 ZINC000012736179 494253188 /nfs/dbraw/zinc/25/31/88/494253188.db2.gz OHVPTKPYASJJGN-UHFFFAOYSA-N -1 0 370.478 3.144 50 0 FGAARM COc1cc(C(=O)N2CCC(C(=O)[O-])CC2)cc(Cl)c1OC(C)C ZINC000013167455 494280449 /nfs/dbraw/zinc/28/04/49/494280449.db2.gz VRYJIEFHLIJLNQ-UHFFFAOYSA-N -1 0 355.818 3.073 50 0 FGAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccc2ccccc2c1 ZINC000013262238 494283922 /nfs/dbraw/zinc/28/39/22/494283922.db2.gz XBSFQXPLSHVEOE-UHFFFAOYSA-N -1 0 371.414 3.372 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2F)ccc1Br ZINC000013345519 494286404 /nfs/dbraw/zinc/28/64/04/494286404.db2.gz BRDREXWYLIESEZ-UHFFFAOYSA-N -1 0 374.187 3.087 50 0 FGAARM Cc1ccc(S(C)(=O)=O)cc1NC(=O)CC1(C(=O)[O-])CCCCCC1 ZINC000013468206 494288444 /nfs/dbraw/zinc/28/84/44/494288444.db2.gz WZWMXVPFVLNTJE-UHFFFAOYSA-N -1 0 367.467 3.152 50 0 FGAARM COC(=O)c1cc2ccccc2cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000055149509 494306600 /nfs/dbraw/zinc/30/66/00/494306600.db2.gz ZRCCPPWKFDIABJ-LSDHHAIUSA-N -1 0 353.374 3.232 50 0 FGAARM CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000055150216 494307131 /nfs/dbraw/zinc/30/71/31/494307131.db2.gz WKKQLOXVJAYTOJ-QWHCGFSZSA-N -1 0 364.829 3.084 50 0 FGAARM CCC(CC)n1c2ncc(C(=O)[O-])cc2n(CCCc2cccnc2)c1=O ZINC000055200132 494312984 /nfs/dbraw/zinc/31/29/84/494312984.db2.gz BBYOVUSQHBOSEK-UHFFFAOYSA-N -1 0 368.437 3.285 50 0 FGAARM O=C1[N-]C(=O)/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)N1 ZINC000015012919 494334490 /nfs/dbraw/zinc/33/44/90/494334490.db2.gz SXOJICIVCDMUGZ-DHDCSXOGSA-N -1 0 373.206 3.208 50 0 FGAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(c4ccccc4F)CC3)c12 ZINC000021651043 494501904 /nfs/dbraw/zinc/50/19/04/494501904.db2.gz FUEBZTCSDSMKRA-UHFFFAOYSA-N -1 0 372.425 3.164 50 0 FGAARM COc1cc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc(OC)c1 ZINC000021707336 494504335 /nfs/dbraw/zinc/50/43/35/494504335.db2.gz UQJWEXCBGSTRMA-UHFFFAOYSA-N -1 0 366.420 3.221 50 0 FGAARM CCOc1ccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)cc1 ZINC000022625944 494529489 /nfs/dbraw/zinc/52/94/89/494529489.db2.gz BOEIQXGDEBLHCJ-OAHLLOKOSA-N -1 0 358.467 3.389 50 0 FGAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])Cc1cccc(Br)c1 ZINC000091296917 494578141 /nfs/dbraw/zinc/57/81/41/494578141.db2.gz MDEDSOKOECEQFP-GFCCVEGCSA-N -1 0 358.232 3.360 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc3ncsc3c2)c1 ZINC000024152947 494609627 /nfs/dbraw/zinc/60/96/27/494609627.db2.gz PTUDGFCGHHPSNQ-UHFFFAOYSA-N -1 0 362.432 3.048 50 0 FGAARM O=C([O-])c1cn(C[C@H]2CCCN(c3ccnc4cc(Cl)ccc43)C2)nn1 ZINC000067739482 494628627 /nfs/dbraw/zinc/62/86/27/494628627.db2.gz NNHYKGLMFGYVAB-LBPRGKRZSA-N -1 0 371.828 3.095 50 0 FGAARM O=C([O-])c1cccnc1N1CCC[C@@](CO)(CCCc2ccccc2)C1 ZINC000067741005 494629257 /nfs/dbraw/zinc/62/92/57/494629257.db2.gz GMZQGPDSTQYZMX-NRFANRHFSA-N -1 0 354.450 3.382 50 0 FGAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@@H]2CCOc3ccccc32)n1 ZINC000075106645 494691403 /nfs/dbraw/zinc/69/14/03/494691403.db2.gz XDWWZFIWDZJTGZ-OAHLLOKOSA-N -1 0 367.380 3.279 50 0 FGAARM O=C(CSc1nc(=O)c2sccc2[n-]1)NCc1ccc(F)cc1F ZINC000057477636 494759274 /nfs/dbraw/zinc/75/92/74/494759274.db2.gz DZKLXMGZHIOTFI-UHFFFAOYSA-N -1 0 367.402 3.084 50 0 FGAARM O=C([O-])CC1(CC(=O)Nc2cccc(N3CCOC3=O)c2)CCCCC1 ZINC000027056736 494851238 /nfs/dbraw/zinc/85/12/38/494851238.db2.gz CNTXJDKPPJGFJQ-UHFFFAOYSA-N -1 0 360.410 3.397 50 0 FGAARM CO[C@@H]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2)C1 ZINC000096122362 495003014 /nfs/dbraw/zinc/00/30/14/495003014.db2.gz GYPSJOZFWOLYTR-OAHLLOKOSA-N -1 0 352.481 3.082 50 0 FGAARM CCc1ccc([C@H]2CCCCN2CC2=Nc3ccccc3S(=O)(=O)[N-]2)o1 ZINC000124854094 495354906 /nfs/dbraw/zinc/35/49/06/495354906.db2.gz SGTTWRHGECLPHD-MRXNPFEDSA-N -1 0 373.478 3.391 50 0 FGAARM CCCCN(c1ccccc1C(=O)[O-])S(=O)(=O)c1sc(C)nc1C ZINC000170600682 495532587 /nfs/dbraw/zinc/53/25/87/495532587.db2.gz VJRBIQRLKGNXBE-UHFFFAOYSA-N -1 0 368.480 3.454 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N(C[C@@H]3C[C@@H]3C)C(C)C)cc2[n-]c1=S ZINC000170640944 495542530 /nfs/dbraw/zinc/54/25/30/495542530.db2.gz KTXYZXGOXGGDFV-JSGCOSHPSA-N -1 0 359.495 3.212 50 0 FGAARM CO[C@@H]1C[C@H](C(=O)[O-])N(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000225519058 497065968 /nfs/dbraw/zinc/06/59/68/497065968.db2.gz GOESKKWJKIVPTO-IAGOWNOFSA-N -1 0 356.378 3.185 50 0 FGAARM COc1ccc(/C=C/C(=O)[O-])cc1NC(=S)NC(=O)c1ccc(C)cc1 ZINC000226357001 497082595 /nfs/dbraw/zinc/08/25/95/497082595.db2.gz CRXHWCIZWXDKLA-UXBLZVDNSA-N -1 0 370.430 3.228 50 0 FGAARM CN1C(=S)N(c2ccccc2)C(=O)[C@@H]1N=Nc1ccccc1C(=O)[O-] ZINC000252642012 497313836 /nfs/dbraw/zinc/31/38/36/497313836.db2.gz ZIBQKKZPNNXMHP-CQSZACIVSA-N -1 0 354.391 3.058 50 0 FGAARM Cc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c(C)n1Cc1ccccc1 ZINC000262436007 497555727 /nfs/dbraw/zinc/55/57/27/497555727.db2.gz NDIWGDRIPHCXRU-IBGZPJMESA-N -1 0 366.461 3.480 50 0 FGAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c1 ZINC000262528812 497570703 /nfs/dbraw/zinc/57/07/03/497570703.db2.gz SDTXEFGBSOWJSC-OAHLLOKOSA-N -1 0 367.405 3.267 50 0 FGAARM O=C([O-])C1CCC(CC(=O)NCc2ccc(Br)s2)CC1 ZINC000573209837 506144626 /nfs/dbraw/zinc/14/46/26/506144626.db2.gz QGHRMZJZSOOPNC-UHFFFAOYSA-N -1 0 360.273 3.408 50 0 FGAARM O=C([O-])c1cncc(-c2ccc(C(=O)N3C[C@@H]4CCC[C@@H](C4)C3)cc2)n1 ZINC000426690791 500307030 /nfs/dbraw/zinc/30/70/30/500307030.db2.gz ZFLIWAFCEZXJRN-OKILXGFUSA-N -1 0 351.406 3.104 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3c(cc(Br)cc3F)[nH]2)C1 ZINC000268948137 526272770 /nfs/dbraw/zinc/27/27/70/526272770.db2.gz QRAKTBQMILXQER-MRVPVSSYSA-N -1 0 369.190 3.006 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)CCC2CCCC2)C[C@H]1c1ccc2c(c1)OCO2 ZINC000091416988 526284070 /nfs/dbraw/zinc/28/40/70/526284070.db2.gz SBXQGTOAYYCOGV-JKSUJKDBSA-N -1 0 359.422 3.012 50 0 FGAARM Cc1oc(CN(C)C(=O)c2cccc(OC[C@@H]3CCCO3)c2)cc1C(=O)[O-] ZINC000262437801 526768932 /nfs/dbraw/zinc/76/89/32/526768932.db2.gz FVZNZXTUNIJIOM-INIZCTEOSA-N -1 0 373.405 3.116 50 0 FGAARM COc1cccc(-c2cc(C(F)F)nc(N3CCC(C(=O)[O-])CC3)n2)c1 ZINC000002554256 537063670 /nfs/dbraw/zinc/06/36/70/537063670.db2.gz OXBQGJBJVHZMCE-UHFFFAOYSA-N -1 0 363.364 3.391 50 0 FGAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc5c(c4)CCC5)c(=O)c2=3)cc1C ZINC000102818300 570839411 /nfs/dbraw/zinc/83/94/11/570839411.db2.gz DDSDFEOKADRKPV-RBUKOAKNSA-N -1 0 360.417 3.290 50 0 FGAARM C[Si](C)(C)CCOCn1cc(C(=O)[O-])c2nc(Br)cnc21 ZINC000202420529 571192074 /nfs/dbraw/zinc/19/20/74/571192074.db2.gz TZANAKVXISCMLH-UHFFFAOYSA-N -1 0 372.295 3.204 50 0 FGAARM O=C([O-])c1cccc(OCCNC(=O)N2CCCC[C@@H]2c2ccccn2)c1 ZINC000670460059 571356405 /nfs/dbraw/zinc/35/64/05/571356405.db2.gz JBRODXTVELNPDD-GOSISDBHSA-N -1 0 369.421 3.095 50 0 FGAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)c1ccccc1 ZINC000006241639 601188083 /nfs/dbraw/zinc/18/80/83/601188083.db2.gz UUORYBZNGBYBBQ-CYBMUJFWSA-N -1 0 374.245 3.488 50 0 FGAARM 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O=C([O-])[C@@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)cc1Cl ZINC000000752056 493771491 /nfs/dbraw/zinc/77/14/91/493771491.db2.gz YPUCAGJECDDDTR-CQSZACIVSA-N -1 0 368.216 3.184 50 0 FGAARM COC(=O)C1=C(C)NC(C)=C(C(=O)[O-])[C@@H]1c1ccc(Cl)cc1Cl ZINC000001403907 493793867 /nfs/dbraw/zinc/79/38/67/493793867.db2.gz ATWQDQHLZBADDO-AWEZNQCLSA-N -1 0 356.205 3.486 50 0 FGAARM O=C([O-])CCCn1cc(NC(=O)COc2cccc(Cl)c2Cl)cn1 ZINC000001428540 493794012 /nfs/dbraw/zinc/79/40/12/493794012.db2.gz IACYCKDMIOUCIQ-UHFFFAOYSA-N -1 0 372.208 3.072 50 0 FGAARM O=C(COc1ccc(Cl)cc1)n1cc(C(=O)c2ccccc2[O-])cn1 ZINC000002652831 493814284 /nfs/dbraw/zinc/81/42/84/493814284.db2.gz UAABJNOMUGIGNW-UHFFFAOYSA-N -1 0 356.765 3.192 50 0 aggregator FGAARM COc1ccc([N-]S(=O)(=O)c2ccc(OC)c(Cl)c2)c(OC)c1 ZINC000002874507 493823457 /nfs/dbraw/zinc/82/34/57/493823457.db2.gz DGTJEUZVLBNGAA-UHFFFAOYSA-N -1 0 357.815 3.167 50 0 FGAARM COc1ccc(NC(=O)CCn2c(=O)c3sccc3[n-]c2=S)cc1 ZINC000002932400 493825059 /nfs/dbraw/zinc/82/50/59/493825059.db2.gz UALFDDILVFJFHX-UHFFFAOYSA-N -1 0 361.448 3.158 50 0 FGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Cc1c[nH]c2ccccc12 ZINC000003070965 493829836 /nfs/dbraw/zinc/82/98/36/493829836.db2.gz FOSPCYZZRVNHJS-LJQANCHMSA-N -1 0 361.401 3.004 50 0 in-vitro FGAARM Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)ccc1OCC(=O)[O-] ZINC000058377273 493848143 /nfs/dbraw/zinc/84/81/43/493848143.db2.gz UTKSNSNASRMERI-UHFFFAOYSA-N -1 0 373.789 3.052 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000003805921 493858093 /nfs/dbraw/zinc/85/80/93/493858093.db2.gz PXGPLTODNUVGFL-NAPLMKITSA-N -1 0 354.487 3.043 50 0 endogenous,in-man FGAARM CCOC(=O)c1ccc(NC(=O)[C@H]2[C@H]3CC[C@H](C3=C(C)C)[C@@H]2C(=O)[O-])cc1 ZINC000003893776 493858972 /nfs/dbraw/zinc/85/89/72/493858972.db2.gz RASSOCXEEAYAHT-MVJTYMMSSA-N -1 0 371.433 3.495 50 0 FGAARM CCOc1ccc(-c2nnc3ccc(S[C@@H](CC)C(=O)[O-])nn32)cc1 ZINC000004165126 493867340 /nfs/dbraw/zinc/86/73/40/493867340.db2.gz HIMKKUSVAIYKPI-ZDUSSCGKSA-N -1 0 358.423 3.145 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000004167010 493867451 /nfs/dbraw/zinc/86/74/51/493867451.db2.gz AMCZBHHCVNIEHX-CVEARBPZSA-N -1 0 356.447 3.136 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)[O-] ZINC000004884953 493898428 /nfs/dbraw/zinc/89/84/28/493898428.db2.gz RLVQKHQQUJHCQK-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCCN3C(C)=O)s1 ZINC000005099527 493913367 /nfs/dbraw/zinc/91/33/67/493913367.db2.gz YNSUBTNURGMANC-UHFFFAOYSA-N -1 0 364.492 3.410 50 0 FGAARM CC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3ccc(F)cc3F)cc21 ZINC000005136446 493915788 /nfs/dbraw/zinc/91/57/88/493915788.db2.gz ZMAUOXYNVURHRT-UHFFFAOYSA-N -1 0 366.389 3.065 50 0 FGAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccc1F ZINC000005396101 493928941 /nfs/dbraw/zinc/92/89/41/493928941.db2.gz GRJJJKPMQQOBLI-YOEHRIQHSA-N -1 0 363.410 3.202 50 0 FGAARM CCC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005625240 493937384 /nfs/dbraw/zinc/93/73/84/493937384.db2.gz FMHHUYHGICZSLP-BMRADRMJSA-N -1 0 367.380 3.493 50 0 FGAARM CCCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007709318 494037215 /nfs/dbraw/zinc/03/72/15/494037215.db2.gz DDCIHZOOJAYMCE-UHFFFAOYSA-N -1 0 374.462 3.403 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000007708568 494037824 /nfs/dbraw/zinc/03/78/24/494037824.db2.gz ICHQISMVDGLXMK-UHFFFAOYSA-N -1 0 360.435 3.013 50 0 FGAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@H]1c1ccsc1 ZINC000063810263 494090938 /nfs/dbraw/zinc/09/09/38/494090938.db2.gz GZWYJJKQBRNPJS-AWEZNQCLSA-N -1 0 357.460 3.251 50 0 FGAARM O=C(CCc1cc(=O)[n-]o1)N1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000071763669 494099434 /nfs/dbraw/zinc/09/94/34/494099434.db2.gz QOWZBBYMCNVZTC-AWEZNQCLSA-N -1 0 371.220 3.220 50 0 FGAARM O=C([O-])CN1C(=O)/C(=C/c2ccc(CSC(F)F)o2)SC1=S ZINC000071795536 494101361 /nfs/dbraw/zinc/10/13/61/494101361.db2.gz NPFDHQCMVQLPSG-BAQGIRSFSA-N -1 0 365.404 3.021 50 0 FGAARM O=C([N-]c1nnc(SCc2ccccc2F)s1)c1csnn1 ZINC000009250860 494118864 /nfs/dbraw/zinc/11/88/64/494118864.db2.gz AFJZEEHPGSXBFQ-UHFFFAOYSA-N -1 0 353.429 3.073 50 0 FGAARM Cc1ccc(-c2ccnc(-c3cc(NCC(=O)[O-])nc4[nH]ccc43)n2)c(C)n1 ZINC000072128116 494129924 /nfs/dbraw/zinc/12/99/24/494129924.db2.gz GTOJAUDAVAKLNT-UHFFFAOYSA-N -1 0 374.404 3.195 50 0 FGAARM CSCC[C@H](Nc1ncnc2c1c(C)c(C)n2Cc1ccco1)C(=O)[O-] ZINC000009970658 494137961 /nfs/dbraw/zinc/13/79/61/494137961.db2.gz KHECPNSOCNGZCK-AWEZNQCLSA-N -1 0 374.466 3.308 50 0 FGAARM O=C([O-])C1(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)CCCCC1 ZINC000072276987 494147492 /nfs/dbraw/zinc/14/74/92/494147492.db2.gz AGFKZYQJWOGRTG-UHFFFAOYSA-N -1 0 360.385 3.317 50 0 FGAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cccn3nc(C4CCC4)nc23)c1 ZINC000065284036 494185909 /nfs/dbraw/zinc/18/59/09/494185909.db2.gz NAJSAPCVJYYHLK-UHFFFAOYSA-N -1 0 356.451 3.414 50 0 FGAARM CO[C@@H](C)c1nnc(SCC(=O)[O-])n1-c1ccccc1C(F)(F)F ZINC000065421672 494195650 /nfs/dbraw/zinc/19/56/50/494195650.db2.gz YZABZYZSVKEOIB-QMMMGPOBSA-N -1 0 361.345 3.170 50 0 FGAARM CC(=O)N(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1 ZINC000065833310 494244426 /nfs/dbraw/zinc/24/44/26/494244426.db2.gz NIYULTAEBYRMLN-UHFFFAOYSA-N -1 0 356.806 3.263 50 0 FGAARM COc1ccc(NC(C)=O)cc1NC(=O)C[C@](C)(C(=O)[O-])c1ccccc1 ZINC000012885473 494267817 /nfs/dbraw/zinc/26/78/17/494267817.db2.gz HPJSVQBTJJUSKH-FQEVSTJZSA-N -1 0 370.405 3.025 50 0 FGAARM Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1C(=O)[O-] ZINC000013196699 494281805 /nfs/dbraw/zinc/28/18/05/494281805.db2.gz FNDPYGJWNIGZIE-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(Cl)cc1 ZINC000013234795 494282803 /nfs/dbraw/zinc/28/28/03/494282803.db2.gz ARCSNBVXFRJVRI-QGZVFWFLSA-N -1 0 371.824 3.316 50 0 FGAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc(Br)cc1 ZINC000089280024 494283667 /nfs/dbraw/zinc/28/36/67/494283667.db2.gz CBSGXIYXMSDMNU-UHFFFAOYSA-N -1 0 372.288 3.108 50 0 FGAARM CC(C)c1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)n1C1CC1 ZINC000013462624 494288545 /nfs/dbraw/zinc/28/85/45/494288545.db2.gz IWZAKJYLSGTWIK-UHFFFAOYSA-N -1 0 360.439 3.165 50 0 FGAARM Cc1cccc(NC(=O)CN(C)Cc2nc(=O)c3sccc3[n-]2)c1C ZINC000014018332 494299908 /nfs/dbraw/zinc/29/99/08/494299908.db2.gz MZQMUYAPMAYROV-UHFFFAOYSA-N -1 0 356.451 3.084 50 0 FGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1Cl ZINC000014097720 494302792 /nfs/dbraw/zinc/30/27/92/494302792.db2.gz LAEJABHPHWECEL-UHFFFAOYSA-N -1 0 360.769 3.377 50 0 FGAARM Cc1cc(C[C@H](C)n2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)n[nH]1 ZINC000055382804 494334965 /nfs/dbraw/zinc/33/49/65/494334965.db2.gz SDQURFRVAXEHFL-ZDUSSCGKSA-N -1 0 353.378 3.174 50 0 FGAARM Cc1nc(-n2[n-]c(C)c(CCC(C)C)c2=O)sc1C(=O)N1CCCC1 ZINC000015671519 494365477 /nfs/dbraw/zinc/36/54/77/494365477.db2.gz VHHDUEKWMFHMCM-UHFFFAOYSA-N -1 0 362.499 3.476 50 0 FGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)CC3CCCC3)cc2s1 ZINC000015861969 494370948 /nfs/dbraw/zinc/37/09/48/494370948.db2.gz KDPAJNRERIHYSZ-UHFFFAOYSA-N -1 0 353.469 3.187 50 0 FGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NC1CCCCCC1 ZINC000016206467 494381659 /nfs/dbraw/zinc/38/16/59/494381659.db2.gz ZUPSISGHRQWYDY-UHFFFAOYSA-N -1 0 359.445 3.385 50 0 FGAARM O=c1[n-]c(Nc2ccc3c(c2)OCCO3)nnc1Cc1ccccc1Cl ZINC000016777432 494401694 /nfs/dbraw/zinc/40/16/94/494401694.db2.gz WHVRWBVQMKCRFQ-UHFFFAOYSA-N -1 0 370.796 3.336 50 0 FGAARM CCC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000016974102 494405024 /nfs/dbraw/zinc/40/50/24/494405024.db2.gz JCPMDOBRFQOYGW-FOCLMDBBSA-N -1 0 359.401 3.313 50 0 FGAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(N)=O)CCc1ccccc1-2 ZINC000017076278 494407462 /nfs/dbraw/zinc/40/74/62/494407462.db2.gz QQIZMBOCMCPSRW-SNVBAGLBSA-N -1 0 372.446 3.052 50 0 FGAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1cccc(Cl)c1 ZINC000017908681 494419202 /nfs/dbraw/zinc/41/92/02/494419202.db2.gz FPZQTYQVYSVUCA-SNVBAGLBSA-N -1 0 373.865 3.367 50 0 FGAARM O=C1Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cn3)c3cccc1c23 ZINC000019943913 494464552 /nfs/dbraw/zinc/46/45/52/494464552.db2.gz KAZFLDDDEKXFCG-UHFFFAOYSA-N -1 0 359.794 3.255 50 0 FGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1c(C)cccc1CC ZINC000020574908 494476703 /nfs/dbraw/zinc/47/67/03/494476703.db2.gz NMDMRJYHEXZLTO-UHFFFAOYSA-N -1 0 364.467 3.480 50 0 FGAARM COc1ccc(OC)c(/C=C(/NC(=O)c2ccccc2Cl)C(=O)[O-])c1 ZINC000022229434 494517617 /nfs/dbraw/zinc/51/76/17/494517617.db2.gz FPSBRBXPEIKYQV-XNTDXEJSSA-N -1 0 361.781 3.213 50 0 FGAARM CCn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)cn1 ZINC000024577016 494643215 /nfs/dbraw/zinc/64/32/15/494643215.db2.gz BGQGEVJVHSAVRQ-UHFFFAOYSA-N -1 0 353.753 3.376 50 0 FGAARM Cc1cccc(NCc2nn3c([n-]2)nc(C)c(Cc2ccccc2)c3=O)c1 ZINC000101802771 495100198 /nfs/dbraw/zinc/10/01/98/495100198.db2.gz FUJVCZKICAVYME-UHFFFAOYSA-N -1 0 359.433 3.237 50 0 FGAARM C[C@H](CN(C)C(=O)c1ccc2c(c1)C(C)(C)CCC2(C)C)c1nnn[n-]1 ZINC000124321799 495270228 /nfs/dbraw/zinc/27/02/28/495270228.db2.gz YCINNVCSSLYQKZ-CYBMUJFWSA-N -1 0 355.486 3.424 50 0 FGAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)cc1 ZINC000170091846 496718931 /nfs/dbraw/zinc/71/89/31/496718931.db2.gz KDBVRLAQAAJTFJ-MRXNPFEDSA-N -1 0 371.462 3.357 50 0 FGAARM COc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2cc(C)ccc2[nH]1 ZINC000215677820 496981746 /nfs/dbraw/zinc/98/17/46/496981746.db2.gz DCDVWKYMYHCFRS-UHFFFAOYSA-N -1 0 371.418 3.309 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2nncn2Cc2ccccc2)c(Cl)c1 ZINC000225397933 497060810 /nfs/dbraw/zinc/06/08/10/497060810.db2.gz JBUHVRXDWGOVQD-UHFFFAOYSA-N -1 0 362.842 3.089 50 0 FGAARM CCOc1c(Br)cc(Cl)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC000229351245 497096353 /nfs/dbraw/zinc/09/63/53/497096353.db2.gz BONGFUCGWIKTTR-LURJTMIESA-N -1 0 350.596 3.160 50 0 FGAARM [O-]c1c([C@@H](c2ccc(F)c(Cl)c2)N2CCCC2)sc2ncnn12 ZINC000253411468 497331538 /nfs/dbraw/zinc/33/15/38/497331538.db2.gz OQJHZNCOJUKGTL-GFCCVEGCSA-N -1 0 352.822 3.474 50 0 FGAARM Cc1cccc(C)c1NC(=S)NN=Cc1ccc(OCC(=O)[O-])cc1 ZINC000254851678 497351541 /nfs/dbraw/zinc/35/15/41/497351541.db2.gz RGLFBABJFAOWNJ-UHFFFAOYSA-N -1 0 357.435 3.087 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000261704820 497437581 /nfs/dbraw/zinc/43/75/81/497437581.db2.gz JOAZTCPZSLKXCZ-SECBINFHSA-N -1 0 352.184 3.132 50 0 FGAARM O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCOC1 ZINC000262782714 497620752 /nfs/dbraw/zinc/62/07/52/497620752.db2.gz MIESHMUBTCWIBZ-CRAIPNDOSA-N -1 0 355.390 3.089 50 0 FGAARM Cc1cc2cc(C(=O)N[C@H]3C[C@@H](C(=O)[O-])C3)oc2c(Br)c1 ZINC000263183509 497726849 /nfs/dbraw/zinc/72/68/49/497726849.db2.gz HPSKUSWTTMNBRQ-AOOOYVTPSA-N -1 0 352.184 3.097 50 0 FGAARM O=C([O-])c1ccc(CC(=O)N2CCO[C@@H](c3cccc(Cl)c3)C2)cc1 ZINC000263573881 497801881 /nfs/dbraw/zinc/80/18/81/497801881.db2.gz MZVUYAORROCMFB-QGZVFWFLSA-N -1 0 359.809 3.181 50 0 FGAARM O=C([O-])[C@@]12CN(C(=O)c3ccccn3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000299779797 497920192 /nfs/dbraw/zinc/92/01/92/497920192.db2.gz ODSQYBOFAMUBCO-FIKGOQFSSA-N -1 0 350.418 3.192 50 0 FGAARM CCN(CCOC)C(=O)c1cccc(-c2ncc(C(=O)[O-])cc2Cl)c1 ZINC000426522849 500285003 /nfs/dbraw/zinc/28/50/03/500285003.db2.gz HPOBITOVUHVVFZ-UHFFFAOYSA-N -1 0 362.813 3.209 50 0 FGAARM CCOc1cc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(Cl)c1OC ZINC000606441884 507406601 /nfs/dbraw/zinc/40/66/01/507406601.db2.gz FWYIJTASVCSZDU-FMFIFOJESA-N -1 0 367.829 3.084 50 0 FGAARM COc1ccc(NC(=O)Nc2ccccc2-c2nnc(C)c(=O)[n-]2)cc1 ZINC000585157977 507580395 /nfs/dbraw/zinc/58/03/95/507580395.db2.gz ZVYIGNLIBRBLMJ-UHFFFAOYSA-N -1 0 351.366 3.205 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)ccc1C(=O)[O-] ZINC000237319298 522432543 /nfs/dbraw/zinc/43/25/43/522432543.db2.gz RZJIQTTYWJZJPJ-KGLIPLIRSA-N -1 0 361.344 3.092 50 0 FGAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000237323853 524064879 /nfs/dbraw/zinc/06/48/79/524064879.db2.gz IUEJXICDLLWSCQ-KGLIPLIRSA-N -1 0 361.344 3.092 50 0 FGAARM COc1ccccc1-c1nc(CC(=O)NCCCCCC(=O)[O-])cs1 ZINC000020718088 524279612 /nfs/dbraw/zinc/27/96/12/524279612.db2.gz KGUQGJPXPAWBDV-UHFFFAOYSA-N -1 0 362.451 3.122 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)cc1 ZINC000020580390 524687372 /nfs/dbraw/zinc/68/73/72/524687372.db2.gz RODYMQMHOYNKES-UHFFFAOYSA-N -1 0 374.418 3.468 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3cccc(Cl)c3)n2)C1 ZINC000020725964 526321562 /nfs/dbraw/zinc/32/15/62/526321562.db2.gz BBHWQTRTJZLFCC-LBPRGKRZSA-N -1 0 364.854 3.329 50 0 FGAARM Cc1noc2nc(-c3ccc(C)cc3)cc(C(=O)N3CC[C@H](C(=O)[O-])C3)c12 ZINC000178267827 526676376 /nfs/dbraw/zinc/67/63/76/526676376.db2.gz CUDLYDKBFGOREV-AWEZNQCLSA-N -1 0 365.389 3.053 50 0 FGAARM COc1ccc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000003888154 536948268 /nfs/dbraw/zinc/94/82/68/536948268.db2.gz CJZDORXRRYGTMN-MJGOQNOKSA-N -1 0 355.390 3.273 50 0 FGAARM CC[C@@H](C)n1ncc(C(=O)NCc2cccc(OCC(=O)[O-])c2)c1C1CC1 ZINC000191002580 571177411 /nfs/dbraw/zinc/17/74/11/571177411.db2.gz CBWBANGXLLAASZ-CYBMUJFWSA-N -1 0 371.437 3.125 50 0 FGAARM CC(C)(C)c1cccc(-c2cccc(C(=O)NCc3n[nH]c(=O)[n-]3)c2)c1 ZINC000584885539 571313800 /nfs/dbraw/zinc/31/38/00/571313800.db2.gz IGWHBTPRKVDEPV-UHFFFAOYSA-N -1 0 350.422 3.405 50 0 FGAARM CC(C)(C)OC(=O)N1CCC(Oc2ccc3c(c2)CCC3)(C(=O)[O-])CC1 ZINC000205360669 571319467 /nfs/dbraw/zinc/31/94/67/571319467.db2.gz UYWVERDOWYDRRF-UHFFFAOYSA-N -1 0 361.438 3.408 50 0 FGAARM Cc1ccc(C=Cc2nc(SCc3nc(=O)c4sccc4[n-]3)n[nH]2)o1 ZINC000098003433 700464390 /nfs/dbraw/zinc/46/43/90/700464390.db2.gz FVDFIJSFLRRRNW-PLNGDYQASA-N -1 0 371.447 3.467 50 0 FGAARM CC(C)c1nnc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)s1 ZINC000192619545 712868247 /nfs/dbraw/zinc/86/82/47/712868247.db2.gz WSKLMXRCOIWDAS-UHFFFAOYSA-N -1 0 353.469 3.176 50 0 FGAARM CC(C)(C)OC(=O)N1CCc2ccc(Br)cc2[C@H]1C(=O)[O-] ZINC000238147267 713601448 /nfs/dbraw/zinc/60/14/48/713601448.db2.gz OOLRVMPAUYPDHC-LBPRGKRZSA-N -1 0 356.216 3.368 50 0 FGAARM COc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)[O-])cc3n2)cc1OC ZINC000000721054 210265587 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C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000058355205 212006284 /nfs/dbraw/zinc/00/62/84/212006284.db2.gz VNXQHDJGGBPJJU-GFCCVEGCSA-N -1 0 357.431 3.013 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cc3c(s2)CCC3)CC1 ZINC000013185950 220061400 /nfs/dbraw/zinc/06/14/00/220061400.db2.gz QYYKKNDQALVRIF-UHFFFAOYSA-N -1 0 355.459 3.495 50 0 FGAARM O=C1N=C(Nc2nc3ccccc3s2)N=C([O-])C1Cc1ccccc1 ZINC000018043740 220221545 /nfs/dbraw/zinc/22/15/45/220221545.db2.gz CVOKPXJNADYSFT-UHFFFAOYSA-N -1 0 350.403 3.420 50 0 FGAARM O=C([O-])/C=C/c1cccc(-n2nnnc2SCc2ccccc2F)c1 ZINC000017207668 211183462 /nfs/dbraw/zinc/18/34/62/211183462.db2.gz MPKUAGVSRWIZKD-CMDGGOBGSA-N -1 0 356.382 3.192 50 0 FGAARM O=C([O-])CCCC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCC2 ZINC000017074943 211177585 /nfs/dbraw/zinc/17/75/85/211177585.db2.gz JBXCQBZCAVXAAK-UHFFFAOYSA-N -1 0 364.467 3.103 50 0 FGAARM CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])s1 ZINC000017075081 211177206 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372.335 3.134 50 0 FGAARM Cc1cccc2sc([N-][C@@]3(C(F)(F)F)N=C4SCCN4C3=O)nc21 ZINC000004686616 210551492 /nfs/dbraw/zinc/55/14/92/210551492.db2.gz ZVMWXXUNGZKUIX-CYBMUJFWSA-N -1 0 372.397 3.220 50 0 FGAARM Cc1ccc(N(CC(=O)[O-])[C@@H]2SC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000003635884 210491248 /nfs/dbraw/zinc/49/12/48/210491248.db2.gz QVTZTWNHNUNKDT-GOSISDBHSA-N -1 0 370.430 3.421 50 0 FGAARM COc1cc(/C=C/C(=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1C ZINC000003249560 210458999 /nfs/dbraw/zinc/45/89/99/210458999.db2.gz JZXXBKIRPHAZLY-RMKNXTFCSA-N -1 0 362.403 3.178 50 0 FGAARM CC1CCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000002460291 210399563 /nfs/dbraw/zinc/39/95/63/210399563.db2.gz QYENKLPKAFDBDI-UHFFFAOYSA-N -1 0 364.492 3.421 50 0 FGAARM CCOC(=O)N[C@](Nc1cccc(Cl)c1)(C(=O)OCC)C(F)(F)F ZINC000002275085 210387833 /nfs/dbraw/zinc/38/78/33/210387833.db2.gz QLCVPXDIYWYSLO-CYBMUJFWSA-N -1 0 368.739 3.320 50 0 FGAARM COc1ccc(OCCSc2nc3ccccc3n2CC(=O)[O-])cc1 ZINC000002070242 210378212 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CCc1nnc(-c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)o2)o1 ZINC000065246251 221186033 /nfs/dbraw/zinc/18/60/33/221186033.db2.gz NFVKMJHXFILPNS-UHFFFAOYSA-N -1 0 353.787 3.346 50 0 FGAARM CC[C@@H](C)C(=O)N1CCc2c(c(C(=O)[O-])nn2CCCc2ccccc2)C1 ZINC000067674226 221268096 /nfs/dbraw/zinc/26/80/96/221268096.db2.gz MJVGWAMTMLYSKM-OAHLLOKOSA-N -1 0 369.465 3.145 50 0 FGAARM COc1cc(-n2ccnc2-c2ccc(C(=O)[O-])s2)ccc1NC(C)=O ZINC000067788951 221286227 /nfs/dbraw/zinc/28/62/27/221286227.db2.gz FISUKXQFUYFXNG-UHFFFAOYSA-N -1 0 357.391 3.266 50 0 FGAARM CCc1ncc2c(n1)CN(c1nc(-c3ccc(F)cc3)ccc1C(=O)[O-])C2 ZINC000067920453 221305532 /nfs/dbraw/zinc/30/55/32/221305532.db2.gz GDOMFYCQKMMTKS-UHFFFAOYSA-N -1 0 364.380 3.459 50 0 FGAARM O=C([O-])C1(CC(=O)Nc2ccc(C(=O)NC3CC3)c(Cl)c2)CCCC1 ZINC000071817312 221379303 /nfs/dbraw/zinc/37/93/03/221379303.db2.gz CRWGBIRIVNBQJA-UHFFFAOYSA-N -1 0 364.829 3.206 50 0 FGAARM COCCNc1cc(-c2cccc(O[C@H](C)C(=O)[O-])c2)c2cc[nH]c2n1 ZINC000072422533 221511883 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CCOc1ccccc1[C@](N)(C(=O)[N-]OCc1ccccc1)C(F)(F)F ZINC000097164915 222166179 /nfs/dbraw/zinc/16/61/79/222166179.db2.gz HPVQKQWHLWFKTK-KRWDZBQOSA-N -1 0 368.355 3.050 50 0 FGAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2OC)c1=O ZINC000100512626 222246450 /nfs/dbraw/zinc/24/64/50/222246450.db2.gz SRFRKFYAAJHEIP-UHFFFAOYSA-N -1 0 352.390 3.378 50 0 FGAARM Cc1cccnc1NC(=O)c1c([O-])c2cc(F)cc3c2n(c1=O)[C@H](C)CC3 ZINC000100630041 222247640 /nfs/dbraw/zinc/24/76/40/222247640.db2.gz DQMSKTBDCIVVJM-LLVKDONJSA-N -1 0 367.380 3.309 50 0 FGAARM Cc1ccc(NC(=O)c2c([O-])c3cc(F)cc4c3n(c2=O)[C@H](C)CC4)nc1 ZINC000100630049 222248231 /nfs/dbraw/zinc/24/82/31/222248231.db2.gz NAOQFMBKKVIPKB-LLVKDONJSA-N -1 0 367.380 3.309 50 0 FGAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1 ZINC000101167137 222264836 /nfs/dbraw/zinc/26/48/36/222264836.db2.gz VDHSAYFUFQXKHT-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM O=C1O[C@H](c2c([O-])[nH]c(=S)n(C3CCCCC3)c2=O)c2ccccc21 ZINC000101337405 222269776 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GBXAMVWHXWYFIX-RQOWECAXSA-N -1 0 350.197 3.422 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C\c2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000606443844 507406171 /nfs/dbraw/zinc/40/61/71/507406171.db2.gz PWIYTISQJVIYRY-LYASGUKUSA-N -1 0 370.380 3.349 50 0 FGAARM CC[C@H](Cc1ccccc1Br)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000269144813 522316535 /nfs/dbraw/zinc/31/65/35/522316535.db2.gz OUCYLJWKJIXDBQ-GFCCVEGCSA-N -1 0 368.271 3.341 50 0 FGAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1CCOc2ccccc21)c1ccc(F)cc1 ZINC000299753633 527624441 /nfs/dbraw/zinc/62/44/41/527624441.db2.gz YVUQFKRQVUNORR-WMLDXEAASA-N -1 0 357.381 3.414 50 0 FGAARM O=C([O-])c1ccc(Cl)c(NC(=S)NC(=O)c2cccc(F)c2)c1 ZINC000004679441 570600479 /nfs/dbraw/zinc/60/04/79/570600479.db2.gz GTFGBMJSTPRHTM-UHFFFAOYSA-N -1 0 352.774 3.304 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N[C@H](C)CCc3ccco3)cc2[n-]c1=S ZINC000102782580 570838495 /nfs/dbraw/zinc/83/84/95/570838495.db2.gz VDTSQSSJISJRPW-GFCCVEGCSA-N -1 0 371.462 3.049 50 0 FGAARM COC[C@](C)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000203971372 570918350 /nfs/dbraw/zinc/91/83/50/570918350.db2.gz TUVGBVYFOYCYBF-FQEVSTJZSA-N -1 0 355.390 3.015 50 0 FGAARM O=C(Nc1ccccc1)c1cccc(S(=O)(=O)[N-]c2ccccn2)c1 ZINC000001195984 571131651 /nfs/dbraw/zinc/13/16/51/571131651.db2.gz DNPFSPCWMJNMPB-UHFFFAOYSA-N -1 0 353.403 3.135 50 0 FGAARM CSc1ccc(NC(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cc1 ZINC000426425498 571223886 /nfs/dbraw/zinc/22/38/86/571223886.db2.gz UADGKRFRILRVLQ-CYBMUJFWSA-N -1 0 374.466 3.101 50 0 FGAARM Cc1cc(-c2ccc(C(=O)NC(C)(C)c3n[n-]c(=N)s3)cc2)cc(C)n1 ZINC000426472989 571226931 /nfs/dbraw/zinc/22/69/31/571226931.db2.gz UDZNBXHOQMQQQY-UHFFFAOYSA-N -1 0 367.478 3.295 50 0 FGAARM O=C(CSc1nnc(-c2ccc(O)cc2)c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000098027870 700464562 /nfs/dbraw/zinc/46/45/62/700464562.db2.gz NGHJFMRMGSWKBA-UHFFFAOYSA-N -1 0 373.821 3.166 50 0 FGAARM Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)cc(C(=O)[O-])c1Cl ZINC000185146712 712686282 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CC(=O)c1cc2c(cc1[N-]S(=O)(=O)c1ccc(Cl)cc1)OCO2 ZINC000000682969 219313359 /nfs/dbraw/zinc/31/33/59/219313359.db2.gz BYFQTIYILMWLMY-UHFFFAOYSA-N -1 0 353.783 3.072 50 0 FGAARM O=C([O-])CN(C(=O)c1ccc(-c2ccccc2Cl)o1)C1CCOCC1 ZINC000238113407 222914799 /nfs/dbraw/zinc/91/47/99/222914799.db2.gz FXAXJFPJCTYOPB-UHFFFAOYSA-N -1 0 363.797 3.306 50 0 FGAARM COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000237315431 222906490 /nfs/dbraw/zinc/90/64/90/222906490.db2.gz NZBIAYOVNHDLBP-QWHCGFSZSA-N -1 0 361.344 3.092 50 0 FGAARM Cc1c2cc(F)ccc2sc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237730481 222909392 /nfs/dbraw/zinc/90/93/92/222909392.db2.gz CZMKTCBKACMGCG-UHFFFAOYSA-N -1 0 365.426 3.445 50 0 FGAARM Cc1c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cnn1-c1ccccc1F ZINC000237741742 222909762 /nfs/dbraw/zinc/90/97/62/222909762.db2.gz BJWZVSRUVSRBTK-AWEZNQCLSA-N -1 0 359.401 3.179 50 0 FGAARM CCCCOc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C ZINC000252495614 222974991 /nfs/dbraw/zinc/97/49/91/222974991.db2.gz 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ZINC000036359055 494090236 /nfs/dbraw/zinc/09/02/36/494090236.db2.gz QSJIWHQMVNWFML-UHFFFAOYSA-N -1 0 370.449 3.385 50 0 FGAARM Cn1ccnc1C(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000008746268 494102589 /nfs/dbraw/zinc/10/25/89/494102589.db2.gz JETNNOBZSZNFAQ-UHFFFAOYSA-N -1 0 369.421 3.015 50 0 FGAARM O=C([O-])C1CCC(NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000037561252 494107368 /nfs/dbraw/zinc/10/73/68/494107368.db2.gz ZXVXLWSZPYZHIN-UHFFFAOYSA-N -1 0 360.635 3.476 50 0 FGAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2Br)s1 ZINC000038058393 494111516 /nfs/dbraw/zinc/11/15/16/494111516.db2.gz MOJSNHUALGJDHP-UHFFFAOYSA-N -1 0 362.226 3.010 50 0 FGAARM COC(=O)[C@@H](c1cccc(C)c1)n1ccnc1-c1ccccc1C(=O)[O-] ZINC000072152359 494136105 /nfs/dbraw/zinc/13/61/05/494136105.db2.gz MHRUZKRHPXMSAC-QGZVFWFLSA-N -1 0 350.374 3.319 50 0 FGAARM COc1cccc(NC(=O)c2c[n-]c3c(c(C)nn3-c3ccccc3)c2=O)c1 ZINC000010166766 494144459 /nfs/dbraw/zinc/14/44/59/494144459.db2.gz OJZIAZGXTAWYEV-UHFFFAOYSA-N -1 0 374.400 3.283 50 0 FGAARM CC(C)Cc1cc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)no1 ZINC000072417751 494167832 /nfs/dbraw/zinc/16/78/32/494167832.db2.gz OATODQMZNQQSQI-UHFFFAOYSA-N -1 0 353.382 3.035 50 0 FGAARM CCOc1ccc(-c2ccnc(NCCc3cccnc3)n2)cc1C(=O)[O-] ZINC000072468368 494178846 /nfs/dbraw/zinc/17/88/46/494178846.db2.gz HYPACLRXDSYARJ-UHFFFAOYSA-N -1 0 364.405 3.290 50 0 FGAARM Cc1ccc(F)c(OC2(C(=O)[O-])CCN(C(=O)c3ccccc3)CC2)c1 ZINC000072475757 494180528 /nfs/dbraw/zinc/18/05/28/494180528.db2.gz NZXUSOSVAUYNGJ-UHFFFAOYSA-N -1 0 357.381 3.273 50 0 FGAARM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2ccc(Cl)cc2C(=O)O1 ZINC000011690039 494185992 /nfs/dbraw/zinc/18/59/92/494185992.db2.gz NEXXYFOCWLPLII-SFHVURJKSA-N -1 0 359.765 3.149 50 0 FGAARM O=C([O-])C1(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)CCCCC1 ZINC000042733989 494239751 /nfs/dbraw/zinc/23/97/51/494239751.db2.gz AZMMPCKESYHPEE-UHFFFAOYSA-N -1 0 358.438 3.286 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(OCc2cccnc2)c1 ZINC000055149995 494306506 /nfs/dbraw/zinc/30/65/06/494306506.db2.gz ZLNYYRWYMCEZTM-MSOLQXFVSA-N -1 0 352.390 3.266 50 0 FGAARM O=C(NCCc1c(F)cccc1F)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000057110714 494643165 /nfs/dbraw/zinc/64/31/65/494643165.db2.gz BMYBTYNQRWKIKK-UHFFFAOYSA-N -1 0 361.373 3.249 50 0 FGAARM Cc1ncsc1CCC(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095365549 494965256 /nfs/dbraw/zinc/96/52/56/494965256.db2.gz QITSMFRYQBXTOP-MRXNPFEDSA-N -1 0 358.463 3.489 50 0 FGAARM Cc1nn(C)c(C(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1Cl ZINC000095377832 494970109 /nfs/dbraw/zinc/97/01/09/494970109.db2.gz ZNLROQXAKREOML-AWEZNQCLSA-N -1 0 361.829 3.100 50 0 FGAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000095424076 494975144 /nfs/dbraw/zinc/97/51/44/494975144.db2.gz XIXRFEPPKJCLTG-ZUZCIYMTSA-N -1 0 363.845 3.126 50 0 FGAARM O=C([O-])c1cc(C(=O)N2CC[C@@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000095464120 494976862 /nfs/dbraw/zinc/97/68/62/494976862.db2.gz GBSMCGCKDNSAQS-GFCCVEGCSA-N -1 0 358.325 3.062 50 0 FGAARM O=C([O-])[C@H](NC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1F ZINC000095464037 494976995 /nfs/dbraw/zinc/97/69/95/494976995.db2.gz OCDOXIBNJLDPRM-OAHLLOKOSA-N -1 0 360.366 3.027 50 0 FGAARM CC(C)Cc1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)on1 ZINC000095505422 494982777 /nfs/dbraw/zinc/98/27/77/494982777.db2.gz GCTCILJBRBCQEV-CQSZACIVSA-N -1 0 370.327 3.448 50 0 FGAARM CC[C@@](C)(CC(=O)[O-])NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000095970229 494993160 /nfs/dbraw/zinc/99/31/60/494993160.db2.gz KVNWVGDSXFKAMV-INIZCTEOSA-N -1 0 368.480 3.396 50 0 FGAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000160752985 496035840 /nfs/dbraw/zinc/03/58/40/496035840.db2.gz IIMAIVDVAXWGEH-ZIAGYGMSSA-N -1 0 373.478 3.484 50 0 FGAARM Cc1ccc(O)c(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c1 ZINC000219117464 497007378 /nfs/dbraw/zinc/00/73/78/497007378.db2.gz GYUDCTFNUPAKKG-GRXDXKALSA-N -1 0 362.429 3.491 50 0 FGAARM COc1cc(C)cc(OC)c1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221039190 497017926 /nfs/dbraw/zinc/01/79/26/497017926.db2.gz MRSQRCIKRVUXRM-LRDDRELGSA-N -1 0 365.426 3.190 50 0 FGAARM CC(C)(C)n1nc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1C1CC1 ZINC000236786179 497144814 /nfs/dbraw/zinc/14/48/14/497144814.db2.gz MEXVMCHTJZZQFG-KMFMINBZSA-N -1 0 359.470 3.373 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000270528512 497145402 /nfs/dbraw/zinc/14/54/02/497145402.db2.gz UFPRRBVOFXIKQK-AWEZNQCLSA-N -1 0 369.446 3.173 50 0 FGAARM Cc1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cnn1-c1ccc(F)cc1 ZINC000237739080 497284642 /nfs/dbraw/zinc/28/46/42/497284642.db2.gz KAUQOOSAHYWFQM-OAHLLOKOSA-N -1 0 359.401 3.179 50 0 FGAARM O=C([O-])C[C@H]1CN(C(=O)CCCc2cc(Cl)sc2Cl)CCO1 ZINC000238046890 497332398 /nfs/dbraw/zinc/33/23/98/497332398.db2.gz IZBOUZJGPZTGQJ-JTQLQIEISA-N -1 0 366.266 3.080 50 0 FGAARM COc1cc(C)c(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1C(C)C ZINC000193441375 497381643 /nfs/dbraw/zinc/38/16/43/497381643.db2.gz IIJAOZQEYKQRIG-UHFFFAOYSA-N -1 0 362.451 3.027 50 0 FGAARM COc1ccc2c(c1)C[C@H](C)N(C(=O)Cc1ccc(C(=O)[O-])cc1)[C@H]2C ZINC000263319757 497756857 /nfs/dbraw/zinc/75/68/57/497756857.db2.gz IPEJOOKZLGLCQP-KBPBESRZSA-N -1 0 353.418 3.470 50 0 FGAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CCc1nc2ccccc2s1 ZINC000299753168 497911127 /nfs/dbraw/zinc/91/11/27/497911127.db2.gz XDPFKTMHAMVCEY-INIZCTEOSA-N -1 0 366.442 3.267 50 0 FGAARM CCOc1cc(C(=O)N2CCC[C@H]2C2CCCC2)ccc1OCC(=O)[O-] ZINC000262642561 520658587 /nfs/dbraw/zinc/65/85/87/520658587.db2.gz QHNDEWSICAGCQV-INIZCTEOSA-N -1 0 361.438 3.344 50 0 FGAARM CCCc1ncc(CN2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)cn1 ZINC000082086723 521554959 /nfs/dbraw/zinc/55/49/59/521554959.db2.gz DRLQZISUYBKJAA-UHFFFAOYSA-N -1 0 373.428 3.066 50 0 FGAARM Cc1c2ccc(C(F)(F)F)nc2sc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178263343 525963476 /nfs/dbraw/zinc/96/34/76/525963476.db2.gz AIAFCYOJFCDCRU-QMMMGPOBSA-N -1 0 358.341 3.170 50 0 FGAARM Cn1cc(S(=O)(=O)[N-]c2sc(C3CC3)nc2-c2ccccc2)cn1 ZINC000089756583 527291137 /nfs/dbraw/zinc/29/11/37/527291137.db2.gz RQKMDFGXVGLVDU-UHFFFAOYSA-N -1 0 360.464 3.222 50 0 FGAARM CCOc1ccccc1-c1noc(-c2c([O-])c3ccccc3n(C)c2=O)n1 ZINC000101725706 570822868 /nfs/dbraw/zinc/82/28/68/570822868.db2.gz PPYYQYDUAIXPLI-UHFFFAOYSA-N -1 0 363.373 3.360 50 0 FGAARM CCOc1ccccc1-n1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000102819294 570839727 /nfs/dbraw/zinc/83/97/27/570839727.db2.gz UIGZSCNPMNRNLC-QZTJIDSGSA-N -1 0 364.405 3.200 50 0 FGAARM O=C(NCc1ccccc1OC(F)(F)F)c1[n-]c(=O)nc2ccccc21 ZINC000426387220 571218233 /nfs/dbraw/zinc/21/82/33/571218233.db2.gz GMFRZPHZSGHKCQ-UHFFFAOYSA-N -1 0 363.295 3.164 50 0 FGAARM COc1ccc(/C=C(/NC(=O)c2ccccc2Cl)C(=O)[O-])c(OC)c1 ZINC000022229358 695651614 /nfs/dbraw/zinc/65/16/14/695651614.db2.gz RIMVWQUIFYJECS-OQLLNIDSSA-N -1 0 361.781 3.213 50 0 FGAARM Cc1cc(F)c(S(=O)(=O)N2CC3(CC3)c3ccccc32)cc1C(=O)[O-] ZINC000178956063 705682768 /nfs/dbraw/zinc/68/27/68/705682768.db2.gz WCQACDAOUFCKDT-UHFFFAOYSA-N -1 0 361.394 3.073 50 0 FGAARM CC(C)(C)OC(=O)Nc1c(I)cccc1C(=O)[O-] ZINC000725375176 722421112 /nfs/dbraw/zinc/42/11/12/722421112.db2.gz IVDIPBQNUSRILM-UHFFFAOYSA-N -1 0 363.151 3.336 50 0 FGAARM C[C@@H]1C[C@H](C)CN(C(=O)c2ccccc2NC(=O)CC(C)(C)C(=O)[O-])C1 ZINC000169987540 222593291 /nfs/dbraw/zinc/59/32/91/222593291.db2.gz GNYRRULWMLFZPA-OKILXGFUSA-N -1 0 360.454 3.244 50 0 FGAARM O=C([O-])c1cc(Sc2nnnn2-c2ccccc2)c2ccccc2c1O ZINC000000642106 210256563 /nfs/dbraw/zinc/25/65/63/210256563.db2.gz YZEOFAXWZCPBBR-UHFFFAOYSA-N -1 0 364.386 3.371 50 0 FGAARM CCOc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)cc1 ZINC000000629013 210253702 /nfs/dbraw/zinc/25/37/02/210253702.db2.gz IXGGBZXZSJGHON-INIZCTEOSA-N -1 0 371.414 3.208 50 0 FGAARM COc1ccccc1/C=C/C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000013185443 210141292 /nfs/dbraw/zinc/14/12/92/210141292.db2.gz INLJQISXQQESNL-VAWYXSNFSA-N -1 0 365.429 3.353 50 0 FGAARM CCc1nc2cc(C(=O)[O-])cc(NC(=O)c3ccccc3OC)c2n1C ZINC000299800781 210039304 /nfs/dbraw/zinc/03/93/04/210039304.db2.gz YLGYYFYQTPOLNB-UHFFFAOYSA-N -1 0 353.378 3.095 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccccc2)c(Cl)cc1Cl ZINC000001196900 219388927 /nfs/dbraw/zinc/38/89/27/219388927.db2.gz NLOHTPTUOBAQEO-UHFFFAOYSA-N -1 0 360.218 3.170 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCc2ccc(Br)cc2)C1 ZINC000238001455 222912757 /nfs/dbraw/zinc/91/27/57/222912757.db2.gz HDIANHBTLXKDTA-CQSZACIVSA-N -1 0 368.271 3.485 50 0 FGAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000004427262 219575256 /nfs/dbraw/zinc/57/52/56/219575256.db2.gz MZINCXWGEZWSFE-UHFFFAOYSA-N -1 0 358.781 3.158 50 0 FGAARM O=C([O-])[C@@H](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000013467072 220068155 /nfs/dbraw/zinc/06/81/55/220068155.db2.gz IQUYKVXHXJGIGM-AWEZNQCLSA-N -1 0 370.796 3.118 50 0 FGAARM Cc1nc(-c2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)n(C)c2)cs1 ZINC000299747881 211826194 /nfs/dbraw/zinc/82/61/94/211826194.db2.gz FMRCJAKBCJDTPR-NUTKFTJISA-N -1 0 373.478 3.315 50 0 FGAARM CN(Cc1ccc(Cl)s1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000045603142 211819971 /nfs/dbraw/zinc/81/99/71/211819971.db2.gz YNNWBBPSWSAVDD-UHFFFAOYSA-N -1 0 358.872 3.045 50 0 FGAARM CCOc1ccc(-n2[nH][n-]c3c(=O)n(-c4cc(C)cc(C)c4)c(=O)c2=3)cc1 ZINC000023125746 211378078 /nfs/dbraw/zinc/37/80/78/211378078.db2.gz BSTPQPCGVYXRTA-MSOLQXFVSA-N -1 0 364.405 3.200 50 0 FGAARM Cc1ccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)cc1C ZINC000019862990 211260578 /nfs/dbraw/zinc/26/05/78/211260578.db2.gz OBFNIXSSADUDTF-MRXNPFEDSA-N -1 0 355.415 3.426 50 0 FGAARM CC[C@@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1 ZINC000018153613 211191459 /nfs/dbraw/zinc/19/14/59/211191459.db2.gz HJGIUCIAOXIQDJ-ZDUSSCGKSA-N -1 0 367.474 3.146 50 0 FGAARM Cc1sc(NC(=O)CCC(=O)[O-])c(C(N)=O)c1-c1ccc(C)c(C)c1 ZINC000017074243 211177054 /nfs/dbraw/zinc/17/70/54/211177054.db2.gz FAGGGNBJYZHGDV-UHFFFAOYSA-N -1 0 360.435 3.243 50 0 FGAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 ZINC000015862004 211146804 /nfs/dbraw/zinc/14/68/04/211146804.db2.gz ZGHIKUMBYUZYEJ-UHFFFAOYSA-N 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CSCC[C@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC000012993169 211017324 /nfs/dbraw/zinc/01/73/24/211017324.db2.gz XMGFTLOXMIBKJC-GTNSWQLSSA-N -1 0 360.479 3.229 50 0 FGAARM COC(c1ccccc1)(c1ccccc1)[C@@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000009435020 210833711 /nfs/dbraw/zinc/83/37/11/210833711.db2.gz AIHUUIAJRNWVGQ-SFHVURJKSA-N -1 0 364.401 3.207 50 0 FGAARM CC(C)C[C@H](NC(=O)c1cccc2c1C(=O)N(c1ccccc1)C2)C(=O)[O-] ZINC000005321908 210614164 /nfs/dbraw/zinc/61/41/64/210614164.db2.gz OJXHTNPEHRZXAL-KRWDZBQOSA-N -1 0 366.417 3.076 50 0 FGAARM Cc1ccc(Br)c(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000003280964 210462481 /nfs/dbraw/zinc/46/24/81/210462481.db2.gz GTEHAGYIXPTFNJ-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM O=C([O-])c1cccc(NC(=O)CSc2nnc(-c3cccnc3)s2)c1 ZINC000002330647 210392341 /nfs/dbraw/zinc/39/23/41/210392341.db2.gz HLGRYCBEUMHXAV-UHFFFAOYSA-N -1 0 372.431 3.029 50 0 FGAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CC[C@H](CC)C2 ZINC000002095924 210379467 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FGAARM CCOc1ccccc1-n1[nH][n-]c2c(=O)n(-c3cc(C)cc(C)c3)c(=O)c1=2 ZINC000033114710 494045482 /nfs/dbraw/zinc/04/54/82/494045482.db2.gz UIGZSCNPMNRNLC-MSOLQXFVSA-N -1 0 364.405 3.200 50 0 FGAARM Cc1ccc(-c2nnc(CCC(=O)N3CCCCC3)c(=O)[n-]2)cc1Cl ZINC000034767779 494067645 /nfs/dbraw/zinc/06/76/45/494067645.db2.gz VWUCTDSJKXNOQW-UHFFFAOYSA-N -1 0 360.845 3.151 50 0 FGAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c1C ZINC000008105616 494068318 /nfs/dbraw/zinc/06/83/18/494068318.db2.gz YLMZJZRQFHLNIZ-UHFFFAOYSA-N -1 0 359.325 3.220 50 0 FGAARM CCOc1ccc(-c2ccnc(NC[C@@]3(C)CCCO3)n2)cc1C(=O)[O-] ZINC000077377191 494069780 /nfs/dbraw/zinc/06/97/80/494069780.db2.gz DBSIWEMPICVZBE-LJQANCHMSA-N -1 0 357.410 3.222 50 0 FGAARM Cc1nn(C)cc1-c1cc(C(=O)[O-])n2ncc(-c3ccc(Cl)cc3)c2n1 ZINC000036615743 494092677 /nfs/dbraw/zinc/09/26/77/494092677.db2.gz BZXAFJUFHIVHNW-UHFFFAOYSA-N -1 0 367.796 3.457 50 0 FGAARM Cc1c2c(cc(=O)n1Cc1cccs1)[n-]n(-c1ccc(F)cc1)c2=O ZINC000036575809 494092860 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CC(C)(C)OC(=O)NC[C@H](Cc1ccc(Br)cc1)C(=O)[O-] ZINC000012648475 494249036 /nfs/dbraw/zinc/24/90/36/494249036.db2.gz RWFDAYQTXHFBKT-NSHDSACASA-N -1 0 358.232 3.217 50 0 FGAARM Cc1noc(C)c1Cn1c2cc(C(=O)[O-])cnc2n(C2CCCCC2)c1=O ZINC000055226178 494316961 /nfs/dbraw/zinc/31/69/61/494316961.db2.gz QUISVPYKOLCJLS-UHFFFAOYSA-N -1 0 370.409 3.055 50 0 FGAARM O=C([O-])[C@@H]1CCC[C@H]1CC(=O)c1cccc(I)c1 ZINC000043879137 494327922 /nfs/dbraw/zinc/32/79/22/494327922.db2.gz UQCHWAXAZHUWKE-JOYOIKCWSA-N -1 0 358.175 3.365 50 0 FGAARM Cc1cc([C@H](C(=O)[O-])N2CCN(c3nc4ccccc4o3)CC2)ccc1F ZINC000055358175 494332551 /nfs/dbraw/zinc/33/25/51/494332551.db2.gz OBRHOOLHEOBUPV-GOSISDBHSA-N -1 0 369.396 3.223 50 0 FGAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)ccc1NC(C)=O ZINC000055616133 494373120 /nfs/dbraw/zinc/37/31/20/494373120.db2.gz LQDAIQCDTNHZQO-UHFFFAOYSA-N -1 0 360.844 3.169 50 0 FGAARM C[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1cccc(Cl)c1 ZINC000017908682 494419447 /nfs/dbraw/zinc/41/94/47/494419447.db2.gz FPZQTYQVYSVUCA-JTQLQIEISA-N -1 0 373.865 3.367 50 0 FGAARM COC(=O)C(C)(C)c1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1 ZINC000075146284 494698845 /nfs/dbraw/zinc/69/88/45/494698845.db2.gz KUDKTTKBZRYLDP-UHFFFAOYSA-N -1 0 353.465 3.308 50 0 FGAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)c(C)c2)o1 ZINC000075504916 494780426 /nfs/dbraw/zinc/78/04/26/494780426.db2.gz GEHZAORZJTYIHU-UHFFFAOYSA-N -1 0 360.439 3.408 50 0 FGAARM Cc1n[nH]c(CCC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095356682 494962762 /nfs/dbraw/zinc/96/27/62/494962762.db2.gz ZOCVPJCRIJFPOZ-KRWDZBQOSA-N -1 0 355.438 3.064 50 0 FGAARM COc1cccc(CN2CCN([C@@H](C(=O)[O-])c3cccc(C)c3F)CC2)c1 ZINC000095362065 494964701 /nfs/dbraw/zinc/96/47/01/494964701.db2.gz UOKJSAFQXBHBOR-HXUWFJFHSA-N -1 0 372.440 3.086 50 0 FGAARM Cc1n[nH]c(C)c1CCC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095368684 494966279 /nfs/dbraw/zinc/96/62/79/494966279.db2.gz ZFJDGQKOOAJOJC-KRWDZBQOSA-N -1 0 355.438 3.064 50 0 FGAARM O=C([O-])Cn1ccc2cc(NC(=O)c3ccc(-n4ccnc4)cc3)ccc21 ZINC000095463926 494976553 /nfs/dbraw/zinc/97/65/53/494976553.db2.gz YOVWVIRYVJNXJY-UHFFFAOYSA-N -1 0 360.373 3.164 50 0 FGAARM COC(=O)c1[n-]c(=NC(=O)c2cn(C(C)C)c3ccccc23)sc1C ZINC000095472793 494978906 /nfs/dbraw/zinc/97/89/06/494978906.db2.gz SGAVGGPRMKHRLO-UHFFFAOYSA-N -1 0 357.435 3.448 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000095481467 494980451 /nfs/dbraw/zinc/98/04/51/494980451.db2.gz DQYHXUUQGUBBEX-IRXDYDNUSA-N -1 0 370.359 3.075 50 0 FGAARM Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@H](C(=O)[O-])c3cccnc3)c2c1 ZINC000095525162 494987632 /nfs/dbraw/zinc/98/76/32/494987632.db2.gz GCHSFXLCSDZOLE-IBGZPJMESA-N -1 0 363.417 3.453 50 0 FGAARM Cc1ccc(-c2nnc(CCC(=O)NCCCCCCC(=O)[O-])o2)cc1 ZINC000095970453 494993093 /nfs/dbraw/zinc/99/30/93/494993093.db2.gz FPNYSCSMIYWDEA-UHFFFAOYSA-N -1 0 359.426 3.129 50 0 FGAARM O=S(=O)([N-]c1cnc(Cl)cn1)c1ccc(F)c(C(F)(F)F)c1 ZINC000170609184 495533656 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FGAARM COc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237316819 497219458 /nfs/dbraw/zinc/21/94/58/497219458.db2.gz ZKPWEVZMAVWZRV-UONOGXRCSA-N -1 0 361.344 3.092 50 0 FGAARM COc1ccc(-c2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)c(F)c2)c(F)c1 ZINC000237415234 497232777 /nfs/dbraw/zinc/23/27/77/497232777.db2.gz LCYXGGKHGRLLAX-LBPRGKRZSA-N -1 0 361.344 3.187 50 0 FGAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237565674 497255720 /nfs/dbraw/zinc/25/57/20/497255720.db2.gz DOEBEHMQXAQKOW-AWEZNQCLSA-N -1 0 364.323 3.061 50 0 FGAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(OC(F)(F)F)cc1 ZINC000237598542 497260971 /nfs/dbraw/zinc/26/09/71/497260971.db2.gz ONDMCMOHUWMYFJ-VIFPVBQESA-N -1 0 354.284 3.169 50 0 FGAARM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237652363 497269836 /nfs/dbraw/zinc/26/98/36/497269836.db2.gz UUFBKOYTBFNJLJ-GOSISDBHSA-N -1 0 362.426 3.118 50 0 FGAARM Cc1nn(Cc2ccccc2)c(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000252506342 497308741 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C[C@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000262748908 497614100 /nfs/dbraw/zinc/61/41/00/497614100.db2.gz BKRXMIOGKPXSAX-SCLBCKFNSA-N -1 0 357.381 3.055 50 0 FGAARM Cc1ccccc1SCC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000262934246 497659945 /nfs/dbraw/zinc/65/99/45/497659945.db2.gz PFHIZEFOMLQBRJ-SJORKVTESA-N -1 0 355.459 3.414 50 0 FGAARM O=C([O-])COc1cccc(C(=O)N2CCc3sc(Cl)cc3C2)c1 ZINC000565717987 504967154 /nfs/dbraw/zinc/96/71/54/504967154.db2.gz BTWGQXRGHAJJMK-UHFFFAOYSA-N -1 0 351.811 3.063 50 0 FGAARM CCc1oc2ccccc2c1/C=C\C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000606442130 507406641 /nfs/dbraw/zinc/40/66/41/507406641.db2.gz WFMFDEADKUTYOZ-FPLPWBNLSA-N -1 0 371.433 3.491 50 0 FGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000020574891 521384821 /nfs/dbraw/zinc/38/48/21/521384821.db2.gz WAMOIUFNPZCSNA-UHFFFAOYSA-N -1 0 350.440 3.226 50 0 FGAARM COc1cc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)ccc1OCCC(C)C ZINC000020737917 522956555 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FGAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095359311 494963815 /nfs/dbraw/zinc/96/38/15/494963815.db2.gz SEOMCWVHNUSYED-GOSISDBHSA-N -1 0 369.465 3.074 50 0 FGAARM CCc1sc(C(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1C ZINC000095389848 494972780 /nfs/dbraw/zinc/97/27/80/494972780.db2.gz YYZWFUDKEOGNGO-UHFFFAOYSA-N -1 0 360.435 3.076 50 0 FGAARM O=C([O-])[C@@H](Cc1ccnc2ccccc12)NC(=O)OCc1ccccc1 ZINC000095635205 494989922 /nfs/dbraw/zinc/98/99/22/494989922.db2.gz KNXITQQCUDFNSZ-GOSISDBHSA-N -1 0 350.374 3.157 50 0 FGAARM CCc1c([O-])nc(SCc2ncc(C)o2)n(-c2cccc(OC)c2)c1=O ZINC000095961411 494992180 /nfs/dbraw/zinc/99/21/80/494992180.db2.gz HMJWMKMNUMHLSR-UHFFFAOYSA-N -1 0 373.434 3.098 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2S(C)(=O)=O)cc1C ZINC000095995697 494994341 /nfs/dbraw/zinc/99/43/41/494994341.db2.gz SYXFYMPYZZNGIZ-UHFFFAOYSA-N -1 0 373.883 3.161 50 0 FGAARM COCCN(Cc1ccsc1)C(=O)C[C@H](CC(=O)[O-])c1cccs1 ZINC000096024615 494996320 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LCYXGGKHGRLLAX-GFCCVEGCSA-N -1 0 361.344 3.187 50 0 FGAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237565722 497255801 /nfs/dbraw/zinc/25/58/01/497255801.db2.gz FBOMUMWQBXRJDU-WXHSDQCUSA-N -1 0 356.344 3.267 50 0 FGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3cccc(Cl)c3)n2)C1 ZINC000237663117 497271523 /nfs/dbraw/zinc/27/15/23/497271523.db2.gz KZFVEONHDXDYMC-MRXNPFEDSA-N -1 0 350.827 3.400 50 0 FGAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccc(Cl)s3)n2)CC1 ZINC000238024078 497329326 /nfs/dbraw/zinc/32/93/26/497329326.db2.gz MMYWLZQPFOGMKG-UHFFFAOYSA-N -1 0 370.883 3.391 50 0 FGAARM CCCc1cc(=O)n2[n-]c(COC)c(-c3ccc(OC)c(OC)c3)c2n1 ZINC000253496268 497336301 /nfs/dbraw/zinc/33/63/01/497336301.db2.gz XITVDCMMFIIZPW-UHFFFAOYSA-N -1 0 357.410 3.218 50 0 FGAARM O=C([O-])CN(C(=O)/C=C/c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238106684 497340734 /nfs/dbraw/zinc/34/07/34/497340734.db2.gz OEINXOMGYAQMEH-SNAWJCMRSA-N -1 0 358.221 3.099 50 0 FGAARM 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C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCc1ccc(Cl)cc1)c3[O-] ZINC000170624680 222608560 /nfs/dbraw/zinc/60/85/60/222608560.db2.gz ORFVWDHZNNQEQC-LLVKDONJSA-N -1 0 368.820 3.408 50 0 FGAARM Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)(C)C)cc2)c1C ZINC000000636854 210255363 /nfs/dbraw/zinc/25/53/63/210255363.db2.gz PDVMMTRBALWIKG-UHFFFAOYSA-N -1 0 351.428 3.077 50 0 FGAARM Cc1oc2cc(OCC(=O)[O-])ccc2c(=O)c1-c1ccc2c(c1)OCCO2 ZINC000004025749 210229406 /nfs/dbraw/zinc/22/94/06/210229406.db2.gz HHMUKCKXPQDWTK-UHFFFAOYSA-N -1 0 368.341 3.003 50 0 FGAARM O=C([N-]S(=O)(=O)c1ccc(F)cc1)Nc1ncc(-c2ccco2)s1 ZINC000001414988 210076405 /nfs/dbraw/zinc/07/64/05/210076405.db2.gz FYOFPQLFGHTJBE-UHFFFAOYSA-N -1 0 367.383 3.053 50 0 FGAARM O=C1[N-]N(c2ccc(Br)cc2)C(=O)/C1=C/c1ccc(F)cc1 ZINC000000666658 219311506 /nfs/dbraw/zinc/31/15/06/219311506.db2.gz UXTQDDPMWCKPPN-NTEUORMPSA-N -1 0 361.170 3.050 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 ZINC000000794626 219321845 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Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000095969496 221983063 /nfs/dbraw/zinc/98/30/63/221983063.db2.gz GTRRSTNSBQEUHT-INIZCTEOSA-N -1 0 351.402 3.163 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc[nH]n3)oc2C)cc1Cl ZINC000096386723 222118853 /nfs/dbraw/zinc/11/88/53/222118853.db2.gz KMEPCQTXEQQEEH-UHFFFAOYSA-N -1 0 367.814 3.441 50 0 FGAARM CCOc1ccc(NC(=O)c2c([O-])c3ccccc3n(CC)c2=O)cc1 ZINC000100329709 222241471 /nfs/dbraw/zinc/24/14/71/222241471.db2.gz LVEDYZMOSYZYRA-UHFFFAOYSA-N -1 0 352.390 3.378 50 0 FGAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)Nc2ccc3c(c2)CCC3)C1=O ZINC000100489591 222245377 /nfs/dbraw/zinc/24/53/77/222245377.db2.gz GQBWTQVUMSIWCY-WUKNDPDISA-N -1 0 355.438 3.130 50 0 FGAARM O=C(NCc1ccccc1Cl)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613658 222247885 /nfs/dbraw/zinc/24/78/85/222247885.db2.gz YSIJLKRJJGLATP-UHFFFAOYSA-N -1 0 368.820 3.237 50 0 FGAARM Cn1c(=O)c(C(=O)Nc2nc3ccc(F)cc3s2)c([O-])c2ccccc21 ZINC000100658447 222248662 /nfs/dbraw/zinc/24/86/62/222248662.db2.gz WVFDUXPGVBZCFR-UHFFFAOYSA-N -1 0 369.377 3.245 50 0 FGAARM COc1ccc(O[C@H](C)C(=O)c2c(C)[n-]n(Cc3ccccc3)c2=O)cc1 ZINC000103614534 222339815 /nfs/dbraw/zinc/33/98/15/222339815.db2.gz UQFLXPFQLXCPRP-DNVCBOLYSA-N -1 0 366.417 3.066 50 0 FGAARM O=C1[C@@H]2ON=C(c3ccccc3Cl)[C@@H]2C(=O)N1c1cccc(Cl)c1 ZINC000101359438 222271026 /nfs/dbraw/zinc/27/10/26/222271026.db2.gz GCUJBDOUFYAOAK-DZGCQCFKSA-N -1 0 361.184 3.286 50 0 FGAARM CSc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101417476 222273922 /nfs/dbraw/zinc/27/39/22/222273922.db2.gz UXAADHYZFGRGBX-SJORKVTESA-N -1 0 366.446 3.210 50 0 FGAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3Cl)c(=O)c1=2 ZINC000101418555 222274236 /nfs/dbraw/zinc/27/42/36/222274236.db2.gz KXUQGPUUMUTIGK-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101417255 222274709 /nfs/dbraw/zinc/27/47/09/222274709.db2.gz AOQZRHGGDXHOPS-CABCVRRESA-N -1 0 374.322 3.199 50 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NAMGOFSARPQEHD-UHFFFAOYSA-N -1 0 358.419 3.300 50 0 FGAARM CC1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000058174835 493830316 /nfs/dbraw/zinc/83/03/16/493830316.db2.gz CEGNRCGTELRSSE-MSOLQXFVSA-N -1 0 370.449 3.164 50 0 FGAARM CCCNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000058174820 493830493 /nfs/dbraw/zinc/83/04/93/493830493.db2.gz JLQUFYANUDMWNS-STQMWFEESA-N -1 0 364.829 3.085 50 0 FGAARM O=C([O-])c1ccccc1OCC(=O)Nc1ccc(Br)cc1 ZINC000003259196 493835204 /nfs/dbraw/zinc/83/52/04/493835204.db2.gz UHXGTJXEYLLGAC-UHFFFAOYSA-N -1 0 350.168 3.165 50 0 FGAARM COc1cc(/C=C/C(=O)[O-])c(Br)c(OC)c1Br ZINC000048534058 493835514 /nfs/dbraw/zinc/83/55/14/493835514.db2.gz MEKJGKGRKWEEOR-ONEGZZNKSA-N -1 0 366.005 3.327 50 0 FGAARM CC(C)c1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c1 ZINC000029437138 493839328 /nfs/dbraw/zinc/83/93/28/493839328.db2.gz YFHYCFVXJZFYKF-UHFFFAOYSA-N -1 0 361.467 3.175 50 0 FGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2)cc1 ZINC000003624669 493856570 /nfs/dbraw/zinc/85/65/70/493856570.db2.gz HCZGESHLUVMQCS-SFHVURJKSA-N -1 0 357.406 3.186 50 0 FGAARM COc1cc(OC)cc(C(=O)N[C@H](C(=O)[O-])C23CC4CC(CC(C4)C2)C3)c1 ZINC000003898140 493859436 /nfs/dbraw/zinc/85/94/36/493859436.db2.gz LMDHNGLLHXJIKJ-IWGLNFRWSA-N -1 0 373.449 3.103 50 0 FGAARM O=C(NCc1cccc(C(F)(F)F)c1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409576 493873374 /nfs/dbraw/zinc/87/33/74/493873374.db2.gz WNHSSXBTNJHTIA-UHFFFAOYSA-N -1 0 368.336 3.244 50 0 FGAARM COc1cc(OC)cc(-c2cc3nc(C)c(CCC(=O)[O-])c(C)n3n2)c1 ZINC000004992136 493905618 /nfs/dbraw/zinc/90/56/18/493905618.db2.gz KGISTBTWGCVWQU-UHFFFAOYSA-N -1 0 355.394 3.048 50 0 FGAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005953047 493946655 /nfs/dbraw/zinc/94/66/55/493946655.db2.gz DGZXNXCAKMCXGV-NEPJUHHUSA-N -1 0 351.424 3.147 50 0 FGAARM CC/C=C/C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000005977458 493947732 /nfs/dbraw/zinc/94/77/32/493947732.db2.gz OFPLGKUICBQJOS-NFRSEMAFSA-N -1 0 352.471 3.251 50 0 FGAARM Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(=O)[O-])c3)o2)c1 ZINC000006234451 493955421 /nfs/dbraw/zinc/95/54/21/493955421.db2.gz CFXCOBMPVJPRPI-UHFFFAOYSA-N -1 0 369.402 3.474 50 0 FGAARM O=C(CCc1ccc(-c2ccccc2F)o1)/N=c1\[n-]nc2ccccn21 ZINC000031738431 493958235 /nfs/dbraw/zinc/95/82/35/493958235.db2.gz LLFRIUDZECAIMQ-UHFFFAOYSA-N -1 0 350.353 3.122 50 0 FGAARM O=C(COc1ccc(Cl)cc1)NCc1n[n-]c(=S)n1-c1ccccc1 ZINC000006423222 493963071 /nfs/dbraw/zinc/96/30/71/493963071.db2.gz QNWMFRNDHDMJFO-UHFFFAOYSA-N -1 0 374.853 3.278 50 0 FGAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007051193 493996685 /nfs/dbraw/zinc/99/66/85/493996685.db2.gz FKQZHRJNAGPXLI-UHFFFAOYSA-N -1 0 354.815 3.108 50 0 FGAARM O=C([O-])c1ccnc(-c2ccnc(NCc3ccc4c(c3)CCCO4)n2)c1 ZINC000077377476 494069932 /nfs/dbraw/zinc/06/99/32/494069932.db2.gz KAOKZPTZSVIMKO-UHFFFAOYSA-N -1 0 362.389 3.174 50 0 FGAARM COc1ccc(C)cc1[N-]S(=O)(=O)c1cccc(-c2noc(C)n2)c1 ZINC000035556792 494079758 /nfs/dbraw/zinc/07/97/58/494079758.db2.gz VGDPBWRTDISKSX-UHFFFAOYSA-N -1 0 359.407 3.163 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(-c2noc(C)n2)ccc1C ZINC000035556906 494079968 /nfs/dbraw/zinc/07/99/68/494079968.db2.gz BKKZGJBNHFKCKZ-UHFFFAOYSA-N -1 0 359.407 3.163 50 0 FGAARM Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)s2)no1 ZINC000035539084 494080332 /nfs/dbraw/zinc/08/03/32/494080332.db2.gz DSVDLEWFAPCVTJ-UHFFFAOYSA-N -1 0 353.400 3.355 50 0 FGAARM CCOc1cc(/C=C/c2cc(C(=O)[O-])ncn2)cc(Br)c1O ZINC000084804945 494098414 /nfs/dbraw/zinc/09/84/14/494098414.db2.gz PHQQGIUSXXKKBY-ONEGZZNKSA-N -1 0 365.183 3.212 50 0 FGAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000040268814 494139591 /nfs/dbraw/zinc/13/95/91/494139591.db2.gz FAGFCSSAWHYIMM-ZDUSSCGKSA-N -1 0 350.415 3.487 50 0 FGAARM C[C@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1cn2ccsc2n1 ZINC000072409604 494166872 /nfs/dbraw/zinc/16/68/72/494166872.db2.gz RHBCAWQQLJHLHK-JTQLQIEISA-N -1 0 366.406 3.119 50 0 FGAARM O=C([N-]c1nnc(SC/C=C/c2ccccc2)s1)c1csnn1 ZINC000011914433 494197329 /nfs/dbraw/zinc/19/73/29/494197329.db2.gz MUCFQSSQHQPJSS-QPJJXVBHSA-N -1 0 361.477 3.447 50 0 FGAARM O=S(=O)([N-]c1cnn(C[C@H]2CCCO2)c1)c1ccc2ccccc2c1 ZINC000042714889 494238944 /nfs/dbraw/zinc/23/89/44/494238944.db2.gz PEXPNOIWEQOUQD-QGZVFWFLSA-N -1 0 357.435 3.016 50 0 FGAARM O=C(Nc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000012741593 494253212 /nfs/dbraw/zinc/25/32/12/494253212.db2.gz VLJYAEKIKFCRKJ-UHFFFAOYSA-N -1 0 371.393 3.274 50 0 FGAARM NC(=O)c1cccc(Cc2nc(=O)c3sc(-c4ccccc4)cc3[n-]2)c1 ZINC000054753816 494266714 /nfs/dbraw/zinc/26/67/14/494266714.db2.gz CRXXEQLTDYATLW-UHFFFAOYSA-N -1 0 361.426 3.341 50 0 FGAARM Cc1cc(C)c(S(=O)(=O)N(C)c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000078466599 494301044 /nfs/dbraw/zinc/30/10/44/494301044.db2.gz VTCYLZOSQWYQLT-UHFFFAOYSA-N -1 0 355.362 3.105 50 0 FGAARM CC(C)(C)OC(=O)N[C@](C)(Cc1ccc(Br)cc1)C(=O)[O-] ZINC000091252336 494573656 /nfs/dbraw/zinc/57/36/56/494573656.db2.gz SWYWAMZOHWXACO-OAHLLOKOSA-N -1 0 358.232 3.360 50 0 FGAARM CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccc([O-])c(Cl)c1 ZINC000024191368 494611514 /nfs/dbraw/zinc/61/15/14/494611514.db2.gz XCDAUADCHQVTTM-UHFFFAOYSA-N -1 0 360.841 3.154 50 0 FGAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000091595544 494622750 /nfs/dbraw/zinc/62/27/50/494622750.db2.gz WHCKYBNCSTYBIL-KRWDZBQOSA-N -1 0 357.809 3.213 50 0 FGAARM CCOc1ccccc1C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000091998125 494747582 /nfs/dbraw/zinc/74/75/82/494747582.db2.gz DFIDLLGRWPRYGR-DLBZAZTESA-N -1 0 357.381 3.165 50 0 FGAARM CCc1ccccc1[N-]S(=O)(=O)c1c(C)[nH]c(-c2nnc(C)o2)c1C ZINC000075504764 494779634 /nfs/dbraw/zinc/77/96/34/494779634.db2.gz JLDZJPSHQPEAGQ-UHFFFAOYSA-N -1 0 360.439 3.353 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(-c2cc(C)[nH]n2)oc1C ZINC000075519137 494784126 /nfs/dbraw/zinc/78/41/26/494784126.db2.gz IFKUAUFZQWQQIC-UHFFFAOYSA-N -1 0 361.423 3.486 50 0 FGAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1c[nH]nc1-c1ccc(F)cc1 ZINC000095349944 494960319 /nfs/dbraw/zinc/96/03/19/494960319.db2.gz HFHJRXACHNAAEW-UHFFFAOYSA-N -1 0 353.353 3.186 50 0 FGAARM Cc1cccc(CN2CCN([C@@H](C(=O)[O-])c3cccc(C)c3C)CC2=O)c1 ZINC000095366321 494965754 /nfs/dbraw/zinc/96/57/54/494965754.db2.gz DABCTBUVPNODOU-OAQYLSRUSA-N -1 0 366.461 3.082 50 0 FGAARM CCn1ncc(C(=O)Nc2ccc(CCC(=O)[O-])cc2)c1C(F)(F)F ZINC000095425530 494974822 /nfs/dbraw/zinc/97/48/22/494974822.db2.gz XBFTVLDMUNRJCN-UHFFFAOYSA-N -1 0 355.316 3.191 50 0 FGAARM O=C([O-])C[C@@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1 ZINC000095521206 494986785 /nfs/dbraw/zinc/98/67/85/494986785.db2.gz JOIJDKJOMYADBB-QGZVFWFLSA-N -1 0 367.380 3.021 50 0 FGAARM O=C([O-])CC1(NC(=O)CCc2ncc(-c3ccccc3Cl)o2)CCC1 ZINC000095970273 494993294 /nfs/dbraw/zinc/99/32/94/494993294.db2.gz ZCOANQSLDVLPIB-UHFFFAOYSA-N -1 0 362.813 3.441 50 0 FGAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1cccc2ccccc21 ZINC000096123410 495002907 /nfs/dbraw/zinc/00/29/07/495002907.db2.gz INNUEZUSEUOABL-UHFFFAOYSA-N -1 0 357.435 3.189 50 0 FGAARM O=C([O-])COc1ccc(-c2cccs2)cc1CN1CCc2n[nH]cc2C1 ZINC000097528006 495037763 /nfs/dbraw/zinc/03/77/63/495037763.db2.gz SRPFTKAXBQJFHG-UHFFFAOYSA-N -1 0 369.446 3.160 50 0 FGAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ccnn1C(C)C ZINC000128889046 495164108 /nfs/dbraw/zinc/16/41/08/495164108.db2.gz NNXNZLYJIAFOGA-UHFFFAOYSA-N -1 0 358.261 3.336 50 0 FGAARM Cc1cc(C)c2nc(C3CC3)cc(C(=O)N(C)C[C@H](C)c3nnn[n-]3)c2c1 ZINC000124686083 495327993 /nfs/dbraw/zinc/32/79/93/495327993.db2.gz ITBLXNRBYMYRAB-ZDUSSCGKSA-N -1 0 364.453 3.118 50 0 FGAARM COc1ccc(CNCc2ccc(C(=O)[O-])cc2)c(Br)c1O ZINC000170612876 495534442 /nfs/dbraw/zinc/53/44/42/495534442.db2.gz CEATWTYDEVAGTB-UHFFFAOYSA-N -1 0 366.211 3.151 50 0 FGAARM CC(C)(C)[C@H](NC(=O)c1cc2c(cc(Br)cc2F)[nH]1)C(=O)[O-] ZINC000170671803 495556195 /nfs/dbraw/zinc/55/61/95/495556195.db2.gz AZXPKEGNUITEDB-GFCCVEGCSA-N -1 0 371.206 3.299 50 0 FGAARM CC(C)C[C@H](NC(=O)c1cc(=O)n(-c2ccccc2)[n-]1)c1cccnc1 ZINC000223679951 497040583 /nfs/dbraw/zinc/04/05/83/497040583.db2.gz DUTVERHNBWHJJV-KRWDZBQOSA-N -1 0 350.422 3.078 50 0 FGAARM O=C([O-])CN(CCc1ccccc1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC000225486993 497065145 /nfs/dbraw/zinc/06/51/45/497065145.db2.gz ASEPOBNDVBMNBH-UHFFFAOYSA-N -1 0 364.348 3.449 50 0 FGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H](OC1CCCC1)c1ccccc1 ZINC000225481910 497065367 /nfs/dbraw/zinc/06/53/67/497065367.db2.gz VTJOJUCWWBUDHA-WOJBJXKFSA-N -1 0 367.445 3.499 50 0 FGAARM O=S(=O)([N-]C[C@@H](O)c1csc2ccccc21)c1c(F)cccc1F ZINC000225695791 497071487 /nfs/dbraw/zinc/07/14/87/497071487.db2.gz QWMIWCHAKQYBQC-CQSZACIVSA-N -1 0 369.414 3.191 50 0 FGAARM Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])cc2)n1 ZINC000237660140 497270981 /nfs/dbraw/zinc/27/09/81/497270981.db2.gz RSADLWFRFMKESD-LJQANCHMSA-N -1 0 369.465 3.408 50 0 FGAARM Cn1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc2cc(C(F)(F)F)ccc21 ZINC000237712024 497280027 /nfs/dbraw/zinc/28/00/27/497280027.db2.gz AGLYNQPPUALJFO-SNVBAGLBSA-N -1 0 354.328 3.134 50 0 FGAARM C[C@H](Oc1cccc(C(=O)/C=C/c2c(Cl)nc(Cl)n2C)c1)C(=O)[O-] ZINC000253417043 497332836 /nfs/dbraw/zinc/33/28/36/497332836.db2.gz HPWNWFNJDPYCFL-UCUJLANTSA-N -1 0 369.204 3.475 50 0 FGAARM O=C([O-])CCN(C(=O)[C@H]1C[C@H]1c1c(F)cccc1Cl)C1CCOCC1 ZINC000238070063 497336425 /nfs/dbraw/zinc/33/64/25/497336425.db2.gz MCIMZKLZDSNGNL-OLZOCXBDSA-N -1 0 369.820 3.065 50 0 FGAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)C1CCOCC1 ZINC000238103838 497339773 /nfs/dbraw/zinc/33/97/73/497339773.db2.gz NTLPALDMPIQWEF-LSDHHAIUSA-N -1 0 372.248 3.189 50 0 FGAARM Cc1nnc(NN=Cc2sc(Nc3ccccc3)nc2Cl)[n-]c1=O ZINC000254741423 497350333 /nfs/dbraw/zinc/35/03/33/497350333.db2.gz QYXDQZMDXOZODO-UHFFFAOYSA-N -1 0 361.818 3.185 50 0 FGAARM COc1ccc(-c2cncc(C(=O)N3C[C@@H]4CCC[C@H]4[C@@H]3C(=O)[O-])c2)cc1 ZINC000262795460 497622709 /nfs/dbraw/zinc/62/27/09/497622709.db2.gz AAUWLQZJLUJXTK-GDIGMMSISA-N -1 0 366.417 3.083 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CCOC(=O)N1CCC(Nc2nc(-c3ccc(O)cc3O)cs2)CC1 ZINC000047282957 570884392 /nfs/dbraw/zinc/88/43/92/570884392.db2.gz VPKUDVHOLAOSKQ-UHFFFAOYSA-N -1 0 363.439 3.254 50 0 FGAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 ZINC000192982581 602231191 /nfs/dbraw/zinc/23/11/91/602231191.db2.gz ZLGWCEMSGLNEJT-STQMWFEESA-N -1 0 372.248 3.222 50 0 FGAARM O=C([O-])c1ccc(CNc2nc3ccc(Cl)cc3n3cnnc23)cc1 ZINC000006752049 695560267 /nfs/dbraw/zinc/56/02/67/695560267.db2.gz HKVGVULAANJRAQ-UHFFFAOYSA-N -1 0 353.769 3.241 50 0 FGAARM CC(C)n1ncc2cc(C(=O)N[C@H](CC(=O)[O-])c3cccs3)cnc21 ZINC000648047719 718396269 /nfs/dbraw/zinc/39/62/69/718396269.db2.gz ANKZLZWXQSVKGL-CYBMUJFWSA-N -1 0 358.423 3.020 50 0 FGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1cccc(Br)c1 ZINC000000687808 210262654 /nfs/dbraw/zinc/26/26/54/210262654.db2.gz NYTHGNSKTUISOF-UHFFFAOYSA-N -1 0 369.240 3.073 50 0 FGAARM CCOC(=O)c1oc2cc([O-])ccc2c(=O)c1-c1ccc(OC)c(OC)c1 ZINC000005835248 210231733 /nfs/dbraw/zinc/23/17/33/210231733.db2.gz VUTWEDFJWKGVHP-UHFFFAOYSA-N -1 0 370.357 3.360 50 0 FGAARM COc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000013170574 210141650 /nfs/dbraw/zinc/14/16/50/210141650.db2.gz ZJUUMKRCTZKCNH-QGZVFWFLSA-N -1 0 369.417 3.211 50 0 FGAARM CCn1c(-c2cccc(OC)c2)nc2cc(NC(C)=O)cc(C(=O)[O-])c21 ZINC000299780080 210024867 /nfs/dbraw/zinc/02/48/67/210024867.db2.gz OZJZBUNOWDKNSK-UHFFFAOYSA-N -1 0 353.378 3.388 50 0 FGAARM O=C([O-])c1ccc(CS(=O)(=O)c2ccc(Br)cc2)cc1 ZINC000001196056 219387019 /nfs/dbraw/zinc/38/70/19/219387019.db2.gz DPINZJATFCJCJU-UHFFFAOYSA-N -1 0 355.209 3.121 50 0 FGAARM COc1ccc(CNC(=O)c2cccc(-n3cccc3)c2)cc1C(=O)[O-] ZINC000225443086 222841470 /nfs/dbraw/zinc/84/14/70/222841470.db2.gz NXHHRAJQWKMTSB-UHFFFAOYSA-N -1 0 350.374 3.114 50 0 FGAARM COc1ccc(Cc2nnc(SCC(=O)[O-])n2-c2ccccc2)cc1 ZINC000002524134 219449180 /nfs/dbraw/zinc/44/91/80/219449180.db2.gz VXXHXWAMJMCSBK-UHFFFAOYSA-N -1 0 355.419 3.043 50 0 FGAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236827953 222904100 /nfs/dbraw/zinc/90/41/00/222904100.db2.gz XMJSGDAOXWSYSN-QFBILLFUSA-N -1 0 370.449 3.054 50 0 FGAARM COCc1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)sc2cccc(F)c21 ZINC000237184199 222905386 /nfs/dbraw/zinc/90/53/86/222905386.db2.gz MBSMKONFWFXBBL-JTQLQIEISA-N -1 0 351.399 3.124 50 0 FGAARM O=C([O-])c1cccc(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)c1 ZINC000238213826 222915287 /nfs/dbraw/zinc/91/52/87/222915287.db2.gz KAPHATNUBVTATE-UHFFFAOYSA-N -1 0 373.836 3.403 50 0 FGAARM C[C@H](Oc1ccccc1)C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000237671096 222909780 /nfs/dbraw/zinc/90/97/80/222909780.db2.gz BRQXCXFQSHXSJR-ZDUSSCGKSA-N -1 0 363.360 3.236 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)CSc2ccc3ccccc3n2)cc1 ZINC000011907494 219941449 /nfs/dbraw/zinc/94/14/49/219941449.db2.gz UWGCUAAPIXWHCR-UHFFFAOYSA-N -1 0 372.471 3.140 50 0 FGAARM COc1ccc(-c2c(C)nn(-c3ccc(C(=O)[O-])cc3)c2N)cc1OC ZINC000059227537 212015000 /nfs/dbraw/zinc/01/50/00/212015000.db2.gz PCNFDSGKSGPCDA-UHFFFAOYSA-N -1 0 353.378 3.145 50 0 FGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)cc1F ZINC000013260076 220062370 /nfs/dbraw/zinc/06/23/70/220062370.db2.gz KYKGGQCLEVTVRU-INIZCTEOSA-N -1 0 360.772 3.386 50 0 FGAARM Cc1oc(CN(C)C(=O)CCc2ccc3c(c2)OCCCO3)cc1C(=O)[O-] ZINC000299752033 211835030 /nfs/dbraw/zinc/83/50/30/211835030.db2.gz SLSFDIQWBKCYPG-UHFFFAOYSA-N -1 0 373.405 3.039 50 0 FGAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(-c2ccc(Cl)cc2)cc1 ZINC000036293916 211660896 /nfs/dbraw/zinc/66/08/96/211660896.db2.gz UIAMBBXQRCGVGG-MRXNPFEDSA-N -1 0 365.838 3.245 50 0 FGAARM O=C([O-])/C=C\C(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccccc2)c1 ZINC000032636322 211554038 /nfs/dbraw/zinc/55/40/38/211554038.db2.gz ORTJPPGTMDZQLP-HJWRWDBZSA-N -1 0 358.781 3.101 50 0 FGAARM O=C([O-])C1(CC(=O)Nc2cccc(C(=O)N3CCCC3)c2)CCCCC1 ZINC000028901231 211501081 /nfs/dbraw/zinc/50/10/81/211501081.db2.gz UPMLBMYKLLDHEF-UHFFFAOYSA-N -1 0 358.438 3.286 50 0 FGAARM Cc1cc(C)nc([N-]c2noc(CSCC(=O)Nc3ccccc3)n2)n1 ZINC000020799626 211297352 /nfs/dbraw/zinc/29/73/52/211297352.db2.gz QTONTXAMISHFIS-UHFFFAOYSA-N -1 0 370.438 3.092 50 0 FGAARM CC(C)Oc1ccc([C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000019913247 211261574 /nfs/dbraw/zinc/26/15/74/211261574.db2.gz SHIPWNKUAXXYKK-QGZVFWFLSA-N -1 0 353.374 3.219 50 0 FGAARM O=C([O-])COc1ccc(Br)cc1C=C1SC(=S)NC1=O ZINC000015018468 211114690 /nfs/dbraw/zinc/11/46/90/211114690.db2.gz DLFDYILIIUKQQR-WTKPLQERSA-N -1 0 374.237 3.242 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000014255908 211089584 /nfs/dbraw/zinc/08/95/84/211089584.db2.gz PFNZDUYDUGSDDU-UHFFFAOYSA-N -1 0 357.435 3.299 50 0 FGAARM COc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccccc1C(=O)[O-] ZINC000012990904 211015279 /nfs/dbraw/zinc/01/52/79/211015279.db2.gz UDYZTPVEZATTGK-UHFFFAOYSA-N -1 0 373.430 3.468 50 0 FGAARM O=C([O-])c1ccc(/C=C2\N=C(c3ccc(OC(F)F)cc3)OC2=O)cc1 ZINC000012895413 211003518 /nfs/dbraw/zinc/00/35/18/211003518.db2.gz AUKDOHVUNUJHOK-ZROIWOOFSA-N -1 0 359.284 3.331 50 0 FGAARM COC(=O)c1[nH]c2ccccc2c1[N-]S(=O)(=O)c1ccc(F)c(C)c1 ZINC000002338554 210391327 /nfs/dbraw/zinc/39/13/27/210391327.db2.gz LCKZFYYISDAOBZ-UHFFFAOYSA-N -1 0 362.382 3.203 50 0 FGAARM O=C([O-])Cn1c2ccccc2c2cc(I)ccc21 ZINC000002289978 210388297 /nfs/dbraw/zinc/38/82/97/210388297.db2.gz NWXXLBMKXNCZMP-UHFFFAOYSA-N -1 0 351.143 3.484 50 0 FGAARM COc1ccc(-c2csc3ncnc(NCCC(=O)[O-])c23)cc1OC ZINC000020313940 220320348 /nfs/dbraw/zinc/32/03/48/220320348.db2.gz WKFURNNPXVDUSA-UHFFFAOYSA-N -1 0 359.407 3.262 50 0 FGAARM O=C([O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1cccc2ccccc21 ZINC000001126875 210320791 /nfs/dbraw/zinc/32/07/91/210320791.db2.gz KNMFGSHYSMQQJX-LICLKQGHSA-N -1 0 361.353 3.424 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(Br)c2)c1 ZINC000001040873 210305783 /nfs/dbraw/zinc/30/57/83/210305783.db2.gz WSFFGECWYPSZAR-UHFFFAOYSA-N -1 0 372.240 3.267 50 0 FGAARM COc1cccc(C[C@H](C(=O)Nc2ccc(C(C)C)cc2)c2nnn[n-]2)c1 ZINC000000931677 210290411 /nfs/dbraw/zinc/29/04/11/210290411.db2.gz DXBKSBXIHCJUSL-SFHVURJKSA-N -1 0 365.437 3.297 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3cccc(Br)c3o2)C1 ZINC000048787372 221014470 /nfs/dbraw/zinc/01/44/70/221014470.db2.gz LSSAKVFPTVUBFJ-SNVBAGLBSA-N -1 0 352.184 3.132 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3cccc(Br)c3o2)C1 ZINC000048787369 221014800 /nfs/dbraw/zinc/01/48/00/221014800.db2.gz LSSAKVFPTVUBFJ-JTQLQIEISA-N -1 0 352.184 3.132 50 0 FGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2ccno2)o1 ZINC000064958678 221158244 /nfs/dbraw/zinc/15/82/44/221158244.db2.gz KFFFOVVCWSUDJY-UHFFFAOYSA-N -1 0 354.771 3.397 50 0 FGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2C)s1 ZINC000065183727 221175736 /nfs/dbraw/zinc/17/57/36/221175736.db2.gz KSZSGGZYUFKQKD-UHFFFAOYSA-N -1 0 370.887 3.424 50 0 FGAARM Cc1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(F)cc2C)s1 ZINC000065183947 221176752 /nfs/dbraw/zinc/17/67/52/221176752.db2.gz FVEBGGAIGGKJCO-UHFFFAOYSA-N -1 0 368.459 3.471 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C(C)(C)CN2C(C)=O ZINC000065020939 221163745 /nfs/dbraw/zinc/16/37/45/221163745.db2.gz WVJFAEZGHSRTMV-UHFFFAOYSA-N -1 0 374.462 3.140 50 0 FGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccc(-c3ccno3)s2)cc1 ZINC000065031178 221164855 /nfs/dbraw/zinc/16/48/55/221164855.db2.gz BYEUNTJDZILEJB-UHFFFAOYSA-N -1 0 363.420 3.162 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(CC)o2)o1 ZINC000065246247 221186144 /nfs/dbraw/zinc/18/61/44/221186144.db2.gz RUMGWDPLUSWRCK-UHFFFAOYSA-N -1 0 363.395 3.092 50 0 FGAARM O=C([O-])c1cc(-c2ccc(F)cc2Cl)cc(S(=O)(=O)NC2CC2)c1 ZINC000071746058 221358090 /nfs/dbraw/zinc/35/80/90/221358090.db2.gz QUVRVKUKMIDRQC-UHFFFAOYSA-N -1 0 369.801 3.285 50 0 FGAARM O=C([O-])c1cccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)c1 ZINC000095082598 132206624 /nfs/dbraw/zinc/20/66/24/132206624.db2.gz AVMJNDYMINJPCR-UHFFFAOYSA-N -1 0 352.312 3.302 50 0 FGAARM CCn1c(C)cc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c1C ZINC000091713172 221786253 /nfs/dbraw/zinc/78/62/53/221786253.db2.gz NLGVDYQWLJRBIQ-RBUKOAKNSA-N -1 0 354.450 3.374 50 0 FGAARM Cc1nc(N(C)C)nc(C)c1[N-]S(=O)(=O)c1ccc2ccccc2c1 ZINC000096098608 222022499 /nfs/dbraw/zinc/02/24/99/222022499.db2.gz YXCZWQDLASVSEY-UHFFFAOYSA-N -1 0 356.451 3.113 50 0 FGAARM Cc1cccc(C)c1NC(=O)C1=C([O-])c2sccc2N(C)S1(=O)=O ZINC000100326311 222241807 /nfs/dbraw/zinc/24/18/07/222241807.db2.gz XFNVZPINXQGSBN-UHFFFAOYSA-N -1 0 364.448 3.010 50 0 FGAARM Cc1cnc(NC(=O)c2c([O-])c3ccccc3n(CC(C)C)c2=O)s1 ZINC000100464316 222245669 /nfs/dbraw/zinc/24/56/69/222245669.db2.gz QSZAFLFWFQTCJK-UHFFFAOYSA-N -1 0 357.435 3.380 50 0 in-vitro FGAARM CCCCCn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21 ZINC000100512602 222246524 /nfs/dbraw/zinc/24/65/24/222246524.db2.gz NVUBLTIKSMIPOB-UHFFFAOYSA-N -1 0 354.406 3.420 50 0 FGAARM COc1ccc(O[C@H](C)C(=O)c2c(C)[n-]n(Cc3ccccc3)c2=O)cc1 ZINC000103614530 222340146 /nfs/dbraw/zinc/34/01/46/222340146.db2.gz UQFLXPFQLXCPRP-BEFAXECRSA-N -1 0 366.417 3.066 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000101418349 222274320 /nfs/dbraw/zinc/27/43/20/222274320.db2.gz UEZTVNQCDFHNTE-DLBZAZTESA-N -1 0 368.824 3.396 50 0 FGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(CC)cc4)c(=O)c2=3)cc1 ZINC000101418426 222274593 /nfs/dbraw/zinc/27/45/93/222274593.db2.gz PQXFRVVRTHLNCB-RTBURBONSA-N -1 0 362.433 3.305 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)c3cccs3)cc2[n-]c1=S ZINC000102861134 222311538 /nfs/dbraw/zinc/31/15/38/222311538.db2.gz BRIPGKQSJCJJJM-JTQLQIEISA-N -1 0 359.476 3.258 50 0 FGAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2nnc(CC)s2)c1=O ZINC000103102507 222321561 /nfs/dbraw/zinc/32/15/61/222321561.db2.gz VEVJQQABQPWPRD-UHFFFAOYSA-N -1 0 372.450 3.173 50 0 in-vitro FGAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)NCc1ccccc1 ZINC000002971409 263327900 /nfs/dbraw/zinc/32/79/00/263327900.db2.gz XOKUQEHSRSMYOO-UHFFFAOYSA-N -1 0 353.447 3.156 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000001145110 493787051 /nfs/dbraw/zinc/78/70/51/493787051.db2.gz RFUDVJOOUBKKPY-KBPBESRZSA-N -1 0 373.434 3.225 50 0 FGAARM CC(C)(C)OC(=O)N1CCc2cc(Br)ccc2[C@@H]1C(=O)[O-] ZINC000002527069 493811510 /nfs/dbraw/zinc/81/15/10/493811510.db2.gz QSMPYYITXKRKLS-GFCCVEGCSA-N -1 0 356.216 3.368 50 0 FGAARM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1cc(-c2cccs2)on1 ZINC000057884914 493812404 /nfs/dbraw/zinc/81/24/04/493812404.db2.gz ZVFJVMIYHKQYHD-UHFFFAOYSA-N -1 0 354.347 3.411 50 0 FGAARM CCOCCCn1c(=O)c2cc(OCC)c(OCC)cc2[n-]c1=S ZINC000003010180 493829356 /nfs/dbraw/zinc/82/93/56/493829356.db2.gz YVOHVISRNKLHRJ-UHFFFAOYSA-N -1 0 352.456 3.283 50 0 FGAARM CCCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1Cl ZINC000058174819 493830589 /nfs/dbraw/zinc/83/05/89/493830589.db2.gz JLQUFYANUDMWNS-OLZOCXBDSA-N -1 0 364.829 3.085 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(-n2cccc2)ccc1F ZINC000058183837 493831584 /nfs/dbraw/zinc/83/15/84/493831584.db2.gz QMFHMWOUXFMPKY-UHFFFAOYSA-N -1 0 374.393 3.424 50 0 FGAARM CCOC(=O)c1ccc(NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)cc1 ZINC000003646791 493856670 /nfs/dbraw/zinc/85/66/70/493856670.db2.gz BISCHWCDTSEAHS-MRXNPFEDSA-N -1 0 355.390 3.450 50 0 FGAARM Nc1cccc(-c2csc(-n3ncc(C(=O)[O-])c3C(F)(F)F)n2)c1 ZINC000004050956 493861825 /nfs/dbraw/zinc/86/18/25/493861825.db2.gz FQZJHQCZWNEAFQ-UHFFFAOYSA-N -1 0 354.313 3.295 50 0 FGAARM Cc1ccccc1N[C@H]1SC(=O)N(Cc2ccc(C(=O)[O-])cc2)C1=O ZINC000004271889 493870097 /nfs/dbraw/zinc/87/00/97/493870097.db2.gz GNONUVSHHLFZAU-HNNXBMFYSA-N -1 0 356.403 3.327 50 0 FGAARM Cc1cccc(N[C@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000004271918 493870184 /nfs/dbraw/zinc/87/01/84/493870184.db2.gz HTXBDZPDRAGMHK-HNNXBMFYSA-N -1 0 356.403 3.327 50 0 FGAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cc(C)ccc2OC)c1=O ZINC000049409534 493873732 /nfs/dbraw/zinc/87/37/32/493873732.db2.gz GFIAMAAFNDXMJP-UHFFFAOYSA-N -1 0 358.419 3.358 50 0 FGAARM Cc1ccccc1-c1csc2c1[nH]c(N1CCC[C@H](C(=O)[O-])C1)nc2=O ZINC000049421368 493874013 /nfs/dbraw/zinc/87/40/13/493874013.db2.gz QMNPCZDMKLNCII-LBPRGKRZSA-N -1 0 369.446 3.261 50 0 FGAARM COC(=O)[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000004600543 493884326 /nfs/dbraw/zinc/88/43/26/493884326.db2.gz WOISWIOQMIOBDC-GOSISDBHSA-N -1 0 363.369 3.182 50 0 FGAARM O=C(CSc1nc2[nH]c(=O)cc([O-])c2s1)c1ccc(Cl)cc1 ZINC000004945361 493902935 /nfs/dbraw/zinc/90/29/35/493902935.db2.gz ZJMBKODXTLKJQS-UHFFFAOYSA-N -1 0 352.824 3.319 50 0 FGAARM O=C(Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)Nc1cccnc1 ZINC000032033099 493971294 /nfs/dbraw/zinc/97/12/94/493971294.db2.gz TWPHHQYRLSKVBD-UHFFFAOYSA-N -1 0 373.459 3.125 50 0 FGAARM Cc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)[n-]c1=O ZINC000006660857 493972929 /nfs/dbraw/zinc/97/29/29/493972929.db2.gz RHZUMYTVOLPEHA-UHFFFAOYSA-N -1 0 364.515 3.472 50 0 FGAARM COc1ccc(NC(=O)c2c[n-]c3cc(F)cc(F)c3c2=O)cc1OC ZINC000032606695 494000411 /nfs/dbraw/zinc/00/04/11/494000411.db2.gz KNZCRBLJCTZLLA-UHFFFAOYSA-N -1 0 360.316 3.076 50 0 FGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)cc4)c=3c2=O)c1 ZINC000033274055 494055837 /nfs/dbraw/zinc/05/58/37/494055837.db2.gz KCHCIYRYTLKFQL-HUUCEWRRSA-N -1 0 356.382 3.045 50 0 FGAARM CCCCOc1ccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)cc1 ZINC000034763252 494067884 /nfs/dbraw/zinc/06/78/84/494067884.db2.gz HLVHXGGJFUDMCV-UHFFFAOYSA-N -1 0 372.469 3.128 50 0 FGAARM CC(C)C[C@H](NC(=O)Cc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000036359677 494090392 /nfs/dbraw/zinc/09/03/92/494090392.db2.gz LMMGSZZNQDDHKO-AWEZNQCLSA-N -1 0 350.415 3.107 50 0 FGAARM CC[C@@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000036579961 494092450 /nfs/dbraw/zinc/09/24/50/494092450.db2.gz SUZFIBVUFQBKBH-MEBBXXQBSA-N -1 0 350.415 3.107 50 0 FGAARM CCc1ccc(OCCSc2nnc(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000009340598 494121245 /nfs/dbraw/zinc/12/12/45/494121245.db2.gz ZRQYUORNGNRJOF-UHFFFAOYSA-N -1 0 367.474 3.489 50 0 FGAARM Cc1cc(C)cc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)c1 ZINC000009807534 494132965 /nfs/dbraw/zinc/13/29/65/494132965.db2.gz BAJZEDSZONKGJR-UHFFFAOYSA-N -1 0 364.492 3.402 50 0 FGAARM O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000040108618 494133013 /nfs/dbraw/zinc/13/30/13/494133013.db2.gz ZGNOXTSCOCQRJI-UHFFFAOYSA-N -1 0 369.490 3.158 50 0 FGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCn1ccc2ccc(Cl)cc21 ZINC000040310279 494140977 /nfs/dbraw/zinc/14/09/77/494140977.db2.gz USPDMOGLAUJLMV-KRWDZBQOSA-N -1 0 370.836 3.497 50 0 FGAARM COc1ccc2cc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)ccc2c1 ZINC000041091961 494148246 /nfs/dbraw/zinc/14/82/46/494148246.db2.gz XNBYFWHYCNJMLW-UHFFFAOYSA-N -1 0 357.387 3.347 50 0 FGAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1ccc(OC(F)(F)F)cc1 ZINC000010342305 494151358 /nfs/dbraw/zinc/15/13/58/494151358.db2.gz DCEVVQYEMKYUCP-UHFFFAOYSA-N -1 0 352.721 3.434 50 0 FGAARM Cc1ccc(-c2[nH]nc3c2[C@@]2(C(=O)[O-])C[C@@H](N3)c3cccc(O)c3O2)cc1 ZINC000072333496 494152730 /nfs/dbraw/zinc/15/27/30/494152730.db2.gz IKIZALMWBBVJRI-ZUOKHONESA-N -1 0 363.373 3.320 50 0 FGAARM O=C(Cc1nc(=O)c2sccc2[n-]1)Nc1ccc(Cl)cc1Cl ZINC000053847720 494171798 /nfs/dbraw/zinc/17/17/98/494171798.db2.gz BTBCWRGDMCPEME-UHFFFAOYSA-N -1 0 354.218 3.473 50 0 FGAARM CC[C@@H](C)[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)[O-] ZINC000011865965 494195030 /nfs/dbraw/zinc/19/50/30/494195030.db2.gz FDTBTRVZDPUVFT-IAQYHMDHSA-N -1 0 357.435 3.316 50 0 FGAARM CCOc1ccc(Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cn2)cc1 ZINC000012544782 494240113 /nfs/dbraw/zinc/24/01/13/494240113.db2.gz RCLUNJZPEUAJML-UHFFFAOYSA-N -1 0 370.434 3.420 50 0 FGAARM O=C([O-])CCSCC(=O)N[C@H](c1cccs1)c1ccc(F)cc1 ZINC000012784172 494258691 /nfs/dbraw/zinc/25/86/91/494258691.db2.gz OHILIUJNSHAIOO-INIZCTEOSA-N -1 0 353.440 3.301 50 0 FGAARM Cc1n[n-]c(=S)n1-c1cccc(NC(=O)[C@H]2COc3ccccc3C2)c1 ZINC000089736186 494350698 /nfs/dbraw/zinc/35/06/98/494350698.db2.gz PNOXNJXFFADZLL-CQSZACIVSA-N -1 0 366.446 3.428 50 0 FGAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000089827791 494375966 /nfs/dbraw/zinc/37/59/66/494375966.db2.gz LWVAFADAGBGYET-KRWDZBQOSA-N -1 0 367.361 3.137 50 0 FGAARM C[C@@H](OCCC[N-]S(=O)(=O)c1c(F)cccc1F)c1ccccc1 ZINC000045742463 494455876 /nfs/dbraw/zinc/45/58/76/494455876.db2.gz SMNYBNFGQKZLTK-CYBMUJFWSA-N -1 0 355.406 3.411 50 0 FGAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)c(F)c2)C1 ZINC000091254873 494574577 /nfs/dbraw/zinc/57/45/77/494574577.db2.gz RJLUVOFINBXXMK-QGZVFWFLSA-N -1 0 357.809 3.213 50 0 FGAARM O=S(=O)([N-]c1cc(-c2cccnc2)[nH]n1)c1ccc2c(c1)CCCC2 ZINC000131365368 494595564 /nfs/dbraw/zinc/59/55/64/494595564.db2.gz DFNXNLWJGFFHIA-UHFFFAOYSA-N -1 0 354.435 3.151 50 0 FGAARM Cc1ccc(-c2nc3ccccc3[nH]c2=O)c(NC(=O)CCCC(=O)[O-])c1 ZINC000075110310 494693208 /nfs/dbraw/zinc/69/32/08/494693208.db2.gz DYAZRBZQQKBAOQ-UHFFFAOYSA-N -1 0 365.389 3.092 50 0 FGAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2)n1 ZINC000075505089 494781201 /nfs/dbraw/zinc/78/12/01/494781201.db2.gz GIJUXUFVKKSNMA-UHFFFAOYSA-N -1 0 360.439 3.353 50 0 FGAARM COc1ccc(Br)cc1[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000026423379 494824776 /nfs/dbraw/zinc/82/47/76/494824776.db2.gz AYGISBSQMXCRMQ-NSHDSACASA-N -1 0 360.204 3.108 50 0 FGAARM COc1cccc(CN2CCN([C@H](C(=O)[O-])c3ccc(C)cc3F)CC2)c1 ZINC000095384798 494970608 /nfs/dbraw/zinc/97/06/08/494970608.db2.gz RBOLEUBOWHBNAO-FQEVSTJZSA-N -1 0 372.440 3.086 50 0 FGAARM COC(=O)c1[n-]c(=NC(=O)c2cc3cc(Cl)ccc3n2C)sc1C ZINC000095477980 494979576 /nfs/dbraw/zinc/97/95/76/494979576.db2.gz BRJKFXYSEGVTKZ-UHFFFAOYSA-N -1 0 363.826 3.057 50 0 FGAARM Cc1ccc(-c2cc(C(=O)N[C@H](CC(=O)[O-])c3ccc(F)cc3)[nH]n2)o1 ZINC000095505611 494982149 /nfs/dbraw/zinc/98/21/49/494982149.db2.gz IUXWUKYBPNHLRE-CYBMUJFWSA-N -1 0 357.341 3.063 50 0 FGAARM CCc1nnc([N-]S(=O)(=O)Cc2ccccc2C(F)(F)F)s1 ZINC000095944172 494991306 /nfs/dbraw/zinc/99/13/06/494991306.db2.gz PNWBVUSUUGXZSS-UHFFFAOYSA-N -1 0 351.375 3.061 50 0 FGAARM CCOc1c(Cl)cc(/C=C/C(=O)NCCCCC(=O)[O-])cc1OC ZINC000095970552 494993223 /nfs/dbraw/zinc/99/32/23/494993223.db2.gz PYMVNLZQCKOFJJ-BQYQJAHWSA-N -1 0 355.818 3.132 50 0 FGAARM O=S(=O)([N-]c1cccn2nc(C3CC3)nc12)c1ccc(Cl)s1 ZINC000097077934 495022870 /nfs/dbraw/zinc/02/28/70/495022870.db2.gz AMVQRSJEUJFDKF-UHFFFAOYSA-N -1 0 354.844 3.122 50 0 FGAARM C[C@H](Cc1ccccc1)C(=O)N[C@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1 ZINC000170597615 495531582 /nfs/dbraw/zinc/53/15/82/495531582.db2.gz DPNYFYKRXRPUDK-BZNIZROVSA-N -1 0 373.819 3.077 50 0 FGAARM Cc1cccc(S(=O)(=O)[N-]c2cc(C(C)C)[nH]n2)c1Br ZINC000158485851 496711123 /nfs/dbraw/zinc/71/11/23/496711123.db2.gz JKNMKQPOPJMGNL-UHFFFAOYSA-N -1 0 358.261 3.405 50 0 FGAARM O=C([O-])CCn1c2ccccc2c2c1-c1nc3ccccc3c(=O)n1CC2 ZINC000216626117 496990477 /nfs/dbraw/zinc/99/04/77/496990477.db2.gz TXTFWPFJVAPSNF-UHFFFAOYSA-N -1 0 359.385 3.049 50 0 FGAARM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C(C)(C)C)co2)cc1OC ZINC000225393062 497060760 /nfs/dbraw/zinc/06/07/60/497060760.db2.gz UHAFAYLEHHFNOA-UHFFFAOYSA-N -1 0 354.428 3.099 50 0 FGAARM CCO[C@H](C)c1nc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cs1 ZINC000236925610 497168690 /nfs/dbraw/zinc/16/86/90/497168690.db2.gz ZTBPQZPQLBUPGA-DHMWGJHJSA-N -1 0 366.483 3.027 50 0 FGAARM 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FGAARM CC(=O)c1ccc(C(C)=O)c(S(=O)(=O)[N-]c2cccc3cnccc32)c1 ZINC000028248602 493781491 /nfs/dbraw/zinc/78/14/91/493781491.db2.gz FHLWNVGXSNYBKV-UHFFFAOYSA-N -1 0 368.414 3.441 50 0 FGAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000002740147 493817001 /nfs/dbraw/zinc/81/70/01/493817001.db2.gz PQMCDJKJBBHIMS-GWCFXTLKSA-N -1 0 354.225 3.497 50 0 FGAARM O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1ccc2ccccc2c1 ZINC000002789457 493820529 /nfs/dbraw/zinc/82/05/29/493820529.db2.gz GHHNAPQMIYWKSI-UHFFFAOYSA-N -1 0 364.430 3.280 50 0 FGAARM CCCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cccc(OC)c2)cc1 ZINC000003624506 493856809 /nfs/dbraw/zinc/85/68/09/493856809.db2.gz VFPZPUUAHKTUGS-GOSISDBHSA-N -1 0 357.406 3.430 50 0 FGAARM C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@H]1CCC2=O ZINC000003876187 493859371 /nfs/dbraw/zinc/85/93/71/493859371.db2.gz JKKFKPJIXZFSSB-KONPQCLYSA-N -1 0 350.436 3.293 50 0 FGAARM CSc1ccc(C)c(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000030032373 493875671 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358.341 3.329 50 0 FGAARM COc1ccccc1C[C@@H](C(=O)Nc1cccc2ccccc21)c1nnn[n-]1 ZINC000005486154 493932564 /nfs/dbraw/zinc/93/25/64/493932564.db2.gz YVZWWGVSZJWCQN-QGZVFWFLSA-N -1 0 373.416 3.327 50 0 FGAARM CN(C)c1ccc(Nc2c(C(=O)[O-])c[nH+]c3ccc(C(=O)[O-])cc32)cc1 ZINC000005510837 493933486 /nfs/dbraw/zinc/93/34/86/493933486.db2.gz CAYKBUYKSMTNTB-UHFFFAOYSA-N -1 0 351.362 3.441 50 0 FGAARM O=S(=O)([N-]c1ccc(Br)cn1)c1cccc2cccnc21 ZINC000006352484 493960357 /nfs/dbraw/zinc/96/03/57/493960357.db2.gz AGUUSQGHFCGOKO-UHFFFAOYSA-N -1 0 364.224 3.193 50 0 FGAARM CSc1nc2c3c(sc2c(SCC(=O)[O-])n1)CC(C)(C)OC3 ZINC000006670300 493973999 /nfs/dbraw/zinc/97/39/99/493973999.db2.gz GVXOVMYCAWNCPC-UHFFFAOYSA-N -1 0 356.494 3.441 50 0 FGAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000006770548 493979040 /nfs/dbraw/zinc/97/90/40/493979040.db2.gz GQHSKKGWCFLXEK-CVEARBPZSA-N -1 0 354.797 3.142 50 0 FGAARM O=S(=O)([N-]c1ccc2c(c1)OCCCO2)c1ccc(F)c(F)c1F ZINC000007054670 493996866 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O=C([O-])c1cccc(CS(=O)(=O)c2ccc(Br)cc2)c1 ZINC000037375200 494104465 /nfs/dbraw/zinc/10/44/65/494104465.db2.gz FMCVXXZZYRXREG-UHFFFAOYSA-N -1 0 355.209 3.121 50 0 FGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F ZINC000009606270 494129070 /nfs/dbraw/zinc/12/90/70/494129070.db2.gz DPXJZNYOQKDCPL-UHFFFAOYSA-N -1 0 359.325 3.293 50 0 FGAARM CC(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)cc1 ZINC000009686385 494131224 /nfs/dbraw/zinc/13/12/24/494131224.db2.gz KQTBBHROTOKESO-UHFFFAOYSA-N -1 0 361.448 3.450 50 0 FGAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccc3ncccc3c2)c1 ZINC000072150372 494136197 /nfs/dbraw/zinc/13/61/97/494136197.db2.gz MDRSGRNOVAAMJW-UHFFFAOYSA-N -1 0 370.430 3.287 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000085994848 494141018 /nfs/dbraw/zinc/14/10/18/494141018.db2.gz BHMBVRSPMRCCGG-OUTUXVNYSA-N -1 0 352.471 3.251 50 0 endogenous,investigational FGAARM Cc1c2c(cc(=O)n1-c1ccc(F)c(F)c1)[n-]n(-c1ccccc1)c2=O ZINC000072401370 494163232 /nfs/dbraw/zinc/16/32/32/494163232.db2.gz BLHFUKHTMIOOGS-UHFFFAOYSA-N -1 0 353.328 3.056 50 0 FGAARM O=C([O-])c1nccnc1C(=O)Nc1cccc2c1ccn2Cc1ccccc1 ZINC000072401395 494163844 /nfs/dbraw/zinc/16/38/44/494163844.db2.gz VTJNEPUZEPWDAG-UHFFFAOYSA-N -1 0 372.384 3.430 50 0 FGAARM CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000011502662 494179713 /nfs/dbraw/zinc/17/97/13/494179713.db2.gz DLGYRFGCYYWVQV-UHFFFAOYSA-N -1 0 357.435 3.230 50 0 FGAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000072473850 494180434 /nfs/dbraw/zinc/18/04/34/494180434.db2.gz XMCUJSLWGVBUFA-UHFFFAOYSA-N -1 0 359.809 3.478 50 0 FGAARM O=C([O-])c1ccc(CN2C(=O)S[C@@H](Nc3ccc(F)cc3)C2=O)cc1 ZINC000012289137 494219234 /nfs/dbraw/zinc/21/92/34/494219234.db2.gz ZJHXONPNPLPGKY-CQSZACIVSA-N -1 0 360.366 3.158 50 0 FGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)c(F)c1)O[C@@H](C)C2 ZINC000012560467 494242652 /nfs/dbraw/zinc/24/26/52/494242652.db2.gz BSTXTBJLSVQQQR-JTQLQIEISA-N -1 0 369.389 3.488 50 0 FGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1)O[C@@H](C)C2 ZINC000012585416 494243637 /nfs/dbraw/zinc/24/36/37/494243637.db2.gz XPTKHVWOAWWLAP-JTQLQIEISA-N -1 0 369.389 3.488 50 0 FGAARM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000055149454 494306407 /nfs/dbraw/zinc/30/64/07/494306407.db2.gz MYDOQGFHAQFIFJ-KRWDZBQOSA-N -1 0 366.417 3.084 50 0 FGAARM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000055150804 494307555 /nfs/dbraw/zinc/30/75/55/494307555.db2.gz JZWWLVLFAFYMEL-OLMNPRSZSA-N -1 0 370.449 3.307 50 0 FGAARM COc1ccc([C@@H](C)N(C)C(=O)c2cccc(NCC(=O)[O-])c2)c(OC)c1 ZINC000055308837 494325261 /nfs/dbraw/zinc/32/52/61/494325261.db2.gz QYGVXDDCSPGRRE-CYBMUJFWSA-N -1 0 372.421 3.034 50 0 FGAARM O=C([O-])[C@@H]1CC[C@H](CC(=O)c2ccc(I)cc2)C1 ZINC000043879090 494327908 /nfs/dbraw/zinc/32/79/08/494327908.db2.gz DXMMYMVRKDJRCQ-GXSJLCMTSA-N -1 0 358.175 3.365 50 0 FGAARM Cc1ccccc1[C@@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1C(=O)[O-] ZINC000091486752 494610666 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0 FGAARM COc1cccc(CN2CCN([C@H](C(=O)[O-])c3cccc(C)c3F)CC2)c1 ZINC000095362064 494964195 /nfs/dbraw/zinc/96/41/95/494964195.db2.gz UOKJSAFQXBHBOR-FQEVSTJZSA-N -1 0 372.440 3.086 50 0 FGAARM O=C([O-])c1cccc(C(=O)NCCc2nc3ccccc3n2C(F)F)c1 ZINC000095445265 494974834 /nfs/dbraw/zinc/97/48/34/494974834.db2.gz ZYDSARGCAMVJPQ-UHFFFAOYSA-N -1 0 359.332 3.102 50 0 FGAARM Cc1ccoc1C(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000095424461 494975224 /nfs/dbraw/zinc/97/52/24/494975224.db2.gz SAIOHMSHAPMMCN-GFCCVEGCSA-N -1 0 352.184 3.296 50 0 FGAARM C[C@@H]1CCC[C@H](C)CN1C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000133591017 495032344 /nfs/dbraw/zinc/03/23/44/495032344.db2.gz RZFDTOIIDGVKAA-UONOGXRCSA-N -1 0 359.495 3.112 50 0 FGAARM CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000170643475 495543768 /nfs/dbraw/zinc/54/37/68/495543768.db2.gz GHWFFXXQGGWJIS-WBMJQRKESA-N -1 0 359.495 3.263 50 0 FGAARM O=C([O-])[C@H](NC(=O)Nc1cccc(-c2cccs2)c1)[C@@H]1CCCOC1 ZINC000225487553 497065152 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222913737 /nfs/dbraw/zinc/91/37/37/222913737.db2.gz LLLDFYNZVVFYGS-GFCCVEGCSA-N -1 0 351.200 3.153 50 0 FGAARM CCc1ccc([C@H]2[C@@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000004563595 219586633 /nfs/dbraw/zinc/58/66/33/219586633.db2.gz VDRQEGUIDDYMLK-OALUTQOASA-N -1 0 369.417 3.261 50 0 FGAARM COc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)[O-] ZINC000004978396 219633804 /nfs/dbraw/zinc/63/38/04/219633804.db2.gz YLNCVPFOFSHRQY-UHFFFAOYSA-N -1 0 350.168 3.408 50 0 FGAARM Cc1ccc2cc3c(NC(=O)CCC(=O)[O-])nn(CC(C)C)c3nc2c1 ZINC000005243377 219664038 /nfs/dbraw/zinc/66/40/38/219664038.db2.gz MQKCUZNNRGAJBL-UHFFFAOYSA-N -1 0 354.410 3.352 50 0 FGAARM O=C([O-])c1cc(N2C(=S)N=NC2c2cc(C3CC3)n[nH]2)ccc1Cl ZINC000006659229 219743877 /nfs/dbraw/zinc/74/38/77/219743877.db2.gz VLPFXAUACNACFD-UHFFFAOYSA-N -1 0 361.814 3.175 50 0 FGAARM Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000007716704 219819631 /nfs/dbraw/zinc/81/96/31/219819631.db2.gz FVTHLVXGNOLKQM-NSHDSACASA-N -1 0 359.856 3.204 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(-n2cccc2)cc1 ZINC000012543074 220005141 /nfs/dbraw/zinc/00/51/41/220005141.db2.gz ZSGKKOKJGLRMQU-UHFFFAOYSA-N -1 0 364.430 3.048 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@H](C)C2CC2)c1 ZINC000012541975 220005206 /nfs/dbraw/zinc/00/52/06/220005206.db2.gz VMEOBTNIFJPQLB-CYBMUJFWSA-N -1 0 374.462 3.024 50 0 FGAARM Cc1ccc(C)c(CNC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1 ZINC000013235090 220062351 /nfs/dbraw/zinc/06/23/51/220062351.db2.gz ZGHXTUAZASBKRT-LJQANCHMSA-N -1 0 365.433 3.280 50 0 FGAARM COc1cccc(CCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)c1OC ZINC000013389708 220066748 /nfs/dbraw/zinc/06/67/48/220066748.db2.gz XJERCXVREJIMTN-ZDUSSCGKSA-N -1 0 363.435 3.030 50 0 FGAARM CN(Cc1ccc(Cl)s1)C(=O)COc1ccc(CC(=O)[O-])cc1 ZINC000013421345 220066956 /nfs/dbraw/zinc/06/69/56/220066956.db2.gz USKQAYXYPGHFLZ-UHFFFAOYSA-N -1 0 353.827 3.066 50 0 FGAARM CC(=O)N1CCc2cc(NC(=O)CC3(C(=O)[O-])CCCCCC3)ccc21 ZINC000013468116 220068042 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O=C([O-])CCC(=O)Nc1sccc1C(=O)Nc1ccc(Cl)cc1 ZINC000017073113 220201749 /nfs/dbraw/zinc/20/17/49/220201749.db2.gz CKOYWRVHUUJEHP-UHFFFAOYSA-N -1 0 352.799 3.457 50 0 FGAARM CCc1cc(C(=O)OC)c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])s1 ZINC000017075083 220204259 /nfs/dbraw/zinc/20/42/59/220204259.db2.gz QAFFUTDTJDSGPX-TWZWYRAHSA-N -1 0 365.451 3.173 50 0 FGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000018054033 220221840 /nfs/dbraw/zinc/22/18/40/220221840.db2.gz ZNEKRHNOSXSBBK-UHFFFAOYSA-N -1 0 354.225 3.453 50 0 FGAARM CCC[C@@H](NC(=O)c1ccc(N2CC(=O)N=C2[O-])cc1)c1ccccc1 ZINC000019112439 220236006 /nfs/dbraw/zinc/23/60/06/220236006.db2.gz XUTMBSQOLAAFEQ-QGZVFWFLSA-N -1 0 351.406 3.014 50 0 FGAARM O=C(NCc1ccccc1C(F)(F)F)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409572 221021593 /nfs/dbraw/zinc/02/15/93/221021593.db2.gz GQDNWMIMPKXSGI-UHFFFAOYSA-N -1 0 368.336 3.244 50 0 FGAARM CCCC(=O)Nc1ccc(Cn2c(=O)c3ccccc3[n-]c2=S)cc1 ZINC000055178911 221061038 /nfs/dbraw/zinc/06/10/38/221061038.db2.gz CWVBMGHUFCKRSF-UHFFFAOYSA-N -1 0 353.447 3.472 50 0 FGAARM COC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000054034837 221049240 /nfs/dbraw/zinc/04/92/40/221049240.db2.gz GCIIAXQNGZZZMP-UHFFFAOYSA-N -1 0 370.390 3.429 50 0 FGAARM O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@H]2c1cccc(O)c1 ZINC000061719854 221134584 /nfs/dbraw/zinc/13/45/84/221134584.db2.gz DQESGGSTXMNOJP-ZDUSSCGKSA-N -1 0 366.348 3.494 50 0 FGAARM C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000058355207 221115682 /nfs/dbraw/zinc/11/56/82/221115682.db2.gz VNXQHDJGGBPJJU-LBPRGKRZSA-N -1 0 357.431 3.013 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2ccno2)cc1OC ZINC000064979599 221160735 /nfs/dbraw/zinc/16/07/35/221160735.db2.gz LEYKJIHKTBYWKH-UHFFFAOYSA-N -1 0 360.391 3.160 50 0 FGAARM CCc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3C)o2)o1 ZINC000065246249 221185806 /nfs/dbraw/zinc/18/58/06/221185806.db2.gz TXNTYIGFFYUFAZ-UHFFFAOYSA-N -1 0 351.359 3.140 50 0 FGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(-c2ccoc2)no1 ZINC000065153468 221173471 /nfs/dbraw/zinc/17/34/71/221173471.db2.gz MSSZDCXFLOUBSV-UHFFFAOYSA-N -1 0 354.771 3.397 50 0 FGAARM Nc1c(Cl)cc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1Cl ZINC000065528828 221230927 /nfs/dbraw/zinc/23/09/27/221230927.db2.gz PCZOJSLAGZLPHO-UHFFFAOYSA-N -1 0 357.222 3.253 50 0 FGAARM O=C([O-])c1cn(C[C@@H]2CCCN(c3ccnc4cc(Cl)ccc43)C2)nn1 ZINC000067739483 221278519 /nfs/dbraw/zinc/27/85/19/221278519.db2.gz NNHYKGLMFGYVAB-GFCCVEGCSA-N -1 0 371.828 3.095 50 0 FGAARM C[C@H](c1ccccc1)n1c(Cc2ccc(O)cc2)nnc1SCC(=O)[O-] ZINC000067673264 221267644 /nfs/dbraw/zinc/26/76/44/221267644.db2.gz RIBPUMKKZAIPJF-CYBMUJFWSA-N -1 0 369.446 3.361 50 0 FGAARM COc1ccccc1-n1c(CCc2ccccc2)nnc1SCC(=O)[O-] ZINC000067881358 221299347 /nfs/dbraw/zinc/29/93/47/221299347.db2.gz ZTBARRQBFJXVPX-UHFFFAOYSA-N -1 0 369.446 3.238 50 0 FGAARM CCOC(=O)c1c(C)n(CC)c2ccc(OCc3n[n-]c(=S)o3)cc21 ZINC000068755362 221318092 /nfs/dbraw/zinc/31/80/92/221318092.db2.gz VCEJTCLHJLDNKU-UHFFFAOYSA-N -1 0 361.423 3.397 50 0 FGAARM O=C([O-])c1ccccc1CC(=O)Nc1nc(-c2ccc(O)cc2O)cs1 ZINC000071284067 221338985 /nfs/dbraw/zinc/33/89/85/221338985.db2.gz JHEBKGSKHZECPA-UHFFFAOYSA-N -1 0 370.386 3.101 50 0 FGAARM COc1ccc2c(c1)-c1nc(-n3ncc(C(=O)[O-])c3C3CC3)ncc1CC2 ZINC000299784656 533239991 /nfs/dbraw/zinc/23/99/91/533239991.db2.gz KGPFQCUVPMQLDT-UHFFFAOYSA-N -1 0 362.389 3.012 50 0 FGAARM CC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000005624729 533416886 /nfs/dbraw/zinc/41/68/86/533416886.db2.gz NKOFCQJOTNZGDU-XNTDXEJSSA-N -1 0 373.771 3.448 50 0 FGAARM CC(N[C@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000101063614 533417022 /nfs/dbraw/zinc/41/70/22/533417022.db2.gz WTQWAAQKQLXRLN-QFVIEVDGSA-N -1 0 363.417 3.203 50 0 FGAARM CC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000018208704 533417952 /nfs/dbraw/zinc/41/79/52/533417952.db2.gz HFZKSCPXULFXHK-FOWTUZBSSA-N -1 0 353.353 3.103 50 0 FGAARM O=C([O-])c1cccc(N2CCC(O)(c3cccc(C(F)(F)F)c3)CC2)n1 ZINC000095511842 132213175 /nfs/dbraw/zinc/21/31/75/132213175.db2.gz WBYRUPWVSRUQHZ-UHFFFAOYSA-N -1 0 366.339 3.287 50 0 FGAARM O=S(=O)([N-]c1nc2ccccc2nc1N1CCCCC1)c1ccccc1 ZINC000003082502 132253735 /nfs/dbraw/zinc/25/37/35/132253735.db2.gz IQJQWWFKENIMMH-UHFFFAOYSA-N -1 0 368.462 3.421 50 0 FGAARM CCOc1cc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)cc(Cl)c1OC ZINC000096298691 222113028 /nfs/dbraw/zinc/11/30/28/222113028.db2.gz UYFVUJKMUGVUOG-PLNGDYQASA-N -1 0 367.829 3.084 50 0 FGAARM C[C@H]1CCc2cc(F)cc3c([O-])c(C(=O)Nc4cccnc4)c(=O)n1c23 ZINC000100630033 222247663 /nfs/dbraw/zinc/24/76/63/222247663.db2.gz CHPCRXYYRRHCHN-JTQLQIEISA-N -1 0 353.353 3.001 50 0 FGAARM CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101417697 222274279 /nfs/dbraw/zinc/27/42/79/222274279.db2.gz GUVZIEUHAYUEHQ-ROUUACIJSA-N -1 0 366.396 3.443 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000101418351 222274288 /nfs/dbraw/zinc/27/42/88/222274288.db2.gz DHEDDIDNORXNFE-IRXDYDNUSA-N -1 0 368.824 3.396 50 0 FGAARM O=C(NCc1ccccc1)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000101723494 222282369 /nfs/dbraw/zinc/28/23/69/222282369.db2.gz KVRWTZLOBZVUDK-UHFFFAOYSA-N -1 0 371.396 3.021 50 0 FGAARM Cc1ccc(C)c([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c1 ZINC000102173155 222290762 /nfs/dbraw/zinc/29/07/62/222290762.db2.gz OQWPRJZUMSYDTE-ZDUSSCGKSA-N -1 0 367.474 3.330 50 0 FGAARM Cn1c(=O)c2ccc(C(=O)N3CCC[C@@H]4CCCC[C@@H]43)cc2[n-]c1=S ZINC000102758515 222307719 /nfs/dbraw/zinc/30/77/19/222307719.db2.gz WVHGJNVIPPUVKK-LRDDRELGSA-N -1 0 357.479 3.017 50 0 FGAARM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000102874116 222312005 /nfs/dbraw/zinc/31/20/05/222312005.db2.gz JIYOWBWYOHODME-KCQAQPDRSA-N -1 0 358.467 3.003 50 0 FGAARM Cc1nc(-c2cccc([N-]S(=O)(=O)c3c(F)cccc3Cl)c2)n[nH]1 ZINC000125631321 222531765 /nfs/dbraw/zinc/53/17/65/222531765.db2.gz HDXNUCYLLYBFTI-UHFFFAOYSA-N -1 0 366.805 3.373 50 0 FGAARM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc(C)c1OCc1cccnc1 ZINC000159738323 222554037 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363.822 3.156 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000020722067 526321381 /nfs/dbraw/zinc/32/13/81/526321381.db2.gz NVXNIZMBTQALDU-NSHDSACASA-N -1 0 364.854 3.329 50 0 FGAARM COc1ccccc1-c1noc(-c2c([O-])c3cc(F)ccc3n(C)c2=O)n1 ZINC000101725181 570822884 /nfs/dbraw/zinc/82/28/84/570822884.db2.gz GTKNZARLPVVCSN-UHFFFAOYSA-N -1 0 367.336 3.109 50 0 FGAARM CC(C)c1cc(C(=O)NCCC2N=NC(=S)N2C)c(O)c(C(C)C)c1 ZINC000109065428 570911654 /nfs/dbraw/zinc/91/16/54/570911654.db2.gz BLSFRZFANPEEIC-UHFFFAOYSA-N -1 0 362.499 3.029 50 0 FGAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)c1 ZINC000045961567 570917038 /nfs/dbraw/zinc/91/70/38/570917038.db2.gz LGQJAWZDVRHCRS-UHFFFAOYSA-N -1 0 364.492 3.402 50 0 FGAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 ZINC000231339073 571071233 /nfs/dbraw/zinc/07/12/33/571071233.db2.gz NWZCCBGVDITGSW-RTBURBONSA-N -1 0 367.401 3.157 50 0 FGAARM C[C@@H]1CS/C(=C(\C(=O)[O-])C(=O)/C=C\c2cccc([N+](=O)[O-])c2)S1 ZINC000101513910 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O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000000687775 219313033 /nfs/dbraw/zinc/31/30/33/219313033.db2.gz HUWDQSXWUMEBMW-UHFFFAOYSA-N -1 0 362.432 3.072 50 0 FGAARM COc1ccc(C[C@H](C(=O)Nc2ccc(OC)cc2)[C@@H](C)C(=O)[O-])cc1 ZINC000000969777 219348131 /nfs/dbraw/zinc/34/81/31/219348131.db2.gz BFAKWPFRLDCFOG-ACJLOTCBSA-N -1 0 357.406 3.222 50 0 FGAARM S=c1[n-]nc(-c2c3nnnn3nc(-c3ccccc3)c2-c2ccccc2)o1 ZINC000001036753 219355910 /nfs/dbraw/zinc/35/59/10/219355910.db2.gz DAYAIXWEHKMQMH-UHFFFAOYSA-N -1 0 373.401 3.192 50 0 FGAARM Cn1c(=O)c(C(=O)Nc2cccc(Br)c2)c([O-])c2ccccc21 ZINC000001306650 219394082 /nfs/dbraw/zinc/39/40/82/219394082.db2.gz PHXFMBFFHRSWSW-UHFFFAOYSA-N -1 0 373.206 3.259 50 0 FGAARM CCO[C@@H](C)c1nc(CC(=O)N2CCCC[C@@H]2CCC(=O)[O-])cs1 ZINC000237031393 222904258 /nfs/dbraw/zinc/90/42/58/222904258.db2.gz FKCOBARMJADPBG-GXTWGEPZSA-N -1 0 354.472 3.029 50 0 FGAARM O=C([O-])[C@@H]1CCCN1C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 ZINC000238064818 222913577 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220060737 /nfs/dbraw/zinc/06/07/37/220060737.db2.gz HCWCWYTUXQEOFV-UHFFFAOYSA-N -1 0 353.418 3.344 50 0 FGAARM CCOc1c(Cl)cc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000013167451 220061089 /nfs/dbraw/zinc/06/10/89/220061089.db2.gz JRDHASGKNYVXNZ-SNAWJCMRSA-N -1 0 367.829 3.084 50 0 FGAARM COc1ccc(CNC(=O)c2ccc(COC(C)C)cc2)cc1C(=O)[O-] ZINC000013393066 220066883 /nfs/dbraw/zinc/06/68/83/220066883.db2.gz GPFWGXVCNQVJSX-UHFFFAOYSA-N -1 0 357.406 3.248 50 0 FGAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000014011268 220102967 /nfs/dbraw/zinc/10/29/67/220102967.db2.gz PEIFLSAPYZSIQZ-DHDCSXOGSA-N -1 0 372.808 3.498 50 0 FGAARM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)NC(=O)C[C@H](C)S3)nc1 ZINC000015730302 220162886 /nfs/dbraw/zinc/16/28/86/220162886.db2.gz ZMECOHNVDPTGLY-NSHDSACASA-N -1 0 363.464 3.014 50 0 FGAARM CCCOc1cc(S(=O)(=O)[N-]c2cccnc2)ccc1Br ZINC000016651636 220189545 /nfs/dbraw/zinc/18/95/45/220189545.db2.gz GHFJIYBQSUFABL-UHFFFAOYSA-N -1 0 371.256 3.434 50 0 FGAARM 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PTNYIVVOZJMVNP-UHFFFAOYSA-N -1 0 365.789 3.267 50 0 FGAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NCCC1=CCCCC1 ZINC000003043468 493830131 /nfs/dbraw/zinc/83/01/31/493830131.db2.gz FYVJPGYZUAQTNI-UHFFFAOYSA-N -1 0 357.479 3.456 50 0 FGAARM CCOC(=O)c1cc(-c2ccc(OC)cc2)nn1-c1ccc(C(=O)[O-])cc1 ZINC000003229785 493833089 /nfs/dbraw/zinc/83/30/89/493833089.db2.gz SSOAOCHPLZQJGZ-UHFFFAOYSA-N -1 0 366.373 3.423 50 0 FGAARM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC000004624214 493884546 /nfs/dbraw/zinc/88/45/46/493884546.db2.gz OGZIVVIXKKWNMD-UHFFFAOYSA-N -1 0 361.286 3.377 50 0 FGAARM CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000004809485 493893212 /nfs/dbraw/zinc/89/32/12/493893212.db2.gz SFDITWHUIWWANP-UHFFFAOYSA-N -1 0 352.843 3.281 50 0 FGAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2cccnc21 ZINC000005557554 493935307 /nfs/dbraw/zinc/93/53/07/493935307.db2.gz VACOMWAWCGOJNG-UHFFFAOYSA-N -1 0 356.403 3.212 50 0 FGAARM CC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000006362046 493961212 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COC(=O)c1cc([N-]S(=O)(=O)c2cc(F)ccc2F)ccc1Cl ZINC000044330316 494350874 /nfs/dbraw/zinc/35/08/74/494350874.db2.gz CHEPMBAAEQZZPC-UHFFFAOYSA-N -1 0 361.753 3.206 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)CCc2c[nH]c3ccccc23)c1 ZINC000024152941 494610402 /nfs/dbraw/zinc/61/04/02/494610402.db2.gz NTUXZEWPHHYJNK-UHFFFAOYSA-N -1 0 372.446 3.238 50 0 FGAARM Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1F)C1CC1 ZINC000107885748 494617542 /nfs/dbraw/zinc/61/75/42/494617542.db2.gz HXZPIGJQMLQSSK-UHFFFAOYSA-N -1 0 363.410 3.186 50 0 FGAARM COc1cccc([C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)C[C@H]2C(=O)[O-])c1 ZINC000091997601 494747904 /nfs/dbraw/zinc/74/79/04/494747904.db2.gz DWPAJWKGYRGBBU-DLBZAZTESA-N -1 0 364.401 3.117 50 0 FGAARM CN(Cc1csc(Br)c1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000108656512 494757460 /nfs/dbraw/zinc/75/74/60/494757460.db2.gz SQHGWGSBSOSGNL-GHMZBOCLSA-N -1 0 360.273 3.360 50 0 FGAARM COc1cc(C)c([C@@H](C)NC(=O)c2c([O-])cc(F)cc2F)cc1OC ZINC000127508754 494953885 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O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cccc3c2CCCC3)cc1 ZINC000013345872 220064537 /nfs/dbraw/zinc/06/45/37/220064537.db2.gz FRGIAZXDBWDSQC-JLHYYAGUSA-N -1 0 357.431 3.464 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000013467341 220068302 /nfs/dbraw/zinc/06/83/02/220068302.db2.gz JYKGAHHZEILERM-GJZGRUSLSA-N -1 0 353.422 3.368 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000013467344 220068315 /nfs/dbraw/zinc/06/83/15/220068315.db2.gz JYKGAHHZEILERM-CABCVRRESA-N -1 0 353.422 3.368 50 0 FGAARM C[C@](CC(=O)Nc1ccc(N2CCCC2=O)cc1)(C(=O)[O-])c1ccccc1 ZINC000013467644 220068809 /nfs/dbraw/zinc/06/88/09/220068809.db2.gz FNVYPOVWKJBXFC-OAQYLSRUSA-N -1 0 366.417 3.185 50 0 FGAARM CC(C)(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000013696471 220087394 /nfs/dbraw/zinc/08/73/94/220087394.db2.gz JYYPUZVTJBKVBL-UHFFFAOYSA-N -1 0 364.492 3.484 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c(OC)c1 ZINC000015941466 220172662 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C[C@H](c1ccccc1)N1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000017877343 220218930 /nfs/dbraw/zinc/21/89/30/220218930.db2.gz ROZAHHFAARUDEA-WBMJQRKESA-N -1 0 355.415 3.366 50 0 FGAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3ccccc3Cl)c2=O)n1 ZINC000021801961 220366987 /nfs/dbraw/zinc/36/69/87/220366987.db2.gz FDTKVWNYGIOTDB-UHFFFAOYSA-N -1 0 362.842 3.486 50 0 FGAARM CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000033820484 220750319 /nfs/dbraw/zinc/75/03/19/220750319.db2.gz LLQBSJQTCKVWTD-NFUXFLSFSA-N -1 0 356.503 3.267 50 0 in-vitro FGAARM CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000055150462 221060209 /nfs/dbraw/zinc/06/02/09/221060209.db2.gz ZIUCUOVRLHHFDK-OLZOCXBDSA-N -1 0 364.829 3.085 50 0 FGAARM Cc1ccc(C)c(N(C)S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c1 ZINC000055675123 221073632 /nfs/dbraw/zinc/07/36/32/221073632.db2.gz MOQPGPTWCZPLRC-UHFFFAOYSA-N -1 0 353.827 3.480 50 0 FGAARM Cc1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)sc1C(=O)[O-] ZINC000058244540 221109905 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Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(F)c4)c=3c2=O)cc1Cl ZINC000101277714 222267943 /nfs/dbraw/zinc/26/79/43/222267943.db2.gz QHYRLTUKGOFTKC-GJZGRUSLSA-N -1 0 358.760 3.285 50 0 FGAARM CC(C)C[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2ON1c1ccccc1 ZINC000101036453 222261211 /nfs/dbraw/zinc/26/12/11/222261211.db2.gz QJJLUJITDYPBBY-QRVBRYPASA-N -1 0 350.418 3.411 50 0 FGAARM O=C(c1ccco1)N(C1=C([O-])N(c2ccccc2)C(=O)C1)c1ccccc1 ZINC000101160175 222262919 /nfs/dbraw/zinc/26/29/19/222262919.db2.gz HRYVYFIXIQRWAU-QGZVFWFLSA-N -1 0 360.369 3.259 50 0 FGAARM CCCNC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000101501904 222276826 /nfs/dbraw/zinc/27/68/26/222276826.db2.gz HZHWNNIQCJBAFG-UHFFFAOYSA-N -1 0 370.478 3.469 50 0 FGAARM CCOc1ccccc1NCc1cc(=O)n2nc(-c3cccs3)[n-]c2n1 ZINC000101842155 222285247 /nfs/dbraw/zinc/28/52/47/222285247.db2.gz ALGMVQUVNLDIBG-UHFFFAOYSA-N -1 0 367.434 3.157 50 0 FGAARM CCOC(=O)CCc1c(C)nc2c(-c3ccc(F)cc3)c(C)[n-]n2c1=O ZINC000102712015 222305398 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aggregator FGAARM CCCc1cc(C(=O)OCC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000003864105 493859407 /nfs/dbraw/zinc/85/94/07/493859407.db2.gz XEKVOGYDIDCAER-CHWSQXEVSA-N -1 0 365.451 3.483 50 0 FGAARM O=C([O-])CC1(CC(=O)NCc2cc(F)cc3c2OCOC3)CCCCC1 ZINC000003983493 493861322 /nfs/dbraw/zinc/86/13/22/493861322.db2.gz YGDQKALEWIDXED-UHFFFAOYSA-N -1 0 365.401 3.124 50 0 FGAARM CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1 ZINC000004602553 493884345 /nfs/dbraw/zinc/88/43/45/493884345.db2.gz ZGAZNIRAHVFSNS-MRXNPFEDSA-N -1 0 360.797 3.244 50 0 FGAARM O=C([O-])c1cc(NC(=O)c2ccccc2)ccc1I ZINC000004825413 493893965 /nfs/dbraw/zinc/89/39/65/493893965.db2.gz XOTYTDMGTNREAR-UHFFFAOYSA-N -1 0 367.142 3.242 50 0 FGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000005277372 493922907 /nfs/dbraw/zinc/92/29/07/493922907.db2.gz JAJGDGRGDIEUTC-UHFFFAOYSA-N -1 0 366.826 3.034 50 0 FGAARM CCCCCCNC(CC)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000006187046 493953883 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COc1cc(C)c(Cl)cc1S(=O)(=O)[N-]c1ccc(NC(C)=O)cc1 ZINC000008132480 494070401 /nfs/dbraw/zinc/07/04/01/494070401.db2.gz AZQWVMPYVZPSDE-UHFFFAOYSA-N -1 0 368.842 3.416 50 0 FGAARM O=C([O-])c1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 ZINC000036354599 494090460 /nfs/dbraw/zinc/09/04/60/494090460.db2.gz OESBZLKBBRDLEL-OAHLLOKOSA-N -1 0 351.337 3.184 50 0 FGAARM CCc1ccc(Nc2nnc(Cc3ccc(OC)c(OC)c3)c(=O)[n-]2)cc1 ZINC000008913855 494108252 /nfs/dbraw/zinc/10/82/52/494108252.db2.gz ITWGLWCBEGPYCM-UHFFFAOYSA-N -1 0 366.421 3.491 50 0 FGAARM Cc1cc2nc(CN3CCC[C@@H]3c3nc4ccccc4s3)cc(=O)n2[n-]1 ZINC000072150210 494135365 /nfs/dbraw/zinc/13/53/65/494135365.db2.gz SCNCOPHMONYLAK-OAHLLOKOSA-N -1 0 365.462 3.278 50 0 FGAARM C[C@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000010055109 494141764 /nfs/dbraw/zinc/14/17/64/494141764.db2.gz UKGVUUHZAMHVOT-NSHDSACASA-N -1 0 350.465 3.077 50 0 FGAARM CC(C)[C@H](C(=O)N1CCCn2nc(CCC(=O)[O-])cc2C1)c1ccccc1 ZINC000072412360 494167088 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3.254 50 0 FGAARM Cc1cc(NC[C@@H]2CC(=O)N(C3CCCC3)C2)nc(-c2ccccc2[O-])n1 ZINC000091873318 494711805 /nfs/dbraw/zinc/71/18/05/494711805.db2.gz NXVYZOQTNJDGKO-HNNXBMFYSA-N -1 0 366.465 3.361 50 0 FGAARM O=S(=O)([N-]c1nncn1-c1ccccc1)c1cccc2ccccc21 ZINC000126763006 494833659 /nfs/dbraw/zinc/83/36/59/494833659.db2.gz MEBQJNOPLPFNRZ-UHFFFAOYSA-N -1 0 350.403 3.221 50 0 FGAARM O=C([O-])c1ccc(F)c(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 ZINC000095349595 494960582 /nfs/dbraw/zinc/96/05/82/494960582.db2.gz IVIDZTBRXJBPJA-OAHLLOKOSA-N -1 0 359.353 3.334 50 0 FGAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)cc1 ZINC000095376210 494968646 /nfs/dbraw/zinc/96/86/46/494968646.db2.gz DTESNCXIHVYADY-KRWDZBQOSA-N -1 0 361.401 3.348 50 0 FGAARM COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000095424825 494975169 /nfs/dbraw/zinc/97/51/69/494975169.db2.gz CYULTUTZBHZPFO-GJZGRUSLSA-N -1 0 371.389 3.153 50 0 FGAARM COc1ccccc1C1(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)CC1 ZINC000095425242 494975260 /nfs/dbraw/zinc/97/52/60/494975260.db2.gz YTFMRXYOCYVQCO-UHFFFAOYSA-N -1 0 355.390 3.137 50 0 FGAARM CCCOc1c(Cl)cc(C(=O)N(CCC(=O)[O-])C2CC2)cc1OC ZINC000095969863 494993060 /nfs/dbraw/zinc/99/30/60/494993060.db2.gz DTNRIVDAOJIYRN-UHFFFAOYSA-N -1 0 355.818 3.217 50 0 FGAARM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1ccccc1Br ZINC000105781620 495393229 /nfs/dbraw/zinc/39/32/29/495393229.db2.gz GQGMPXBDLSOHMA-UHFFFAOYSA-N -1 0 352.213 3.126 50 0 FGAARM CC(C)(C)OC(=O)[C@H]1CCCN(C(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000137040324 495419179 /nfs/dbraw/zinc/41/91/79/495419179.db2.gz JIUPXGPKTVNNNC-LBPRGKRZSA-N -1 0 362.451 3.310 50 0 FGAARM Cc1nc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)nc2c1CCCC2 ZINC000170615578 495535945 /nfs/dbraw/zinc/53/59/45/495535945.db2.gz INEJGZFUHGVQCQ-UHFFFAOYSA-N -1 0 369.849 3.398 50 0 FGAARM Cc1nc2ccc(N(C)S(=O)(=O)c3cc(C(=O)[O-])cs3)cc2s1 ZINC000170655507 495549289 /nfs/dbraw/zinc/54/92/89/495549289.db2.gz QREVSWJJDMRENM-UHFFFAOYSA-N -1 0 368.461 3.190 50 0 FGAARM O=C(NCc1nnc(C2CC2)n1C1CC1)c1c([O-])cc(Cl)cc1Cl ZINC000156519190 496268059 /nfs/dbraw/zinc/26/80/59/496268059.db2.gz BGCMAFXTCPQRDP-UHFFFAOYSA-N -1 0 367.236 3.433 50 0 FGAARM C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163614061 496538873 /nfs/dbraw/zinc/53/88/73/496538873.db2.gz USMGJHNTONHMCT-MPKXVKKWSA-N -1 0 359.451 3.092 50 0 FGAARM COc1ccc(NC=C2C(=O)c3ccccc3O[C@H]2SCC(=O)[O-])cc1 ZINC000211003233 496975869 /nfs/dbraw/zinc/97/58/69/496975869.db2.gz MXFHFAQINSEJOG-XATQLNLPSA-N -1 0 371.414 3.410 50 0 FGAARM COc1cc(C)cc(OC)c1[C@H]1CCN(C(=O)OC(C)(C)C)[C@@H]1C(=O)[O-] ZINC000221039248 497017807 /nfs/dbraw/zinc/01/78/07/497017807.db2.gz MRSQRCIKRVUXRM-WBMJQRKESA-N -1 0 365.426 3.190 50 0 FGAARM COc1cc(C)cc(OC)c1[C@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000221039316 497018120 /nfs/dbraw/zinc/01/81/20/497018120.db2.gz MRSQRCIKRVUXRM-MLGOLLRUSA-N -1 0 365.426 3.190 50 0 FGAARM CO[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccc(Cl)s1 ZINC000225705807 497072048 /nfs/dbraw/zinc/07/20/48/497072048.db2.gz MLTUQXCRMUKTIO-SNVBAGLBSA-N -1 0 367.826 3.346 50 0 FGAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000236822757 497152739 /nfs/dbraw/zinc/15/27/39/497152739.db2.gz XMJSGDAOXWSYSN-APWZRJJASA-N -1 0 370.449 3.054 50 0 FGAARM CC(C)c1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000236852802 497157052 /nfs/dbraw/zinc/15/70/52/497157052.db2.gz KQECDTUGEPEKPT-MRXNPFEDSA-N -1 0 371.437 3.258 50 0 FGAARM Cc1ccc(OCC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)cc1 ZINC000237692862 497276732 /nfs/dbraw/zinc/27/67/32/497276732.db2.gz VHYPPKAPFGZLKZ-UHFFFAOYSA-N -1 0 363.360 3.156 50 0 FGAARM Cc1sc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1-c1ccc(F)cc1 ZINC000237697156 497277185 /nfs/dbraw/zinc/27/71/85/497277185.db2.gz BVPLHGZMXCAZNQ-CQSZACIVSA-N -1 0 363.410 3.178 50 0 FGAARM Cc1c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cnn1-c1ccc(F)cc1 ZINC000237746601 497286536 /nfs/dbraw/zinc/28/65/36/497286536.db2.gz GFESTOXTANZHBP-AWEZNQCLSA-N -1 0 359.401 3.037 50 0 FGAARM COc1cc(C)c(C(C)C)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000252498798 497307642 /nfs/dbraw/zinc/30/76/42/497307642.db2.gz RLKRFEJMFJYULU-UHFFFAOYSA-N -1 0 362.451 3.027 50 0 FGAARM CN1C(=S)N(c2ccccc2)C(=O)[C@H]1N=Nc1ccccc1C(=O)[O-] ZINC000252642011 497313954 /nfs/dbraw/zinc/31/39/54/497313954.db2.gz ZIBQKKZPNNXMHP-AWEZNQCLSA-N -1 0 354.391 3.058 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000237948094 497318386 /nfs/dbraw/zinc/31/83/86/497318386.db2.gz YJLNFVWJZOEVRV-LBPRGKRZSA-N -1 0 357.809 3.351 50 0 FGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000237983418 497322924 /nfs/dbraw/zinc/32/29/24/497322924.db2.gz RMBBAPIPKMWMQL-SZMVWBNQSA-N -1 0 366.417 3.104 50 0 FGAARM CC1(C)CC[C@@H](C(=O)[O-])N1S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000253415597 497333059 /nfs/dbraw/zinc/33/30/59/497333059.db2.gz IFQXHPLBMMHJQF-NSHDSACASA-N -1 0 352.239 3.010 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC000238078125 497337026 /nfs/dbraw/zinc/33/70/26/497337026.db2.gz STEHJAVMPDBSTC-JTQLQIEISA-N -1 0 356.300 3.003 50 0 FGAARM O=C([O-])[C@H]1CCCN1CC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 ZINC000238090683 497338437 /nfs/dbraw/zinc/33/84/37/497338437.db2.gz BCUSWHSGNSHBRE-GOSISDBHSA-N -1 0 362.445 3.036 50 0 FGAARM O=C([O-])C[C@@H]1CN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CCO1 ZINC000238193353 497346886 /nfs/dbraw/zinc/34/68/86/497346886.db2.gz ZMXRUEYKQCKJMY-GFCCVEGCSA-N -1 0 360.237 3.018 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC000261874078 497465831 /nfs/dbraw/zinc/46/58/31/497465831.db2.gz STEHJAVMPDBSTC-SNVBAGLBSA-N -1 0 356.300 3.003 50 0 FGAARM O=C([O-])c1ccc(CC(=O)N2CCO[C@H](c3ccccc3Cl)C2)cc1 ZINC000263306640 497754421 /nfs/dbraw/zinc/75/44/21/497754421.db2.gz FKKCAGVCBIOWRM-KRWDZBQOSA-N -1 0 359.809 3.181 50 0 FGAARM CC1(C)CC(=O)c2cc(NC(=O)NC3CCC(C(=O)[O-])CC3)ccc2O1 ZINC000572262307 505928713 /nfs/dbraw/zinc/92/87/13/505928713.db2.gz JOGZJAJAHFCWCO-UHFFFAOYSA-N -1 0 360.410 3.195 50 0 FGAARM Cc1sc([C@@H]2CCCN2c2nc3ccccc3c(=O)[nH]2)nc1C(=O)[O-] ZINC000578511209 505957409 /nfs/dbraw/zinc/95/74/09/505957409.db2.gz KSQPBEODFFWULZ-LBPRGKRZSA-N -1 0 356.407 3.140 50 0 FGAARM O=C(CCC1CCCCC1)Nc1nc2c(s1)C(=O)C[C@@H](C(=O)[O-])C2 ZINC000299759983 534333466 /nfs/dbraw/zinc/33/34/66/534333466.db2.gz SDILBIGNOAZGPI-NSHDSACASA-N -1 0 350.440 3.272 50 0 FGAARM O=C([O-])Cc1cc(OC(F)F)c(Br)cc1Br ZINC000263622960 534505529 /nfs/dbraw/zinc/50/55/29/534505529.db2.gz CLCIZCPNWBGVAN-UHFFFAOYSA-N -1 0 359.948 3.440 50 0 FGAARM CCOC(=O)c1csc(=NC(=O)c2nc(C)sc2-c2ccccc2)[n-]1 ZINC000079495210 521587211 /nfs/dbraw/zinc/58/72/11/521587211.db2.gz LMOPEFGJCMIKJT-UHFFFAOYSA-N -1 0 373.459 3.426 50 0 FGAARM CCCc1noc2nc(-c3ccco3)cc(C(=O)N3CCC[C@@H]3C(=O)[O-])c12 ZINC000299740865 528792850 /nfs/dbraw/zinc/79/28/50/528792850.db2.gz BUHQELVVOFGIMM-CQSZACIVSA-N -1 0 369.377 3.125 50 0 FGAARM COc1ccccc1-c1noc(-c2c([O-])c3ccc(F)cc3n(C)c2=O)n1 ZINC000101724899 570822405 /nfs/dbraw/zinc/82/24/05/570822405.db2.gz VLZCNDNIFQGBSA-UHFFFAOYSA-N -1 0 367.336 3.109 50 0 FGAARM Cc1ccc(OCCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000047933656 570932444 /nfs/dbraw/zinc/93/24/44/570932444.db2.gz AAKFCTHYAUOKSX-UHFFFAOYSA-N -1 0 355.419 3.115 50 0 FGAARM O=[S@@](c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1)C(F)(F)F ZINC000685939542 571099156 /nfs/dbraw/zinc/09/91/56/571099156.db2.gz JCKCTUZEQFTXGU-QFIPXVFZSA-N -1 0 367.345 3.254 50 0 FGAARM C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@H](C(=O)[O-])CO1 ZINC000306901929 571113775 /nfs/dbraw/zinc/11/37/75/571113775.db2.gz HKUVDADVQCWQEY-DJJJIMSYSA-N -1 0 367.401 3.109 50 0 FGAARM CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccc(C(=O)[O-])cc2)cc1 ZINC000252461956 571201761 /nfs/dbraw/zinc/20/17/61/571201761.db2.gz OQVXLGZDROOCKK-UHFFFAOYSA-N -1 0 354.406 3.211 50 0 FGAARM CN(CC1(CO)CCCC1)C(=O)c1ccc(-c2ccc(C(=O)[O-])cn2)cc1 ZINC000426379709 571216947 /nfs/dbraw/zinc/21/69/47/571216947.db2.gz LCXUOWLJJJKQEP-UHFFFAOYSA-N -1 0 368.433 3.072 50 0 FGAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)CCCCc3ccccc3)C2)n1 ZINC000426428463 571224143 /nfs/dbraw/zinc/22/41/43/571224143.db2.gz YQGDHQDWSGBATH-SFHVURJKSA-N -1 0 369.465 3.087 50 0 FGAARM O=C([O-])C1(NC(=O)N2CCCC[C@H]2c2nc3cc(F)ccc3[nH]2)CCCC1 ZINC000670444892 571350413 /nfs/dbraw/zinc/35/04/13/571350413.db2.gz JBHNERRBSYFYGE-HNNXBMFYSA-N -1 0 374.416 3.336 50 0 FGAARM CC1(C)C[C@H](NC(=O)c2ccccc2[N-]S(C)(=O)=O)c2ccccc21 ZINC000134990803 704835633 /nfs/dbraw/zinc/83/56/33/704835633.db2.gz BWYXQISBBSUHRE-KRWDZBQOSA-N -1 0 358.463 3.211 50 0 FGAARM CC[C@@](CNC(=O)c1occc1Br)(C(=O)[O-])c1ccccc1 ZINC000262949980 713732217 /nfs/dbraw/zinc/73/22/17/713732217.db2.gz IBMGHMLBZZGONZ-INIZCTEOSA-N -1 0 366.211 3.205 50 0 FGAARM CSc1nnc2c(n1)O[C@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000000675534 219312094 /nfs/dbraw/zinc/31/20/94/219312094.db2.gz ZUBDWJHMUOOGAG-OAHLLOKOSA-N -1 0 366.402 3.462 50 0 FGAARM COc1cc([C@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)ccc1O ZINC000000754242 219318185 /nfs/dbraw/zinc/31/81/85/219318185.db2.gz GEWSBTVKGXQTRM-MRXNPFEDSA-N -1 0 361.419 3.035 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2nnc(C3CCCCC3)s2)cc1 ZINC000000792542 219321702 /nfs/dbraw/zinc/32/17/02/219321702.db2.gz IFTZQFKGQVJVGY-UHFFFAOYSA-N -1 0 353.469 3.395 50 0 FGAARM COc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)[O-])ccc3c2=O)cc1 ZINC000000956371 219346701 /nfs/dbraw/zinc/34/67/01/219346701.db2.gz BBKROEXOBAPZBP-NSHDSACASA-N -1 0 356.330 3.446 50 0 FGAARM O=C1[N-]C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000001053510 219359723 /nfs/dbraw/zinc/35/97/23/219359723.db2.gz XZDBJTNNGATGLY-NTEUORMPSA-N -1 0 373.206 3.208 50 0 FGAARM COc1ccc(CN2C(=O)[N-]C(=O)C(=Cc3ccc(F)cc3)C2=O)cc1 ZINC000001312187 219395074 /nfs/dbraw/zinc/39/50/74/219395074.db2.gz ULEAHZRFUXGMDE-MHWRWJLKSA-N -1 0 354.337 3.337 50 0 FGAARM O=C([O-])C1CCN(C(=O)c2ccccc2OCc2ccc(F)cc2)CC1 ZINC000238032449 222913525 /nfs/dbraw/zinc/91/35/25/222913525.db2.gz KNIZKPAXELIHOS-UHFFFAOYSA-N -1 0 357.381 3.342 50 0 FGAARM Cc1nc2sc3c(c2c([N-]S(=O)(=O)c2cccs2)n1)CCC3 ZINC000004001758 219532838 /nfs/dbraw/zinc/53/28/38/219532838.db2.gz LJSSHKUDUJYMCM-UHFFFAOYSA-N -1 0 351.478 3.351 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1cc(Br)ccc1OC ZINC000007053019 219790337 /nfs/dbraw/zinc/79/03/37/219790337.db2.gz POWQLUDROWTMGK-UHFFFAOYSA-N -1 0 372.240 3.267 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccc(Br)cc2)C1 ZINC000008699244 219866384 /nfs/dbraw/zinc/86/63/84/219866384.db2.gz MXJJJGPIDKFWKX-STQMWFEESA-N -1 0 370.243 3.484 50 0 FGAARM Cc1ccc(OCc2c(C(=O)[O-])c(=O)cc(C)n2Cc2ccccn2)cc1 ZINC000299797473 223101177 /nfs/dbraw/zinc/10/11/77/223101177.db2.gz OIHLRMHWNSEPPW-UHFFFAOYSA-N -1 0 364.401 3.186 50 0 FGAARM Cc1ccc(OCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)cc1 ZINC000013186022 220061379 /nfs/dbraw/zinc/06/13/79/220061379.db2.gz BBIJWOARQIIPHX-UHFFFAOYSA-N -1 0 353.418 3.019 50 0 FGAARM O=C([O-])[C@H]1CS[C@@H](c2cc(Br)c(Br)s2)N1 ZINC000013961491 220100272 /nfs/dbraw/zinc/10/02/72/220100272.db2.gz DYFPUYNDJFURLV-FBCQKBJTSA-N -1 0 373.091 3.061 50 0 FGAARM O=C([O-])COc1ccc(/C=C2\C(=O)Nc3ccc(Br)cc32)cc1 ZINC000015016130 220141247 /nfs/dbraw/zinc/14/12/47/220141247.db2.gz JVOSLALVPALDID-AUWJEWJLSA-N -1 0 374.190 3.405 50 0 FGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(-c3coc(C)n3)cc2)c1 ZINC000015941433 220172328 /nfs/dbraw/zinc/17/23/28/220172328.db2.gz LXBCRMUVYYXQKN-UHFFFAOYSA-N -1 0 374.418 3.468 50 0 FGAARM CCc1c(C)sc(NC(=O)CC2(CC(=O)[O-])CCCC2)c1C(N)=O ZINC000017073058 220202209 /nfs/dbraw/zinc/20/22/09/220202209.db2.gz KDYPSVRUNJECOP-UHFFFAOYSA-N -1 0 352.456 3.082 50 0 FGAARM COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@H]1C(=O)[O-] ZINC000017072898 220202290 /nfs/dbraw/zinc/20/22/90/220202290.db2.gz AOQDSNKPBOJULV-VXGBXAGGSA-N -1 0 351.424 3.229 50 0 FGAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000017073185 220202978 /nfs/dbraw/zinc/20/29/78/220202978.db2.gz KCDXUJUGJXTRCV-RYUDHWBXSA-N -1 0 353.440 3.451 50 0 FGAARM CCn1nc(C)c([N-]S(=O)(=O)c2ccc(Br)cc2)c1C 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Cc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C4CC4)o3)o2)cc1F ZINC000065246352 221187096 /nfs/dbraw/zinc/18/70/96/221187096.db2.gz LKGCILHTCKEAOJ-UHFFFAOYSA-N -1 0 363.370 3.455 50 0 FGAARM Cc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)Nc2ccc(C)cc2)cc1 ZINC000067245484 221249965 /nfs/dbraw/zinc/24/99/65/221249965.db2.gz DPUWMIWQJXMYSZ-UHFFFAOYSA-N -1 0 370.434 3.080 50 0 FGAARM O=C([O-])CSc1nnc(Cc2cccnc2)n1-c1cccc(Cl)c1 ZINC000067561771 221259556 /nfs/dbraw/zinc/25/95/56/221259556.db2.gz KMGARMBRQGBABB-UHFFFAOYSA-N -1 0 360.826 3.083 50 0 FGAARM C[C@@H](c1ccccc1)n1c(Cc2ccc(O)cc2)nnc1SCC(=O)[O-] ZINC000067673263 221268408 /nfs/dbraw/zinc/26/84/08/221268408.db2.gz RIBPUMKKZAIPJF-ZDUSSCGKSA-N -1 0 369.446 3.361 50 0 FGAARM CC(=O)Nc1cc(NC(=O)C[C@@H](C(=O)[O-])c2ccccc2)ccc1Cl ZINC000067988190 221313274 /nfs/dbraw/zinc/31/32/74/221313274.db2.gz DXRXDQFJHKFXTA-CQSZACIVSA-N -1 0 360.797 3.495 50 0 FGAARM CC(C)NC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1Cl ZINC000071285663 221338940 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CCCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000002027899 493800124 /nfs/dbraw/zinc/80/01/24/493800124.db2.gz JTFZNTRJANJBCV-UHFFFAOYSA-N -1 0 367.357 3.142 50 0 FGAARM O=C([O-])c1cccc(CN2C(=O)S/C(=C\c3ccc(O)cc3)C2=O)c1 ZINC000002184358 493802325 /nfs/dbraw/zinc/80/23/25/493802325.db2.gz GZWZNANZLNKEPK-DHDCSXOGSA-N -1 0 355.371 3.327 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2csc3c2CCCC3)c1 ZINC000028813249 493803107 /nfs/dbraw/zinc/80/31/07/493803107.db2.gz MDDYBZPPZWUZKU-UHFFFAOYSA-N -1 0 365.476 3.378 50 0 FGAARM O=C([O-])c1ccc(NC(=O)CSc2nnc(-c3cccnc3)s2)cc1 ZINC000002346020 493805895 /nfs/dbraw/zinc/80/58/95/493805895.db2.gz GUYCPRZZAYZCOF-UHFFFAOYSA-N -1 0 372.431 3.029 50 0 FGAARM Cn1ccnc1[C@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC000029080160 493814324 /nfs/dbraw/zinc/81/43/24/493814324.db2.gz UYCHRXCSECCZQG-MRXNPFEDSA-N -1 0 359.788 3.438 50 0 FGAARM Clc1ccccc1Cn1ccc([N-]c2nnc(Cn3cccn3)s2)n1 ZINC000002731381 493817511 /nfs/dbraw/zinc/81/75/11/493817511.db2.gz GZLHBKDCULGIMK-UHFFFAOYSA-N -1 0 371.857 3.425 50 0 FGAARM CC(C)C[C@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000003214850 493832388 /nfs/dbraw/zinc/83/23/88/493832388.db2.gz PEBVZFCOIPCAIO-SFHVURJKSA-N -1 0 357.406 3.473 50 0 FGAARM Cc1cccc(N[C@@H]2SC(=O)N(Cc3cccc(C(=O)[O-])c3)C2=O)c1 ZINC000004271919 493869974 /nfs/dbraw/zinc/86/99/74/493869974.db2.gz HTXBDZPDRAGMHK-OAHLLOKOSA-N -1 0 356.403 3.327 50 0 FGAARM COc1ccc(-c2cccc([N-]S(=O)(=O)c3ccc(C)s3)c2)nn1 ZINC000004320259 493872163 /nfs/dbraw/zinc/87/21/63/493872163.db2.gz MYOCXIKWJNTGDW-UHFFFAOYSA-N -1 0 361.448 3.323 50 0 FGAARM CC(C)=C1[C@@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(=O)[O-])c3)C(=O)[C@H]21 ZINC000004492388 493878602 /nfs/dbraw/zinc/87/86/02/493878602.db2.gz MUMUGSSTSUBRAT-OXUXUCFPSA-N -1 0 357.793 3.296 50 0 FGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000004483458 493878680 /nfs/dbraw/zinc/87/86/80/493878680.db2.gz XTGUJWGSUFYLCC-SJORKVTESA-N -1 0 368.824 3.396 50 0 FGAARM CCOC(=O)c1sc2[n-]c(=S)n(C(=O)c3ccccc3)c(=O)c2c1C ZINC000005071996 493912931 /nfs/dbraw/zinc/91/29/31/493912931.db2.gz SKBDZLQZFTZOAU-UHFFFAOYSA-N -1 0 374.443 3.294 50 0 FGAARM CC(C)C(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000005136598 493915883 /nfs/dbraw/zinc/91/58/83/493915883.db2.gz RPLZKROJONGLDZ-UHFFFAOYSA-N -1 0 364.492 3.484 50 0 FGAARM COc1ccc2c(CC(=O)OCc3nc(=O)c4sccc4[n-]3)coc2c1 ZINC000005173853 493917697 /nfs/dbraw/zinc/91/76/97/493917697.db2.gz SDKBKSSKIVZSCF-UHFFFAOYSA-N -1 0 370.386 3.025 50 0 FGAARM COc1ccc(-c2n[n-]c(=S)n2-c2ccc3c(c2)OCCO3)cc1OC ZINC000005796240 493942615 /nfs/dbraw/zinc/94/26/15/493942615.db2.gz BKKSNCRYGVQVQL-UHFFFAOYSA-N -1 0 371.418 3.385 50 0 FGAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005954331 493946786 /nfs/dbraw/zinc/94/67/86/493946786.db2.gz RCFBHZVJIMQOPR-NEPJUHHUSA-N -1 0 353.440 3.317 50 0 FGAARM Cc1cc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)ccc1Br ZINC000006316002 493958560 /nfs/dbraw/zinc/95/85/60/493958560.db2.gz 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CC[C@H](C)NC(=O)CCc1nnc(-c2cccc(O[C@@H](C)CC)c2)[n-]c1=O ZINC000034764950 494068213 /nfs/dbraw/zinc/06/82/13/494068213.db2.gz FNHWMJXMVHANDV-KBPBESRZSA-N -1 0 372.469 3.269 50 0 FGAARM O=C([O-])c1ccc(OCc2nnc(C(=O)Nc3ccccc3F)s2)cc1 ZINC000034927200 494070652 /nfs/dbraw/zinc/07/06/52/494070652.db2.gz LBQVXFAEOQZJRZ-UHFFFAOYSA-N -1 0 373.365 3.207 50 0 FGAARM CCOc1ccc(-c2ccnc(N(C)C[C@H]3CCCCO3)n2)cc1C(=O)[O-] ZINC000077379282 494071121 /nfs/dbraw/zinc/07/11/21/494071121.db2.gz XUSWPNIADDAVBH-OAHLLOKOSA-N -1 0 371.437 3.246 50 0 FGAARM CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)SCCCC(=O)[O-] ZINC000008383563 494088386 /nfs/dbraw/zinc/08/83/86/494088386.db2.gz YRBQDGKBEVHBMH-ZDUSSCGKSA-N -1 0 355.372 3.166 50 0 FGAARM O=C([O-])c1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccc(F)cc2)cc1 ZINC000036354598 494090000 /nfs/dbraw/zinc/09/00/00/494090000.db2.gz OESBZLKBBRDLEL-HNNXBMFYSA-N -1 0 351.337 3.184 50 0 FGAARM COc1ccc(-c2nnc(-c3cc(Br)ccc3N)[n-]c2=O)cc1 ZINC000071922016 494108409 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3.072 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cc2ccc(F)cc2F)CC1 ZINC000238004351 222912833 /nfs/dbraw/zinc/91/28/33/222912833.db2.gz QESSLEBMTQTBMO-UHFFFAOYSA-N -1 0 359.372 3.152 50 0 FGAARM O=C([O-])c1ccccc1NC(=O)COc1ccc(Br)cc1 ZINC000002829762 219469233 /nfs/dbraw/zinc/46/92/33/219469233.db2.gz OQYSIIFSQXPEMN-UHFFFAOYSA-N -1 0 350.168 3.165 50 0 FGAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000004483704 219577957 /nfs/dbraw/zinc/57/79/57/219577957.db2.gz YMUXSEKJEDEULK-CVEARBPZSA-N -1 0 354.797 3.142 50 0 FGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(Cl)c2)cc1OC ZINC000004600842 219590719 /nfs/dbraw/zinc/59/07/19/219590719.db2.gz BEYCNERVVRAQAS-AWEZNQCLSA-N -1 0 363.797 3.303 50 0 FGAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1 ZINC000004722002 219600266 /nfs/dbraw/zinc/60/02/66/219600266.db2.gz KJQRYVOOUYQWOG-KRWDZBQOSA-N -1 0 353.374 3.286 50 0 FGAARM O=S(=O)([N-]c1cc(-c2nc[nH]n2)ccc1F)c1c(F)cccc1Cl ZINC000328594293 223115755 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O=C(c1csc(S(=O)(=O)[N-]c2ccccc2F)c1)N1CCCCC1 ZINC000035405163 494076515 /nfs/dbraw/zinc/07/65/15/494076515.db2.gz JRKGDJVUDJDONN-UHFFFAOYSA-N -1 0 368.455 3.314 50 0 FGAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2ccccc2F)n1)c1ccccc1 ZINC000036576601 494092709 /nfs/dbraw/zinc/09/27/09/494092709.db2.gz GLWBCNUUZCUGIO-KRWDZBQOSA-N -1 0 370.405 3.434 50 0 FGAARM COc1ccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c2ccccc12 ZINC000008715820 494101516 /nfs/dbraw/zinc/10/15/16/494101516.db2.gz JZHNKEXLWCIYFC-UHFFFAOYSA-N -1 0 357.387 3.347 50 0 FGAARM O=C([O-])c1ccc(NC(=O)CSc2nc3cc(Cl)cnc3[nH]2)cc1 ZINC000038199270 494112890 /nfs/dbraw/zinc/11/28/90/494112890.db2.gz HIPUXFYQWYKHIQ-UHFFFAOYSA-N -1 0 362.798 3.040 50 0 FGAARM C[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)Cc2cc(Cl)ccc2C(=O)O1 ZINC000009487805 494125375 /nfs/dbraw/zinc/12/53/75/494125375.db2.gz SEIYYHOIHAIHFH-SFHVURJKSA-N -1 0 359.765 3.149 50 0 FGAARM C[C@H]1Cc2ccccc2N1C(=O)CSCc1nc(=O)c2sccc2[n-]1 ZINC000009608715 494128710 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CCn1cc(S(=O)(=O)[N-]c2cc(Cc3ccccc3)ccc2O)cn1 ZINC000072312879 494150904 /nfs/dbraw/zinc/15/09/04/494150904.db2.gz NNZRJTJJDOMMIN-UHFFFAOYSA-N -1 0 357.435 3.000 50 0 FGAARM CCCn1cc(C(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c(C)n1 ZINC000072448086 494176316 /nfs/dbraw/zinc/17/63/16/494176316.db2.gz SHDQZSVAKHNCEN-INIZCTEOSA-N -1 0 355.438 3.005 50 0 FGAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2ccc(F)c(F)c2)c1=O ZINC000065215444 494179909 /nfs/dbraw/zinc/17/99/09/494179909.db2.gz GMLLUDJUEVXPLX-UHFFFAOYSA-N -1 0 350.346 3.319 50 0 FGAARM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cccc(Cl)c3Cl)cc12 ZINC000012560601 494243005 /nfs/dbraw/zinc/24/30/05/494243005.db2.gz COFFDNUSCNIZLX-UHFFFAOYSA-N -1 0 371.249 3.384 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2ccc3cnn(C(C)C)c3c2)cc1C(=O)[O-] ZINC000078726072 494349234 /nfs/dbraw/zinc/34/92/34/494349234.db2.gz NAMZRLQALIZYMC-UHFFFAOYSA-N -1 0 373.434 3.425 50 0 FGAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2Br)c(F)c1 ZINC000078938491 494381519 /nfs/dbraw/zinc/38/15/19/494381519.db2.gz NNPGHTMBXLTIGW-UHFFFAOYSA-N -1 0 374.187 3.087 50 0 FGAARM CC(C)N1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000045923004 494475402 /nfs/dbraw/zinc/47/54/02/494475402.db2.gz ABZPCBFILWMKGA-ROUUACIJSA-N -1 0 353.374 3.189 50 0 FGAARM O=c1c2[n-][nH]n(-c3ccc(Cl)cc3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000023126622 494550679 /nfs/dbraw/zinc/55/06/79/494550679.db2.gz BQTUJOWSIKHHNV-SJORKVTESA-N -1 0 366.808 3.327 50 0 FGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(Cl)cc1Cl ZINC000023711318 494577078 /nfs/dbraw/zinc/57/70/78/494577078.db2.gz JETWTLYFLJDCPO-UHFFFAOYSA-N -1 0 373.261 3.295 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(-n3cccc3)cc2)c1 ZINC000024153273 494610427 /nfs/dbraw/zinc/61/04/27/494610427.db2.gz RAJPQKLECTWJGD-UHFFFAOYSA-N -1 0 370.430 3.229 50 0 FGAARM CN(C)c1ccc(CCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cc1 ZINC000091550381 494613870 /nfs/dbraw/zinc/61/38/70/494613870.db2.gz WHXSXEQLNAPLIO-VQTJNVASSA-N -1 0 366.461 3.012 50 0 FGAARM Cc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3C)c[nH]2)o1 ZINC000075427894 494761500 /nfs/dbraw/zinc/76/15/00/494761500.db2.gz LCZHHMROIHDYGA-UHFFFAOYSA-N -1 0 352.803 3.136 50 0 FGAARM COc1ccccc1CN1CCN([C@@H](C(=O)[O-])c2cccc(C)c2F)CC1 ZINC000095373157 494967459 /nfs/dbraw/zinc/96/74/59/494967459.db2.gz BMKYMHOXSFBOON-HXUWFJFHSA-N -1 0 372.440 3.086 50 0 FGAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)no1 ZINC000095378472 494970039 /nfs/dbraw/zinc/97/00/39/494970039.db2.gz YXAWBIAOOBXJGH-ZDUSSCGKSA-N -1 0 356.300 3.202 50 0 FGAARM COc1ccc(-c2nn3c(nccc3-c3c([O-])cc(C)oc3=O)c2C)cc1 ZINC000095480303 494979564 /nfs/dbraw/zinc/97/95/64/494979564.db2.gz BBNPVZAZTWTAIB-UHFFFAOYSA-N -1 0 363.373 3.348 50 0 FGAARM COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccc2oc(C)cc2c1 ZINC000095512455 494984388 /nfs/dbraw/zinc/98/43/88/494984388.db2.gz MGAWKSCHXKJIQZ-UHFFFAOYSA-N -1 0 353.374 3.477 50 0 FGAARM CC(C)(C)[C@@H](NC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000095970078 494993241 /nfs/dbraw/zinc/99/32/41/494993241.db2.gz SVSVCZNWFVPXMZ-AWEZNQCLSA-N -1 0 350.802 3.153 50 0 FGAARM CCc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000095991821 494993813 /nfs/dbraw/zinc/99/38/13/494993813.db2.gz MXTKFUOUSPYVRF-GFCCVEGCSA-N -1 0 357.431 3.088 50 0 FGAARM Cc1ccc(OCc2ccc(C(=O)N3CCC[C@H](C(=O)[O-])C3)o2)c(C)c1 ZINC000136154704 495359916 /nfs/dbraw/zinc/35/99/16/495359916.db2.gz LTDCRQICUYFHIX-HNNXBMFYSA-N -1 0 357.406 3.412 50 0 FGAARM CCOc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@H]32)ccc1OCC(=O)[O-] ZINC000268875228 496812065 /nfs/dbraw/zinc/81/20/65/496812065.db2.gz APMUIKKXTLTWEB-IJEWVQPXSA-N -1 0 361.438 3.342 50 0 FGAARM COC(=O)C[C@@H](c1ccc(C(C)C)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205947386 496973742 /nfs/dbraw/zinc/97/37/42/496973742.db2.gz RSXPPMRHMYDTRI-INIZCTEOSA-N -1 0 366.417 3.219 50 0 FGAARM COc1ccc(NC=C2C(=O)c3ccccc3O[C@@H]2SCC(=O)[O-])cc1 ZINC000211003268 496976337 /nfs/dbraw/zinc/97/63/37/496976337.db2.gz MXFHFAQINSEJOG-JVVYVMHDSA-N -1 0 371.414 3.410 50 0 FGAARM COc1cc(OC)cc(-c2nc(SCc3ccc(C(=O)[O-])o3)n[nH]2)c1 ZINC000220962230 497017770 /nfs/dbraw/zinc/01/77/70/497017770.db2.gz HVHSJXGJWVIXKH-UHFFFAOYSA-N -1 0 361.379 3.072 50 0 FGAARM C/C(=C/C(=O)N(CC(=O)[O-])C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000236617731 497121940 /nfs/dbraw/zinc/12/19/40/497121940.db2.gz UJRFZWVMWIILJJ-XFXZXTDPSA-N -1 0 371.355 3.201 50 0 FGAARM CC(C)c1ccc(-c2noc(CCC(=O)N3CCC[C@@H](C(=O)[O-])C3)n2)cc1 ZINC000236853107 497156998 /nfs/dbraw/zinc/15/69/98/497156998.db2.gz JXLTWOXUGXGOQX-MRXNPFEDSA-N -1 0 371.437 3.116 50 0 FGAARM COCc1c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)sc2cccc(F)c21 ZINC000237184695 497202092 /nfs/dbraw/zinc/20/20/92/497202092.db2.gz AVPCJOWWHIPQHZ-QGZVFWFLSA-N -1 0 351.399 3.124 50 0 FGAARM COc1ccc(-c2ccc(C(=O)N3CCC(C(=O)[O-])CC3)c(F)c2)cc1 ZINC000237413005 497232828 /nfs/dbraw/zinc/23/28/28/497232828.db2.gz QNYYAZXGGLVLCR-UHFFFAOYSA-N -1 0 357.381 3.438 50 0 FGAARM C[C@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237415224 497233414 /nfs/dbraw/zinc/23/34/14/497233414.db2.gz BPABGSOCQOHKPV-WYVULQQZSA-N -1 0 351.449 3.017 50 0 FGAARM COc1ccc(-n2c(CN3CCC[C@@H]3C(=O)[O-])nc3ccccc32)cc1 ZINC000237444184 497237712 /nfs/dbraw/zinc/23/77/12/497237712.db2.gz WIPJLZHEMBKIBE-GOSISDBHSA-N -1 0 351.406 3.083 50 0 FGAARM C[C@@H]1CCC[C@@H](OCC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)C1 ZINC000237506081 497248191 /nfs/dbraw/zinc/24/81/91/497248191.db2.gz ZKVVQDIAXKRUIV-SJLPKXTDSA-N -1 0 359.466 3.227 50 0 FGAARM Cc1cc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1Br ZINC000237600404 497261297 /nfs/dbraw/zinc/26/12/97/497261297.db2.gz MZRSUPSPOWDHKS-INIZCTEOSA-N -1 0 354.244 3.013 50 0 FGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3ccccc3Cl)n2)C1 ZINC000237663257 497272122 /nfs/dbraw/zinc/27/21/22/497272122.db2.gz WMFAOTAQYXPZSP-MRXNPFEDSA-N -1 0 350.827 3.400 50 0 FGAARM Cc1cccc(OCC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c1 ZINC000237696109 497277101 /nfs/dbraw/zinc/27/71/01/497277101.db2.gz DFAJPYDUXXERNL-UHFFFAOYSA-N -1 0 363.360 3.156 50 0 FGAARM Cc1noc2nc(C3CC3)cc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)c12 ZINC000237746920 497286730 /nfs/dbraw/zinc/28/67/30/497286730.db2.gz YSIBFAHCGCFLKX-KCXAZCMYSA-N -1 0 369.421 3.267 50 0 FGAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000237994334 497325413 /nfs/dbraw/zinc/32/54/13/497325413.db2.gz FARDRWMVKUNLBR-QGZVFWFLSA-N -1 0 354.406 3.105 50 0 FGAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cc(Cl)sc1Cl ZINC000238105676 497340768 /nfs/dbraw/zinc/34/07/68/497340768.db2.gz VSAMHVXAPPWPKU-MRVPVSSYSA-N -1 0 352.239 3.151 50 0 FGAARM O=C([O-])c1cccc(C(=O)NCC2(c3ccc(F)cc3)CCOCC2)c1 ZINC000238207675 497347073 /nfs/dbraw/zinc/34/70/73/497347073.db2.gz SNJSFCJUBLKKBK-UHFFFAOYSA-N -1 0 357.381 3.002 50 0 FGAARM Cc1nc(Cc2ccccc2)sc1C(=O)N1CCC(CC(=O)[O-])CC1 ZINC000262375867 497546039 /nfs/dbraw/zinc/54/60/39/497546039.db2.gz BPWCKHMQXOAVCN-UHFFFAOYSA-N -1 0 358.463 3.369 50 0 FGAARM O=C([O-])[C@H](NC(=O)CC1CC(c2ccccc2)C1)c1ccc2c(c1)CCO2 ZINC000262926690 497658071 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3.436 50 0 FGAARM N[C@H](CCCCC(=O)[O-])C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000079670055 527383824 /nfs/dbraw/zinc/38/38/24/527383824.db2.gz UJUWBWQRBQCYLG-LJQANCHMSA-N -1 0 353.418 3.314 50 0 FGAARM C[C@H]1OCCN(C(=O)OCC2c3ccccc3-c3ccccc32)[C@@H]1C(=O)[O-] ZINC000197984677 570945616 /nfs/dbraw/zinc/94/56/16/570945616.db2.gz FARPCFHIMBUWFB-YJYMSZOUSA-N -1 0 367.401 3.109 50 0 FGAARM CC[C@H](C)n1ncc(C(=O)NCc2cccc(OCC(=O)[O-])c2)c1C1CC1 ZINC000191002594 571177264 /nfs/dbraw/zinc/17/72/64/571177264.db2.gz CBWBANGXLLAASZ-ZDUSSCGKSA-N -1 0 371.437 3.125 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)N2CCC[C@H]2c2ccco2)c(Cl)cc1F ZINC000185146614 712686179 /nfs/dbraw/zinc/68/61/79/712686179.db2.gz NPXWCKXLXGIVHY-LBPRGKRZSA-N -1 0 373.789 3.296 50 0 FGAARM O=C([O-])CSc1nnc2c3ccccc3n(Cc3ccccc3)c2n1 ZINC000000172062 219305354 /nfs/dbraw/zinc/30/53/54/219305354.db2.gz LYFWQYDKDTVARC-UHFFFAOYSA-N -1 0 350.403 3.205 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000000794635 219321260 /nfs/dbraw/zinc/32/12/60/219321260.db2.gz VDZNFNDMTIDYPK-DLBZAZTESA-N -1 0 358.438 3.142 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000000850864 219331131 /nfs/dbraw/zinc/33/11/31/219331131.db2.gz UHDDKKWTAXYESM-UHFFFAOYSA-N -1 0 354.387 3.215 50 0 FGAARM O=C([O-])CN1C(=O)Nc2ccc(Br)cc2[C@@H]1c1ccccc1 ZINC000000845387 219330177 /nfs/dbraw/zinc/33/01/77/219330177.db2.gz KIGAQBWTEAOVHD-HNNXBMFYSA-N -1 0 361.195 3.471 50 0 FGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(OC)c(OC)c1 ZINC000000885130 219336935 /nfs/dbraw/zinc/33/69/35/219336935.db2.gz FCTLJAJEOWDORU-UHFFFAOYSA-N -1 0 357.815 3.167 50 0 FGAARM CCC[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000917500 219340395 /nfs/dbraw/zinc/34/03/95/219340395.db2.gz GTRUDIAWQRMQQY-LLVKDONJSA-N -1 0 353.469 3.319 50 0 FGAARM Cc1cc(Br)ccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000001207164 219388300 /nfs/dbraw/zinc/38/83/00/219388300.db2.gz BEFOTYUKOJBOMC-UHFFFAOYSA-N -1 0 360.163 3.256 50 0 FGAARM CC[C@H](C)[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC000001210704 219389471 /nfs/dbraw/zinc/38/94/71/219389471.db2.gz JSYWEFSXSAYLEY-SUMWQHHRSA-N -1 0 354.406 3.168 50 0 FGAARM C[C@@H](CN(C(=O)c1[nH]c2ccccc2c1Br)C1CC1)C(=O)[O-] ZINC000237467548 222908906 /nfs/dbraw/zinc/90/89/06/222908906.db2.gz SZUJQNHRWMUTQY-VIFPVBQESA-N -1 0 365.227 3.256 50 0 FGAARM COc1ccc(Br)cc1C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000002881513 219472999 /nfs/dbraw/zinc/47/29/99/219472999.db2.gz DMXLKUWNOTYGAU-UHFFFAOYSA-N -1 0 364.195 3.337 50 0 FGAARM Cn1cc(Br)c(-c2cccc(NC(=O)CCCC(=O)[O-])c2)n1 ZINC000004324708 219565845 /nfs/dbraw/zinc/56/58/45/219565845.db2.gz XTPPEFQTKLHVOK-UHFFFAOYSA-N -1 0 366.215 3.043 50 0 FGAARM CCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2cccc(C)c2)cc1OC ZINC000004580668 219589488 /nfs/dbraw/zinc/58/94/88/219589488.db2.gz YIVNIWVVIQIGNZ-INIZCTEOSA-N -1 0 357.406 3.348 50 0 FGAARM O=C([O-])c1ccccc1NC(=O)c1cccc(NC(=O)C(F)(F)F)c1 ZINC000005583858 219690793 /nfs/dbraw/zinc/69/07/93/219690793.db2.gz 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O=C([O-])COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000016906514 220197168 /nfs/dbraw/zinc/19/71/68/220197168.db2.gz AWXAXFTVRICYET-MHWRWJLKSA-N -1 0 369.398 3.387 50 0 FGAARM CCC[C@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(N)=O)C1 ZINC000017075273 220204317 /nfs/dbraw/zinc/20/43/17/220204317.db2.gz CORHTZRZWXUPEC-MNOVXSKESA-N -1 0 366.483 3.191 50 0 FGAARM CCc1ccccc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019790447 220297077 /nfs/dbraw/zinc/29/70/77/220297077.db2.gz OOADHYFCDHSJRX-MRXNPFEDSA-N -1 0 355.415 3.371 50 0 FGAARM CC[C@@H](C)[C@H](NC(=O)Cc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000020732885 220339961 /nfs/dbraw/zinc/33/99/61/220339961.db2.gz LIZZHZIDVLGORR-BMIGLBTASA-N -1 0 350.415 3.107 50 0 FGAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3ccc(F)cc3)c2=O)sc1C ZINC000021802344 220367224 /nfs/dbraw/zinc/36/72/24/220367224.db2.gz LHVKFPRCAGDTRG-UHFFFAOYSA-N -1 0 360.414 3.280 50 0 FGAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)CC1 ZINC000031865197 220648283 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CCS(=O)(=O)Nc1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1OC ZINC000058244026 221110365 /nfs/dbraw/zinc/11/03/65/221110365.db2.gz KIYRQMMKSLWVNP-UHFFFAOYSA-N -1 0 373.434 3.190 50 0 FGAARM O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@@H]2c1cccnc1 ZINC000061720479 221135898 /nfs/dbraw/zinc/13/58/98/221135898.db2.gz BPQWMDFSWIGJIT-GFCCVEGCSA-N -1 0 351.337 3.184 50 0 FGAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2C)s1 ZINC000065183728 221175527 /nfs/dbraw/zinc/17/55/27/221175527.db2.gz SGHUKLPKZDTLRO-UHFFFAOYSA-N -1 0 370.887 3.424 50 0 FGAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2cc(Cl)ccc2C)s1 ZINC000065183579 221175676 /nfs/dbraw/zinc/17/56/76/221175676.db2.gz HVBKVXOSGRCCMQ-UHFFFAOYSA-N -1 0 356.860 3.170 50 0 FGAARM CCc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccccc1F ZINC000065183987 221176097 /nfs/dbraw/zinc/17/60/97/221176097.db2.gz WJSYDQWMTMCCGA-UHFFFAOYSA-N -1 0 368.459 3.417 50 0 FGAARM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cc2C1 ZINC000065196118 221178710 /nfs/dbraw/zinc/17/87/10/221178710.db2.gz 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FGAARM CC(C)[C@H](NC(=O)CCn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040310106 220899728 /nfs/dbraw/zinc/89/97/28/220899728.db2.gz IAYOTZCRKIBWCH-HNNXBMFYSA-N -1 0 367.243 3.019 50 0 FGAARM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCCC2)cs1 ZINC000045961619 220977220 /nfs/dbraw/zinc/97/72/20/220977220.db2.gz RYIKUJZZRKLQEI-UHFFFAOYSA-N -1 0 364.492 3.483 50 0 FGAARM CCCNC(=O)c1ccc(Cl)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000055150466 221059748 /nfs/dbraw/zinc/05/97/48/221059748.db2.gz ZIUCUOVRLHHFDK-CHWSQXEVSA-N -1 0 364.829 3.085 50 0 FGAARM CC(C)(C)C[C@H](NC(=O)c1ccccc1NCC(=O)[O-])c1cccnc1 ZINC000055342858 221067287 /nfs/dbraw/zinc/06/72/87/221067287.db2.gz JJWFXKOGMUHNDI-KRWDZBQOSA-N -1 0 355.438 3.485 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cccc(Cl)c1N(C)C ZINC000058190512 221104181 /nfs/dbraw/zinc/10/41/81/221104181.db2.gz QQSHFHARXQSDDG-UHFFFAOYSA-N -1 0 368.842 3.213 50 0 FGAARM COc1ccc(C[C@H](C(=O)Nc2ccc(C(C)C)cc2)c2nnn[n-]2)cc1 ZINC000057525312 221090264 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COc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000299745624 533526051 /nfs/dbraw/zinc/52/60/51/533526051.db2.gz RMFWRDPPXBZOEK-NRFANRHFSA-N -1 0 369.417 3.211 50 0 FGAARM CCCc1cnc(C)nc1N1CCC(C[C@H]2CCCCO2)(C(=O)[O-])CC1 ZINC000071774750 136141086 /nfs/dbraw/zinc/14/10/86/136141086.db2.gz SECZECAHPRZJRY-QGZVFWFLSA-N -1 0 361.486 3.368 50 0 FGAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(C)ccc2C)o1 ZINC000075504911 221583599 /nfs/dbraw/zinc/58/35/99/221583599.db2.gz WOZIMTJJFGEINS-UHFFFAOYSA-N -1 0 360.439 3.408 50 0 FGAARM Cc1ccc(C)c(-n2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000096500374 222122554 /nfs/dbraw/zinc/12/25/54/222122554.db2.gz URVULCJWMOZXJA-CVEARBPZSA-N -1 0 354.797 3.455 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)Nc3ccccc3COC)cc2[n-]c1=S ZINC000103469688 222336738 /nfs/dbraw/zinc/33/67/38/222336738.db2.gz BXDLLSOFXHXEFL-UHFFFAOYSA-N -1 0 369.446 3.104 50 0 FGAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)NC(C)C ZINC000101505728 222276758 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355.803 3.002 50 0 FGAARM Cn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2ccsc2c(=O)[nH]1 ZINC000009458368 494125019 /nfs/dbraw/zinc/12/50/19/494125019.db2.gz OURPKLXBUOEWPF-UHFFFAOYSA-N -1 0 369.377 3.066 50 0 FGAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(OC[C@H]2CCCO2)c1 ZINC000040158895 494138974 /nfs/dbraw/zinc/13/89/74/494138974.db2.gz YYGBHXSRHGNVAH-QGZVFWFLSA-N -1 0 355.390 3.124 50 0 FGAARM Cc1cc2occ(CC(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c2cc1C ZINC000072427682 494171610 /nfs/dbraw/zinc/17/16/10/494171610.db2.gz WWAQFGPKRXYHBE-GOSISDBHSA-N -1 0 351.402 3.404 50 0 FGAARM CN(Cc1ccc2ccccc2n1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072473336 494178927 /nfs/dbraw/zinc/17/89/27/494178927.db2.gz YDBXGVSATACUSP-UHFFFAOYSA-N -1 0 371.400 3.421 50 0 FGAARM O=S(=O)([N-]c1cccn2nc(C3CCC3)nc12)c1ccccc1Cl ZINC000065284025 494185975 /nfs/dbraw/zinc/18/59/75/494185975.db2.gz MWKRRRHTVSSSBC-UHFFFAOYSA-N -1 0 362.842 3.451 50 0 FGAARM COc1ccc2c(c1)CCCN2C(=O)CSc1ccccc1C(=O)[O-] ZINC000012978323 494272741 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3.153 50 0 FGAARM O=C([O-])[C@H](Cc1ccnc2ccccc12)NC(=O)OCc1ccccc1 ZINC000095635204 494989405 /nfs/dbraw/zinc/98/94/05/494989405.db2.gz KNXITQQCUDFNSZ-SFHVURJKSA-N -1 0 350.374 3.157 50 0 FGAARM CC(=O)c1cccc(OCCCC(=O)Nc2cccc(CC(=O)[O-])c2)c1 ZINC000095971416 494993040 /nfs/dbraw/zinc/99/30/40/494993040.db2.gz LLBMLCJGEADENG-UHFFFAOYSA-N -1 0 355.390 3.314 50 0 FGAARM CCc1ccc([C@@H]2CCCCN2CC2=Nc3ccccc3S(=O)(=O)[N-]2)o1 ZINC000124853860 495354824 /nfs/dbraw/zinc/35/48/24/495354824.db2.gz SGTTWRHGECLPHD-INIZCTEOSA-N -1 0 373.478 3.391 50 0 FGAARM O=S(=O)([N-]c1nc2ccccc2[nH]1)c1cccc(Br)c1 ZINC000105781624 495393635 /nfs/dbraw/zinc/39/36/35/495393635.db2.gz CMXMJRYOAXMUJG-UHFFFAOYSA-N -1 0 352.213 3.126 50 0 FGAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCCCc1ccccc1)c3[O-] ZINC000170624730 495537087 /nfs/dbraw/zinc/53/70/87/495537087.db2.gz RTGBRBDLBNIAOB-CQSZACIVSA-N -1 0 362.429 3.187 50 0 FGAARM O=C([O-])[C@H](NC(=O)Nc1cccc(-c2cccs2)c1)[C@H]1CCCOC1 ZINC000225487622 497064986 /nfs/dbraw/zinc/06/49/86/497064986.db2.gz WKLIDSHMWRQWAR-XJKSGUPXSA-N -1 0 360.435 3.416 50 0 FGAARM Cc1c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cnn1-c1ccccc1F ZINC000237739336 497284136 /nfs/dbraw/zinc/28/41/36/497284136.db2.gz BJWZVSRUVSRBTK-CQSZACIVSA-N -1 0 359.401 3.179 50 0 FGAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ncoc1-c1cccs1 ZINC000238041196 497331405 /nfs/dbraw/zinc/33/14/05/497331405.db2.gz MQVPUJMHWJVFCX-CYBMUJFWSA-N -1 0 354.387 3.055 50 0 FGAARM O=C([O-])CCN(C(=O)Cc1ccc(Cl)c(Cl)c1)C1CCOCC1 ZINC000238065510 497335237 /nfs/dbraw/zinc/33/52/37/497335237.db2.gz QXYLUSGRFNVMOR-UHFFFAOYSA-N -1 0 360.237 3.018 50 0 FGAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)Cc2ccc(Cl)cc2Cl)C1 ZINC000261671449 497430609 /nfs/dbraw/zinc/43/06/09/497430609.db2.gz HEEJQERIKYRINU-CYBMUJFWSA-N -1 0 370.154 3.402 50 0 FGAARM CC(C)(C(=O)[O-])n1cc(NC(=O)C2(c3ccccc3F)CCCC2)cn1 ZINC000262694681 497601703 /nfs/dbraw/zinc/60/17/03/497601703.db2.gz DGDORJYQFILQMM-UHFFFAOYSA-N -1 0 359.401 3.292 50 0 FGAARM CC(C)(C)c1nc(=NC(=O)NCCc2csc(C(C)(C)C)n2)s[n-]1 ZINC000332364589 498663852 /nfs/dbraw/zinc/66/38/52/498663852.db2.gz YVJGRXZGUDIBFC-UHFFFAOYSA-N -1 0 367.544 3.376 50 0 FGAARM O=C([O-])Cc1cc(Br)cc(Br)c1OC(F)F ZINC000263624562 534506121 /nfs/dbraw/zinc/50/61/21/534506121.db2.gz RPMRZEADZUWRHE-UHFFFAOYSA-N -1 0 359.948 3.440 50 0 FGAARM CCOC(=O)c1sc(NC(=O)[C@@H]2CC[C@](C)(C(=O)[O-])C2(C)C)nc1C ZINC000390834844 521614029 /nfs/dbraw/zinc/61/40/29/521614029.db2.gz HIZDGKCPMNLOPJ-DYZYQPBXSA-N -1 0 368.455 3.094 50 0 FGAARM COc1cccc(-c2nc(CC(=O)NCCCCCC(=O)[O-])cs2)c1 ZINC000020724113 525722250 /nfs/dbraw/zinc/72/22/50/525722250.db2.gz TWKGCXJLYGIYTD-UHFFFAOYSA-N -1 0 362.451 3.122 50 0 FGAARM CCOc1ccc(Cc2c([O-])[nH]c(=O)n(-c3ccc(CC)cc3)c2=O)cc1 ZINC000001067965 535729165 /nfs/dbraw/zinc/72/91/65/535729165.db2.gz YOJVLLAPQLGQGQ-SFHVURJKSA-N -1 0 366.417 3.089 50 0 FGAARM Cc1nc(C(F)(F)F)ccc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653332636 568342929 /nfs/dbraw/zinc/34/29/29/568342929.db2.gz GKZRZGGATAWVFU-KGLIPLIRSA-N -1 0 364.323 3.452 50 0 FGAARM O=C(Nc1ccc(Br)cc1)C([O-])=C1C(=O)Nc2ccccc21 ZINC000101078104 570805272 /nfs/dbraw/zinc/80/52/72/570805272.db2.gz QGJIECFDKLFURS-BUHFOSPRSA-N -1 0 359.179 3.309 50 0 FGAARM O=C([O-])c1conc1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000307477333 571115246 /nfs/dbraw/zinc/11/52/46/571115246.db2.gz VHTXWWORPPZGEC-UHFFFAOYSA-N -1 0 364.357 3.412 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)O[C@H](C3CC3)C(F)(F)F)cc2[n-]c1=S ZINC000122989994 571183119 /nfs/dbraw/zinc/18/31/19/571183119.db2.gz RXOLXXTULOBBMJ-GFCCVEGCSA-N -1 0 372.368 3.203 50 0 FGAARM C[C@](COc1ccccc1)(NC(=O)c1cnc(-c2ccoc2)s1)C(=O)[O-] ZINC000170044588 571261115 /nfs/dbraw/zinc/26/11/15/571261115.db2.gz AWUXZQCYBSRFJE-GOSISDBHSA-N -1 0 372.402 3.055 50 0 FGAARM CCOc1cc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc(Cl)c1OC ZINC000033662761 695751305 /nfs/dbraw/zinc/75/13/05/695751305.db2.gz OFWWFHFPEFFJIX-KPKJPENVSA-N -1 0 369.830 3.392 50 0 FGAARM Cc1nn(C)c2sc(C(=O)N[C@H](C(=O)[O-])c3cc(C)cc(C)c3)cc12 ZINC000262996536 713733140 /nfs/dbraw/zinc/73/31/40/713733140.db2.gz KLJMZHANMOEHJV-HNNXBMFYSA-N -1 0 357.435 3.116 50 0 FGAARM O=C([O-])c1ccccc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000000628477 219306842 /nfs/dbraw/zinc/30/68/42/219306842.db2.gz QXDBEPZZJNCTPC-UHFFFAOYSA-N -1 0 359.809 3.162 50 0 FGAARM CCc1cc(C(=O)[O-])c(NC(=O)c2cc(OC)c(OC)c(OC)c2)s1 ZINC000000798287 219322231 /nfs/dbraw/zinc/32/22/31/219322231.db2.gz JNFAYUSWFNGZDK-UHFFFAOYSA-N -1 0 365.407 3.287 50 0 FGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC000000857787 219332140 /nfs/dbraw/zinc/33/21/40/219332140.db2.gz INWZFJFBXZALHV-UHFFFAOYSA-N -1 0 370.224 3.037 50 0 FGAARM CC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)nn(-c2ccccc2)c1C ZINC000001055049 219359407 /nfs/dbraw/zinc/35/94/07/219359407.db2.gz BBYWSZFEZZKLHC-UHFFFAOYSA-N -1 0 369.446 3.493 50 0 FGAARM CN(C)S(=O)(=O)c1cc(C(=O)[O-])c(NC2CCCCC2)cc1Cl ZINC000001162871 219384289 /nfs/dbraw/zinc/38/42/89/219384289.db2.gz KUVBPQUIWZPFRC-UHFFFAOYSA-N -1 0 360.863 3.033 50 0 FGAARM CCOC(=O)c1ccc([N-]S(=O)(=O)c2cccc3cccnc32)cc1 ZINC000001198853 219388628 /nfs/dbraw/zinc/38/86/28/219388628.db2.gz MDMNZEBGJJCHGP-UHFFFAOYSA-N -1 0 356.403 3.212 50 0 FGAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)Nc2ccc(Cl)cc2)N=C1[O-] ZINC000001231056 219391698 /nfs/dbraw/zinc/39/16/98/219391698.db2.gz BYIMEXXKSFKHDE-SECBINFHSA-N -1 0 367.858 3.373 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1NC1=C(Cl)C(=O)N(Cc2ccccc2)C1=O ZINC000001791257 219418597 /nfs/dbraw/zinc/41/85/97/219418597.db2.gz HAFTYEOQQUUXKS-UHFFFAOYSA-N -1 0 370.792 3.125 50 0 FGAARM O=C([O-])COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000002384496 219440805 /nfs/dbraw/zinc/44/08/05/219440805.db2.gz AWXAXFTVRICYET-YBEGLDIGSA-N -1 0 369.398 3.387 50 0 FGAARM CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@@](C)(C(=O)[O-])C3)n2)cc1 ZINC000236853989 222904031 /nfs/dbraw/zinc/90/40/31/222904031.db2.gz XJZUDFLVYUWULV-HXUWFJFHSA-N -1 0 371.437 3.116 50 0 FGAARM CCc1cc(C(=O)c2ccc(OC)cc2)c(NC(=O)CCC(=O)[O-])s1 ZINC000004334500 219566909 /nfs/dbraw/zinc/56/69/09/219566909.db2.gz NBNGRSKDTGQTBE-UHFFFAOYSA-N -1 0 361.419 3.353 50 0 FGAARM O=C(NCc1ccccc1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004732632 219602178 /nfs/dbraw/zinc/60/21/78/219602178.db2.gz CBTADSMEZZVCIX-UHFFFAOYSA-N -1 0 372.471 3.479 50 0 FGAARM O=C([N-]Cc1nc(-c2ccc(Cl)cc2)no1)C(Cl)(Cl)Cl ZINC000004838760 219612614 /nfs/dbraw/zinc/61/26/14/219612614.db2.gz VRGHOUQAOANWAQ-UHFFFAOYSA-N -1 0 355.008 3.376 50 0 FGAARM O=C([O-])c1ccc(/C=C2/N=C(c3ccc(Br)cc3)OC2=O)cc1 ZINC000006882872 219779741 /nfs/dbraw/zinc/77/97/41/219779741.db2.gz XGWQLHBAKRHSDD-NTEUORMPSA-N -1 0 372.174 3.492 50 0 FGAARM O=C([O-])CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 ZINC000007602799 219810435 /nfs/dbraw/zinc/81/04/35/219810435.db2.gz IFOOFHFEADLBMC-UHFFFAOYSA-N -1 0 360.218 3.273 50 0 FGAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCC[C@H]2c2ccco2)cc1 ZINC000299746504 223079597 /nfs/dbraw/zinc/07/95/97/223079597.db2.gz XUYLKCVNHSCDAN-KRWDZBQOSA-N -1 0 365.389 3.449 50 0 FGAARM O=S(=O)([N-]c1ccc(NCc2ccco2)nn1)c1ccc(Cl)cc1 ZINC000008975941 219872532 /nfs/dbraw/zinc/87/25/32/219872532.db2.gz SZGGVHMNBZCEEE-UHFFFAOYSA-N -1 0 364.814 3.136 50 0 FGAARM O=C([O-])c1ccccc1SCC(=O)NCCc1c[nH]c2ccccc12 ZINC000012759430 220026183 /nfs/dbraw/zinc/02/61/83/220026183.db2.gz XNJPWVMHMCWDPT-UHFFFAOYSA-N -1 0 354.431 3.317 50 0 FGAARM CC(C)C[C@H](NC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1)C(=O)[O-] ZINC000012899961 220040001 /nfs/dbraw/zinc/04/00/01/220040001.db2.gz ASXJIXDRLXLWJP-HNNXBMFYSA-N -1 0 363.845 3.388 50 0 FGAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(I)c1 ZINC000012909333 220041559 /nfs/dbraw/zinc/04/15/59/220041559.db2.gz OKFCHWOZCKVFAU-UHFFFAOYSA-N -1 0 361.179 3.121 50 0 FGAARM O=C([O-])Cc1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)cc1 ZINC000012979904 220048691 /nfs/dbraw/zinc/04/86/91/220048691.db2.gz MNTCMHMSOYKZAT-UHFFFAOYSA-N -1 0 368.216 3.316 50 0 FGAARM O=C([O-])c1cccc(CSc2nnc(NC[C@@H]3CCCO3)s2)c1 ZINC000012985749 220049214 /nfs/dbraw/zinc/04/92/14/220049214.db2.gz WNAXUMGQWNILJU-LBPRGKRZSA-N -1 0 351.453 3.120 50 0 FGAARM C[C@@H](Oc1ccccc1)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000013185570 220060797 /nfs/dbraw/zinc/06/07/97/220060797.db2.gz UUUMGIOIOBZGEI-MRXNPFEDSA-N -1 0 353.418 3.099 50 0 FGAARM O=C([O-])[C@H](CC(=O)Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1 ZINC000013467074 220068413 /nfs/dbraw/zinc/06/84/13/220068413.db2.gz IQUYKVXHXJGIGM-CQSZACIVSA-N -1 0 370.796 3.118 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2cccc3c2CCCC3)C[C@H]1C(=O)[O-] ZINC000014632447 220128808 /nfs/dbraw/zinc/12/88/08/220128808.db2.gz COSSSEBWMPBNFU-HOCLYGCPSA-N -1 0 361.438 3.407 50 0 FGAARM O=C([O-])CCCC(=O)Nc1sccc1C(=O)Nc1ccccc1F ZINC000017072671 220201494 /nfs/dbraw/zinc/20/14/94/220201494.db2.gz SZTSRZBQVGFGCY-UHFFFAOYSA-N -1 0 350.371 3.333 50 0 FGAARM CCCc1cc(C(N)=O)c(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])s1 ZINC000017074942 220204142 /nfs/dbraw/zinc/20/41/42/220204142.db2.gz UXXCKJKGOMDOIC-QWHCGFSZSA-N -1 0 364.467 3.185 50 0 FGAARM Cc1ccc(-c2csc(NC(=O)CCCC(=O)[O-])c2C(N)=O)cc1C ZINC000017074242 220204321 /nfs/dbraw/zinc/20/43/21/220204321.db2.gz IWEQSOPPVVSGGA-UHFFFAOYSA-N -1 0 360.435 3.324 50 0 FGAARM O=c1c2sc(-c3ccccc3)cc2[n-]c(=S)n1CCN1CCOCC1 ZINC000020267872 220319733 /nfs/dbraw/zinc/31/97/33/220319733.db2.gz CSGOTTGBHAYTEC-UHFFFAOYSA-N -1 0 373.503 3.120 50 0 FGAARM Cc1cc(C)n([C@@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])n1 ZINC000020807635 220341450 /nfs/dbraw/zinc/34/14/50/220341450.db2.gz VZEQSJUMCHJWES-ZDUSSCGKSA-N -1 0 351.200 3.161 50 0 FGAARM CCc1c2c(cc(=O)n1-c1ccc(OC)cc1)[n-]n(-c1ccccc1)c2=O ZINC000050073060 221030489 /nfs/dbraw/zinc/03/04/89/221030489.db2.gz OQZCTSUKZBHRHR-UHFFFAOYSA-N -1 0 361.401 3.041 50 0 FGAARM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)c1 ZINC000057121896 221084445 /nfs/dbraw/zinc/08/44/45/221084445.db2.gz IDYMFWWTZVNFAM-UHFFFAOYSA-N -1 0 372.805 3.247 50 0 FGAARM CCc1ccc(O)c(C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)c1 ZINC000058228953 221110481 /nfs/dbraw/zinc/11/04/81/221110481.db2.gz ZKJRNZITEMNEDK-UHFFFAOYSA-N -1 0 367.449 3.149 50 0 FGAARM O=C([O-])c1c(F)cccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000058406216 221117433 /nfs/dbraw/zinc/11/74/33/221117433.db2.gz LGIWDNODURMFPD-UHFFFAOYSA-N -1 0 363.288 3.344 50 0 FGAARM Cc1nn2c(nc(C(C)C)c2S(=O)(=O)[N-]c2ccc(F)c(F)c2)s1 ZINC000065183945 221176037 /nfs/dbraw/zinc/17/60/37/221176037.db2.gz HCVYFMOAJQPUHA-UHFFFAOYSA-N -1 0 372.422 3.302 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1c(C(C)C)nc2sc(C)nn21 ZINC000065183936 221176587 /nfs/dbraw/zinc/17/65/87/221176587.db2.gz DTORXRGBUWBTNH-UHFFFAOYSA-N -1 0 366.468 3.032 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccncc3)no2)cc1Cl ZINC000065153372 221173861 /nfs/dbraw/zinc/17/38/61/221173861.db2.gz RHZZAKXBTZLCNA-UHFFFAOYSA-N -1 0 365.798 3.199 50 0 FGAARM Cc1c(C(=O)[O-])sc2ncnc(N(C)Cc3ccc4c(c3)OCO4)c12 ZINC000067714447 221276195 /nfs/dbraw/zinc/27/61/95/221276195.db2.gz XYHIBYRIHXWLER-UHFFFAOYSA-N -1 0 357.391 3.063 50 0 FGAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccc(-c2ccc(C)cc2)o1)C(=O)[O-] ZINC000067676430 221269912 /nfs/dbraw/zinc/26/99/12/221269912.db2.gz NNFMJGKHVQCWNK-QGZVFWFLSA-N -1 0 353.378 3.151 50 0 FGAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn(Cc3cccnc3)c2)c1C ZINC000067890790 221301110 /nfs/dbraw/zinc/30/11/10/221301110.db2.gz GJQIQLVYPAAGMN-UHFFFAOYSA-N -1 0 370.478 3.361 50 0 FGAARM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000068462756 221315561 /nfs/dbraw/zinc/31/55/61/221315561.db2.gz OHUHKFBKKLFNAR-IAGOWNOFSA-N -1 0 370.449 3.273 50 0 FGAARM CC[C@H](C)NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000069057713 221319930 /nfs/dbraw/zinc/31/99/30/221319930.db2.gz JREZHSZFFVLYCR-BPUTZDHNSA-N -1 0 358.438 3.129 50 0 FGAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000071284013 221338911 /nfs/dbraw/zinc/33/89/11/221338911.db2.gz NWVVEBWWYLQMLC-MSOLQXFVSA-N -1 0 366.417 3.163 50 0 FGAARM CC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000059580580 533417210 /nfs/dbraw/zinc/41/72/10/533417210.db2.gz DGUBSBAXNPTHAS-OBGWFSINSA-N -1 0 367.449 3.332 50 0 FGAARM C[C@H]1CN(c2ccc(NC(=O)c3ccc([O-])c(Cl)c3)cn2)C[C@H](C)O1 ZINC000077223586 132178713 /nfs/dbraw/zinc/17/87/13/132178713.db2.gz QGLXVXPEUCHCAW-RYUDHWBXSA-N -1 0 361.829 3.307 50 0 FGAARM O=C([O-])c1cc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)ccn1 ZINC000082161233 132197675 /nfs/dbraw/zinc/19/76/75/132197675.db2.gz HBRWLWOCNOJJBR-KRWDZBQOSA-N -1 0 362.433 3.409 50 0 FGAARM O=C([O-])C1(n2ccnc2)CCN(c2ccc3cc(Cl)ccc3n2)CC1 ZINC000072424591 136146475 /nfs/dbraw/zinc/14/64/75/136146475.db2.gz QEJHJGAPVICQAZ-UHFFFAOYSA-N -1 0 356.813 3.165 50 0 FGAARM Cc1ncsc1CCCNc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000077537866 221642558 /nfs/dbraw/zinc/64/25/58/221642558.db2.gz JQLKCLXZAFXQQN-UHFFFAOYSA-N -1 0 355.423 3.046 50 0 FGAARM CCC[C@@](C)(NC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)[O-] ZINC000096999737 222148705 /nfs/dbraw/zinc/14/87/05/222148705.db2.gz ICGPZUOPGOFRPN-GOSISDBHSA-N -1 0 360.435 3.374 50 0 FGAARM COc1ccc(-c2noc(COc3ccc(CCC(=O)[O-])cc3)n2)cc1 ZINC000097103285 222160184 /nfs/dbraw/zinc/16/01/84/222160184.db2.gz IGAGNJPKWFDKKA-UHFFFAOYSA-N -1 0 354.362 3.341 50 0 FGAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2ccc(C)cn2)c1=O ZINC000100331657 222241519 /nfs/dbraw/zinc/24/15/19/222241519.db2.gz SLGXBMRWNVKFPH-UHFFFAOYSA-N -1 0 351.406 3.463 50 0 FGAARM C[C@@H]1CCc2cc(F)cc3c([O-])c(C(=O)Nc4ccccn4)c(=O)n1c23 ZINC000100630036 222248056 /nfs/dbraw/zinc/24/80/56/222248056.db2.gz VELOXNCMUDPDJP-SNVBAGLBSA-N -1 0 353.353 3.001 50 0 FGAARM COc1ccc(C([O-])=CC(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 ZINC000101354868 222271259 /nfs/dbraw/zinc/27/12/59/222271259.db2.gz UNTUPIPRSQLKFL-UHFFFAOYSA-N -1 0 361.781 3.138 50 0 FGAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3Cl)c(=O)c1=2 ZINC000101418548 222274482 /nfs/dbraw/zinc/27/44/82/222274482.db2.gz KXUQGPUUMUTIGK-JKSUJKDBSA-N -1 0 354.797 3.142 50 0 FGAARM CC(C)[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1 ZINC000101792705 222283779 /nfs/dbraw/zinc/28/37/79/222283779.db2.gz UVSYZFUNMKFVHI-KRWDZBQOSA-N -1 0 367.474 3.349 50 0 FGAARM Cc1cc([C@H](C)NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)c(C)s1 ZINC000103124204 222320891 /nfs/dbraw/zinc/32/08/91/222320891.db2.gz GUYDGTCVGMWDCB-JTQLQIEISA-N -1 0 373.503 3.392 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000000627301 493765830 /nfs/dbraw/zinc/76/58/30/493765830.db2.gz WIEYNARULJLYQD-HUUCEWRRSA-N -1 0 370.405 3.039 50 0 FGAARM Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000001282180 493791159 /nfs/dbraw/zinc/79/11/59/493791159.db2.gz YHMNQZBOAKCSSK-UHFFFAOYSA-N -1 0 352.419 3.283 50 0 FGAARM CCCCOC(=O)c1ccccc1N1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000002027897 493800496 /nfs/dbraw/zinc/80/04/96/493800496.db2.gz DAVOHDIXNYPOHO-UHFFFAOYSA-N -1 0 367.357 3.142 50 0 FGAARM Cn1cc(Br)c(C(=O)[N-]c2c(F)c(F)c(F)c(F)c2F)n1 ZINC000002115231 493801427 /nfs/dbraw/zinc/80/14/27/493801427.db2.gz BLGDOFHQEFMSDH-UHFFFAOYSA-N -1 0 370.075 3.130 50 0 FGAARM COc1cc(NC(=O)COc2ccccc2Cl)c(C(=O)[O-])cc1OC ZINC000002322340 493805999 /nfs/dbraw/zinc/80/59/99/493805999.db2.gz UEUDWNJCLLSWPJ-UHFFFAOYSA-N -1 0 365.769 3.073 50 0 FGAARM CC(C)(C)OC(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000002582960 493811300 /nfs/dbraw/zinc/81/13/00/493811300.db2.gz NZVOASTYHQSAJJ-UHFFFAOYSA-N -1 0 363.151 3.336 50 0 FGAARM CCOC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc(C)c1-c1ccccc1 ZINC000002392006 493806674 /nfs/dbraw/zinc/80/66/74/493806674.db2.gz YZTLNHLIDQNAAU-KTKRTIGZSA-N -1 0 359.403 3.480 50 0 FGAARM Cn1cc(NC(=O)OCC2c3ccccc3-c3ccccc32)nc1C(=O)[O-] ZINC000002392293 493807106 /nfs/dbraw/zinc/80/71/06/493807106.db2.gz AFUJLUWSTBUALR-UHFFFAOYSA-N -1 0 363.373 3.479 50 0 FGAARM Cc1ccn(Cc2nnc([N-]c3ccn(Cc4ccccc4)n3)s2)n1 ZINC000002731047 493817528 /nfs/dbraw/zinc/81/75/28/493817528.db2.gz AMFWKRTXEPFOBV-UHFFFAOYSA-N -1 0 351.439 3.080 50 0 FGAARM C/C(=C\C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2)C(=O)[O-] ZINC000002777443 493819521 /nfs/dbraw/zinc/81/95/21/493819521.db2.gz MMLYYDPDUDROKV-MXBGMFSPSA-N -1 0 365.451 3.408 50 0 FGAARM Cc1cc(=O)oc2cc(NC(=S)NCc3ccc(C(=O)[O-])cc3)ccc12 ZINC000002858000 493822090 /nfs/dbraw/zinc/82/20/90/493822090.db2.gz PHRBRAWPBBIZMF-UHFFFAOYSA-N -1 0 368.414 3.286 50 0 FGAARM O=C([O-])Cc1ccc(NC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000002880649 493824114 /nfs/dbraw/zinc/82/41/14/493824114.db2.gz BYRGZMLDJFONBR-UHFFFAOYSA-N -1 0 364.357 3.411 50 0 FGAARM CCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000003124652 493830968 /nfs/dbraw/zinc/83/09/68/493830968.db2.gz GTCAWYNZJDMWCQ-UHFFFAOYSA-N -1 0 362.455 3.023 50 0 FGAARM O=C([N-]C1(C(Cl)(Cl)Cl)Oc2ccccc2O1)C(F)(F)F ZINC000003098947 493830994 /nfs/dbraw/zinc/83/09/94/493830994.db2.gz OOMITVWXRPGCSV-UHFFFAOYSA-N -1 0 350.507 3.160 50 0 FGAARM COc1ccc(CCCNC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1 ZINC000058392117 493848925 /nfs/dbraw/zinc/84/89/25/493848925.db2.gz HQDDGWCOYQCFNR-UHFFFAOYSA-N -1 0 369.446 3.369 50 0 FGAARM Cc1ccc2[nH]c(SCC(=O)Nc3ccc(O)c(C(=O)[O-])c3)nc2c1 ZINC000004116225 493865174 /nfs/dbraw/zinc/86/51/74/493865174.db2.gz PHCXBHMGAWLUFN-UHFFFAOYSA-N -1 0 357.391 3.006 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000004167004 493867654 /nfs/dbraw/zinc/86/76/54/493867654.db2.gz YIZWACHEPUOPQO-HOTGVXAUSA-N -1 0 358.463 3.360 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000030032077 493875400 /nfs/dbraw/zinc/87/54/00/493875400.db2.gz KTFQLPJRMSJKBU-UHFFFAOYSA-N -1 0 357.479 3.159 50 0 FGAARM CCOc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(OC)cc2)cc1OC ZINC000004581211 493883797 /nfs/dbraw/zinc/88/37/97/493883797.db2.gz RAWSKRKXDZYELN-MRXNPFEDSA-N -1 0 373.405 3.048 50 0 FGAARM COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(C(=O)[O-])c1 ZINC000004674116 493885331 /nfs/dbraw/zinc/88/53/31/493885331.db2.gz UQAPEJVEQWVLRU-UHFFFAOYSA-N -1 0 364.810 3.174 50 0 FGAARM O=C([O-])c1cc2c(c(-c3oc4ccc(Cl)cc4c(=O)c3O)c1)OCOC2 ZINC000004746762 493891227 /nfs/dbraw/zinc/89/12/27/493891227.db2.gz BVECMBKHPKNVCL-UHFFFAOYSA-N -1 0 374.732 3.384 50 0 FGAARM O=C([O-])c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1Cl ZINC000004845536 493895782 /nfs/dbraw/zinc/89/57/82/493895782.db2.gz UDCBTHOTYUVTNH-UHFFFAOYSA-N -1 0 352.774 3.304 50 0 FGAARM O=C([N-]C1=NCCS1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000030805748 493908346 /nfs/dbraw/zinc/90/83/46/493908346.db2.gz ZTHGITIZHKQITI-QGZVFWFLSA-N -1 0 350.447 3.213 50 0 FGAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(Cl)cc2C)cc1 ZINC000005102418 493913780 /nfs/dbraw/zinc/91/37/80/493913780.db2.gz UMPHNGNBKBDMPD-UHFFFAOYSA-N -1 0 353.827 3.237 50 0 FGAARM CCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccccc1)c2=O ZINC000005269955 493923339 /nfs/dbraw/zinc/92/33/39/493923339.db2.gz LNJACUYEKMSZFG-UHFFFAOYSA-N -1 0 367.474 3.442 50 0 FGAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1nc2ccccc2s1 ZINC000005519575 493933143 /nfs/dbraw/zinc/93/31/43/493933143.db2.gz NROSIKRYPSFDFQ-UHFFFAOYSA-N -1 0 367.839 3.460 50 0 FGAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)N1CCCC1 ZINC000006404300 493962046 /nfs/dbraw/zinc/96/20/46/493962046.db2.gz QQLRSMFXMUGVJT-UHFFFAOYSA-N -1 0 362.426 3.171 50 0 FGAARM O=S(=O)([N-]c1nc(SCc2ccccc2)n[nH]1)c1ccc(F)cc1 ZINC000006416339 493963182 /nfs/dbraw/zinc/96/31/82/493963182.db2.gz DASGHJYPMMXCJU-UHFFFAOYSA-N -1 0 364.427 3.037 50 0 FGAARM CSc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000006770384 493978570 /nfs/dbraw/zinc/97/85/70/493978570.db2.gz UXAADHYZFGRGBX-IAGOWNOFSA-N -1 0 366.446 3.210 50 0 FGAARM CC1=C[C@](O)(C(F)(F)F)N(C(=O)c2cc(Cl)c([O-])c(Cl)c2)N1 ZINC000006849485 493983068 /nfs/dbraw/zinc/98/30/68/493983068.db2.gz VJNANZCAAUPTBO-NSHDSACASA-N -1 0 357.115 3.172 50 0 FGAARM COC(=O)c1cc(C)sc1NC(=S)Nc1ccc(CC(=O)[O-])cc1 ZINC000006962611 493990072 /nfs/dbraw/zinc/99/00/72/493990072.db2.gz OMZMAGDCCUAYEX-UHFFFAOYSA-N -1 0 364.448 3.279 50 0 FGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1ccc(F)cc1C ZINC000006998553 493992950 /nfs/dbraw/zinc/99/29/50/493992950.db2.gz CUMXYXFLKGSHEW-UHFFFAOYSA-N -1 0 354.403 3.057 50 0 FGAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 ZINC000032771992 494014797 /nfs/dbraw/zinc/01/47/97/494014797.db2.gz NEHBCNNJKFDDOY-UHFFFAOYSA-N -1 0 352.818 3.296 50 0 FGAARM Cc1cc(C)c(S(=O)(=O)Nc2ccc(N(C)C)c(C(=O)[O-])c2)cc1C ZINC000032962259 494032837 /nfs/dbraw/zinc/03/28/37/494032837.db2.gz FZBMEXKQEDWDGB-UHFFFAOYSA-N -1 0 362.451 3.177 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])c(C)c1 ZINC000033007257 494035810 /nfs/dbraw/zinc/03/58/10/494035810.db2.gz SUTBMCSMNCZLBW-UHFFFAOYSA-N -1 0 374.462 3.403 50 0 FGAARM CCN(CC)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000033253651 494054975 /nfs/dbraw/zinc/05/49/75/494054975.db2.gz ZIZSSNDPYWLKTM-UHFFFAOYSA-N -1 0 366.414 3.171 50 0 FGAARM CCCn1nc(C)c(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)c1C ZINC000077356373 494065461 /nfs/dbraw/zinc/06/54/61/494065461.db2.gz QXTZBFDVIWKLRI-UHFFFAOYSA-N -1 0 366.425 3.072 50 0 FGAARM Cc1nc([C@H](C)Nc2nccc(-c3cc(C(=O)[O-])ccn3)n2)c(C)s1 ZINC000077408442 494076922 /nfs/dbraw/zinc/07/69/22/494076922.db2.gz JFXNWXXINSHCSX-VIFPVBQESA-N -1 0 355.423 3.483 50 0 FGAARM Cc1ccc(-c2nc(SCc3nc(=O)c4sccc4[n-]3)n[nH]2)cc1 ZINC000008550577 494096619 /nfs/dbraw/zinc/09/66/19/494096619.db2.gz VOKJNLABLMPDQA-UHFFFAOYSA-N -1 0 355.448 3.370 50 0 FGAARM CC(C)CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000008840814 494106295 /nfs/dbraw/zinc/10/62/95/494106295.db2.gz MIDOIWDRDLCRTG-UHFFFAOYSA-N -1 0 364.492 3.484 50 0 FGAARM CC(C)C(=O)N1CCc2ccc([N-]S(=O)(=O)c3cccs3)cc2C1 ZINC000008977052 494110521 /nfs/dbraw/zinc/11/05/21/494110521.db2.gz BBJZXIYGGZVLGS-UHFFFAOYSA-N -1 0 364.492 3.090 50 0 FGAARM CCC[C@H](C)c1c([O-])nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O ZINC000009136753 494116316 /nfs/dbraw/zinc/11/63/16/494116316.db2.gz BHHWSIITXOXPHT-JTQLQIEISA-N -1 0 369.425 3.383 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)OCC(C)(C)C(=O)N3)s1 ZINC000009168893 494117089 /nfs/dbraw/zinc/11/70/89/494117089.db2.gz ZMETYSBOENGTNI-UHFFFAOYSA-N -1 0 366.464 3.214 50 0 FGAARM O=C([O-])c1cccc(OCc2nnnn2-c2ccc(Cl)c(Cl)c2)c1 ZINC000009341949 494122295 /nfs/dbraw/zinc/12/22/95/494122295.db2.gz GUUJWDZRDMXJMN-UHFFFAOYSA-N -1 0 365.176 3.246 50 0 FGAARM CN(CCOc1ccccc1)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000040088298 494130014 /nfs/dbraw/zinc/13/00/14/494130014.db2.gz JGNHRMLCLFHDDR-UHFFFAOYSA-N -1 0 355.419 3.149 50 0 FGAARM O=C([O-])CCNC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21 ZINC000040309808 494140864 /nfs/dbraw/zinc/14/08/64/494140864.db2.gz GAMVVPPYJMSYIQ-UHFFFAOYSA-N -1 0 366.417 3.201 50 0 FGAARM COCCn1c(=O)c2ccc(C(=O)Nc3ccc(F)cc3)cc2[n-]c1=S ZINC000010274405 494148790 /nfs/dbraw/zinc/14/87/90/494148790.db2.gz XXLNXVSWUGGNPT-UHFFFAOYSA-N -1 0 373.409 3.097 50 0 FGAARM CCOC(=O)C[C@H](c1ccc(OC)cc1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326021 494152832 /nfs/dbraw/zinc/15/28/32/494152832.db2.gz STBGTCTXOZFHKJ-MRXNPFEDSA-N -1 0 367.401 3.327 50 0 FGAARM CC(C)c1nc2c([N-]S(=O)(=O)c3ccccc3Cl)cccn2n1 ZINC000065283994 494186337 /nfs/dbraw/zinc/18/63/37/494186337.db2.gz ZJNNARXOOLDENY-UHFFFAOYSA-N -1 0 350.831 3.307 50 0 FGAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCc2sccc2C1 ZINC000012216246 494215093 /nfs/dbraw/zinc/21/50/93/494215093.db2.gz RICKGYUTHGFJMP-UHFFFAOYSA-N -1 0 371.487 3.096 50 0 FGAARM O=C([O-])c1ccc(CN2C(=O)S[C@H](Nc3ccc(F)cc3)C2=O)cc1 ZINC000012289138 494218905 /nfs/dbraw/zinc/21/89/05/494218905.db2.gz ZJHXONPNPLPGKY-AWEZNQCLSA-N -1 0 360.366 3.158 50 0 FGAARM C[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1Cl ZINC000017908351 494419039 /nfs/dbraw/zinc/41/90/39/494419039.db2.gz RTZVQWHRSKBVFL-SNVBAGLBSA-N -1 0 373.865 3.367 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@]1(C)CCc2ccccc2C1 ZINC000079427843 494452058 /nfs/dbraw/zinc/45/20/58/494452058.db2.gz SGKJOTISYRAVAM-FQEVSTJZSA-N -1 0 367.474 3.138 50 0 FGAARM CCc1nc2sc([C@@H](c3cccc(OC)c3)N3CCCC3)c([O-])n2n1 ZINC000022852993 494538764 /nfs/dbraw/zinc/53/87/64/494538764.db2.gz MBSLUJZFKGZCAA-OAHLLOKOSA-N -1 0 358.467 3.253 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2c[nH]nc2C(C)(C)C)ccc1N1CCCC1 ZINC000075093580 494687403 /nfs/dbraw/zinc/68/74/03/494687403.db2.gz FURIQZXQSUWTDX-UHFFFAOYSA-N -1 0 362.499 3.417 50 0 FGAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)c(F)cc1F ZINC000075582311 494799566 /nfs/dbraw/zinc/79/95/66/494799566.db2.gz CYLNMHNZTMTEDL-UHFFFAOYSA-N -1 0 359.325 3.165 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O[C@H](CCCCC(=O)[O-])C[C@H]12 ZINC000027642459 494878814 /nfs/dbraw/zinc/87/88/14/494878814.db2.gz RJADQDXZYFCVHV-WDONHGPHSA-N -1 0 354.487 3.283 50 0 in-vitro FGAARM Cc1nc(C)c(CC(=O)N2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)s1 ZINC000095377844 494970181 /nfs/dbraw/zinc/97/01/81/494970181.db2.gz ASTSMUJTOGDICB-INIZCTEOSA-N -1 0 358.463 3.407 50 0 FGAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)OCO4)C2)cc1 ZINC000095390217 494973176 /nfs/dbraw/zinc/97/31/76/494973176.db2.gz JMERKJONVIJRBU-QGZVFWFLSA-N -1 0 367.401 3.062 50 0 FGAARM COc1cc(F)c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cc1OC ZINC000095463931 494977006 /nfs/dbraw/zinc/97/70/06/494977006.db2.gz ABANLGDEBQXVSE-UHFFFAOYSA-N -1 0 361.369 3.457 50 0 FGAARM O=C([O-])c1cc(C(=O)N2CC[C@H](c3ccc(F)cc3)C2)cc([N+](=O)[O-])c1 ZINC000095464121 494977620 /nfs/dbraw/zinc/97/76/20/494977620.db2.gz GBSMCGCKDNSAQS-LBPRGKRZSA-N -1 0 358.325 3.062 50 0 FGAARM COc1ccc2c(C)c(C(=O)N(C)[C@H](C(=O)[O-])c3cccnc3)oc2c1 ZINC000095501351 494981816 /nfs/dbraw/zinc/98/18/16/494981816.db2.gz BKQFDLLEQHHUFU-INIZCTEOSA-N -1 0 354.362 3.043 50 0 FGAARM CSC[C@H](C)C(=O)N[C@@H](CC(=O)[O-])c1ccc(Br)cc1 ZINC000095969811 494992996 /nfs/dbraw/zinc/99/29/96/494992996.db2.gz DXDUFAOKXSUCIO-CABZTGNLSA-N -1 0 360.273 3.080 50 0 FGAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3cn(C)nc3-c3ccccc3)ccc2O1 ZINC000095983803 494993257 /nfs/dbraw/zinc/99/32/57/494993257.db2.gz NOUVNQMTQVVUEV-ZDUSSCGKSA-N -1 0 369.446 3.211 50 0 FGAARM CCOc1ccc(-c2nc(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)cs2)cc1 ZINC000136145572 495359373 /nfs/dbraw/zinc/35/93/73/495359373.db2.gz FUTHPGAPQFYNSC-CQSZACIVSA-N -1 0 374.462 3.075 50 0 FGAARM O=C([O-])c1ccc(F)c(NC(=O)Cn2ccc3cc([N+](=O)[O-])ccc32)c1 ZINC000170592081 495530497 /nfs/dbraw/zinc/53/04/97/495530497.db2.gz DIAQHOJIXGGTFI-UHFFFAOYSA-N -1 0 357.297 3.026 50 0 FGAARM COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)[O-])cc1O ZINC000170618370 495536262 /nfs/dbraw/zinc/53/62/62/495536262.db2.gz IBBLTWHPHJFAOY-AWEZNQCLSA-N -1 0 374.418 3.005 50 0 FGAARM O=C([O-])Cc1ccc(S(=O)(=O)N2CC3(CCCC3)c3ccccc32)cc1 ZINC000170655498 495548942 /nfs/dbraw/zinc/54/89/42/495548942.db2.gz CGJKXSNFYGSNOZ-UHFFFAOYSA-N -1 0 371.458 3.334 50 0 FGAARM C[C@@H](CCc1cccc(F)c1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000170672665 495556273 /nfs/dbraw/zinc/55/62/73/495556273.db2.gz JPVHRTDHTRHZJB-AWEZNQCLSA-N -1 0 359.397 3.174 50 0 FGAARM Cc1[n-]n(-c2ccc(C)cc2C)c(=O)c1C(=O)Nc1ccnn1C(C)C ZINC000155593704 496006450 /nfs/dbraw/zinc/00/64/50/496006450.db2.gz RTGIQMPAVVUJNY-KRWDZBQOSA-N -1 0 353.426 3.058 50 0 FGAARM COc1ccc(C2=CC(c3c([O-])cc(C)oc3=O)=NCCS2)c(OC)c1 ZINC000168751718 496712224 /nfs/dbraw/zinc/71/22/24/496712224.db2.gz XLABDDWRKJWUMI-UHFFFAOYSA-N -1 0 373.430 3.248 50 0 FGAARM CCOc1cc(C(=O)N2[C@H](C)C[C@@H]3CCCC[C@@H]32)ccc1OCC(=O)[O-] ZINC000268875229 496811748 /nfs/dbraw/zinc/81/17/48/496811748.db2.gz APMUIKKXTLTWEB-YCPHGPKFSA-N -1 0 361.438 3.342 50 0 FGAARM O=C([O-])CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000216626582 496990517 /nfs/dbraw/zinc/99/05/17/496990517.db2.gz RSFFRROTNXKDKK-LJQANCHMSA-N -1 0 364.401 3.446 50 0 FGAARM Cc1cc([C@H]2C[C@H]3CC[C@@H](C2)N3C(=O)c2[nH]cnc2C(=O)[O-])ccc1F ZINC000217136255 496994571 /nfs/dbraw/zinc/99/45/71/496994571.db2.gz MDHAAKYZWMOVSS-BTTYYORXSA-N -1 0 357.385 3.106 50 0 FGAARM O=C([O-])c1csc(CCNC(=O)[C@H]2CCCc3c4ccccc4[nH]c32)n1 ZINC000221154077 497018100 /nfs/dbraw/zinc/01/81/00/497018100.db2.gz GAQABDYOHCHRDZ-ZDUSSCGKSA-N -1 0 369.446 3.101 50 0 FGAARM CC(C)c1noc2ncc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)cc21 ZINC000236640234 497125021 /nfs/dbraw/zinc/12/50/21/497125021.db2.gz LGUVYAGRLVLNPJ-UGFHNGPFSA-N -1 0 357.410 3.204 50 0 FGAARM CC[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1nc(C(F)(F)F)cs1 ZINC000237049897 497185420 /nfs/dbraw/zinc/18/54/20/497185420.db2.gz OZIAUQYPHGUPRS-QMMMGPOBSA-N -1 0 359.329 3.136 50 0 FGAARM COc1ccccc1[C@@H](C)CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237185773 497201845 /nfs/dbraw/zinc/20/18/45/497201845.db2.gz QQEZXDXSDVVEET-KSSFIOAISA-N -1 0 353.418 3.227 50 0 FGAARM C[C@@H](CN(C)C(=O)/C=C/c1cccc(OCc2ccccc2)c1)C(=O)[O-] ZINC000237401207 497230752 /nfs/dbraw/zinc/23/07/52/497230752.db2.gz RHCZUDSSLSHKCF-PCUGXKRQSA-N -1 0 353.418 3.458 50 0 FGAARM Cc1nc(C2CCCC2)sc1C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000237612748 497263439 /nfs/dbraw/zinc/26/34/39/497263439.db2.gz PSVZNIYHLXOILH-CQSZACIVSA-N -1 0 366.483 3.205 50 0 FGAARM CC(C[C@@H]1[C@H](C(=O)[O-])C1(C)C)N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000252627507 497314032 /nfs/dbraw/zinc/31/40/32/497314032.db2.gz RVRCSROUSCVZJW-ZWNOBZJWSA-N -1 0 350.331 3.038 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cccc(OCc3cscn3)c2)C1 ZINC000237972593 497321614 /nfs/dbraw/zinc/32/16/14/497321614.db2.gz FPZGMAHABMDRMS-AWEZNQCLSA-N -1 0 374.462 3.439 50 0 FGAARM O=C([O-])C1CCN(C(=O)c2cnc(-c3ccccc3Cl)s2)CC1 ZINC000238043885 497332776 /nfs/dbraw/zinc/33/27/76/497332776.db2.gz JFSYXCXQOPFSKP-UHFFFAOYSA-N -1 0 350.827 3.400 50 0 FGAARM O=C(CNC(=O)c1cc(O)c2ccccc2c1)Nc1cccc2cccnc21 ZINC000253421226 497332882 /nfs/dbraw/zinc/33/28/82/497332882.db2.gz SGCIECCCDWOQGW-UHFFFAOYSA-N -1 0 371.396 3.462 50 0 FGAARM O=C([O-])c1ccc(CNC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 ZINC000238106338 497340531 /nfs/dbraw/zinc/34/05/31/497340531.db2.gz FQPXJAZUKHOIGG-UHFFFAOYSA-N -1 0 373.836 3.403 50 0 FGAARM O=C([O-])C1CCN(C(=O)/C=C\c2ccc(Oc3cccnc3)c(F)c2)CC1 ZINC000255887329 497377214 /nfs/dbraw/zinc/37/72/14/497377214.db2.gz URCKYIVYWNNXFJ-XQRVVYSFSA-N -1 0 370.380 3.349 50 0 FGAARM CC(C)(C(=O)NCCc1nc(C(=O)[O-])cs1)c1ccccc1Cl ZINC000263115511 497708537 /nfs/dbraw/zinc/70/85/37/497708537.db2.gz RWFGGSWZJDGHEF-UHFFFAOYSA-N -1 0 352.843 3.131 50 0 FGAARM COc1ccc(NC2(C(=O)N3CCCC[C@@H]3C(=O)[O-])CCCCC2)cc1 ZINC000426493107 500279259 /nfs/dbraw/zinc/27/92/59/500279259.db2.gz FLUWNTMVYPUIDX-QGZVFWFLSA-N -1 0 360.454 3.276 50 0 FGAARM COc1ccc(-c2oc3cc4c(cc3c2CC(=O)[O-])OCO4)cc1OC ZINC000604405052 506821762 /nfs/dbraw/zinc/82/17/62/506821762.db2.gz UWQJYRBRVFMEOV-UHFFFAOYSA-N -1 0 356.330 3.473 50 0 FGAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2ccc(Cl)cc2)C1 ZINC000091551919 523495052 /nfs/dbraw/zinc/49/50/52/523495052.db2.gz KMRFIFZHLLTJNW-LJQANCHMSA-N -1 0 367.873 3.393 50 0 FGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1 ZINC000268937698 525231384 /nfs/dbraw/zinc/23/13/84/525231384.db2.gz CPHIEKXQEVTBBK-AWEZNQCLSA-N -1 0 356.856 3.462 50 0 FGAARM Cc1cc(N[C@H](CC(C)C)c2ncnn2C)nc(-c2ccccc2[O-])n1 ZINC000091364960 525302476 /nfs/dbraw/zinc/30/24/76/525302476.db2.gz SMAVPASXWGVDGL-OAHLLOKOSA-N -1 0 352.442 3.485 50 0 FGAARM O=C([O-])C1CCC(NC(=O)C2(c3ccccc3Cl)CCOCC2)CC1 ZINC000268944153 527559949 /nfs/dbraw/zinc/55/99/49/527559949.db2.gz VABBYWFHGIHQTG-UHFFFAOYSA-N -1 0 365.857 3.148 50 0 FGAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCCc3cc(OC(F)F)ccc32)cn1 ZINC000238030409 570820551 /nfs/dbraw/zinc/82/05/51/570820551.db2.gz RJOFDOHBICMWOO-CQSZACIVSA-N -1 0 362.332 3.189 50 0 FGAARM Cc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1C ZINC000102819144 570839991 /nfs/dbraw/zinc/83/99/91/570839991.db2.gz AOXWQKPNYGNJOF-JKSUJKDBSA-N -1 0 356.332 3.079 50 0 FGAARM C[C@@H]1CCC[C@@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000104174247 570857524 /nfs/dbraw/zinc/85/75/24/570857524.db2.gz KKQUIKMWIZLACQ-VNHYZAJKSA-N -1 0 359.495 3.390 50 0 FGAARM COc1ccc(CNC(=O)N[C@H](c2ccccc2)C2CC2)cc1C(=O)[O-] ZINC000048229603 570938694 /nfs/dbraw/zinc/93/86/94/570938694.db2.gz VNAQDMASUZGESB-GOSISDBHSA-N -1 0 354.406 3.344 50 0 FGAARM CC(C)[S@](=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236702802 571121923 /nfs/dbraw/zinc/12/19/23/571121923.db2.gz AUMFVTSZVWVGTD-OWJWWREXSA-N -1 0 351.468 3.062 50 0 FGAARM CSCC[C@@H](NC(=O)N(C)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000426358348 571214903 /nfs/dbraw/zinc/21/49/03/571214903.db2.gz NZEFFFNTDBAFDV-GFCCVEGCSA-N -1 0 364.389 3.053 50 0 FGAARM C[C@@H](c1ccc(F)c(F)c1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1F ZINC000170011956 571260432 /nfs/dbraw/zinc/26/04/32/571260432.db2.gz YHBNYNMCKKJSTR-VIFPVBQESA-N -1 0 373.352 3.184 50 0 FGAARM CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000004755880 601825088 /nfs/dbraw/zinc/82/50/88/601825088.db2.gz BHDJGZJWLRSNSR-UHFFFAOYSA-N -1 0 353.783 3.042 50 0 FGAARM O=C(N=C([O-])Nc1ccc(Br)cc1)C(Cl)(Cl)Cl ZINC000001226881 695536151 /nfs/dbraw/zinc/53/61/51/695536151.db2.gz UGJNCGYWWKSSMB-UHFFFAOYSA-N -1 0 360.422 3.467 50 0 FGAARM CCCCC[C@@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-] ZINC000003830202 203882117 /nfs/dbraw/zinc/88/21/17/203882117.db2.gz GMVPRGQOIOIIMI-CHCORRSHSA-N -1 0 354.487 3.475 50 0 in-vitro FGAARM CCOc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1 ZINC000096792801 203928022 /nfs/dbraw/zinc/92/80/22/203928022.db2.gz ZDMIJPIUKFUDFC-KAMYIIQDSA-N -1 0 362.385 3.438 50 0 FGAARM O=C(CCC1CCCC1)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000002503083 204042466 /nfs/dbraw/zinc/04/24/66/204042466.db2.gz QRBODFDMANNWFM-UHFFFAOYSA-N -1 0 374.466 3.186 50 0 FGAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCCC3)cc2)n1 ZINC000002069631 204025321 /nfs/dbraw/zinc/02/53/21/204025321.db2.gz BRVJWGBWZDSFRF-UHFFFAOYSA-N -1 0 374.466 3.023 50 0 FGAARM Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2Cl)[n-]c1=O ZINC000003256090 204085581 /nfs/dbraw/zinc/08/55/81/204085581.db2.gz RYEPEEXTKCBTHY-SSDOTTSWSA-N -1 0 359.238 3.312 50 0 FGAARM Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1C ZINC000003267944 204085906 /nfs/dbraw/zinc/08/59/06/204085906.db2.gz OSUKPZFWKIPYLF-GOSISDBHSA-N -1 0 373.474 3.120 50 0 FGAARM COc1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cc(OC)c1OC ZINC000002653668 204049477 /nfs/dbraw/zinc/04/94/77/204049477.db2.gz ZQBXANRDSDJIOM-UHFFFAOYSA-N -1 0 363.844 3.228 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)COc2ccc3ccccc3c2)c(C)c1 ZINC000002706730 204051952 /nfs/dbraw/zinc/05/19/52/204051952.db2.gz KCRXXSQZEZOCFM-UHFFFAOYSA-N -1 0 369.442 3.341 50 0 FGAARM COC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)CCC(=O)[O-] ZINC000002738240 204054678 /nfs/dbraw/zinc/05/46/78/204054678.db2.gz XLQSRANCFAUAHT-NSHDSACASA-N -1 0 361.419 3.490 50 0 FGAARM O=C([O-])c1ccccc1N[C@@H](NC(=O)c1ccco1)C(=O)c1ccccc1 ZINC000004058724 204119245 /nfs/dbraw/zinc/11/92/45/204119245.db2.gz LGPOPDDSNTWOAE-SFHVURJKSA-N -1 0 364.357 3.029 50 0 FGAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1CSc1ccccn1 ZINC000004571241 204148119 /nfs/dbraw/zinc/14/81/19/204148119.db2.gz LBTOSVJOGNQFNV-BBRMVZONSA-N -1 0 362.476 3.171 50 0 FGAARM O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000004681910 204153974 /nfs/dbraw/zinc/15/39/74/204153974.db2.gz MYKVEESSMOYIFU-CQSZACIVSA-N -1 0 364.184 3.285 50 0 in-vitro FGAARM CCCCOC(=O)NC([N-]c1ncccn1)(C(F)(F)F)C(F)(F)F ZINC000004336739 204134882 /nfs/dbraw/zinc/13/48/82/204134882.db2.gz VMFKJVAHWHVNJD-UHFFFAOYSA-N -1 0 360.258 3.236 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1 ZINC000004483603 204141403 /nfs/dbraw/zinc/14/14/03/204141403.db2.gz RWGAGAVUHJZBAZ-JKSUJKDBSA-N -1 0 354.797 3.142 50 0 FGAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)c1 ZINC000004483930 204141566 /nfs/dbraw/zinc/14/15/66/204141566.db2.gz UCZVHEAWABXTCR-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM O=C([O-])C[C@]1(C(=O)Nc2ccc(F)cc2)CC(/C=C/c2ccccc2)=NO1 ZINC000005451020 204209171 /nfs/dbraw/zinc/20/91/71/204209171.db2.gz FLSDFWZDWUFBBC-ZGBFETHSSA-N -1 0 368.364 3.467 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCN2C(=O)CC ZINC000004884525 204171812 /nfs/dbraw/zinc/17/18/12/204171812.db2.gz VRRQXASKBBTFCV-UHFFFAOYSA-N -1 0 374.462 3.185 50 0 FGAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000005329491 204202732 /nfs/dbraw/zinc/20/27/32/204202732.db2.gz KFGDFLNXRZONKZ-UHFFFAOYSA-N -1 0 350.827 3.268 50 0 FGAARM COC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005727437 204223130 /nfs/dbraw/zinc/22/31/30/204223130.db2.gz WMTZEVRQUNQPLP-QWRGUYRKSA-N -1 0 353.440 3.488 50 0 FGAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000005927410 204230673 /nfs/dbraw/zinc/23/06/73/204230673.db2.gz ONDULAFRXBSIBF-UHFFFAOYSA-N -1 0 357.790 3.457 50 0 FGAARM O=S(=O)([N-]c1ccn(Cc2ccccc2F)n1)c1ccc(F)c(F)c1 ZINC000006502395 204251344 /nfs/dbraw/zinc/25/13/44/204251344.db2.gz OOCVVAMDINZGGB-UHFFFAOYSA-N -1 0 367.352 3.150 50 0 FGAARM Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCO4)s2)on1 ZINC000006887791 204279375 /nfs/dbraw/zinc/27/93/75/204279375.db2.gz SFUYAYDIKWOCBR-UHFFFAOYSA-N -1 0 364.404 3.241 50 0 FGAARM Cc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000007716694 204303914 /nfs/dbraw/zinc/30/39/14/204303914.db2.gz FVTHLVXGNOLKQM-LLVKDONJSA-N -1 0 359.856 3.204 50 0 FGAARM CCCCOc1ccc(C(C)=O)cc1CC1C(=O)N=C(SC)N=C1[O-] ZINC000009059320 204352863 /nfs/dbraw/zinc/35/28/63/204352863.db2.gz KQJBUAUGUPWWCZ-UHFFFAOYSA-N -1 0 362.451 3.170 50 0 FGAARM CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)[N-]OCc1ccccc1 ZINC000010318974 204394904 /nfs/dbraw/zinc/39/49/04/204394904.db2.gz JKOBBXPXFLCHIE-KRWDZBQOSA-N -1 0 360.841 3.342 50 0 FGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)NCc1ccc(Cl)cc1 ZINC000013234797 204526803 /nfs/dbraw/zinc/52/68/03/204526803.db2.gz ARCSNBVXFRJVRI-KRWDZBQOSA-N -1 0 371.824 3.316 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 ZINC000013258686 204527177 /nfs/dbraw/zinc/52/71/77/204527177.db2.gz XKRGSYPDDZEWGD-UHFFFAOYSA-N -1 0 352.390 3.001 50 0 FGAARM Cc1nn(-c2ccc(F)cc2)c(C)c1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000036353232 205011960 /nfs/dbraw/zinc/01/19/60/205011960.db2.gz RFFAUGUTAQSUEM-UHFFFAOYSA-N -1 0 361.398 3.135 50 0 FGAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nc(-c2ccccc2Cl)cs1 ZINC000036615642 205017454 /nfs/dbraw/zinc/01/74/54/205017454.db2.gz FYLUDWNYHWYNLX-UHFFFAOYSA-N -1 0 362.798 3.148 50 0 FGAARM C[C@H](NC(=O)CCn1ccc2cc(OCc3ccccc3)ccc21)C(=O)[O-] ZINC000040309135 205066922 /nfs/dbraw/zinc/06/69/22/205066922.db2.gz DYQBDNMBJVXAAS-HNNXBMFYSA-N -1 0 366.417 3.200 50 0 FGAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)c(C)c1 ZINC000046049813 205130737 /nfs/dbraw/zinc/13/07/37/205130737.db2.gz JYHSSLHYRCVFMO-UHFFFAOYSA-N -1 0 364.492 3.402 50 0 FGAARM CCn1c2ccsc2c([O-])c(C(=O)Nc2cc(OC)ccc2OC)c1=O ZINC000049409499 205172140 /nfs/dbraw/zinc/17/21/40/205172140.db2.gz HZCPMZIHINWMCK-UHFFFAOYSA-N -1 0 374.418 3.058 50 0 FGAARM O=C([O-])CCCOc1ccc(S(=O)(=O)Nc2ccccc2F)cc1F ZINC000058281879 205268114 /nfs/dbraw/zinc/26/81/14/205268114.db2.gz CMXVEOCCPMVUCQ-UHFFFAOYSA-N -1 0 371.361 3.009 50 0 FGAARM Cn1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cn1 ZINC000061719227 205287081 /nfs/dbraw/zinc/28/70/81/205287081.db2.gz MJONQQWXTPVGSK-GFCCVEGCSA-N -1 0 353.403 3.321 50 0 FGAARM CCc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)cc3F)o2)o1 ZINC000065246257 205328108 /nfs/dbraw/zinc/32/81/08/205328108.db2.gz XJSGXZGKFRYEAX-UHFFFAOYSA-N -1 0 351.359 3.140 50 0 FGAARM Cc1nnc(-c2csc(S(=O)(=O)[N-]c3ccc(F)cc3C)c2)o1 ZINC000065098596 205317825 /nfs/dbraw/zinc/31/78/25/205317825.db2.gz JBWICTQJRMUTDG-UHFFFAOYSA-N -1 0 353.400 3.355 50 0 FGAARM O=C(C=Cc1ccc(OC(F)F)cc1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000065536848 205358122 /nfs/dbraw/zinc/35/81/22/205358122.db2.gz UGFZKDHWPLRNJM-XCVCLJGOSA-N -1 0 373.315 3.283 50 0 FGAARM O=c1ccc(=O)n(CCn2cnc(-c3ccccc3)c2[C@H]2CC=CCC2)[n-]1 ZINC000065532125 205358764 /nfs/dbraw/zinc/35/87/64/205358764.db2.gz ILKBLZONHVKKSE-KRWDZBQOSA-N -1 0 362.433 3.336 50 0 FGAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)NCC1CCCCCCC1 ZINC000065731711 205360768 /nfs/dbraw/zinc/36/07/68/205360768.db2.gz CTIPEOUCEZWDLT-UHFFFAOYSA-N -1 0 356.463 3.288 50 0 FGAARM Cc1ccc(C)c(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)c1 ZINC000065361790 205338588 /nfs/dbraw/zinc/33/85/88/205338588.db2.gz FPCMPDQSAGTYHA-UHFFFAOYSA-N -1 0 361.448 3.038 50 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50 0 FGAARM Cc1cccc(C)c1NC(=O)CSc1nc2[nH]c(=O)cc([O-])c2s1 ZINC000004945378 206185075 /nfs/dbraw/zinc/18/50/75/206185075.db2.gz MXJVARWWKGPYAW-UHFFFAOYSA-N -1 0 361.448 3.038 50 0 FGAARM Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000006796318 206205300 /nfs/dbraw/zinc/20/53/00/206205300.db2.gz ZXKBFFYKNFPAFL-UHFFFAOYSA-N -1 0 353.403 3.367 50 0 FGAARM COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2 ZINC000005962285 206198505 /nfs/dbraw/zinc/19/85/05/206198505.db2.gz UQLIBSDYCUZPHI-DMEOUFDRSA-N -1 0 365.451 3.265 50 0 FGAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000004894004 206239379 /nfs/dbraw/zinc/23/93/79/206239379.db2.gz AUBHLOYDKRRGGF-VXGBXAGGSA-N -1 0 351.424 3.093 50 0 FGAARM Cc1cc(C)cc(OCC(=O)NC(=S)Nc2cccc(C(=O)[O-])c2C)c1 ZINC000006571481 206242240 /nfs/dbraw/zinc/24/22/40/206242240.db2.gz ATNQVTDGRBHJOH-UHFFFAOYSA-N -1 0 372.446 3.202 50 0 FGAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000013467342 206303682 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CCCc1nc(C)cc(N2CCC(C[C@H]3CCCCO3)(C(=O)[O-])CC2)n1 ZINC000071759766 136140424 /nfs/dbraw/zinc/14/04/24/136140424.db2.gz KYTYKHUDEKNMKN-MRXNPFEDSA-N -1 0 361.486 3.368 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)no1 ZINC000000672611 493768974 /nfs/dbraw/zinc/76/89/74/493768974.db2.gz NOJIPPLRSMFLJG-UHFFFAOYSA-N -1 0 372.406 3.428 50 0 FGAARM Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c2ccccc12 ZINC000027995937 493771848 /nfs/dbraw/zinc/77/18/48/493771848.db2.gz OPWXHBSJGTYLSR-GOSISDBHSA-N -1 0 369.442 3.122 50 0 FGAARM COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])cc1 ZINC000000854389 493777279 /nfs/dbraw/zinc/77/72/79/493777279.db2.gz MZYCUVCDGLERQF-GOSISDBHSA-N -1 0 352.390 3.238 50 0 FGAARM O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2cccnc2)cs1 ZINC000001063605 493784320 /nfs/dbraw/zinc/78/43/20/493784320.db2.gz TXYPOVNOKIXFAY-UHFFFAOYSA-N -1 0 359.432 3.196 50 0 FGAARM CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccccc3C(=O)[O-])cc2C1=O ZINC000001170904 493788331 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IQOBXVCYTLTYJR-UHFFFAOYSA-N -1 0 366.461 3.175 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)CCc1c[nH]c2ccccc12 ZINC000030031653 493875820 /nfs/dbraw/zinc/87/58/20/493875820.db2.gz NSUMGTWNMWJFNF-UHFFFAOYSA-N -1 0 366.446 3.057 50 0 FGAARM Cc1ccc(S(=O)(=O)N2CCCc3cc(F)c(F)cc32)cc1C(=O)[O-] ZINC000031669742 493954927 /nfs/dbraw/zinc/95/49/27/493954927.db2.gz VRGALGMBRXDZDH-UHFFFAOYSA-N -1 0 367.373 3.113 50 0 FGAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cnc21 ZINC000032097977 493975467 /nfs/dbraw/zinc/97/54/67/493975467.db2.gz ZUUCIEXZXKIFKT-UHFFFAOYSA-N -1 0 352.366 3.091 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000082081209 493976884 /nfs/dbraw/zinc/97/68/84/493976884.db2.gz VFOXDJGLIAYWGF-NSHDSACASA-N -1 0 350.827 3.400 50 0 FGAARM C[C@@H](O)[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-] ZINC000034245336 494065310 /nfs/dbraw/zinc/06/53/10/494065310.db2.gz CBIIBFYYCAFENA-UTKZUKDTSA-N -1 0 361.441 3.402 50 0 FGAARM O=C(N[C@H](c1ccc2c(c1)OCCO2)C1CC1)c1c([O-])cc(F)cc1F ZINC000084452222 494073575 /nfs/dbraw/zinc/07/35/75/494073575.db2.gz PSKFBTGYTWPSRY-SFHVURJKSA-N -1 0 361.344 3.323 50 0 FGAARM CN(C(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1)c1ccccc1 ZINC000071285662 494090898 /nfs/dbraw/zinc/09/08/98/494090898.db2.gz MXIDJZIFCPSKSM-SJORKVTESA-N -1 0 366.417 3.259 50 0 FGAARM CCCOc1cccc(C(=O)[N-]S(=O)(=O)c2cccc(Cl)c2)c1 ZINC000071946778 494111207 /nfs/dbraw/zinc/11/12/07/494111207.db2.gz SJZDYKBBEYFSQZ-UHFFFAOYSA-N -1 0 353.827 3.248 50 0 FGAARM Cc1cc(NS(=O)(=O)c2cccc(F)c2)ccc1-n1cccc1C(=O)[O-] ZINC000072066822 494123805 /nfs/dbraw/zinc/12/38/05/494123805.db2.gz AYNPLIUATMZNBK-UHFFFAOYSA-N -1 0 374.393 3.424 50 0 FGAARM O=C([O-])c1cccc(CC2CCN(C(=O)C(=O)c3ccccc3)CC2)c1 ZINC000072174278 494144299 /nfs/dbraw/zinc/14/42/99/494144299.db2.gz ZNVOUFNYWDFHBU-UHFFFAOYSA-N -1 0 351.402 3.049 50 0 FGAARM O=C([O-])[C@@]1(CC(=O)Nc2ccccc2)CC(c2ccccc2Cl)=NO1 ZINC000072403943 494164341 /nfs/dbraw/zinc/16/43/41/494164341.db2.gz CVADVDKEEYWKPU-SFHVURJKSA-N -1 0 358.781 3.317 50 0 FGAARM O=C([O-])c1ccnc(-c2ccnc(NCc3ccccc3-n3ccnc3)n2)c1 ZINC000072475122 494179856 /nfs/dbraw/zinc/17/98/56/494179856.db2.gz SXMAPNDGBAULTB-UHFFFAOYSA-N -1 0 372.388 3.035 50 0 FGAARM CSCC[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)C(=O)[O-] ZINC000012293407 494220556 /nfs/dbraw/zinc/22/05/56/494220556.db2.gz VFYVTRZOQOUWIS-INIZCTEOSA-N -1 0 371.524 3.219 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000012495508 494235568 /nfs/dbraw/zinc/23/55/68/494235568.db2.gz PXGPLTODNUVGFL-HMALSPAFSA-N -1 0 354.487 3.043 50 0 endogenous,in-man FGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(C(=O)N[C@@H](C)C2CC2)c1 ZINC000012541974 494240038 /nfs/dbraw/zinc/24/00/38/494240038.db2.gz VMEOBTNIFJPQLB-ZDUSSCGKSA-N -1 0 374.462 3.024 50 0 FGAARM O=C(NCCn1c(=O)c2ccccc2[n-]c1=S)c1ccc(Cl)cc1 ZINC000012552496 494241488 /nfs/dbraw/zinc/24/14/88/494241488.db2.gz QXTOUSVXHIJDPU-UHFFFAOYSA-N -1 0 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494505312 /nfs/dbraw/zinc/50/53/12/494505312.db2.gz CLTYGANVFDCSDM-UHFFFAOYSA-N -1 0 371.393 3.274 50 0 FGAARM Cc1cc(Cl)ccc1S(=O)(=O)[N-]c1cnn(Cc2cccnc2)c1 ZINC000067890763 494683862 /nfs/dbraw/zinc/68/38/62/494683862.db2.gz UVNFHKLNAGCULK-UHFFFAOYSA-N -1 0 362.842 3.089 50 0 FGAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N[C@H]2CCOc3ccccc32)n1 ZINC000075106647 494691506 /nfs/dbraw/zinc/69/15/06/494691506.db2.gz XDWWZFIWDZJTGZ-HNNXBMFYSA-N -1 0 367.380 3.279 50 0 FGAARM CCc1cccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C)o2)c1 ZINC000075504937 494781405 /nfs/dbraw/zinc/78/14/05/494781405.db2.gz SMWNLOGJJSETMU-UHFFFAOYSA-N -1 0 360.439 3.353 50 0 FGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(C(F)(F)F)n[nH]3)C2)c1 ZINC000095363173 494964459 /nfs/dbraw/zinc/96/44/59/494964459.db2.gz DCIQZGNPMMKXFH-LBPRGKRZSA-N -1 0 367.327 3.147 50 0 FGAARM Cc1nc2ccc(C(=O)N[C@H](C(=O)[O-])c3ccccc3Cl)cc2nc1C ZINC000095364143 494964511 /nfs/dbraw/zinc/96/45/11/494964511.db2.gz KTPKBHBWWJZFBF-KRWDZBQOSA-N -1 0 369.808 3.456 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O=C([O-])c1ccc(CCC(=O)N2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000237988376 497324446 /nfs/dbraw/zinc/32/44/46/497324446.db2.gz RGVULHJXWAFDIQ-DLBZAZTESA-N -1 0 373.474 3.494 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc(Br)s2)C1 ZINC000238003160 497325736 /nfs/dbraw/zinc/32/57/36/497325736.db2.gz CLNYWUMTAVDCEB-SNVBAGLBSA-N -1 0 360.273 3.157 50 0 FGAARM CC(C)c1cc(CN(C)CC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)no1 ZINC000244748513 497368261 /nfs/dbraw/zinc/36/82/61/497368261.db2.gz OJASRLBJFOZNDL-UHFFFAOYSA-N -1 0 365.817 3.220 50 0 FGAARM O=C([O-])[C@H](CC(F)F)NC(=O)c1cc(C2CC2)nc2ccc(F)cc21 ZINC000263005620 497679294 /nfs/dbraw/zinc/67/92/94/497679294.db2.gz MSCGKSGRKFODSK-AWEZNQCLSA-N -1 0 352.312 3.090 50 0 FGAARM CN(C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc(OCC(=O)[O-])cc1 ZINC000263027740 497685541 /nfs/dbraw/zinc/68/55/41/497685541.db2.gz MNHJVZOAJQGBHU-NEPJUHHUSA-N -1 0 359.344 3.482 50 0 FGAARM Cc1c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cnn1-c1ccc(F)cc1F ZINC000532005898 504502631 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571179257 /nfs/dbraw/zinc/17/92/57/571179257.db2.gz VYQFTHSCUQXHLB-UHFFFAOYSA-O -1 0 373.461 3.145 50 0 FGAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000001026578 219355077 /nfs/dbraw/zinc/35/50/77/219355077.db2.gz PAXAEHGNKXGNGZ-UHFFFAOYSA-N -1 0 365.354 3.354 50 0 FGAARM CCOc1cc(/C=C2/NC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000001439585 204006879 /nfs/dbraw/zinc/00/68/79/204006879.db2.gz PEIFLSAPYZSIQZ-OQLLNIDSSA-N -1 0 372.808 3.498 50 0 FGAARM COc1cc(C(=O)[O-])ccc1OCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000003246573 204084733 /nfs/dbraw/zinc/08/47/33/204084733.db2.gz COZRDRYIMOFRFC-UHFFFAOYSA-N -1 0 369.295 3.430 50 0 FGAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 ZINC000003277408 204086944 /nfs/dbraw/zinc/08/69/44/204086944.db2.gz QCUNQWSOLRTNOS-OAHLLOKOSA-N -1 0 365.838 3.394 50 0 FGAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2CCc2ccccc2)cc1 ZINC000003269555 204087266 /nfs/dbraw/zinc/08/72/66/204087266.db2.gz MWXFCEJKUCTVED-UHFFFAOYSA-N -1 0 369.446 3.373 50 0 FGAARM 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Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2cccc(Cl)c2C)cc1 ZINC000006845713 204275549 /nfs/dbraw/zinc/27/55/49/204275549.db2.gz WFXIYQZJDPWRCA-UHFFFAOYSA-N -1 0 353.827 3.237 50 0 FGAARM Cn1cc(C(=O)c2cc(F)ccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000007719368 204304443 /nfs/dbraw/zinc/30/44/43/204304443.db2.gz VXHODSGIJQTEON-UHFFFAOYSA-N -1 0 363.348 3.004 50 0 FGAARM Cc1cc(OCc2nc(S[C@@H]3C[C@H](C)OC3=O)n[nH]2)ccc1Cl ZINC000008265222 204323177 /nfs/dbraw/zinc/32/31/77/204323177.db2.gz XYZKUMVTVGXCBH-JOYOIKCWSA-N -1 0 353.831 3.142 50 0 FGAARM CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)/C=C/C(=O)[O-] ZINC000008429669 204331318 /nfs/dbraw/zinc/33/13/18/204331318.db2.gz UNRBUMMSTNRQAW-MDZDMXLPSA-N -1 0 367.430 3.200 50 0 FGAARM CSCc1c2ccccc2oc1C(=O)[N-]n1cnc2sccc2c1=O ZINC000008776409 204345077 /nfs/dbraw/zinc/34/50/77/204345077.db2.gz WZHLVGSBQCHTHN-UHFFFAOYSA-N -1 0 371.443 3.451 50 0 FGAARM CCOc1ccccc1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000009339202 204364246 /nfs/dbraw/zinc/36/42/46/204364246.db2.gz 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ZINC000012930981 204511759 /nfs/dbraw/zinc/51/17/59/204511759.db2.gz OUSXNAQPSLFFDM-UHFFFAOYSA-N -1 0 370.430 3.008 50 0 FGAARM Cc1nc(SC(F)F)[n-]c(=O)c1CCC(=O)N1CCc2ccccc21 ZINC000040023687 205050432 /nfs/dbraw/zinc/05/04/32/205050432.db2.gz JALZGSPVRPVPOW-UHFFFAOYSA-N -1 0 365.405 3.327 50 0 FGAARM COc1cccc([C@@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)c1OC ZINC000041633964 205091461 /nfs/dbraw/zinc/09/14/61/205091461.db2.gz BTMBFPOMXKBWPW-AWEZNQCLSA-N -1 0 374.466 3.007 50 0 FGAARM Cc1ccc(C)c(C(=O)c2ccccc2C(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000299744131 205126641 /nfs/dbraw/zinc/12/66/41/205126641.db2.gz RDTIWMKIXWKDGB-HNNXBMFYSA-N -1 0 351.402 3.081 50 0 FGAARM CCCn1nc(C)cc1CN(C)c1ccc(NC(=O)CC)cc1C(=O)[O-] ZINC000046053642 205129683 /nfs/dbraw/zinc/12/96/83/205129683.db2.gz PSUWRUOYYWSTEH-UHFFFAOYSA-N -1 0 358.442 3.285 50 0 FGAARM Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000085877959 205175981 /nfs/dbraw/zinc/17/59/81/205175981.db2.gz LSAQHUMDVCGBNH-CYBMUJFWSA-N -1 0 365.341 3.083 50 0 FGAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccccc1C ZINC000065183847 205321992 /nfs/dbraw/zinc/32/19/92/205321992.db2.gz KAZFZLHGDQMEOH-UHFFFAOYSA-N -1 0 350.469 3.332 50 0 FGAARM CCc1oc2ccccc2c1[C@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065469800 205353355 /nfs/dbraw/zinc/35/33/55/205353355.db2.gz BJOMVHNILGDIPW-LBPRGKRZSA-N -1 0 353.378 3.059 50 0 FGAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@@H]1c1ccccc1 ZINC000065478707 205354127 /nfs/dbraw/zinc/35/41/27/205354127.db2.gz TXYLPBXSAGFPNS-MRXNPFEDSA-N -1 0 351.431 3.189 50 0 FGAARM Cc1cccc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)c1C ZINC000065363260 205338800 /nfs/dbraw/zinc/33/88/00/205338800.db2.gz UJWLUOBNCUUUQD-UHFFFAOYSA-N -1 0 361.448 3.038 50 0 FGAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1c(C)c(C)sc1-n1cccc1)C(=O)[O-] ZINC000067689095 205384101 /nfs/dbraw/zinc/38/41/01/205384101.db2.gz FLZJWWCUTZFVHV-HNNXBMFYSA-N -1 0 372.450 3.051 50 0 FGAARM CCc1c(C)scc1C(=O)N1CCc2c(c(C(=O)[O-])nn2CC2CC2)C1 ZINC000067871611 205399210 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O=S(=O)([N-]C[C@@H](c1ccco1)N1CCCCC1)c1c(F)cccc1F ZINC000047031352 206080560 /nfs/dbraw/zinc/08/05/60/206080560.db2.gz WUNDUAIKIJVZGM-HNNXBMFYSA-N -1 0 370.421 3.063 50 0 FGAARM COc1cccc(-n2cc(C(=O)[O-])c3c2[C@H](c2ccncc2)CC(=O)N3)c1 ZINC000049543108 206089071 /nfs/dbraw/zinc/08/90/71/206089071.db2.gz XPSFXBFPMAJCDE-HNNXBMFYSA-N -1 0 363.373 3.053 50 0 FGAARM Cc1noc(C)c1[C@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237413918 206101125 /nfs/dbraw/zinc/10/11/25/206101125.db2.gz FFXMCRXTJALEDV-ZDUSSCGKSA-N -1 0 356.422 3.040 50 0 FGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000237660660 206107297 /nfs/dbraw/zinc/10/72/97/206107297.db2.gz KMYHQDXBADORDJ-MRXNPFEDSA-N -1 0 368.220 3.116 50 0 FGAARM Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000237652761 206107663 /nfs/dbraw/zinc/10/76/63/206107663.db2.gz CDEJRGJCWPMIPX-OAQYLSRUSA-N -1 0 351.402 3.163 50 0 FGAARM Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])cc2)n1 ZINC000237660176 206108187 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O=C(Nc1ccccc1)c1cc(S(=O)(=O)[N-]c2ccccn2)cs1 ZINC000005681602 206199527 /nfs/dbraw/zinc/19/95/27/206199527.db2.gz IFRGFQMHJXESQI-UHFFFAOYSA-N -1 0 359.432 3.196 50 0 FGAARM CCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(OC)cc2)c1=O ZINC000100621140 206223196 /nfs/dbraw/zinc/22/31/96/206223196.db2.gz IOBHSLAGTHQWDW-UHFFFAOYSA-N -1 0 366.417 3.056 50 0 FGAARM Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000005133994 206239596 /nfs/dbraw/zinc/23/95/96/206239596.db2.gz IDJRMNCVLNJESC-UHFFFAOYSA-N -1 0 353.827 3.466 50 0 FGAARM Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000005135000 206239643 /nfs/dbraw/zinc/23/96/43/206239643.db2.gz JXBPWGBEFUFTIG-UHFFFAOYSA-N -1 0 353.827 3.466 50 0 FGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1nc2c(s1)CCCCC2 ZINC000170627061 206277597 /nfs/dbraw/zinc/27/75/97/206277597.db2.gz QDFYNKGHPRKYHE-UHFFFAOYSA-N -1 0 372.493 3.061 50 0 FGAARM O=C1[N-]C(=O)/C(=C/c2cc(Br)ccc2OCc2ccccc2)N1 ZINC000012376544 206289798 /nfs/dbraw/zinc/28/97/98/206289798.db2.gz 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CC[C@@H](C)NC(=O)CCc1nnc(-c2cccc(O[C@@H](C)CC)c2)[n-]c1=O ZINC000034764946 494067760 /nfs/dbraw/zinc/06/77/60/494067760.db2.gz FNHWMJXMVHANDV-KGLIPLIRSA-N -1 0 372.469 3.269 50 0 FGAARM CCCCOc1cccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)c1 ZINC000034764843 494067985 /nfs/dbraw/zinc/06/79/85/494067985.db2.gz SHIKXQQJWVVJMZ-UHFFFAOYSA-N -1 0 372.469 3.128 50 0 FGAARM CC[C@@H](C)Oc1ccc(-c2nnc(CCC(=O)N[C@@H](C)CC)c(=O)[n-]2)cc1 ZINC000034763585 494068139 /nfs/dbraw/zinc/06/81/39/494068139.db2.gz GWSZWRHGZCEWLI-UONOGXRCSA-N -1 0 372.469 3.269 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(C)c2O)cc1OC ZINC000072301048 494148973 /nfs/dbraw/zinc/14/89/73/494148973.db2.gz BYFAYZPZYPBUAU-UHFFFAOYSA-N -1 0 357.815 3.172 50 0 FGAARM COc1cc(S(=O)(=O)[N-]c2cnc3ccccc3c2)c(OC)cc1C ZINC000072414244 494167688 /nfs/dbraw/zinc/16/76/88/494167688.db2.gz UPGFHZVAKWJQQE-UHFFFAOYSA-N -1 0 358.419 3.361 50 0 FGAARM O=S(=O)([N-]c1cccn2nc(C3CCC3)nc12)c1ccc(Cl)cc1 ZINC000065284020 494186379 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O=C([O-])CN(CC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1 ZINC000034926597 494070088 /nfs/dbraw/zinc/07/00/88/494070088.db2.gz DAGMBPPMDAQSQH-UHFFFAOYSA-N -1 0 366.461 3.059 50 0 FGAARM CN(C(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1)C1CCCCC1 ZINC000071286990 494090851 /nfs/dbraw/zinc/09/08/51/494090851.db2.gz LZGQJBGJUPQHQE-DLBZAZTESA-N -1 0 372.465 3.387 50 0 FGAARM O=C([O-])c1ccccc1CC(=O)Nc1nnc(CCc2ccccc2)s1 ZINC000071285240 494090998 /nfs/dbraw/zinc/09/09/98/494090998.db2.gz AUGHNXWJZVPSBL-UHFFFAOYSA-N -1 0 367.430 3.203 50 0 FGAARM O=C([O-])c1cc(-c2ccc3cc[nH]c3c2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071764392 494100513 /nfs/dbraw/zinc/10/05/13/494100513.db2.gz RCXXHDVVPXDGKJ-UHFFFAOYSA-N -1 0 370.430 3.318 50 0 FGAARM O=C([O-])c1cccc(C[C@H]2CCN(Cc3noc(-c4ccco4)n3)C2)c1 ZINC000072137406 494131685 /nfs/dbraw/zinc/13/16/85/494131685.db2.gz WEORNPUYYGKBMT-CQSZACIVSA-N -1 0 353.378 3.092 50 0 FGAARM Cc1cc2nc(CN3CCC[C@H]3c3nc4ccccc4s3)cc(=O)n2[n-]1 ZINC000072150211 494135825 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COc1ccc(OCCCC(=O)N[C@@H](CC(=O)[O-])c2cccs2)cc1 ZINC000012759841 494255507 /nfs/dbraw/zinc/25/55/07/494255507.db2.gz LPOVWHHPEVMALF-HNNXBMFYSA-N -1 0 363.435 3.248 50 0 FGAARM COc1ccc(NC(=O)CCc2c(C)[n-]n(-c3ccc(F)cc3)c2=O)cc1 ZINC000013017721 494275786 /nfs/dbraw/zinc/27/57/86/494275786.db2.gz USCKCKYEGQBMNT-UHFFFAOYSA-N -1 0 369.396 3.193 50 0 FGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000013187810 494281125 /nfs/dbraw/zinc/28/11/25/494281125.db2.gz DZGPGWCIKYLTSS-OAHLLOKOSA-N -1 0 351.761 3.434 50 0 FGAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccccc1C(F)(F)F ZINC000089280041 494283486 /nfs/dbraw/zinc/28/34/86/494283486.db2.gz KIJDMPVWIBPAFY-UHFFFAOYSA-N -1 0 361.389 3.365 50 0 FGAARM Cc1ccc(N2CCN(C(=O)[C@@H]3C4CCC(CC4)[C@@H]3C(=O)[O-])C[C@@H]2C)cc1 ZINC000013320941 494285640 /nfs/dbraw/zinc/28/56/40/494285640.db2.gz ZFJYZWLKSVMHGO-AAKURSQFSA-N -1 0 370.493 3.169 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc3ccccc3s2)c1 ZINC000013947962 494298649 /nfs/dbraw/zinc/29/86/49/494298649.db2.gz LMENBVVMKGABTP-UHFFFAOYSA-N -1 0 350.421 3.114 50 0 FGAARM O=c1nc(CSc2nnc(-c3ccc(F)cc3)o2)[n-]c2ccsc21 ZINC000014075893 494302320 /nfs/dbraw/zinc/30/23/20/494302320.db2.gz OUOHYULDUMHVDF-UHFFFAOYSA-N -1 0 360.395 3.466 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000043584415 494307367 /nfs/dbraw/zinc/30/73/67/494307367.db2.gz HAKMVPGVGFYRMT-JTQLQIEISA-N -1 0 358.207 3.305 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc(F)cc(Br)c2)C1 ZINC000043584412 494307425 /nfs/dbraw/zinc/30/74/25/494307425.db2.gz HAKMVPGVGFYRMT-SNVBAGLBSA-N -1 0 358.207 3.305 50 0 FGAARM O=C(c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1)N1CCCC1 ZINC000014253883 494313051 /nfs/dbraw/zinc/31/30/51/494313051.db2.gz RNDRQSAALOZESD-UHFFFAOYSA-N -1 0 366.389 3.002 50 0 FGAARM COC(=O)c1cc(C)sc1NC(=O)[C@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017072897 494406618 /nfs/dbraw/zinc/40/66/18/494406618.db2.gz AOQDSNKPBOJULV-RYUDHWBXSA-N -1 0 351.424 3.229 50 0 FGAARM COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017072896 494406759 /nfs/dbraw/zinc/40/67/59/494406759.db2.gz AOQDSNKPBOJULV-NEPJUHHUSA-N -1 0 351.424 3.229 50 0 FGAARM CCOc1ccccc1NC(=O)c1ccsc1NC(=O)CCC(=O)[O-] ZINC000017074532 494407529 /nfs/dbraw/zinc/40/75/29/494407529.db2.gz XNRQXMGEIFMLMV-UHFFFAOYSA-N -1 0 362.407 3.202 50 0 FGAARM Cn1ccc2c1cccc2C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091575161 494619765 /nfs/dbraw/zinc/61/97/65/494619765.db2.gz AKHWPOBMQKZTTH-ZWKOTPCHSA-N -1 0 366.392 3.258 50 0 FGAARM Cc1c([C@H](C)NC(=O)c2cc(=O)[nH][n-]2)cnn1-c1cccc2ccccc21 ZINC000091586186 494621532 /nfs/dbraw/zinc/62/15/32/494621532.db2.gz KYHDUKNUZLXOHD-LBPRGKRZSA-N -1 0 361.405 3.254 50 0 FGAARM O=C([O-])c1n[nH]cc1CN1CCc2onc(-c3cccc4ccccc43)c2C1 ZINC000067868429 494672133 /nfs/dbraw/zinc/67/21/33/494672133.db2.gz YMTWMDBFDJLEPY-UHFFFAOYSA-N -1 0 374.400 3.474 50 0 FGAARM CSCc1ccc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)o1 ZINC000091872877 494711902 /nfs/dbraw/zinc/71/19/02/494711902.db2.gz UVBDVWPKCCUBCC-JKSUJKDBSA-N -1 0 359.447 3.391 50 0 FGAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000091974163 494739173 /nfs/dbraw/zinc/73/91/73/494739173.db2.gz NSYFXBCLYQZKMX-KRWDZBQOSA-N -1 0 373.371 3.439 50 0 FGAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)c3ccc4nccnc4c3)C2)c1 ZINC000095358740 494963402 /nfs/dbraw/zinc/96/34/02/494963402.db2.gz WTEIBNIZCOPAIH-HNNXBMFYSA-N -1 0 361.401 3.033 50 0 FGAARM Cn1cnc2cc(C(=O)N3CCC[C@@H](c4ccc(C(=O)[O-])cc4)C3)ccc21 ZINC000095372472 494967557 /nfs/dbraw/zinc/96/75/57/494967557.db2.gz PWNVGHLWDGMCIT-QGZVFWFLSA-N -1 0 363.417 3.291 50 0 FGAARM COc1cc(C2(C(=O)Nc3cccc(OCC(=O)[O-])c3)CC2)ccc1C ZINC000095425122 494975106 /nfs/dbraw/zinc/97/51/06/494975106.db2.gz WVLXOZDJLLJDIA-UHFFFAOYSA-N -1 0 355.390 3.137 50 0 FGAARM Cc1cc(C)c2nc(C)cc(C(=O)N(C)[C@@H](C(=O)[O-])c3cccnc3)c2c1 ZINC000095525163 494987410 /nfs/dbraw/zinc/98/74/10/494987410.db2.gz GCHSFXLCSDZOLE-LJQANCHMSA-N -1 0 363.417 3.453 50 0 FGAARM CC[C@@](C)(CC(=O)[O-])NC(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000095989453 494993887 /nfs/dbraw/zinc/99/38/87/494993887.db2.gz XTPAKKVKPYFKFE-SFHVURJKSA-N -1 0 364.442 3.175 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4)c=3c2=O)cc1 ZINC000101260513 495068105 /nfs/dbraw/zinc/06/81/05/495068105.db2.gz KFRUWVIAJUAASG-HOTGVXAUSA-N -1 0 354.797 3.400 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101418077 495068571 /nfs/dbraw/zinc/06/85/71/495068571.db2.gz WERUHNNFMVNNLR-IRXDYDNUSA-N -1 0 368.824 3.450 50 0 FGAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N(C1CC1)C1CCCCC1 ZINC000170595409 495531565 /nfs/dbraw/zinc/53/15/65/495531565.db2.gz OWHFNFZYMLRJKD-UHFFFAOYSA-N -1 0 371.506 3.399 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N(C[C@H]3C[C@@H]3C)C(C)C)cc2[n-]c1=S ZINC000170640946 495541728 /nfs/dbraw/zinc/54/17/28/495541728.db2.gz KTXYZXGOXGGDFV-GXTWGEPZSA-N -1 0 359.495 3.212 50 0 FGAARM COc1ccc(Br)cc1CCC(=O)NC(C)(C)CCC(=O)[O-] ZINC000170671684 495556630 /nfs/dbraw/zinc/55/66/30/495556630.db2.gz WHVBTWMHLWBXNE-UHFFFAOYSA-N -1 0 372.259 3.150 50 0 FGAARM COCCn1cc(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c2ccccc21 ZINC000178184329 496361024 /nfs/dbraw/zinc/36/10/24/496361024.db2.gz MQNSBVAHIFJQNK-UHFFFAOYSA-N -1 0 370.405 3.160 50 0 FGAARM CCOc1cc(C(=O)N2[C@H](C)C[C@H]3CCCC[C@H]32)ccc1OCC(=O)[O-] ZINC000268875226 496811636 /nfs/dbraw/zinc/81/16/36/496811636.db2.gz APMUIKKXTLTWEB-IIAWOOMASA-N -1 0 361.438 3.342 50 0 FGAARM CC(C)c1ccc(-c2noc(CCC(=O)N3CC[C@](C)(C(=O)[O-])C3)n2)cc1 ZINC000236854108 497156786 /nfs/dbraw/zinc/15/67/86/497156786.db2.gz XJZUDFLVYUWULV-FQEVSTJZSA-N -1 0 371.437 3.116 50 0 FGAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(OCC(F)(F)F)cc1 ZINC000237598607 497261117 /nfs/dbraw/zinc/26/11/17/497261117.db2.gz QAMNPZGYRVLZLY-JTQLQIEISA-N -1 0 368.311 3.212 50 0 FGAARM Cc1cc(Cl)c(Cl)cc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000252485672 497303458 /nfs/dbraw/zinc/30/34/58/497303458.db2.gz HBMLJKSAHZFUEX-UHFFFAOYSA-N -1 0 359.234 3.202 50 0 FGAARM C[C@@H]1CN(C(=O)Cc2ccc(C(=O)[O-])cc2)C[C@H](c2ccc(F)cc2)O1 ZINC000262748905 497614019 /nfs/dbraw/zinc/61/40/19/497614019.db2.gz BKRXMIOGKPXSAX-FZKQIMNGSA-N -1 0 357.381 3.055 50 0 FGAARM C[C@@H](NC(=O)[C@H](C)c1c(F)cccc1F)c1ccc(OCC(=O)[O-])cc1 ZINC000263194964 497729904 /nfs/dbraw/zinc/72/99/04/497729904.db2.gz YABIDERXNWRDNB-VXGBXAGGSA-N -1 0 363.360 3.409 50 0 FGAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@H](Cc2ccccn2)c2ccccc2)C1 ZINC000263340047 497762369 /nfs/dbraw/zinc/76/23/69/497762369.db2.gz NFKHMARUQZABTF-HHXXYDBFSA-N -1 0 367.449 3.118 50 0 FGAARM CN(CC1(CO)CCOCC1)C(=O)c1cccc(-c2ccc(F)cc2O)c1 ZINC000299783695 497921658 /nfs/dbraw/zinc/92/16/58/497921658.db2.gz XNDDHPGUBPTMBR-UHFFFAOYSA-N -1 0 373.424 3.059 50 0 FGAARM COc1ccc2c(c1)CCc1cnc(-n3ncc(C(=O)[O-])c3C3CC3)nc1-2 ZINC000299801766 497928973 /nfs/dbraw/zinc/92/89/73/497928973.db2.gz YXJZXCFRJPLZHL-UHFFFAOYSA-N -1 0 362.389 3.012 50 0 FGAARM Cc1c(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)sc2cccc(F)c12 ZINC000328780268 498936718 /nfs/dbraw/zinc/93/67/18/498936718.db2.gz MIMDYIXJLYLSAX-JTQLQIEISA-N -1 0 360.414 3.192 50 0 FGAARM COc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc(Cl)c1OC(C)C ZINC000408526060 499591623 /nfs/dbraw/zinc/59/16/23/499591623.db2.gz DLBFQTZMEMYNLG-CYBMUJFWSA-N -1 0 355.818 3.215 50 0 FGAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)Nc3ccc(Cl)cc3)C2)n1 ZINC000426500340 500280597 /nfs/dbraw/zinc/28/05/97/500280597.db2.gz WQBPWDLNXVCQAP-LBPRGKRZSA-N -1 0 362.817 3.033 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2cc(-c3ccccc3C)[nH]n2)cc1OC ZINC000079015935 525077143 /nfs/dbraw/zinc/07/71/43/525077143.db2.gz QSFBJOIXUONESQ-UHFFFAOYSA-N -1 0 373.434 3.203 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000020722064 526271826 /nfs/dbraw/zinc/27/18/26/526271826.db2.gz NVXNIZMBTQALDU-LLVKDONJSA-N -1 0 364.854 3.329 50 0 FGAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2cccc(Br)c2)o1 ZINC000262651964 526275896 /nfs/dbraw/zinc/27/58/96/526275896.db2.gz LLLDFYNZVVFYGS-LBPRGKRZSA-N -1 0 351.200 3.153 50 0 FGAARM CCC[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC1 ZINC000104062679 570856409 /nfs/dbraw/zinc/85/64/09/570856409.db2.gz SHRLUUCTMRUDHE-CYBMUJFWSA-N -1 0 359.495 3.265 50 0 FGAARM CC[C@@H](C)n1ncc(C(=O)NCCc2cccc(C(=O)[O-])c2)c1C1CC1 ZINC000191176305 571179570 /nfs/dbraw/zinc/17/95/70/571179570.db2.gz BXTCLEDQCZUWBC-CYBMUJFWSA-N -1 0 355.438 3.402 50 0 FGAARM O=c1[nH]c(-c2ccc3c(c2)CCO3)c(-c2c(=O)oc3ccccc3c2[O-])[nH]1 ZINC000524729153 571190766 /nfs/dbraw/zinc/19/07/66/571190766.db2.gz GNOKGPHWPZQPSW-UHFFFAOYSA-N -1 0 362.341 3.196 50 0 FGAARM Cc1cc(S(=O)(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)c(C)s1 ZINC000322342857 713813120 /nfs/dbraw/zinc/81/31/20/713813120.db2.gz CMNIDSIXRLJUBG-CYBMUJFWSA-N -1 0 351.449 3.132 50 0 FGAARM COC[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C1CCC(C(=O)[O-])CC1 ZINC000630299214 716432314 /nfs/dbraw/zinc/43/23/14/716432314.db2.gz QSHUIXHOQCQPFK-XUJLQICISA-N -1 0 353.846 3.377 50 0 FGAARM O=C([O-])C1CCC(CNC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000952963045 762536440 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356.403 3.112 50 0 FGAARM COC(=O)c1cc(C(C)C)sc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000005727438 204223596 /nfs/dbraw/zinc/22/35/96/204223596.db2.gz WMTZEVRQUNQPLP-WDEREUQCSA-N -1 0 353.440 3.488 50 0 FGAARM COc1ccc(-c2cc(C(=O)N[C@@H](C)C(=O)[O-])c3ccccc3n2)cc1 ZINC000006007554 204233645 /nfs/dbraw/zinc/23/36/45/204233645.db2.gz KBRJUNGIHJCLCW-LBPRGKRZSA-N -1 0 350.374 3.113 50 0 FGAARM CCCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000006361931 204245909 /nfs/dbraw/zinc/24/59/09/204245909.db2.gz HWGIPVVVSDSHCO-UHFFFAOYSA-N -1 0 363.439 3.028 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2cccc3cccnc32)cc1NC(C)=O ZINC000007709467 204303942 /nfs/dbraw/zinc/30/39/42/204303942.db2.gz YOBDUDVLMWKVEP-UHFFFAOYSA-N -1 0 371.418 3.003 50 0 FGAARM COc1ccc(-c2cc(=O)n(-c3nc4ccccc4s3)[n-]2)cc1OC ZINC000009227014 204359855 /nfs/dbraw/zinc/35/98/55/204359855.db2.gz WRLHQTMKUULWID-UHFFFAOYSA-N -1 0 353.403 3.460 50 0 FGAARM Cc1nnc(SCc2nc(=O)c3sccc3[n-]2)n1-c1ccccc1C ZINC000009368597 204365415 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O=C1Nc2ccc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)c3cccc1c23 ZINC000032915920 494028033 /nfs/dbraw/zinc/02/80/33/494028033.db2.gz YYNLKEYFHPSMLH-UHFFFAOYSA-N -1 0 360.341 3.485 50 0 FGAARM CCOc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000033932330 494064183 /nfs/dbraw/zinc/06/41/83/494064183.db2.gz BVAGJMJLHXLYCC-PTNGSMBKSA-N -1 0 352.346 3.298 50 0 FGAARM CN(C(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1)C1CCCCC1 ZINC000071286996 494090488 /nfs/dbraw/zinc/09/04/88/494090488.db2.gz LZGQJBGJUPQHQE-SJORKVTESA-N -1 0 372.465 3.387 50 0 FGAARM O=C([O-])c1cc(-c2cccc3cnccc32)cc(S(=O)(=O)NC2CC2)c1 ZINC000071762671 494099351 /nfs/dbraw/zinc/09/93/51/494099351.db2.gz WTHRGSXFUYSVNI-UHFFFAOYSA-N -1 0 368.414 3.041 50 0 FGAARM Cc1ccc(-c2cnc(CCC(=O)NC3(C(=O)[O-])CCCCC3)o2)cc1 ZINC000071802796 494102341 /nfs/dbraw/zinc/10/23/41/494102341.db2.gz JBUYPXOUCSZZDR-UHFFFAOYSA-N -1 0 356.422 3.486 50 0 FGAARM CSCC[C@@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000008743358 494102404 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CCCc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1CC(=O)[O-] ZINC000012778971 494258444 /nfs/dbraw/zinc/25/84/44/494258444.db2.gz XLIWNEWIBMSEGU-NSHDSACASA-N -1 0 372.450 3.160 50 0 FGAARM COc1ccc(NC(C)=O)cc1NC(=O)CSc1ccccc1C(=O)[O-] ZINC000012983527 494273703 /nfs/dbraw/zinc/27/37/03/494273703.db2.gz UQEUSMINDCFRSK-UHFFFAOYSA-N -1 0 374.418 3.083 50 0 FGAARM CSCC[C@@H](NC(=O)c1ccc2[nH]c3c(c2c1)C[C@@H](C)CC3)C(=O)[O-] ZINC000012993168 494274803 /nfs/dbraw/zinc/27/48/03/494274803.db2.gz XMGFTLOXMIBKJC-APPDUMDISA-N -1 0 360.479 3.229 50 0 FGAARM CCCNC(=O)c1ccccc1NC(=O)C[C@H](C(=O)[O-])c1ccccc1 ZINC000013466769 494288402 /nfs/dbraw/zinc/28/84/02/494288402.db2.gz IJNBBBUIIVCYLE-INIZCTEOSA-N -1 0 354.406 3.023 50 0 FGAARM CN(C)c1ccc(Br)c(S(=O)(=O)[N-]c2ccccc2)c1 ZINC000089323078 494289691 /nfs/dbraw/zinc/28/96/91/494289691.db2.gz MPGUCJFYQPHRDU-UHFFFAOYSA-N -1 0 355.257 3.316 50 0 FGAARM CCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013676780 494293440 /nfs/dbraw/zinc/29/34/40/494293440.db2.gz RUAYMGJRBBVCPC-LBPRGKRZSA-N -1 0 352.481 3.467 50 0 FGAARM CCCCC(=O)Nc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000013944143 494298101 /nfs/dbraw/zinc/29/81/01/494298101.db2.gz YYEDCQXLUBNFQI-UHFFFAOYSA-N -1 0 361.423 3.151 50 0 FGAARM COc1cccc([N-]S(=O)(=O)c2c(C)nn(-c3ccccc3)c2C)c1 ZINC000014255916 494313210 /nfs/dbraw/zinc/31/32/10/494313210.db2.gz BAJYLBQAFJBUDK-UHFFFAOYSA-N -1 0 357.435 3.299 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(Cl)cc2F)C[C@H]1C(=O)[O-] ZINC000014632539 494322275 /nfs/dbraw/zinc/32/22/75/494322275.db2.gz VMECCTUGTIFMGB-JQWIXIFHSA-N -1 0 359.781 3.321 50 0 FGAARM Cc1ccc(N(CCC#N)S(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1C ZINC000078797276 494362945 /nfs/dbraw/zinc/36/29/45/494362945.db2.gz HUFPLRLZRDTLCD-UHFFFAOYSA-N -1 0 372.446 3.419 50 0 FGAARM O=S(=O)([N-]c1ccccc1-c1nc[nH]n1)c1cccc2ccccc21 ZINC000089873265 494388874 /nfs/dbraw/zinc/38/88/74/494388874.db2.gz IVTSIHTXNYJWBB-UHFFFAOYSA-N -1 0 350.403 3.426 50 0 FGAARM Cc1c(Cn2c(=O)c3c4c(sc3[n-]c2=S)CCCCC4)cnn1C ZINC000017074320 494407963 /nfs/dbraw/zinc/40/79/63/494407963.db2.gz UJVWHTNXSTXGOZ-UHFFFAOYSA-N -1 0 360.508 3.480 50 0 FGAARM CC[C@]1(c2ccccc2)C(=O)[N-]C(=O)N(C(=O)c2ccc(F)cc2)C1=O ZINC000017207098 494409664 /nfs/dbraw/zinc/40/96/64/494409664.db2.gz XJNXRSOVTSTDDT-IBGZPJMESA-N -1 0 354.337 3.233 50 0 FGAARM CCOC(=O)Cc1c(C)nc2c(-c3ccc(Cl)cc3)c(C)[n-]n2c1=O ZINC000017778938 494416154 /nfs/dbraw/zinc/41/61/54/494416154.db2.gz UKHNRQGWQDNMLV-UHFFFAOYSA-N -1 0 359.813 3.065 50 0 FGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1cc(-c2ccccc2)on1 ZINC000018263497 494431861 /nfs/dbraw/zinc/43/18/61/494431861.db2.gz RNJUUJOUSFIXED-UHFFFAOYSA-N -1 0 372.402 3.070 50 0 FGAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@]1(C)CCc2ccccc2C1 ZINC000079427846 494452128 /nfs/dbraw/zinc/45/21/28/494452128.db2.gz SGKJOTISYRAVAM-HXUWFJFHSA-N -1 0 367.474 3.138 50 0 FGAARM O=C([O-])[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)c1ccccc1)c1ccccc1 ZINC000020426352 494472185 /nfs/dbraw/zinc/47/21/85/494472185.db2.gz UUTGNTUSZXGHCR-IPMKNSEASA-N -1 0 363.413 3.394 50 0 FGAARM CCc1nc(-c2csc(S(=O)(=O)[N-]c3cccc(OC)c3)c2)no1 ZINC000021701997 494502991 /nfs/dbraw/zinc/50/29/91/494502991.db2.gz AZQPBGPKAHEWBH-UHFFFAOYSA-N -1 0 365.436 3.170 50 0 FGAARM CCc1ccccc1-n1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000023125913 494550412 /nfs/dbraw/zinc/55/04/12/494550412.db2.gz GBCFTTBRQKJBIB-HZPDHXFCSA-N -1 0 354.797 3.400 50 0 FGAARM O=C([O-])c1ccncc1Nc1ccc(I)cc1F ZINC000091302225 494578406 /nfs/dbraw/zinc/57/84/06/494578406.db2.gz LKJJUICFLVYDJQ-UHFFFAOYSA-N -1 0 358.110 3.267 50 0 FGAARM Cc1cc(NCc2nnc3n2CCCCC3)nc(-c2ccccc2[O-])n1 ZINC000091563260 494618954 /nfs/dbraw/zinc/61/89/54/494618954.db2.gz YNXQNPZOOGOKIL-UHFFFAOYSA-N -1 0 350.426 3.088 50 0 FGAARM Cc1ccc(-n2cnnc2SCC(=O)[N-]OCc2ccccc2)cc1C ZINC000025285922 494716279 /nfs/dbraw/zinc/71/62/79/494716279.db2.gz YZNZBQDRUAWXSX-UHFFFAOYSA-N -1 0 368.462 3.224 50 0 FGAARM CCOc1ccccc1C(=O)N1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000092046685 494768754 /nfs/dbraw/zinc/76/87/54/494768754.db2.gz KAOSDFRRHPFHLM-ZWKOTPCHSA-N -1 0 353.418 3.334 50 0 FGAARM COc1ccccc1-n1nc(-c2ccc3c(c2)OCCO3)cc1C(=O)[O-] ZINC000025763974 494777211 /nfs/dbraw/zinc/77/72/11/494777211.db2.gz PZTPRRHHDHECFR-UHFFFAOYSA-N -1 0 352.346 3.017 50 0 FGAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)c(C)c2)n1 ZINC000075505061 494780287 /nfs/dbraw/zinc/78/02/87/494780287.db2.gz HMEVCSWBAMHHPU-UHFFFAOYSA-N -1 0 360.439 3.408 50 0 FGAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(C)c2)n1 ZINC000075505098 494780899 /nfs/dbraw/zinc/78/08/99/494780899.db2.gz WWYIMAAIIMFREQ-UHFFFAOYSA-N -1 0 360.439 3.353 50 0 FGAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccc3c(c2)CCC3)cc1OC ZINC000026531451 494830453 /nfs/dbraw/zinc/83/04/53/494830453.db2.gz NFBCELVRUUZYTB-UHFFFAOYSA-N -1 0 351.399 3.132 50 0 FGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)CCc2cccs2)cc1OC ZINC000095377546 494968514 /nfs/dbraw/zinc/96/85/14/494968514.db2.gz SFZYKWJJAUWXJG-AWEZNQCLSA-N -1 0 363.435 3.030 50 0 FGAARM O=C([O-])c1ccc([C@H]2CCCN(S(=O)(=O)c3ccccc3F)C2)cc1 ZINC000095379719 494970205 /nfs/dbraw/zinc/97/02/05/494970205.db2.gz WIVXZYQWSIGPAF-HNNXBMFYSA-N -1 0 363.410 3.092 50 0 FGAARM CS(=O)(=O)c1ccc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)cc1 ZINC000095382450 494970678 /nfs/dbraw/zinc/97/06/78/494970678.db2.gz VQBLPYYHUAMDLZ-GOSISDBHSA-N -1 0 373.474 3.168 50 0 FGAARM CC(C)Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2cccc(Cl)c2)n(C)n1 ZINC000095510763 494983567 /nfs/dbraw/zinc/98/35/67/494983567.db2.gz FNZBSZIJQCHWPQ-OAHLLOKOSA-N -1 0 363.845 3.218 50 0 FGAARM CCN(C(=O)c1ccc(-n2ncc(C(=O)[O-])c2C(F)(F)F)cc1)C(C)C ZINC000095989924 494994013 /nfs/dbraw/zinc/99/40/13/494994013.db2.gz FVQYSKCQHXIZCD-UHFFFAOYSA-N -1 0 369.343 3.460 50 0 FGAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(F)c(F)c2)n1 ZINC000096379764 495011267 /nfs/dbraw/zinc/01/12/67/495011267.db2.gz WXJHXXFDWVBMKS-UHFFFAOYSA-N -1 0 368.365 3.069 50 0 FGAARM COc1ccc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cc1C ZINC000098002278 495046397 /nfs/dbraw/zinc/04/63/97/495046397.db2.gz ZHNUEJIIGAOWOF-UVTDQMKNSA-N -1 0 362.385 3.356 50 0 FGAARM CCCCn1c2ccccc2c([O-])c(-c2nc3ccccc3c(=O)[nH]2)c1=O ZINC000100329699 495064743 /nfs/dbraw/zinc/06/47/43/495064743.db2.gz IDYVZIWJWFDPKZ-UHFFFAOYSA-N -1 0 361.401 3.411 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000101418373 495068565 /nfs/dbraw/zinc/06/85/65/495068565.db2.gz VZAXEYZSNRJNFS-OALUTQOASA-N -1 0 362.433 3.359 50 0 FGAARM CCc1ccc(NCc2cc(=O)n3nc(-c4cccs4)[n-]c3n2)cc1 ZINC000101841992 495102133 /nfs/dbraw/zinc/10/21/33/495102133.db2.gz AFINNHXAWIUGTM-UHFFFAOYSA-N -1 0 351.435 3.321 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N[C@@H]3CCc4ccccc43)cc2[n-]c1=S ZINC000102262590 495126926 /nfs/dbraw/zinc/12/69/26/495126926.db2.gz JDRJJVYCPUWYIH-MRXNPFEDSA-N -1 0 365.458 3.122 50 0 FGAARM O=C([O-])c1cccc(C(=O)N(CCOc2ccccc2)C[C@@H]2CCCO2)c1 ZINC000102545917 495141415 /nfs/dbraw/zinc/14/14/15/495141415.db2.gz IWYKDALNVVYUMP-IBGZPJMESA-N -1 0 369.417 3.085 50 0 FGAARM CSc1ccc([C@@H]2C3C(=O)CCCC3=Nc3nc(C(=O)[O-])nn32)cc1 ZINC000102590498 495144325 /nfs/dbraw/zinc/14/43/25/495144325.db2.gz KFQVMDXPVTVDBB-CQSZACIVSA-N -1 0 356.407 3.370 50 0 FGAARM COc1ccc([C@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)[O-])cc1O ZINC000170618371 495535710 /nfs/dbraw/zinc/53/57/10/495535710.db2.gz IBBLTWHPHJFAOY-CQSZACIVSA-N -1 0 374.418 3.005 50 0 FGAARM Cc1ccc(OCC(=O)NC[C@H](Cc2ccccc2C)C(=O)[O-])c(C)c1 ZINC000170672566 495555990 /nfs/dbraw/zinc/55/59/90/495555990.db2.gz FTRRVEXGWBZOAN-SFHVURJKSA-N -1 0 355.434 3.050 50 0 FGAARM COc1ccc(-c2nnc(S(=O)(=O)[C@H](C)c3ccccc3)[n-]2)c(OC)c1 ZINC000195188894 496844940 /nfs/dbraw/zinc/84/49/40/496844940.db2.gz BIDLWVAAEUHPFW-GFCCVEGCSA-N -1 0 373.434 3.024 50 0 FGAARM O=C([O-])C1(C(=O)N2CCC(OCc3ccc(Cl)c(Cl)c3)CC2)CC1 ZINC000192982552 497265751 /nfs/dbraw/zinc/26/57/51/497265751.db2.gz AEKYHRMUFDRNIM-UHFFFAOYSA-N -1 0 372.248 3.366 50 0 FGAARM Cc1nc(-c2ccccc2)ncc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237704659 497279267 /nfs/dbraw/zinc/27/92/67/497279267.db2.gz LPDOAOMKZDFBSZ-INIZCTEOSA-N -1 0 353.422 3.312 50 0 FGAARM Cc1cnn(-c2cc(NN=Cc3cc(Cl)cc(Cl)c3[O-])ncn2)c1 ZINC000252620432 497312782 /nfs/dbraw/zinc/31/27/82/497312782.db2.gz MEBDEEHACRYYCW-UHFFFAOYSA-N -1 0 363.208 3.429 50 0 FGAARM CCc1oc(C(=O)NC2(c3cccc(F)c3)CCOCC2)cc1C(=O)[O-] ZINC000261688220 497433444 /nfs/dbraw/zinc/43/34/44/497433444.db2.gz RJUCDRXDLMGEOO-UHFFFAOYSA-N -1 0 361.369 3.115 50 0 FGAARM Cc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000263223547 497736571 /nfs/dbraw/zinc/73/65/71/497736571.db2.gz ZLNBUFYYGMIFOL-CYBMUJFWSA-N -1 0 365.838 3.303 50 0 FGAARM CN(Cc1ccc(Cl)s1)C(=O)CN1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299744543 497911177 /nfs/dbraw/zinc/91/11/77/497911177.db2.gz SUXGMNXMQAEXPQ-YUTCNCBUSA-N -1 0 370.902 3.078 50 0 FGAARM Cc1sc([C@H]2CCCN2c2nc3ccccc3c(=O)[nH]2)nc1C(=O)[O-] ZINC000578511204 505957228 /nfs/dbraw/zinc/95/72/28/505957228.db2.gz KSQPBEODFFWULZ-GFCCVEGCSA-N -1 0 356.407 3.140 50 0 FGAARM CCOc1cc(C(=O)N2C[C@H](C)c3ccccc32)ccc1OCC(=O)[O-] ZINC000408513220 499591452 /nfs/dbraw/zinc/59/14/52/499591452.db2.gz SXHOFNATKOFQCO-ZDUSSCGKSA-N -1 0 355.390 3.313 50 0 FGAARM CCCOc1c(Cl)cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1OC ZINC000269046327 520295190 /nfs/dbraw/zinc/29/51/90/520295190.db2.gz SSABXMCBXXSGPI-QGZVFWFLSA-N -1 0 355.818 3.074 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000237319522 522432820 /nfs/dbraw/zinc/43/28/20/522432820.db2.gz NZBIAYOVNHDLBP-OLZOCXBDSA-N -1 0 361.344 3.092 50 0 FGAARM Cc1oc(-c2ccsc2)nc1CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000268934742 526749001 /nfs/dbraw/zinc/74/90/01/526749001.db2.gz GSUGOKHAFVNIPQ-WQVCFCJDSA-N -1 0 374.462 3.498 50 0 FGAARM CCC(NCCC1=CCCCC1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000101083746 535226541 /nfs/dbraw/zinc/22/65/41/535226541.db2.gz KMSCPBUCEQWPLK-ISLYRVAYSA-N -1 0 367.449 3.414 50 0 FGAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(c3cnc4ccccc4n3)CC2)n1 ZINC000072476626 535376819 /nfs/dbraw/zinc/37/68/19/535376819.db2.gz QHUMNNKJAZVBJY-UHFFFAOYSA-N -1 0 365.437 3.030 50 0 FGAARM CCN(C(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O)c1ccccc1 ZINC000102759378 570838132 /nfs/dbraw/zinc/83/81/32/570838132.db2.gz BUOZTTAWQFDKGF-UHFFFAOYSA-N -1 0 353.447 3.372 50 0 FGAARM Cn1c(/C(C#N)=C/c2ccccc2OCC(=O)[O-])nnc1-c1ccccc1 ZINC000096401881 571083373 /nfs/dbraw/zinc/08/33/73/571083373.db2.gz QQYDULVXHILQTL-LFIBNONCSA-N -1 0 360.373 3.010 50 0 FGAARM CCOc1ccccc1-c1nn(C(C)(C)C)cc1C(=O)N(C)[C@@H](C)C(=O)[O-] ZINC000170047855 571261306 /nfs/dbraw/zinc/26/13/06/571261306.db2.gz XQXQWYZQAPNWOG-ZDUSSCGKSA-N -1 0 373.453 3.249 50 0 FGAARM Cc1cc(C)c(NC(=O)CN(C)C(=O)c2cccc(C(=O)[O-])c2)c(C)c1 ZINC000237080296 598136056 /nfs/dbraw/zinc/13/60/56/598136056.db2.gz RPFHSJGPOXIENQ-UHFFFAOYSA-N -1 0 354.406 3.021 50 0 FGAARM O=C(N=c1ccc(C2CC2)n[n-]1)NCc1ccccc1CC(F)(F)F ZINC000626442116 715906658 /nfs/dbraw/zinc/90/66/58/715906658.db2.gz RZORSLYIBYQENY-UHFFFAOYSA-N -1 0 350.344 3.202 50 0 FGAARM C[C@H](NC(=O)Nc1cc(Br)ccn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653544244 719055555 /nfs/dbraw/zinc/05/55/55/719055555.db2.gz QYGHBKLNUQYOGV-INTQDDNPSA-N -1 0 370.247 3.101 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000136116913 203814732 /nfs/dbraw/zinc/81/47/32/203814732.db2.gz BZSQTVSZGMQPEH-SNVBAGLBSA-N -1 0 368.220 3.116 50 0 FGAARM O=C([O-])CCN1C(=O)c2ccc(NC(=O)CCC3CCCCC3)cc2C1=O ZINC000000692854 203944512 /nfs/dbraw/zinc/94/45/12/203944512.db2.gz LLMHYLXORGNOEE-UHFFFAOYSA-N -1 0 372.421 3.056 50 0 FGAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000002560865 204043383 /nfs/dbraw/zinc/04/33/83/204043383.db2.gz HIQJNYPOWPXYIC-QGZVFWFLSA-N -1 0 369.417 3.438 50 0 FGAARM CC(C)C[C@@H](NC(=O)COc1ccc(Oc2ccccc2)cc1)C(=O)[O-] ZINC000003214851 204081958 /nfs/dbraw/zinc/08/19/58/204081958.db2.gz PEBVZFCOIPCAIO-GOSISDBHSA-N -1 0 357.406 3.473 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Nc2ccc(Cl)cc2)c1 ZINC000003209944 204082396 /nfs/dbraw/zinc/08/23/96/204082396.db2.gz WXNHBSZDFOJHTO-UHFFFAOYSA-N -1 0 354.815 3.483 50 0 FGAARM O=C([O-])[C@H]1CS[C@H](c2ccc(-c3ccc(Br)cc3)o2)N1 ZINC000002740146 204055187 /nfs/dbraw/zinc/05/51/87/204055187.db2.gz PQMCDJKJBBHIMS-ZWNOBZJWSA-N -1 0 354.225 3.497 50 0 FGAARM C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@@H]3[C@@H]1CCC2=O ZINC000003830786 204111996 /nfs/dbraw/zinc/11/19/96/204111996.db2.gz JKKFKPJIXZFSSB-CVYDXHPNSA-N -1 0 350.436 3.293 50 0 in-man FGAARM COc1ccccc1C1=NN(C(=O)CCC(=O)[O-])[C@@H](c2ccccc2)C1 ZINC000003892314 204113537 /nfs/dbraw/zinc/11/35/37/204113537.db2.gz XDIFKBRYQLDELE-QGZVFWFLSA-N -1 0 352.390 3.238 50 0 FGAARM COc1ccccc1[C@@H]1CC(c2ccccc2)=NN1C(=O)CCC(=O)[O-] ZINC000004680774 204153848 /nfs/dbraw/zinc/15/38/48/204153848.db2.gz BAXFZMUUXQZGFK-KRWDZBQOSA-N -1 0 352.390 3.238 50 0 FGAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])N2C(=O)c3ccccc3C2=O)cc1 ZINC000004722001 204157919 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CC[C@@H](C)[C@H](NC(=O)c1cccc2c1C(=O)N(c1ccccc1)C2)C(=O)[O-] ZINC000005302977 204202341 /nfs/dbraw/zinc/20/23/41/204202341.db2.gz YJGMCTQZQMPBKJ-ACJLOTCBSA-N -1 0 366.417 3.076 50 0 FGAARM CCCCCCOC(=O)[C@@H](CC(=O)CCCCCC)S(=O)(=O)[O-] ZINC000005711655 204221707 /nfs/dbraw/zinc/22/17/07/204221707.db2.gz WQFNDPSYAAGRFO-OAHLLOKOSA-N -1 0 350.477 3.296 50 0 FGAARM COC(=O)c1cc(C(C)C)sc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000005727432 204223641 /nfs/dbraw/zinc/22/36/41/204223641.db2.gz WMTZEVRQUNQPLP-MNOVXSKESA-N -1 0 353.440 3.488 50 0 FGAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(OC)cc1 ZINC000006362022 204245776 /nfs/dbraw/zinc/24/57/76/204245776.db2.gz GSBZIAFABGTDLX-CYBMUJFWSA-N -1 0 362.451 3.024 50 0 FGAARM O=C([O-])c1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 ZINC000006400872 204246857 /nfs/dbraw/zinc/24/68/57/204246857.db2.gz QJPYXLQCGRYVIK-ZROIWOOFSA-N -1 0 372.174 3.492 50 0 FGAARM COc1cccc(C(=O)NCc2n[n-]c(=S)n2-c2cccc(C)c2)c1 ZINC000006502100 204250725 /nfs/dbraw/zinc/25/07/25/204250725.db2.gz RBKGLDKIANCLEK-UHFFFAOYSA-N -1 0 354.435 3.177 50 0 FGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(F)c1 ZINC000007002818 204285812 /nfs/dbraw/zinc/28/58/12/204285812.db2.gz RXZUSXHHAMBAGS-UHFFFAOYSA-N -1 0 368.430 3.067 50 0 FGAARM C[C@@H](Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C(=O)[O-] ZINC000007277128 204294246 /nfs/dbraw/zinc/29/42/46/204294246.db2.gz CPFHCKJCKZWNML-GFCCVEGCSA-N -1 0 350.382 3.244 50 0 FGAARM Cc1cc(C)nc(SCC(=O)Nc2nc3ccc(C(=O)[O-])cc3s2)n1 ZINC000006667878 204259173 /nfs/dbraw/zinc/25/91/73/204259173.db2.gz AQUKXYCJOBQQIL-UHFFFAOYSA-N -1 0 374.447 3.132 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000008699242 204339165 /nfs/dbraw/zinc/33/91/65/204339165.db2.gz MXJJJGPIDKFWKX-CHWSQXEVSA-N -1 0 370.243 3.484 50 0 FGAARM COc1ccc2c(c1OC)C(=O)O[C@@H]2c1c(=O)[nH][n-]c1-c1ccccc1 ZINC000009059597 204353469 /nfs/dbraw/zinc/35/34/69/204353469.db2.gz ANQZDMGJNYKOJM-INIZCTEOSA-N -1 0 352.346 3.059 50 0 FGAARM CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000010460752 204396912 /nfs/dbraw/zinc/39/69/12/204396912.db2.gz BKFVFIYSYPXDFW-ZWKOTPCHSA-N -1 0 372.465 3.388 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)cc2Cl)C[C@H]1C(=O)[O-] ZINC000014632452 204583715 /nfs/dbraw/zinc/58/37/15/204583715.db2.gz STNUIKGLJLSHPH-JQWIXIFHSA-N -1 0 359.781 3.321 50 0 FGAARM Cc1cc(=O)n2[n-]c(NCc3ccccc3)c(NC(=O)c3ccccc3)c2n1 ZINC000019772777 204707973 /nfs/dbraw/zinc/70/79/73/204707973.db2.gz AQJHAVYURSRGJG-UHFFFAOYSA-N -1 0 373.416 3.195 50 0 FGAARM COc1ccc(-c2nnc(SCC(=O)[O-])n2-c2ccc(C)cc2)cc1 ZINC000033622966 204972170 /nfs/dbraw/zinc/97/21/70/204972170.db2.gz VLYKLWXPNVTJLA-UHFFFAOYSA-N -1 0 355.419 3.428 50 0 FGAARM COC(=O)c1cc([N-]S(=O)(=O)c2ccc(F)cc2F)ccc1Cl ZINC000044329805 205108116 /nfs/dbraw/zinc/10/81/16/205108116.db2.gz FRJSTURJZKMPEE-UHFFFAOYSA-N -1 0 361.753 3.206 50 0 FGAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C(C)C)cc1OC ZINC000045922985 205126055 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Cc1cc(S(=O)(=O)[N-]c2cccn3c2nnc3C2CCC2)ccc1F ZINC000065228811 205325486 /nfs/dbraw/zinc/32/54/86/205325486.db2.gz RVDXGIYMDPPAJW-UHFFFAOYSA-N -1 0 360.414 3.245 50 0 FGAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1ccc(-c2nnc(C)o2)o1 ZINC000065246191 205329037 /nfs/dbraw/zinc/32/90/37/205329037.db2.gz NERSTWXFBUYLLU-UHFFFAOYSA-N -1 0 369.786 3.101 50 0 FGAARM CCOc1ccc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)cc1 ZINC000064919978 205310579 /nfs/dbraw/zinc/31/05/79/205310579.db2.gz BPNHFPUOXHSNEE-UHFFFAOYSA-N -1 0 365.436 3.306 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)cc1 ZINC000064979405 205313394 /nfs/dbraw/zinc/31/33/94/205313394.db2.gz NNVFTDXUIWPKDZ-UHFFFAOYSA-N -1 0 374.418 3.468 50 0 FGAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCC[C@@H]1c1ccsc1 ZINC000065478583 205353640 /nfs/dbraw/zinc/35/36/40/205353640.db2.gz GZWYJJKQBRNPJS-CQSZACIVSA-N -1 0 357.460 3.251 50 0 FGAARM CN(C(=O)c1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1)C1CCCCC1 ZINC000071286992 205425440 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COc1cc(CN(C)Cc2cc(C)cc(C)n2)ccc1O[C@@H](C)C(=O)[O-] ZINC000215153104 496979086 /nfs/dbraw/zinc/97/90/86/496979086.db2.gz PBSIUYVAENHROG-HNNXBMFYSA-N -1 0 358.438 3.191 50 0 FGAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H](OC1CCCC1)c1ccccc1 ZINC000225481985 497065230 /nfs/dbraw/zinc/06/52/30/497065230.db2.gz VTJOJUCWWBUDHA-UXHICEINSA-N -1 0 367.445 3.499 50 0 FGAARM CCOc1c(Br)cc(Cl)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC000229351228 497097021 /nfs/dbraw/zinc/09/70/21/497097021.db2.gz BONGFUCGWIKTTR-ZCFIWIBFSA-N -1 0 350.596 3.160 50 0 FGAARM C[C@@H](c1ccc([S@](C)=O)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237604944 497262684 /nfs/dbraw/zinc/26/26/84/497262684.db2.gz BPABGSOCQOHKPV-VCGICTTQSA-N -1 0 351.449 3.017 50 0 FGAARM Cc1c(C(=O)N(CCC(=O)[O-])C2CCOCC2)sc2cccc(F)c12 ZINC000237730522 497282882 /nfs/dbraw/zinc/28/28/82/497282882.db2.gz AJDIEKHDFKJPLD-UHFFFAOYSA-N -1 0 365.426 3.445 50 0 FGAARM CC(C)(C(=O)[N-]S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1F ZINC000252484790 497303831 /nfs/dbraw/zinc/30/38/31/497303831.db2.gz GHTRYOPTROYXLB-UHFFFAOYSA-N -1 0 355.818 3.262 50 0 FGAARM Cc1ccc2c(CC(=O)[N-]S(=O)(=O)Cc3ccc(C)cc3C)c[nH]c2c1 ZINC000252498336 497307026 /nfs/dbraw/zinc/30/70/26/497307026.db2.gz QYZUKAXEKJHTEW-UHFFFAOYSA-N -1 0 370.474 3.282 50 0 FGAARM C[C@H]1CCCCN1C(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])n2)cc1 ZINC000262586718 497578234 /nfs/dbraw/zinc/57/82/34/497578234.db2.gz GVQVMWSXJBHCTJ-ZDUSSCGKSA-N -1 0 367.405 3.047 50 0 FGAARM CC[C@@H](C)Oc1cc(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])ccn1 ZINC000262766850 497616587 /nfs/dbraw/zinc/61/65/87/497616587.db2.gz LTAYNOXDIQYAHB-ACJLOTCBSA-N -1 0 354.406 3.083 50 0 FGAARM Cc1nn(CCNS(=O)(=O)c2cccs2)c(C)c1-c1ccsc1 ZINC000575616129 505984114 /nfs/dbraw/zinc/98/41/14/505984114.db2.gz WVBIEHXZFVPCHM-UHFFFAOYSA-N -1 0 367.521 3.268 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237319871 522431212 /nfs/dbraw/zinc/43/12/12/522431212.db2.gz DDJQXAGEHLVCFK-GJZGRUSLSA-N -1 0 361.344 3.092 50 0 FGAARM CCn1c2ccccc2c([O-])c(-c2nc(-c3cccc(OC)c3)no2)c1=O ZINC000101725535 570822901 /nfs/dbraw/zinc/82/29/01/570822901.db2.gz CQLNKSMFOKDZAD-UHFFFAOYSA-N -1 0 363.373 3.453 50 0 FGAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CC(=O)N1CCCC1 ZINC000101831106 570824729 /nfs/dbraw/zinc/82/47/29/570824729.db2.gz NLUOEKTUAILDRM-UHFFFAOYSA-N -1 0 368.462 3.175 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(Cl)c4)c=3c2=O)cc1F ZINC000102819386 570839938 /nfs/dbraw/zinc/83/99/38/570839938.db2.gz BKCJVSSQZJWMNS-CABCVRRESA-N -1 0 358.760 3.285 50 0 FGAARM CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000236696086 571121904 /nfs/dbraw/zinc/12/19/04/571121904.db2.gz AUMFVTSZVWVGTD-IZHWHUGBSA-N -1 0 351.468 3.062 50 0 FGAARM CCCn1c(=O)c(C(=O)Nc2ccc(Cl)cn2)c([O-])c2ccccc21 ZINC000000862360 695535584 /nfs/dbraw/zinc/53/55/84/695535584.db2.gz GOPLRAQVPACAMQ-UHFFFAOYSA-N -1 0 357.797 3.418 50 0 FGAARM O=C([O-])c1ccc(/C=C2\NC(=S)N(Cc3ccccc3Cl)C2=O)cc1 ZINC000007336483 695567152 /nfs/dbraw/zinc/56/71/52/695567152.db2.gz ZRHLQLZSBHKPSU-DHDCSXOGSA-N -1 0 372.833 3.296 50 0 FGAARM CCOc1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1Cl ZINC000001067406 219363283 /nfs/dbraw/zinc/36/32/83/219363283.db2.gz MZPBQWLWTQDGGS-UHFFFAOYSA-N -1 0 355.799 3.238 50 0 FGAARM CC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc21 ZINC000013697025 209584247 /nfs/dbraw/zinc/58/42/47/209584247.db2.gz KCFBMXWSFYQJOC-UHFFFAOYSA-N -1 0 350.827 3.050 50 0 FGAARM CC(C)n1c2ccccc2nc1[C@@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000154886626 209478182 /nfs/dbraw/zinc/47/81/82/209478182.db2.gz XGBPCWGNTOXSKD-CQSZACIVSA-N -1 0 355.438 3.188 50 0 FGAARM CCOc1ccc(-c2nnc3ccc(S[C@H](CC)C(=O)[O-])nn32)cc1 ZINC000004165127 209414796 /nfs/dbraw/zinc/41/47/96/209414796.db2.gz HIMKKUSVAIYKPI-CYBMUJFWSA-N -1 0 358.423 3.145 50 0 FGAARM CC(C)Oc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1 ZINC000002100167 209394459 /nfs/dbraw/zinc/39/44/59/209394459.db2.gz GMCHGVIZFRHAMD-IBGZPJMESA-N -1 0 366.417 3.381 50 0 FGAARM C[C@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000001464530 209390366 /nfs/dbraw/zinc/39/03/66/209390366.db2.gz OPJMPDNYXRIESN-GMROUXNLSA-N -1 0 361.444 3.070 50 0 FGAARM COc1cc(C)c([C@H](C)NC(=O)c2c([O-])cc(F)cc2F)cc1OC ZINC000127508999 209365571 /nfs/dbraw/zinc/36/55/71/209365571.db2.gz NZOVFDJBDYISML-JTQLQIEISA-N -1 0 351.349 3.487 50 0 FGAARM O=C([O-])CCN(C(=O)Cc1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000238065280 209358754 /nfs/dbraw/zinc/35/87/54/209358754.db2.gz GIDACQVQLNTQPQ-UHFFFAOYSA-N -1 0 360.237 3.018 50 0 FGAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cn1 ZINC000238013156 209357830 /nfs/dbraw/zinc/35/78/30/209357830.db2.gz FFHARIQVWOJANB-CQSZACIVSA-N -1 0 353.403 3.367 50 0 FGAARM O=C([O-])CCN(C(=O)/C=C/c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000238071187 209357354 /nfs/dbraw/zinc/35/73/54/209357354.db2.gz ITPMMWWXLQDMDU-DAFODLJHSA-N -1 0 372.248 3.489 50 0 FGAARM O=C([O-])c1ccc(C(=O)N2CCO[C@@H](c3ccc(F)c(Cl)c3)C2)s1 ZINC000237997045 209357491 /nfs/dbraw/zinc/35/74/91/209357491.db2.gz ZRAHYYGBJQIFQL-GFCCVEGCSA-N -1 0 369.801 3.453 50 0 FGAARM Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237695454 209352067 /nfs/dbraw/zinc/35/20/67/209352067.db2.gz JQHKGSWYMKBRQO-NSHDSACASA-N -1 0 350.827 3.319 50 0 FGAARM Cn1c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc2cc(C(F)(F)F)ccc21 ZINC000237714795 209351760 /nfs/dbraw/zinc/35/17/60/209351760.db2.gz CATCETFWTNBDAS-MRXNPFEDSA-N -1 0 354.328 3.134 50 0 FGAARM COc1cc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237315958 209344508 /nfs/dbraw/zinc/34/45/08/209344508.db2.gz DDJQXAGEHLVCFK-HUUCEWRRSA-N -1 0 361.344 3.092 50 0 FGAARM CSc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)cc4)c=3c2=O)c1 ZINC000102820775 209242245 /nfs/dbraw/zinc/24/22/45/209242245.db2.gz KCHCIYRYTLKFQL-CABCVRRESA-N -1 0 356.382 3.045 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000102820636 209242063 /nfs/dbraw/zinc/24/20/63/209242063.db2.gz XWODSCGRIDPNRQ-JKSUJKDBSA-N -1 0 354.797 3.455 50 0 FGAARM Cn1c(=O)c2ccc(C(=O)N[C@@H](c3ccccc3)C3CC3)cc2[n-]c1=S ZINC000102602504 209237943 /nfs/dbraw/zinc/23/79/43/209237943.db2.gz JYNUVHULTUJMJZ-KRWDZBQOSA-N -1 0 365.458 3.103 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000101418515 209224976 /nfs/dbraw/zinc/22/49/76/209224976.db2.gz SWXRTGXXIOUDOL-OALUTQOASA-N -1 0 362.433 3.414 50 0 FGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000101167164 209222098 /nfs/dbraw/zinc/22/20/98/209222098.db2.gz XTGUJWGSUFYLCC-IRXDYDNUSA-N -1 0 368.824 3.396 50 0 FGAARM Cc1[n-]n2c(nc(CSc3nccc(C)n3)cc2=O)c1-c1ccccc1 ZINC000100644913 209216313 /nfs/dbraw/zinc/21/63/13/209216313.db2.gz WIKXUQUGQRHEDC-UHFFFAOYSA-N -1 0 363.446 3.389 50 0 FGAARM O=c1c([C@H](O)c2ccc(O)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000100355050 209213411 /nfs/dbraw/zinc/21/34/11/209213411.db2.gz UNZQVXZVSXDPPT-UONOGXRCSA-N -1 0 350.296 3.007 50 0 FGAARM COc1ccc(-n2cnc3c2[C@H](c2ccc(C(=O)[O-])cc2)CC(=O)N3)cc1 ZINC000096335726 209151963 /nfs/dbraw/zinc/15/19/63/209151963.db2.gz JHQOVNJUUUWCOL-INIZCTEOSA-N -1 0 363.373 3.053 50 0 FGAARM O=C([O-])c1ccc(/C=C2/N=C(c3ccccc3OC(F)F)OC2=O)cc1 ZINC000096635203 206807608 /nfs/dbraw/zinc/80/76/08/206807608.db2.gz VDSYUIKIFHPCAW-UKTHLTGXSA-N -1 0 359.284 3.331 50 0 FGAARM CSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)[O-])cc1)Nc1ccccc1-2 ZINC000000675536 206823847 /nfs/dbraw/zinc/82/38/47/206823847.db2.gz ZUBDWJHMUOOGAG-HNNXBMFYSA-N -1 0 366.402 3.462 50 0 FGAARM Cc1cccc(C(=O)[O-])c1NC(=O)[C@H]1Cc2ccc(Cl)cc2C(=O)O1 ZINC000009970572 206875628 /nfs/dbraw/zinc/87/56/28/206875628.db2.gz QWMWAHOUUPGGFC-CQSZACIVSA-N -1 0 359.765 3.067 50 0 FGAARM Cc1c2cc(S(=O)(=O)N(C)C3CCCCC3)ccc2oc1C(=O)[O-] ZINC000002944836 206947163 /nfs/dbraw/zinc/94/71/63/206947163.db2.gz GEJHWURZGSHQBU-UHFFFAOYSA-N -1 0 351.424 3.393 50 0 FGAARM CS(=O)(=O)N(CC(=O)[O-])c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 ZINC000004174227 207005434 /nfs/dbraw/zinc/00/54/34/207005434.db2.gz DCNGPDPUCQUBES-UHFFFAOYSA-N -1 0 363.479 3.005 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000004483775 207020797 /nfs/dbraw/zinc/02/07/97/207020797.db2.gz MQGRSFUEDJQDNX-IAGOWNOFSA-N -1 0 368.824 3.450 50 0 FGAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccs3)n2)cc1 ZINC000004548510 207026843 /nfs/dbraw/zinc/02/68/43/207026843.db2.gz RQASIYUMLVLPRX-AATRIKPKSA-N -1 0 358.448 3.092 50 0 FGAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(=O)c3ccccc3Cl)cc2)N1 ZINC000004554628 207028362 /nfs/dbraw/zinc/02/83/62/207028362.db2.gz OMWZNQIVAWNFFV-GJZGRUSLSA-N -1 0 363.822 3.347 50 0 FGAARM O=C([O-])[C@H](Cc1ccccc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O ZINC000004681909 207037982 /nfs/dbraw/zinc/03/79/82/207037982.db2.gz MYKVEESSMOYIFU-AWEZNQCLSA-N -1 0 364.184 3.285 50 0 FGAARM Cc1c(NS(=O)(=O)c2ccc(Br)cc2)cccc1C(=O)[O-] ZINC000004756881 207045958 /nfs/dbraw/zinc/04/59/58/207045958.db2.gz MFWKRVBCSHNWKZ-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM COc1ccc(-c2ccc(CCC(=O)[O-])n2NC(=O)c2ccco2)cc1 ZINC000004727771 207041895 /nfs/dbraw/zinc/04/18/95/207041895.db2.gz WVNDDSBRSQCIFJ-UHFFFAOYSA-N -1 0 354.362 3.158 50 0 FGAARM O=C([O-])c1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)c1 ZINC000004821067 207051340 /nfs/dbraw/zinc/05/13/40/207051340.db2.gz KWMGXWVHPSYSPA-GFCCVEGCSA-N -1 0 358.781 3.030 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(C)=O ZINC000004884671 207058117 /nfs/dbraw/zinc/05/81/17/207058117.db2.gz OHZWVBKTQUAEIN-CYBMUJFWSA-N -1 0 374.462 3.184 50 0 FGAARM O=C([O-])Cn1ncc2c3ccccc3n(Cc3ccc(Cl)cc3)c2c1=O ZINC000004912450 207061458 /nfs/dbraw/zinc/06/14/58/207061458.db2.gz JXVSBPBVRMRJSM-UHFFFAOYSA-N -1 0 367.792 3.138 50 0 FGAARM C[C@@H](Sc1nnc(COc2ccccc2)n1-c1ccccc1)C(=O)[O-] ZINC000005015006 207072234 /nfs/dbraw/zinc/07/22/34/207072234.db2.gz PCJHPSHWRFNSTL-CYBMUJFWSA-N -1 0 355.419 3.412 50 0 FGAARM Cc1cc2c(C)cc(=O)[nH]c2c(S(=O)(=O)[N-]c2cccc(F)c2C)c1 ZINC000006667958 207153640 /nfs/dbraw/zinc/15/36/40/207153640.db2.gz UGIJZVPCRAYRGK-UHFFFAOYSA-N -1 0 360.410 3.393 50 0 FGAARM Cc1cccc(NC(=O)CCCC2=Nc3ccccc3S(=O)(=O)[N-]2)c1 ZINC000006914157 207177903 /nfs/dbraw/zinc/17/79/03/207177903.db2.gz FURDQCGKOSDNML-UHFFFAOYSA-N -1 0 357.435 3.126 50 0 FGAARM O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000008720275 207243756 /nfs/dbraw/zinc/24/37/56/207243756.db2.gz LRCPAOHOFLGBLZ-UHFFFAOYSA-N -1 0 361.297 3.084 50 0 FGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cccc(F)c1 ZINC000011990455 207333302 /nfs/dbraw/zinc/33/33/02/207333302.db2.gz QZZSWAYTVOXQPI-UHFFFAOYSA-N -1 0 371.393 3.274 50 0 FGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)ccc1F)O[C@@H](C)C2 ZINC000012560517 207394565 /nfs/dbraw/zinc/39/45/65/207394565.db2.gz KEOKZAHWJBEDOI-JTQLQIEISA-N -1 0 369.389 3.488 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1cc(OC)c(C)cc1OC ZINC000032603676 208031484 /nfs/dbraw/zinc/03/14/84/208031484.db2.gz DBHHLCIHOKHFOV-UHFFFAOYSA-N -1 0 351.424 3.212 50 0 FGAARM CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1NCCC(=O)[O-] ZINC000035671836 208134924 /nfs/dbraw/zinc/13/49/24/208134924.db2.gz HRIIJIHQJYZYJO-UHFFFAOYSA-N -1 0 368.326 3.120 50 0 FGAARM COc1cccc(-n2cnc3c2NC(=O)C[C@H]3c2ccc(C(=O)[O-])cc2)c1 ZINC000036359766 208157885 /nfs/dbraw/zinc/15/78/85/208157885.db2.gz MCVIDTUVGOULLF-INIZCTEOSA-N -1 0 363.373 3.053 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-n3cccc3)c2)ccc1F ZINC000075572519 208196136 /nfs/dbraw/zinc/19/61/36/208196136.db2.gz YMFBWSRKMJIKHZ-UHFFFAOYSA-N -1 0 360.366 3.115 50 0 FGAARM CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)c1 ZINC000040088295 208225566 /nfs/dbraw/zinc/22/55/66/208225566.db2.gz YHQTUDOXMUAGJY-UHFFFAOYSA-N -1 0 354.391 3.209 50 0 FGAARM Cc1cc(S(=O)(=O)Cc2ccc(C(=O)[O-])o2)ccc1Br ZINC000040478881 208254096 /nfs/dbraw/zinc/25/40/96/208254096.db2.gz LBBXZCKHIDSBGR-UHFFFAOYSA-N -1 0 359.197 3.023 50 0 FGAARM O=C([O-])C1CCC(NC(=O)c2ccccc2OCc2cscn2)CC1 ZINC000299742132 208337374 /nfs/dbraw/zinc/33/73/74/208337374.db2.gz HCBYBNLFMRBQIX-UHFFFAOYSA-N -1 0 360.435 3.095 50 0 FGAARM CC(C)N1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@@H]1c1ccc2c(c1)OCO2 ZINC000045922996 208342521 /nfs/dbraw/zinc/34/25/21/208342521.db2.gz ABZPCBFILWMKGA-MSOLQXFVSA-N -1 0 353.374 3.189 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)[O-])O[C@H]2C[C@@H]1O ZINC000044682019 208317580 /nfs/dbraw/zinc/31/75/80/208317580.db2.gz KAQKFAOMNZTLHT-FWUHEUQWSA-N -1 0 352.471 3.409 50 0 FGAARM CC(C)[S@](=O)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cc1 ZINC000299751781 208361808 /nfs/dbraw/zinc/36/18/08/208361808.db2.gz RRNHFLARJVCAEY-GHSHNVOESA-N -1 0 363.479 3.061 50 0 FGAARM COc1ccc(CNC(=O)[C@@H]2SCCc3ccccc32)cc1C(=O)[O-] ZINC000299753781 208363569 /nfs/dbraw/zinc/36/35/69/208363569.db2.gz ZIFORCAZBJHMGG-QGZVFWFLSA-N -1 0 357.431 3.040 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2sc(C(C)C)nc2C)c1 ZINC000048272175 208396675 /nfs/dbraw/zinc/39/66/75/208396675.db2.gz HJLAUXUMPLZCDT-UHFFFAOYSA-N -1 0 368.480 3.326 50 0 FGAARM C[C@@H](CCn1cccn1)n1cc(Oc2ccccc2)c(=O)c(C(=O)[O-])c1 ZINC000065373304 208668208 /nfs/dbraw/zinc/66/82/08/208668208.db2.gz 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FGAARM COC[C@@H](C)N(Cc1cc(F)ccc1F)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000097785527 209196117 /nfs/dbraw/zinc/19/61/17/209196117.db2.gz AWLFLPYDECOYAL-GFCCVEGCSA-N -1 0 363.360 3.340 50 0 FGAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 ZINC000000808242 206833766 /nfs/dbraw/zinc/83/37/66/206833766.db2.gz JVJRLHNCSKYQBW-IBGZPJMESA-N -1 0 374.400 3.172 50 0 FGAARM COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)[O-])c3N2)cc1OC ZINC000000866052 206840974 /nfs/dbraw/zinc/84/09/74/206840974.db2.gz GJZRYLIDOYMMKF-GWCFXTLKSA-N -1 0 371.315 3.259 50 0 FGAARM O=C([O-])C1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1 ZINC000004333363 207013229 /nfs/dbraw/zinc/01/32/29/207013229.db2.gz DRGCOKHCPQEOLA-UHFFFAOYSA-N -1 0 354.406 3.214 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000004483608 207021110 /nfs/dbraw/zinc/02/11/10/207021110.db2.gz BGRJEFLTMICTST-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM COC(=O)[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ccc2ccccc2c1 ZINC000004600544 207032811 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CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)cc1 ZINC000006770669 207162267 /nfs/dbraw/zinc/16/22/67/207162267.db2.gz MEQFEFUWIQGCHP-IAGOWNOFSA-N -1 0 370.359 3.021 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2OC(F)F)c1 ZINC000006919607 207176995 /nfs/dbraw/zinc/17/69/95/207176995.db2.gz IJEWOTPZSVMGEZ-UHFFFAOYSA-N -1 0 359.350 3.106 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2ccccc2Br)cc1OC ZINC000007056301 207185540 /nfs/dbraw/zinc/18/55/40/207185540.db2.gz WPZXLTFEOQPBPJ-UHFFFAOYSA-N -1 0 372.240 3.267 50 0 FGAARM COc1cc(NC(=O)CCOc2cccc(C)c2)c(C(=O)[O-])cc1OC ZINC000008188296 207221539 /nfs/dbraw/zinc/22/15/39/207221539.db2.gz DGTHFJFNYQYFDN-UHFFFAOYSA-N -1 0 359.378 3.118 50 0 FGAARM Cc1nc2[n-]c(NC(=O)c3ccc(C(C)(C)C)cc3)nn2c(=O)c1Cl ZINC000008613527 207238932 /nfs/dbraw/zinc/23/89/32/207238932.db2.gz KVZITHHSSXHQFR-UHFFFAOYSA-N -1 0 359.817 3.342 50 0 FGAARM Cc1ccc(C)c(-n2cnnc2SCc2nc(=O)c3sccc3[n-]2)c1 ZINC000008747197 207246401 /nfs/dbraw/zinc/24/64/01/207246401.db2.gz PZZMLYQCWLDAPO-UHFFFAOYSA-N -1 0 369.475 3.474 50 0 FGAARM O=c1nc(NCc2ccncc2)[n-]nc1Cc1ccc(Cl)cc1Cl ZINC000009344030 207268598 /nfs/dbraw/zinc/26/85/98/207268598.db2.gz JZWXQYAFQLDILL-UHFFFAOYSA-N -1 0 362.220 3.070 50 0 FGAARM COc1ccc(OC)c(NC(=O)Nc2c([O-])c3ccccc3oc2=O)c1 ZINC000009607578 207278180 /nfs/dbraw/zinc/27/81/80/207278180.db2.gz PJUANBCJAXMAFS-UHFFFAOYSA-N -1 0 356.334 3.160 50 0 FGAARM CCCCC[C@H](O)CC[C@H]1[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-] ZINC000012496520 207382454 /nfs/dbraw/zinc/38/24/54/207382454.db2.gz WMHAOJIJVNDMKA-BRIYLRKRSA-N -1 0 358.519 3.491 50 0 endogenous,in-man FGAARM COc1ccc(NC(=O)/N=c2\[n-]nc(-c3cccc(OC)c3)s2)cc1 ZINC000018157120 207627429 /nfs/dbraw/zinc/62/74/29/207627429.db2.gz UEHVIUVNGBUSFZ-UHFFFAOYSA-N -1 0 356.407 3.288 50 0 FGAARM CCCCC[C@@H](O)/C=C/[C@@H]1[C@@H](O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000027645725 207935428 /nfs/dbraw/zinc/93/54/28/207935428.db2.gz PXGPLTODNUVGFL-FCINMJCXSA-N -1 0 354.487 3.043 50 0 in-vitro FGAARM CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)[O-])CC2=O)cc1 ZINC000031903466 208020743 /nfs/dbraw/zinc/02/07/43/208020743.db2.gz SXAGDYXSFFNFOI-HNNXBMFYSA-N -1 0 363.417 3.204 50 0 FGAARM COc1ccc([C@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1OC ZINC000298085132 208023644 /nfs/dbraw/zinc/02/36/44/208023644.db2.gz YAQUWGIIUKJYRN-GFCCVEGCSA-N -1 0 361.419 3.441 50 0 FGAARM CCn1c2ccc([N-]S(=O)(=O)c3ccccc3Cl)cc2oc1=O ZINC000033048749 208068464 /nfs/dbraw/zinc/06/84/64/208068464.db2.gz QFFFHZVERXNVSU-UHFFFAOYSA-N -1 0 352.799 3.069 50 0 FGAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(C(C)C)c2)s1 ZINC000033048518 208069325 /nfs/dbraw/zinc/06/93/25/208069325.db2.gz FWOYMGLPPSMKIU-UHFFFAOYSA-N -1 0 352.481 3.308 50 0 FGAARM CCc1nn2c([n-]1)nc(C)c(NC(=O)Nc1ccc(F)c(Cl)c1)c2=O ZINC000033266192 208080089 /nfs/dbraw/zinc/08/00/89/208080089.db2.gz PNWAFRZJCTWKKK-UHFFFAOYSA-N -1 0 364.768 3.137 50 0 FGAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N2CCCC2)cs1 ZINC000035405007 208125135 /nfs/dbraw/zinc/12/51/35/208125135.db2.gz VMNNVYPDJZDSIW-UHFFFAOYSA-N -1 0 364.492 3.347 50 0 FGAARM CC[C@H](C)NC(=O)CCc1nnc(-c2cccc(OCC(C)C)c2)[n-]c1=O ZINC000034765539 208109134 /nfs/dbraw/zinc/10/91/34/208109134.db2.gz ZRTZJEHEMWYKDA-AWEZNQCLSA-N -1 0 372.469 3.126 50 0 FGAARM CC[C@@H](C)Oc1cccc(-c2nnc(CCC(=O)N[C@@H](C)CC)c(=O)[n-]2)c1 ZINC000034764958 208109509 /nfs/dbraw/zinc/10/95/09/208109509.db2.gz FNHWMJXMVHANDV-UONOGXRCSA-N -1 0 372.469 3.269 50 0 FGAARM COc1ccc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccc1C ZINC000036623624 208168408 /nfs/dbraw/zinc/16/84/08/208168408.db2.gz YMJMSLJRNLVMKU-CRAIPNDOSA-N -1 0 359.447 3.371 50 0 FGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1ccc2c1cccc2Cl ZINC000036358595 208157040 /nfs/dbraw/zinc/15/70/40/208157040.db2.gz ODDPKEFJDYEYAG-INIZCTEOSA-N -1 0 356.809 3.107 50 0 FGAARM CC(C)[S@](=O)c1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000299751783 208361959 /nfs/dbraw/zinc/36/19/59/208361959.db2.gz RRNHFLARJVCAEY-UZAWLKMVSA-N -1 0 363.479 3.061 50 0 FGAARM CCCn1ncc(C(=O)N2CCC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c1C ZINC000072151724 208811302 /nfs/dbraw/zinc/81/13/02/208811302.db2.gz BFWVHNNNQRMKDG-KRWDZBQOSA-N -1 0 369.465 3.395 50 0 FGAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cccc(C)c2C)o1 ZINC000075504878 208887559 /nfs/dbraw/zinc/88/75/59/208887559.db2.gz JQLOLKFVGPHFJB-UHFFFAOYSA-N -1 0 360.439 3.408 50 0 FGAARM CCN(CC(=O)NC(C)(C)C(C)(C)C(=O)[O-])Cc1ccc(Cl)cc1 ZINC000095989449 209093452 /nfs/dbraw/zinc/09/34/52/209093452.db2.gz GHUIKQKVNNCKPV-UHFFFAOYSA-N -1 0 354.878 3.168 50 0 FGAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(SC)cc2)C1 ZINC000091974056 209009733 /nfs/dbraw/zinc/00/97/33/209009733.db2.gz FQUIIDKVXBVWQL-GOSISDBHSA-N -1 0 351.468 3.142 50 0 FGAARM CC(C)n1cc(S(=O)(=O)[N-]c2cc(-c3ccc(Cl)s3)[nH]n2)cn1 ZINC000095444334 209050807 /nfs/dbraw/zinc/05/08/07/209050807.db2.gz LWRJGUVOOULGCU-UHFFFAOYSA-N -1 0 371.875 3.370 50 0 FGAARM CCCn1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)c(C)n1 ZINC000095515151 209070930 /nfs/dbraw/zinc/07/09/30/209070930.db2.gz IRENFGYVSJSXHT-CQSZACIVSA-N -1 0 369.343 3.176 50 0 FGAARM O=C([O-])c1ccc([C@@H]2CCN(c3cc(N4CCCCC4)ncn3)C2)cc1 ZINC000077541752 132189443 /nfs/dbraw/zinc/18/94/43/132189443.db2.gz RNLYTBLOEYWBES-QGZVFWFLSA-N -1 0 352.438 3.159 50 0 FGAARM CSCC[C@H](NC(=O)N1c2ccccc2NC(=O)[C@@H]1C(C)C)C(=O)[O-] ZINC000008743356 132843860 /nfs/dbraw/zinc/84/38/60/132843860.db2.gz JUSXNBIUDHGAIG-JSGCOSHPSA-N -1 0 365.455 3.035 50 0 FGAARM O=C([O-])c1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1CCOCC1 ZINC000046053526 136122040 /nfs/dbraw/zinc/12/20/40/136122040.db2.gz FGCRFFVNUTVETL-UHFFFAOYSA-N -1 0 360.797 3.127 50 0 FGAARM Cc1cnc(C)c(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)n1 ZINC000071754496 136140356 /nfs/dbraw/zinc/14/03/56/136140356.db2.gz LPXGOTVSCREXPW-IBGZPJMESA-N -1 0 361.392 3.286 50 0 FGAARM CC(C)(C)c1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000000792201 493772442 /nfs/dbraw/zinc/77/24/42/493772442.db2.gz XPSYJAGAKLBZOM-HNNXBMFYSA-N -1 0 354.406 3.484 50 0 FGAARM Cc1cc(C)c(S(=O)(=O)[N-]c2nnc(C(F)(F)F)s2)c(C)c1 ZINC000000789830 493772653 /nfs/dbraw/zinc/77/26/53/493772653.db2.gz OTVUNWAHJYFVAU-UHFFFAOYSA-N -1 0 351.375 3.283 50 0 FGAARM COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)[O-])cc3N2)cc1OC ZINC000000866002 493776716 /nfs/dbraw/zinc/77/67/16/493776716.db2.gz CXVCWEZBTNWVKX-ZANVPECISA-N -1 0 371.315 3.259 50 0 FGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3cccs3)C2)cc1 ZINC000000869007 493776855 /nfs/dbraw/zinc/77/68/55/493776855.db2.gz DOKOPSYVKJJXKJ-OAHLLOKOSA-N -1 0 358.419 3.299 50 0 FGAARM CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)[N-]C3=O)cc2)nc1 ZINC000000968327 493780122 /nfs/dbraw/zinc/78/01/22/493780122.db2.gz HYAFETHFCAUJAY-QGZVFWFLSA-N -1 0 356.447 3.160 50 0 fda FGAARM Cc1ccc2nc(-c3ccc(NC(=O)COCC(=O)[O-])cc3)sc2c1 ZINC000001030886 493782311 /nfs/dbraw/zinc/78/23/11/493782311.db2.gz FDUBJRCBHWNMDO-UHFFFAOYSA-N -1 0 356.403 3.311 50 0 FGAARM Cc1c(NC(=O)COc2ccc(Br)cc2)cccc1C(=O)[O-] ZINC000001116799 493786025 /nfs/dbraw/zinc/78/60/25/493786025.db2.gz PAXGPWGAHZGMIV-UHFFFAOYSA-N -1 0 364.195 3.473 50 0 FGAARM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2ccccc2Cl)cc1 ZINC000028681111 493797499 /nfs/dbraw/zinc/79/74/99/493797499.db2.gz ULZXUBOHNUJRAJ-UHFFFAOYSA-N -1 0 350.827 3.033 50 0 FGAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc2c1CCCC2 ZINC000028694209 493798245 /nfs/dbraw/zinc/79/82/45/493798245.db2.gz BIMUHSYNVMUBAH-UHFFFAOYSA-N -1 0 351.449 3.214 50 0 FGAARM CCC[C@@H](NC(=O)Cc1c(C)c2cc3c(C)coc3cc2oc1=O)C(=O)[O-] ZINC000002097914 493801206 /nfs/dbraw/zinc/80/12/06/493801206.db2.gz QTXCTUGCCUYHGW-OAHLLOKOSA-N -1 0 371.389 3.068 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2ccccc2Cl)c1 ZINC000028813193 493802613 /nfs/dbraw/zinc/80/26/13/493802613.db2.gz UDTQPNCUKCTPTG-UHFFFAOYSA-N -1 0 353.827 3.020 50 0 FGAARM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2cnn(C[C@H]3CCCO3)c2)c1C ZINC000058342202 493845174 /nfs/dbraw/zinc/84/51/74/493845174.db2.gz YSVZODCQWMTZAB-QGZVFWFLSA-N -1 0 363.483 3.097 50 0 FGAARM COc1ccccc1C(=O)[N-]C(=O)COc1cc(Cl)ccc1Cl ZINC000003516850 493850690 /nfs/dbraw/zinc/85/06/90/493850690.db2.gz ACUITZYLCZXALQ-UHFFFAOYSA-N -1 0 354.189 3.337 50 0 FGAARM CC(C)Oc1ccc([C@H](CC(=O)[O-])NC(=O)COc2ccccc2)cc1 ZINC000003623798 493857144 /nfs/dbraw/zinc/85/71/44/493857144.db2.gz PVOMLYCMUZXHFP-SFHVURJKSA-N -1 0 357.406 3.185 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1Cl ZINC000003884831 493859102 /nfs/dbraw/zinc/85/91/02/493859102.db2.gz HFPIDSHXIYBBPA-UHFFFAOYSA-N -1 0 369.870 3.285 50 0 FGAARM COc1ccc(Cl)cc1NC(=O)c1c([O-])c2sccc2n(C)c1=O ZINC000049409462 493873954 /nfs/dbraw/zinc/87/39/54/493873954.db2.gz AXBPFXWEZLFJND-UHFFFAOYSA-N -1 0 364.810 3.220 50 0 FGAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1ccc(O)cc1 ZINC000049545698 493875592 /nfs/dbraw/zinc/87/55/92/493875592.db2.gz ZRKCEDMSLDQXAS-OAHLLOKOSA-N -1 0 366.348 3.494 50 0 FGAARM CC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000005647251 493938519 /nfs/dbraw/zinc/93/85/19/493938519.db2.gz VEZVKIYGIJDQIF-FOWTUZBSSA-N -1 0 353.353 3.103 50 0 FGAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(C(=O)Nc3ccccc3)cc2)c1 ZINC000006697404 493974734 /nfs/dbraw/zinc/97/47/34/493974734.db2.gz NDHIENWYFFKZNV-UHFFFAOYSA-N -1 0 367.430 3.443 50 0 FGAARM Cn1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccccc4Cl)c32)cn1 ZINC000061718819 493989283 /nfs/dbraw/zinc/98/92/83/493989283.db2.gz GAUPDFNSDGOYDT-LLVKDONJSA-N -1 0 370.796 3.037 50 0 FGAARM Cc1c2cc(Br)ccc2oc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117855 494003521 /nfs/dbraw/zinc/00/35/21/494003521.db2.gz BNOOVCIXVDFZPP-VIFPVBQESA-N -1 0 352.184 3.050 50 0 FGAARM CCc1nc2cc(NC(=O)c3ccc4c(c3)[n-]c(=S)[nH]c4=O)ccc2o1 ZINC000069809955 494015592 /nfs/dbraw/zinc/01/55/92/494015592.db2.gz FAAKVTJWJTVRIY-UHFFFAOYSA-N -1 0 366.402 3.168 50 0 FGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1cc(NC(=O)C2CCC2)ccc1Cl ZINC000071285994 494090910 /nfs/dbraw/zinc/09/09/10/494090910.db2.gz LORPAHSQTIQCAL-ZIAGYGMSSA-N -1 0 364.829 3.374 50 0 FGAARM CC(C)c1nc(Cc2ccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)cc2)no1 ZINC000071287920 494090986 /nfs/dbraw/zinc/09/09/86/494090986.db2.gz XWYVXKKKOJKECO-HUUCEWRRSA-N -1 0 357.410 3.079 50 0 FGAARM O=C([O-])c1cc(-c2ccc3[nH]ccc3c2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071747688 494096793 /nfs/dbraw/zinc/09/67/93/494096793.db2.gz ZCSKCUJYOXZGMT-UHFFFAOYSA-N -1 0 370.430 3.318 50 0 FGAARM CCOc1ccc(-c2ccnc(NCc3cccnc3)n2)cc1C(=O)[O-] ZINC000071759155 494099189 /nfs/dbraw/zinc/09/91/89/494099189.db2.gz DZOQSSUZRBKEEQ-UHFFFAOYSA-N -1 0 350.378 3.248 50 0 FGAARM CCCc1n[nH]cc1C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1 ZINC000072123942 494129809 /nfs/dbraw/zinc/12/98/09/494129809.db2.gz LCQHTIKYVWDBLK-UHFFFAOYSA-N -1 0 355.438 3.155 50 0 FGAARM C[C@@H](Nc1nccc(-c2cc(C(=O)[O-])ccn2)n1)c1cn2ccsc2n1 ZINC000072409605 494166538 /nfs/dbraw/zinc/16/65/38/494166538.db2.gz RHBCAWQQLJHLHK-SNVBAGLBSA-N -1 0 366.406 3.119 50 0 FGAARM CCc1noc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccccc2)n1 ZINC000065194585 494177797 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Cc1nc2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)cc2s1 ZINC000013349334 494286371 /nfs/dbraw/zinc/28/63/71/494286371.db2.gz XOOLAWABUWFMLE-UHFFFAOYSA-N -1 0 362.432 3.412 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)s1 ZINC000013696970 494293787 /nfs/dbraw/zinc/29/37/87/494293787.db2.gz PKLNLWPDUFZPKB-UHFFFAOYSA-N -1 0 362.476 3.156 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Cn2cncn2)c(Cl)c1 ZINC000055686633 494389739 /nfs/dbraw/zinc/38/97/39/494389739.db2.gz XIGZZGHQVDWPEN-UHFFFAOYSA-N -1 0 362.842 3.089 50 0 FGAARM COC(=O)c1[n-]c(=NC(=O)c2cc3ccccc3n2C)sc1C(C)C ZINC000079486087 494462904 /nfs/dbraw/zinc/46/29/04/494462904.db2.gz UYWRKDZFMSHBJZ-UHFFFAOYSA-N -1 0 357.435 3.219 50 0 FGAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccc(NC(=O)C2CC2)cc1 ZINC000020103062 494466497 /nfs/dbraw/zinc/46/64/97/494466497.db2.gz GQJBPRNNPRCQDP-UHFFFAOYSA-N -1 0 368.389 3.059 50 0 FGAARM CC(N[C@@H](C)c1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000020292505 494469258 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50 0 FGAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccccc1Br ZINC000071283513 494090625 /nfs/dbraw/zinc/09/06/25/494090625.db2.gz ZJVLWMXZFLFEPB-SSDOTTSWSA-N -1 0 353.197 3.078 50 0 FGAARM CC(=O)c1ccccc1-c1cc(C(=O)[O-])cc(S(=O)(=O)N2CCCC2)c1 ZINC000071479443 494093263 /nfs/dbraw/zinc/09/32/63/494093263.db2.gz HGVIQZLFQHPLSV-UHFFFAOYSA-N -1 0 373.430 3.039 50 0 FGAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc(C)nc2c(C)c(C)ccc12)C(=O)[O-] ZINC000071777305 494101243 /nfs/dbraw/zinc/10/12/43/494101243.db2.gz OGNDWDUHFMUKAV-GOSISDBHSA-N -1 0 366.421 3.056 50 0 FGAARM CC(=O)c1ccc(N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)cc1 ZINC000008745279 494102532 /nfs/dbraw/zinc/10/25/32/494102532.db2.gz HLLPNMHQHJWFJT-UHFFFAOYSA-N -1 0 358.825 3.211 50 0 FGAARM Cc1c(C(=O)[O-])sc2nc(C)nc(NC[C@H]3COc4ccccc4O3)c12 ZINC000008850696 494106555 /nfs/dbraw/zinc/10/65/55/494106555.db2.gz NLOCWXFLMLAOIE-NSHDSACASA-N -1 0 371.418 3.258 50 0 FGAARM COc1cc(Cl)c(C)cc1NC(=O)Cc1c(C(=O)[O-])c(C)cn1C ZINC000064980546 494163326 /nfs/dbraw/zinc/16/33/26/494163326.db2.gz WESBXXCHLWHURG-UHFFFAOYSA-N -1 0 350.802 3.183 50 0 FGAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1n[nH]c(C(F)(F)F)c1-c1ccccc1 ZINC000072401698 494163983 /nfs/dbraw/zinc/16/39/83/494163983.db2.gz NFXQVXWYQBOQRU-GHMZBOCLSA-N -1 0 367.327 3.391 50 0 FGAARM O=C([O-])C1(Oc2ccc3ccccc3c2)CCN(C(=O)CC2CC2)CC1 ZINC000072424497 494170626 /nfs/dbraw/zinc/17/06/26/494170626.db2.gz CIWLAAQZZRQEQX-UHFFFAOYSA-N -1 0 353.418 3.465 50 0 FGAARM CCc1nc2sc(C)nn2c1S(=O)(=O)[N-]c1ccc(CC)cc1 ZINC000065183922 494177926 /nfs/dbraw/zinc/17/79/26/494177926.db2.gz BATIBOZXIBICEO-UHFFFAOYSA-N -1 0 350.469 3.025 50 0 FGAARM O=C([O-])C1(n2ccnc2)CCN(c2nc(-c3ccccc3)cs2)CC1 ZINC000072478215 494181601 /nfs/dbraw/zinc/18/16/01/494181601.db2.gz BQONYAJTPPBABE-UHFFFAOYSA-N -1 0 354.435 3.087 50 0 FGAARM Cc1ccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)cc1 ZINC000065250024 494181951 /nfs/dbraw/zinc/18/19/51/494181951.db2.gz XRDRJZLIEJKKGE-UHFFFAOYSA-N -1 0 374.400 3.289 50 0 FGAARM COc1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C(C)C)o3)o2)c1 ZINC000065246283 494182430 /nfs/dbraw/zinc/18/24/30/494182430.db2.gz LCALYWAWWCDKRN-UHFFFAOYSA-N -1 0 363.395 3.262 50 0 FGAARM Cc1cc(C(=O)N2CCC(C(=O)[O-])(n3ccc(C(C)(C)C)n3)CC2)c(C)o1 ZINC000072480014 494182732 /nfs/dbraw/zinc/18/27/32/494182732.db2.gz DQJIIAYDOXVVLO-UHFFFAOYSA-N -1 0 373.453 3.107 50 0 FGAARM COc1cccc(-c2nnc(SCC(=O)[O-])n2-c2ccccc2C)c1 ZINC000065461614 494200327 /nfs/dbraw/zinc/20/03/27/494200327.db2.gz BEGVOCCBZLXBRF-UHFFFAOYSA-N -1 0 355.419 3.428 50 0 FGAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2-c2nc3ccccc3s2)c1 ZINC000065492959 494204492 /nfs/dbraw/zinc/20/44/92/494204492.db2.gz MAXWYJHCFBEISJ-UHFFFAOYSA-N -1 0 370.459 3.498 50 0 FGAARM Cc1nn(CC(=O)[O-])c2c1[C@@H](c1oc3ccc(C)cc3c1C)CC(=O)N2 ZINC000065507664 494205951 /nfs/dbraw/zinc/20/59/51/494205951.db2.gz ODYRISJGACRMRI-ZDUSSCGKSA-N -1 0 353.378 3.113 50 0 FGAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)C1(c2cccc(F)c2)CCC1 ZINC000065537074 494210883 /nfs/dbraw/zinc/21/08/83/494210883.db2.gz QYMREFYGFFHSPW-UHFFFAOYSA-N -1 0 353.353 3.229 50 0 FGAARM CC(=O)N1CCc2cc(NC(=O)CSc3ccccc3C(=O)[O-])ccc21 ZINC000012978330 494272534 /nfs/dbraw/zinc/27/25/34/494272534.db2.gz MCDYBLYQQZHNLK-UHFFFAOYSA-N -1 0 370.430 3.025 50 0 FGAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1OC ZINC000013040246 494277512 /nfs/dbraw/zinc/27/75/12/494277512.db2.gz JGQDRKOFMPDSLG-CYBMUJFWSA-N -1 0 362.451 3.024 50 0 FGAARM COc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000013170575 494280380 /nfs/dbraw/zinc/28/03/80/494280380.db2.gz ZJUUMKRCTZKCNH-KRWDZBQOSA-N -1 0 369.417 3.211 50 0 FGAARM O=C([O-])c1ccccc1NC(=O)c1ccccc1I ZINC000013166099 494280385 /nfs/dbraw/zinc/28/03/85/494280385.db2.gz HZSQWTHOHIYCNQ-UHFFFAOYSA-N -1 0 367.142 3.242 50 0 FGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2cc3ccccc3o2)cc1OC ZINC000013183363 494281047 /nfs/dbraw/zinc/28/10/47/494281047.db2.gz XBYYONYNPBRSRL-AWEZNQCLSA-N -1 0 369.373 3.396 50 0 FGAARM COc1ccc(CCC(=O)N[C@H](CC(=O)[O-])c2cccs2)cc1OC ZINC000013388170 494286043 /nfs/dbraw/zinc/28/60/43/494286043.db2.gz ONPSDOYEZAEWRU-CYBMUJFWSA-N -1 0 363.435 3.030 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2ccccc2Br)cc1C(=O)[O-] ZINC000013348674 494286214 /nfs/dbraw/zinc/28/62/14/494286214.db2.gz SDHSFYDLWJRZIY-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000043589754 494306950 /nfs/dbraw/zinc/30/69/50/494306950.db2.gz QZZZXIXFMXJWTE-JTQLQIEISA-N -1 0 358.207 3.305 50 0 FGAARM CCn1cc2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)cc2n1 ZINC000078720363 494348428 /nfs/dbraw/zinc/34/84/28/494348428.db2.gz RVPOVKXMQPIPBL-UHFFFAOYSA-N -1 0 373.434 3.172 50 0 FGAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cc2nnc3ccccn32)cc1 ZINC000078806243 494364798 /nfs/dbraw/zinc/36/47/98/494364798.db2.gz AWFDWTOHHTWMBA-UHFFFAOYSA-N -1 0 366.421 3.150 50 0 FGAARM CC(=O)c1cccc(NC(=O)Cc2c(C)[n-]n(-c3nc(C)cs3)c2=O)c1 ZINC000015858719 494371142 /nfs/dbraw/zinc/37/11/42/494371142.db2.gz CGAVLDJWYJVYSO-UHFFFAOYSA-N -1 0 370.434 3.035 50 0 FGAARM COc1cc(-c2noc(CCC(=O)[O-])n2)ccc1OCc1ccccc1 ZINC000016214880 494381528 /nfs/dbraw/zinc/38/15/28/494381528.db2.gz CUDLQBOBNDDAFK-UHFFFAOYSA-N -1 0 354.362 3.341 50 0 FGAARM CC(NNc1ccccc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000017027221 494405835 /nfs/dbraw/zinc/40/58/35/494405835.db2.gz SVFZFNGRNIHIPJ-RVDMUPIBSA-N -1 0 370.796 3.018 50 0 FGAARM CCC(=O)Nc1ccc(Br)cc1-c1nnc(SC)[n-]c1=O ZINC000018166981 494426834 /nfs/dbraw/zinc/42/68/34/494426834.db2.gz JGSQTBFBMSEGAJ-UHFFFAOYSA-N -1 0 369.244 3.077 50 0 FGAARM CC(C)n1ncc2c1[nH]c1nc(=O)sc-1c2-c1ccc(C(=O)[O-])cc1 ZINC000079490235 494463980 /nfs/dbraw/zinc/46/39/80/494463980.db2.gz CZJLLSFUVQLRCR-UHFFFAOYSA-N -1 0 354.391 3.280 50 0 FGAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2Br)c1 ZINC000020430677 494473618 /nfs/dbraw/zinc/47/36/18/494473618.db2.gz DHEHDQJGXOZJCL-UHFFFAOYSA-N -1 0 374.187 3.087 50 0 FGAARM CC(C)[C@H](NC(=O)CCn1ccc2cc(Br)ccc21)C(=O)[O-] ZINC000020763437 494480307 /nfs/dbraw/zinc/48/03/07/494480307.db2.gz COKZGWIYHADIPE-HNNXBMFYSA-N -1 0 367.243 3.019 50 0 FGAARM CC(C)[C@H](NC(=O)Cc1csc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000020723042 494480763 /nfs/dbraw/zinc/48/07/63/494480763.db2.gz OJWXEEUALSFYOJ-AWEZNQCLSA-N -1 0 352.843 3.231 50 0 FGAARM Cc1nc(-n2[n-]c(C)c(CCC(=O)NCc3ccccc3)c2=O)sc1C ZINC000021803660 494506804 /nfs/dbraw/zinc/50/68/04/494506804.db2.gz GLJSJPJQOKGTSJ-UHFFFAOYSA-N -1 0 370.478 3.209 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000021880998 494508896 /nfs/dbraw/zinc/50/88/96/494508896.db2.gz QEYQQHJWAHCBSE-UHFFFAOYSA-N -1 0 360.435 3.161 50 0 FGAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(C)cc1Cl ZINC000022513968 494525972 /nfs/dbraw/zinc/52/59/72/494525972.db2.gz AXQMRKAIZATBKR-UHFFFAOYSA-N -1 0 368.842 3.416 50 0 FGAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000023371857 494563812 /nfs/dbraw/zinc/56/38/12/494563812.db2.gz BLCQTJCQCXXCRS-UHFFFAOYSA-N -1 0 362.432 3.192 50 0 FGAARM Cc1cccc(C)c1NC(=O)CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000023731059 494577302 /nfs/dbraw/zinc/57/73/02/494577302.db2.gz KFXDHCCRSMEKLQ-UHFFFAOYSA-N -1 0 356.451 3.084 50 0 FGAARM CC(C)=CC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C(F)(F)F)n[nH]2)C1 ZINC000091425911 494596407 /nfs/dbraw/zinc/59/64/07/494596407.db2.gz AMMVHLFLVGNZHE-OAHLLOKOSA-N -1 0 359.348 3.092 50 0 FGAARM Cc1nc(-c2cccc([N-]S(=O)(=O)c3ncn(C)c3Cl)c2)cs1 ZINC000026534771 494830447 /nfs/dbraw/zinc/83/04/47/494830447.db2.gz SBKITZSRMMMTGR-UHFFFAOYSA-N -1 0 368.871 3.306 50 0 FGAARM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(CCC(C)C)cc1 ZINC000026539268 494830863 /nfs/dbraw/zinc/83/08/63/494830863.db2.gz OMVZNIQMMHXZHE-UHFFFAOYSA-N -1 0 360.479 3.483 50 0 FGAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3)C2)cc1 ZINC000170620027 495536860 /nfs/dbraw/zinc/53/68/60/495536860.db2.gz IIONNPYFZZFKMA-IBGZPJMESA-N -1 0 365.433 3.295 50 0 FGAARM COc1cc(OC)cc(N2CC[C@@H](Nc3nc4ccccc4o3)C2=O)c1 ZINC000170651619 495546146 /nfs/dbraw/zinc/54/61/46/495546146.db2.gz XKVLLSKYVWMEMA-MRXNPFEDSA-N -1 0 353.378 3.062 50 0 FGAARM COc1cc(OC)cc(N2CC[C@H](Nc3nc4ccccc4o3)C2=O)c1 ZINC000170651618 495547024 /nfs/dbraw/zinc/54/70/24/495547024.db2.gz XKVLLSKYVWMEMA-INIZCTEOSA-N -1 0 353.378 3.062 50 0 FGAARM O=C([O-])[C@@H]1CCCCN1C(=O)/C=C/c1ccc(Oc2cccnc2)c(F)c1 ZINC000159907615 495837095 /nfs/dbraw/zinc/83/70/95/495837095.db2.gz COCSXEUNNXDBOV-LKUPDRCFSA-N -1 0 370.380 3.492 50 0 FGAARM COc1ccc(NC(=O)CCC(=O)C(C)=C([O-])c2ccc(O)cc2)cc1 ZINC000198726636 496969221 /nfs/dbraw/zinc/96/92/21/496969221.db2.gz NBZWLOBPLPRXKA-ZDUSSCGKSA-N -1 0 355.390 3.208 50 0 FGAARM Cc1cc2c(c(=O)o1)[C@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000218015063 497000473 /nfs/dbraw/zinc/00/04/73/497000473.db2.gz DBLXNHUKSSSLPU-ZDUSSCGKSA-N -1 0 366.325 3.347 50 0 FGAARM O=C([O-])[C@@H](NC(=O)Nc1cccc(-c2cccs2)c1)[C@@H]1CCCOC1 ZINC000225487522 497065349 /nfs/dbraw/zinc/06/53/49/497065349.db2.gz WKLIDSHMWRQWAR-CJNGLKHVSA-N -1 0 360.435 3.416 50 0 FGAARM Cc1ccccc1OCC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237542767 497253899 /nfs/dbraw/zinc/25/38/99/497253899.db2.gz JIDKPVDGLJZOKT-UHFFFAOYSA-N -1 0 363.360 3.156 50 0 FGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3ccc(OC(F)(F)F)cc3[nH]2)C1 ZINC000237656483 497271181 /nfs/dbraw/zinc/27/11/81/497271181.db2.gz OIPWQMRXKRMDLJ-HNNXBMFYSA-N -1 0 356.300 3.003 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3Cl)n[nH]2)C1 ZINC000237968488 497321410 /nfs/dbraw/zinc/32/14/10/497321410.db2.gz GHDQRDMBTFBLND-LBPRGKRZSA-N -1 0 361.829 3.447 50 0 FGAARM O=C([O-])[C@@H](CNC(=O)[C@H]1CC12CCOCC2)Cc1ccc2ccccc2c1 ZINC000238179500 497345799 /nfs/dbraw/zinc/34/57/99/497345799.db2.gz BCIKXFMLLRBRBP-RTBURBONSA-N -1 0 367.445 3.016 50 0 FGAARM COc1ccc(C)cc1NC(=O)[C@H]1CCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263571905 497801493 /nfs/dbraw/zinc/80/14/93/497801493.db2.gz KBWQXDAUJRILPC-GOSISDBHSA-N -1 0 368.433 3.305 50 0 FGAARM Cc1c([N-]S(=O)(=O)c2cnn(CC(F)F)c2)onc1C1CCCCC1 ZINC000290985820 498746614 /nfs/dbraw/zinc/74/66/14/498746614.db2.gz SJSXZETYXVONBS-UHFFFAOYSA-N -1 0 374.413 3.293 50 0 FGAARM O=C(CCCOc1ccc(Cl)cc1)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1 ZINC000328591930 498870383 /nfs/dbraw/zinc/87/03/83/498870383.db2.gz DBUOAFXCTTUZPM-CQSZACIVSA-N -1 0 364.833 3.077 50 0 FGAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)c1C ZINC000085597929 521367614 /nfs/dbraw/zinc/36/76/14/521367614.db2.gz ZPXZRPYUQKJJMP-UHFFFAOYSA-N -1 0 374.821 3.402 50 0 FGAARM CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000020574846 521383960 /nfs/dbraw/zinc/38/39/60/521383960.db2.gz BVYAFFKIWNBDOS-UHFFFAOYSA-N -1 0 350.440 3.226 50 0 FGAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000237323561 524064832 /nfs/dbraw/zinc/06/48/32/524064832.db2.gz BWWOJVVCZBVCSN-OCCSQVGLSA-N -1 0 361.344 3.092 50 0 FGAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237324832 524064926 /nfs/dbraw/zinc/06/49/26/524064926.db2.gz DBCIFMLJZKGSNE-STQMWFEESA-N -1 0 361.344 3.092 50 0 FGAARM Cc1noc(CC2CCN(c3cc(C)nc(-c4ccccc4[O-])n3)CC2)n1 ZINC000091664528 526592370 /nfs/dbraw/zinc/59/23/70/526592370.db2.gz LLZNMTFGFHHFFM-UHFFFAOYSA-N -1 0 365.437 3.308 50 0 FGAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262347161 526683369 /nfs/dbraw/zinc/68/33/69/526683369.db2.gz FBOMUMWQBXRJDU-RTXFEEFZSA-N -1 0 356.344 3.267 50 0 FGAARM O=C([O-])C1CCN(C(=O)Cc2csc(-c3cccc(Cl)c3)n2)CC1 ZINC000020744756 527562551 /nfs/dbraw/zinc/56/25/51/527562551.db2.gz LBKZNTNQSMHKLI-UHFFFAOYSA-N -1 0 364.854 3.329 50 0 FGAARM O=C([O-])C1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)(F)F)CC1 ZINC000268949969 527563380 /nfs/dbraw/zinc/56/33/80/527563380.db2.gz ZWDRRMUDPDMSSV-OQSWDALSSA-N -1 0 371.355 3.448 50 0 FGAARM O=C([O-])C[C@@H](NC(=O)C[C@H]1OCCc2ccccc21)c1ccc(F)cc1 ZINC000238129841 527624489 /nfs/dbraw/zinc/62/44/89/527624489.db2.gz RFUCAGIORNXEBX-QZTJIDSGSA-N -1 0 357.381 3.162 50 0 FGAARM COc1cc(S(=O)(=O)[N-]c2cccc3cccnc32)c(OC)cc1C ZINC000214077455 567991353 /nfs/dbraw/zinc/99/13/53/567991353.db2.gz GONXRQSUKMFOIM-UHFFFAOYSA-N -1 0 358.419 3.361 50 0 FGAARM CCOc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)nn2C)c2ccccc12 ZINC000110094582 570577097 /nfs/dbraw/zinc/57/70/97/570577097.db2.gz PMUGZQMLOSJHOH-UHFFFAOYSA-N -1 0 374.466 3.291 50 0 FGAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccc2)C(=Nc2ccccc2)S1 ZINC000083329966 571049014 /nfs/dbraw/zinc/04/90/14/571049014.db2.gz YBPTXUXIDZGPEX-MRXNPFEDSA-N -1 0 354.431 3.336 50 0 FGAARM O=C([O-])C[C@H]1CN(S(=O)(=O)c2ccc3c(c2)CCCC3)c2ccccc21 ZINC000169990578 571260465 /nfs/dbraw/zinc/26/04/65/571260465.db2.gz ZFJNDBWHAKRQHJ-INIZCTEOSA-N -1 0 371.458 3.333 50 0 FGAARM Cn1c(Cl)nc(Cl)c1/C=C/C(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000170621026 599891146 /nfs/dbraw/zinc/89/11/46/599891146.db2.gz ZZSNGFYKCILTCP-VOTSOKGWSA-N -1 0 355.177 3.086 50 0 FGAARM C[C@@H](C1CC1)n1cc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)cn1 ZINC000195505086 713558317 /nfs/dbraw/zinc/55/83/17/713558317.db2.gz BSQKZZGEDBSYOI-LBPRGKRZSA-N -1 0 361.467 3.368 50 0 FGAARM COc1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3ccccc3F)C2)cc1 ZINC000000710123 219315305 /nfs/dbraw/zinc/31/53/05/219315305.db2.gz IBNPFQUZBLYNAN-SFHVURJKSA-N -1 0 370.380 3.377 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000000794638 209376067 /nfs/dbraw/zinc/37/60/67/209376067.db2.gz VDZNFNDMTIDYPK-IRXDYDNUSA-N -1 0 358.438 3.142 50 0 FGAARM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136490323 209374811 /nfs/dbraw/zinc/37/48/11/209374811.db2.gz UCUDNNOWJQZWOI-CQSZACIVSA-N -1 0 362.426 3.261 50 0 FGAARM O=C([O-])C1CCN(C(=O)C2(c3cccc(C(F)(F)F)c3)CCC2)CC1 ZINC000238020876 209358363 /nfs/dbraw/zinc/35/83/63/209358363.db2.gz PNJQTWIRUJUVNI-UHFFFAOYSA-N -1 0 355.356 3.450 50 0 FGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000237929718 209356847 /nfs/dbraw/zinc/35/68/47/209356847.db2.gz MGPAPQAXUKLFIP-INIZCTEOSA-N -1 0 360.385 3.269 50 0 FGAARM Cc1nc(COc2cccc(/C=C/C(=O)N3CCC[C@@H]3C(=O)[O-])c2)cs1 ZINC000237758523 209354140 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FGAARM O=c1c2[n-][nH]n(Cc3cccc(C(F)(F)F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101417251 209225545 /nfs/dbraw/zinc/22/55/45/209225545.db2.gz AOQZRHGGDXHOPS-GJZGRUSLSA-N -1 0 374.322 3.199 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(F)c4)c=3c2=O)cc1Cl ZINC000101277719 209223130 /nfs/dbraw/zinc/22/31/30/209223130.db2.gz QHYRLTUKGOFTKC-LSDHHAIUSA-N -1 0 358.760 3.285 50 0 FGAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)cc1 ZINC000101167148 209222371 /nfs/dbraw/zinc/22/23/71/209222371.db2.gz VIFYQKBYEWGQLN-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000101168211 209221603 /nfs/dbraw/zinc/22/16/03/209221603.db2.gz MQGRSFUEDJQDNX-IRXDYDNUSA-N -1 0 368.824 3.450 50 0 FGAARM O=C(Nc1nc2ccccc2s1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621336 209214299 /nfs/dbraw/zinc/21/42/99/209214299.db2.gz JPWKMZIPYZARMC-UHFFFAOYSA-N -1 0 363.398 3.125 50 0 FGAARM COc1ccc2[nH]c(SCc3ncc(C(=O)[O-])c(OC)c3C)nc2c1 ZINC000098043353 209202389 /nfs/dbraw/zinc/20/23/89/209202389.db2.gz BNOSHBGSJBEMGC-UHFFFAOYSA-N -1 0 359.407 3.274 50 0 FGAARM CC(C)(C)c1nc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cs1 ZINC000236718812 209197100 /nfs/dbraw/zinc/19/71/00/209197100.db2.gz OSIAZPQFFWVDOQ-HNNXBMFYSA-N -1 0 358.463 3.021 50 0 FGAARM CC(C)(C)Cc1nc(-c2cccc(C(=O)N3CCC[C@H]3C(=O)[O-])c2)no1 ZINC000236634211 209191020 /nfs/dbraw/zinc/19/10/20/209191020.db2.gz BLBQWYLYPIQQKC-AWEZNQCLSA-N -1 0 357.410 3.014 50 0 FGAARM COc1cc(OC)c(CN2CCCC[C@H]2c2cc(C)on2)c(C(=O)[O-])c1 ZINC000097642258 209189941 /nfs/dbraw/zinc/18/99/41/209189941.db2.gz MMBZEKRMJAZBSP-KRWDZBQOSA-N -1 0 360.410 3.426 50 0 FGAARM CC(C)Oc1ccc(S(=O)(=O)[N-]c2cc([C@@H]3CCCO3)no2)cc1 ZINC000097143778 209173141 /nfs/dbraw/zinc/17/31/41/209173141.db2.gz HSXOWTYFSMAIMB-HNNXBMFYSA-N -1 0 352.412 3.114 50 0 FGAARM CC[C@@H](C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC000001210701 206798222 /nfs/dbraw/zinc/79/82/22/206798222.db2.gz JSYWEFSXSAYLEY-DYVFJYSZSA-N -1 0 354.406 3.168 50 0 FGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(OC)cc2)cc1 ZINC000003626467 206987277 /nfs/dbraw/zinc/98/72/77/206987277.db2.gz PTRWXMZKXLUBIL-SFHVURJKSA-N -1 0 357.406 3.430 50 0 FGAARM O=C([O-])c1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O ZINC000004158696 207002805 /nfs/dbraw/zinc/00/28/05/207002805.db2.gz ZTOJFERGVMTHJW-AWEZNQCLSA-N -1 0 361.806 3.462 50 0 FGAARM Cc1nnc(SCc2cc(=O)n(-c3nc4ccccc4s3)[n-]2)s1 ZINC000004223183 207008442 /nfs/dbraw/zinc/00/84/42/207008442.db2.gz SPCLLBOEPHKRMF-UHFFFAOYSA-N -1 0 361.477 3.341 50 0 FGAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 ZINC000004653692 207035237 /nfs/dbraw/zinc/03/52/37/207035237.db2.gz NQTYBPJIQZEBGQ-AWEZNQCLSA-N -1 0 374.245 3.488 50 0 FGAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(F)cc1 ZINC000004809528 207050131 /nfs/dbraw/zinc/05/01/31/207050131.db2.gz CHUJDEDLSTUSIT-UHFFFAOYSA-N -1 0 371.393 3.274 50 0 FGAARM O=C([O-])CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 ZINC000004974006 207068003 /nfs/dbraw/zinc/06/80/03/207068003.db2.gz IKXRNQYDJBANCF-UHFFFAOYSA-N -1 0 360.218 3.273 50 0 FGAARM CCOc1cccc(-c2nnc(SCc3ccc(C(=O)[O-])cc3)n2N)c1 ZINC000005025192 207072484 /nfs/dbraw/zinc/07/24/84/207072484.db2.gz SYDPXJORQFOPQW-UHFFFAOYSA-N -1 0 370.434 3.048 50 0 FGAARM CN1C(=O)S/C(=C/c2ccc(OCc3ccc(C(=O)[O-])o3)cc2)C1=O ZINC000005000820 207070893 /nfs/dbraw/zinc/07/08/93/207070893.db2.gz BHFXOPXJAKFTKO-RIYZIHGNSA-N -1 0 359.359 3.223 50 0 FGAARM O=C(NCc1n[n-]c(=S)n1-c1cccc(C(F)(F)F)c1)c1ccco1 ZINC000005128749 207083399 /nfs/dbraw/zinc/08/33/99/207083399.db2.gz VAVMEHKWNLDWIC-UHFFFAOYSA-N -1 0 368.340 3.472 50 0 FGAARM Cc1cccc(C(=O)N[C@]2(C(F)(F)F)[N-]c3nc4ccccc4n3C2=O)c1 ZINC000005209417 207087756 /nfs/dbraw/zinc/08/77/56/207087756.db2.gz KXSXZZCTFXCPRZ-KRWDZBQOSA-N -1 0 374.322 3.099 50 0 FGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000006770587 207162155 /nfs/dbraw/zinc/16/21/55/207162155.db2.gz GXSYUCAVIJTOAW-SJORKVTESA-N -1 0 368.824 3.396 50 0 FGAARM COc1cc([N-]S(=O)(=O)c2ccc(F)cc2F)c(OC)cc1Cl ZINC000007387436 207194025 /nfs/dbraw/zinc/19/40/25/207194025.db2.gz RHRPOSCAOSDEDG-UHFFFAOYSA-N -1 0 363.769 3.436 50 0 FGAARM O=C(NC1CCCC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000008195457 207224094 /nfs/dbraw/zinc/22/40/94/207224094.db2.gz IZBBUDGGIDVPKM-UHFFFAOYSA-N -1 0 350.465 3.221 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)Cc2c(F)cccc2Cl)c1 ZINC000008881375 207251294 /nfs/dbraw/zinc/25/12/94/207251294.db2.gz ZCSQYFVKYRUXRZ-UHFFFAOYSA-N -1 0 371.817 3.160 50 0 FGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Br ZINC000009468081 207272643 /nfs/dbraw/zinc/27/26/43/207272643.db2.gz NAWVULYGSJRMKV-UHFFFAOYSA-N -1 0 370.224 3.037 50 0 FGAARM CC(C)[C@@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000036576078 207285223 /nfs/dbraw/zinc/28/52/23/207285223.db2.gz WGTWXKPEJXIUBI-CQSZACIVSA-N -1 0 352.843 3.231 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2ccc3nc(C)sc3c2)c(OC)c1 ZINC000011615702 207314675 /nfs/dbraw/zinc/31/46/75/207314675.db2.gz OIMUTXRNIJIQHV-UHFFFAOYSA-N -1 0 364.448 3.423 50 0 FGAARM CCCCc1cc(=O)oc2c(C)c([O-])c(-c3ccnc(NC#N)n3)cc12 ZINC000011866512 207327663 /nfs/dbraw/zinc/32/76/63/207327663.db2.gz LXXXPVZPJBIGMV-UHFFFAOYSA-N -1 0 350.378 3.500 50 0 FGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(OCc3ccccc3)cc21)N1CCOCC1 ZINC000012390529 207369819 /nfs/dbraw/zinc/36/98/19/207369819.db2.gz RZPCPRFIPKITQY-HXUWFJFHSA-N -1 0 366.417 3.205 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000012496636 207382545 /nfs/dbraw/zinc/38/25/45/207382545.db2.gz XEYBRNLFEZDVAW-CLQOMRTCSA-N -1 0 352.471 3.251 50 0 endogenous,in-man FGAARM COc1cc2c(cc1NC(=O)c1nccnc1C(=O)[O-])oc1ccccc12 ZINC000032103578 208026441 /nfs/dbraw/zinc/02/64/41/208026441.db2.gz MLYRNVIZMNYCSO-UHFFFAOYSA-N -1 0 363.329 3.335 50 0 FGAARM CCCNC(=O)C1(c2ccc([N-]S(=O)(=O)c3cccs3)cc2)CC1 ZINC000033115566 208072681 /nfs/dbraw/zinc/07/26/81/208072681.db2.gz UMHWWPZXWQNMQS-UHFFFAOYSA-N -1 0 364.492 3.107 50 0 FGAARM Cc1ccc([C@@H]2CC(c3c([O-])[nH]c(=O)sc3=O)=Nc3ccccc3N2)o1 ZINC000035622691 208132170 /nfs/dbraw/zinc/13/21/70/208132170.db2.gz DXINWUAZPOEARX-LBPRGKRZSA-N -1 0 369.402 3.081 50 0 FGAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2cccc(OCC(C)C)c2)[n-]c1=O ZINC000034765535 208109659 /nfs/dbraw/zinc/10/96/59/208109659.db2.gz ZRTZJEHEMWYKDA-CQSZACIVSA-N -1 0 372.469 3.126 50 0 FGAARM COc1ccc([C@H]2N[C@@H](C(=O)[O-])CS2)cc1COc1ccccc1C ZINC000036623625 208167767 /nfs/dbraw/zinc/16/77/67/208167767.db2.gz YMJMSLJRNLVMKU-QAPCUYQASA-N -1 0 359.447 3.371 50 0 FGAARM COc1ccc([C@H]2N[C@H](C(=O)[O-])CS2)cc1COc1ccccc1C ZINC000036623623 208167999 /nfs/dbraw/zinc/16/79/99/208167999.db2.gz YMJMSLJRNLVMKU-YJBOKZPZSA-N -1 0 359.447 3.371 50 0 FGAARM O=S(=O)(CCOc1ccc(F)cc1)[N-]c1nc2ccccc2s1 ZINC000070637807 208175399 /nfs/dbraw/zinc/17/53/99/208175399.db2.gz ANIZHSHLMTYJBO-UHFFFAOYSA-N -1 0 352.412 3.256 50 0 FGAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cc(C)ccc2C)c1C ZINC000075348021 208194052 /nfs/dbraw/zinc/19/40/52/208194052.db2.gz VXEMANIVBFDLAI-UHFFFAOYSA-N -1 0 350.440 3.226 50 0 FGAARM CN(CC1CC1)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000040151992 208236618 /nfs/dbraw/zinc/23/66/18/208236618.db2.gz CPXVOLYBLPJVRV-UHFFFAOYSA-N -1 0 350.465 3.031 50 0 FGAARM CSCC[C@@H](NC(=O)c1sc(-c2ccc(F)cc2)nc1C)C(=O)[O-] ZINC000040285774 208245206 /nfs/dbraw/zinc/24/52/06/208245206.db2.gz UEUUSJBLLXMGFR-GFCCVEGCSA-N -1 0 368.455 3.194 50 0 FGAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cnc(-c2ccco2)s1 ZINC000299742291 208338081 /nfs/dbraw/zinc/33/80/81/208338081.db2.gz AYZOOZNPZMUPQK-ZDUSSCGKSA-N -1 0 354.387 3.055 50 0 FGAARM O=C(NCCCOc1ccccc1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047933956 208384634 /nfs/dbraw/zinc/38/46/34/208384634.db2.gz HKYPMEZHONUHJQ-UHFFFAOYSA-N -1 0 355.419 3.197 50 0 FGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3cc(Cl)ccc3F)c1)CCC2 ZINC000058357562 208581537 /nfs/dbraw/zinc/58/15/37/208581537.db2.gz RWSDSKSEZIUXAS-UHFFFAOYSA-N -1 0 369.801 3.467 50 0 FGAARM Cn1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cn1 ZINC000061718654 208598756 /nfs/dbraw/zinc/59/87/56/208598756.db2.gz QSKVCDGOLQVDQM-GFCCVEGCSA-N -1 0 371.393 3.460 50 0 FGAARM C[C@H](Sc1nnc(-c2ccc3c(c2)OCCCO3)n1C1CC1)C(=O)[O-] ZINC000064987299 208629805 /nfs/dbraw/zinc/62/98/05/208629805.db2.gz DDMAZLKQVHTSBP-JTQLQIEISA-N -1 0 361.423 3.007 50 0 FGAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2)o1 ZINC000065194116 208643136 /nfs/dbraw/zinc/64/31/36/208643136.db2.gz ICJSHYYVAHBYDU-UHFFFAOYSA-N -1 0 360.439 3.110 50 0 FGAARM O=C(Nc1cccc(Br)c1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215260 208644926 /nfs/dbraw/zinc/64/49/26/208644926.db2.gz HHFXYFFEXHJNPS-UHFFFAOYSA-N -1 0 365.208 3.310 50 0 FGAARM COc1cc(OC)cc(OCc2nc(-c3ccc(C(=O)[O-])cc3)no2)c1 ZINC000067473003 208706522 /nfs/dbraw/zinc/70/65/22/208706522.db2.gz RAXNGSHQJKYNRJ-UHFFFAOYSA-N -1 0 356.334 3.031 50 0 FGAARM Cc1ccccc1[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC000091547296 208981319 /nfs/dbraw/zinc/98/13/19/208981319.db2.gz KJLGQAVJGAYPFG-ZWKOTPCHSA-N -1 0 354.450 3.492 50 0 FGAARM Cc1ccccc1[C@@H]1CN(C(=O)c2cc3ccccc3cn2)C[C@H]1C(=O)[O-] ZINC000091586120 208983749 /nfs/dbraw/zinc/98/37/49/208983749.db2.gz QTCSNTDQEXJURY-RBUKOAKNSA-N -1 0 360.413 3.484 50 0 FGAARM Cc1n[n-]/c(=N\C(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)n1C ZINC000096010873 209096584 /nfs/dbraw/zinc/09/65/84/209096584.db2.gz BRTDGUGTLQIUJW-UHFFFAOYSA-N -1 0 359.389 3.120 50 0 FGAARM O=C([O-])C[C@H](NC(=O)Cc1csc(-c2cccnc2)n1)c1cccs1 ZINC000095349586 209022865 /nfs/dbraw/zinc/02/28/65/209022865.db2.gz RQECZPUMWAWMRK-ZDUSSCGKSA-N -1 0 373.459 3.141 50 0 FGAARM COc1ccccc1[C@H](C(=O)[O-])N(C)Cc1cc(-c2ccncc2)no1 ZINC000095378304 209038821 /nfs/dbraw/zinc/03/88/21/209038821.db2.gz MSTOJDFVDGSUNA-GOSISDBHSA-N -1 0 353.378 3.003 50 0 FGAARM Cc1nc(COc2ccc(C(=O)N(CCC(=O)[O-])C3CC3)cc2)cs1 ZINC000095424462 209049836 /nfs/dbraw/zinc/04/98/36/209049836.db2.gz KSDZJWIJNVVIEK-UHFFFAOYSA-N -1 0 360.435 3.110 50 0 FGAARM COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cc(C(=O)[O-])cc(OC)c2OC)c1 ZINC000095424827 209049856 /nfs/dbraw/zinc/04/98/56/209049856.db2.gz CYULTUTZBHZPFO-LSDHHAIUSA-N -1 0 371.389 3.153 50 0 FGAARM CCN(CC(=O)NCc1cc(C(=O)[O-])c(C)o1)Cc1ccc(Cl)cc1 ZINC000095463917 209055996 /nfs/dbraw/zinc/05/59/96/209055996.db2.gz LFAKPIMADOVSFE-UHFFFAOYSA-N -1 0 364.829 3.078 50 0 FGAARM COc1ccccc1CN(CC(=O)[O-])C(=O)c1ccc2cccc(F)c2n1 ZINC000095498761 209062205 /nfs/dbraw/zinc/06/22/05/209062205.db2.gz QAJCJMZBOHUYOE-UHFFFAOYSA-N -1 0 368.364 3.110 50 0 FGAARM O=C([O-])c1cnc(N2CCC[C@H](c3nccn3CC3CC3)C2)c(Cl)c1 ZINC000082096571 132194146 /nfs/dbraw/zinc/19/41/46/132194146.db2.gz UJWGCRZQQMJAJF-ZDUSSCGKSA-N -1 0 360.845 3.424 50 0 FGAARM O=C([O-])c1ccc(N2CCC[C@H](c3nccn3Cc3ccccc3)C2)nc1 ZINC000082109151 132195840 /nfs/dbraw/zinc/19/58/40/132195840.db2.gz KWHOFNSWBWSVAJ-SFHVURJKSA-N -1 0 362.433 3.409 50 0 FGAARM Cc1c(C(=O)[O-])sc2ncnc(N3CCN(c4ccccc4)CC3)c12 ZINC000004116120 132386429 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COc1ccc(S(=O)(=O)[N-]c2nc3ccc(F)cc3s2)c(OC)c1 ZINC000028248313 493781622 /nfs/dbraw/zinc/78/16/22/493781622.db2.gz XGWNMAKNRPZQGX-UHFFFAOYSA-N -1 0 368.411 3.253 50 0 FGAARM O=C([O-])CCC(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc32)nc1 ZINC000001033971 493782203 /nfs/dbraw/zinc/78/22/03/493782203.db2.gz UAJFSBATGNLXSY-UHFFFAOYSA-N -1 0 372.768 3.274 50 0 FGAARM O=C1c2ccccc2C(=O)N1CCC[P@](=O)([O-])CCc1ccccc1 ZINC000002315682 493805273 /nfs/dbraw/zinc/80/52/73/493805273.db2.gz HGMPTHUWXOLCFF-UHFFFAOYSA-N -1 0 357.346 3.186 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccccc3s2)cc1OC ZINC000002457217 493808803 /nfs/dbraw/zinc/80/88/03/493808803.db2.gz DYYVTKCNHWMKPU-UHFFFAOYSA-N -1 0 350.421 3.114 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2ccccc2N2CCCCC2)cc1C(=O)[O-] ZINC000028940241 493809796 /nfs/dbraw/zinc/80/97/96/493809796.db2.gz CDAQRUKSKKJTOZ-UHFFFAOYSA-N -1 0 374.462 3.484 50 0 FGAARM O=C([O-])[C@H]1CSCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002560023 493811208 /nfs/dbraw/zinc/81/12/08/493811208.db2.gz HUWNZLPLVVGCMO-QGZVFWFLSA-N -1 0 355.415 3.395 50 0 FGAARM Cn1ccnc1[C@@H](NC(=O)c1ccc([O-])c(Cl)c1)c1cccc(F)c1 ZINC000029080156 493814760 /nfs/dbraw/zinc/81/47/60/493814760.db2.gz UYCHRXCSECCZQG-INIZCTEOSA-N -1 0 359.788 3.438 50 0 FGAARM CCc1c(C)sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)OC ZINC000002748176 493817210 /nfs/dbraw/zinc/81/72/10/493817210.db2.gz WHSQHUYIOSUDIN-NEPJUHHUSA-N -1 0 351.424 3.011 50 0 FGAARM O=C([O-])c1ccc(CNC(=O)c2cccc(NC(=O)c3ccco3)c2)cc1 ZINC000002880938 493824578 /nfs/dbraw/zinc/82/45/78/493824578.db2.gz XCPJJUBTQPVKQB-UHFFFAOYSA-N -1 0 364.357 3.160 50 0 FGAARM COc1cccc2cc(C(=O)Nc3cccc(C(=O)[O-])c3C)c(=O)oc21 ZINC000002951542 493825978 /nfs/dbraw/zinc/82/59/78/493825978.db2.gz ZFIJFXPVLCZASV-UHFFFAOYSA-N -1 0 353.330 3.061 50 0 FGAARM COc1ccc(-c2csc([N-]S(=O)(=O)c3ccc(C)cc3)n2)cc1 ZINC000003285122 493835754 /nfs/dbraw/zinc/83/57/54/493835754.db2.gz HOSHSOKROXGRMT-UHFFFAOYSA-N -1 0 360.460 3.350 50 0 FGAARM COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)c(C)c1 ZINC000058377271 493847962 /nfs/dbraw/zinc/84/79/62/493847962.db2.gz XHAXKZSCELTIQF-UHFFFAOYSA-N -1 0 355.799 3.156 50 0 FGAARM CCCc1cc(C(=O)OCC)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000003864106 493858754 /nfs/dbraw/zinc/85/87/54/493858754.db2.gz XEKVOGYDIDCAER-STQMWFEESA-N -1 0 365.451 3.483 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1cccc(NC(=O)c2ccco2)c1 ZINC000005234935 493920119 /nfs/dbraw/zinc/92/01/19/493920119.db2.gz RBNNLEZNXHBAPX-UHFFFAOYSA-N -1 0 372.402 3.341 50 0 FGAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1ccc(Cl)cc1 ZINC000005626409 493937501 /nfs/dbraw/zinc/93/75/01/493937501.db2.gz IBFRAMFUKYRJTN-UHFFFAOYSA-N -1 0 372.837 3.216 50 0 FGAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)CCCC2 ZINC000005924508 493945168 /nfs/dbraw/zinc/94/51/68/493945168.db2.gz QIQAVWYJFWHQAP-UHFFFAOYSA-N -1 0 351.449 3.214 50 0 FGAARM C[C@@H]1CS/C(=C(/C(=O)[O-])C(=O)/C=C/c2cccc([N+](=O)[O-])c2)S1 ZINC000005920048 493945619 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O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc2nccnc21 ZINC000072314673 494151945 /nfs/dbraw/zinc/15/19/45/494151945.db2.gz FMKGMMHDUZIQJO-GOSISDBHSA-N -1 0 374.400 3.172 50 0 FGAARM O=C([O-])c1ccnc(-c2ccnc(NC[C@@H](O)c3ccccc3Cl)n2)c1 ZINC000072422179 494168939 /nfs/dbraw/zinc/16/89/39/494168939.db2.gz OXZAIKGGKIABFP-MRXNPFEDSA-N -1 0 370.796 3.036 50 0 FGAARM Cc1cccc2nc(C(=O)N3CC[C@@H](Cc4ccc(C(=O)[O-])cc4)C3)cn21 ZINC000072448539 494176055 /nfs/dbraw/zinc/17/60/55/494176055.db2.gz AWPNOGOESHEBCK-INIZCTEOSA-N -1 0 363.417 3.046 50 0 FGAARM Cc1cc(N2CCCn3nc(CCC(=O)[O-])cc3C2)nc2cc(F)ccc12 ZINC000072457529 494177865 /nfs/dbraw/zinc/17/78/65/494177865.db2.gz WSSZSHXEJGGDFX-UHFFFAOYSA-N -1 0 368.412 3.306 50 0 FGAARM CC(C)CCn1c2ccccc2c([O-])c(C(=O)NCc2ccncc2)c1=O ZINC000012382245 494229007 /nfs/dbraw/zinc/22/90/07/494229007.db2.gz WFKMDFAFVGHODE-UHFFFAOYSA-N -1 0 365.433 3.078 50 0 FGAARM Cc1occc1-c1nnc2n1NC(c1cccs1)=C(CC(=O)[O-])S2 ZINC000013182348 494280958 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O=S(=O)([N-]c1ncc(Br)cc1F)c1ccccc1Cl ZINC000089821215 494373444 /nfs/dbraw/zinc/37/34/44/494373444.db2.gz VXVSZXGFPCCIMH-UHFFFAOYSA-N -1 0 365.611 3.437 50 0 FGAARM O=C(OC1CCC([N-]C(=O)C(F)(F)F)CC1)c1ccc(F)cc1F ZINC000079024116 494394317 /nfs/dbraw/zinc/39/43/17/494394317.db2.gz KUJDVCULEUQHID-UHFFFAOYSA-N -1 0 351.271 3.111 50 0 FGAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017075080 494407629 /nfs/dbraw/zinc/40/76/29/494407629.db2.gz HKYBCLAHDXFLDA-DZYMPVBWSA-N -1 0 365.451 3.227 50 0 FGAARM CCC1C(=O)N(c2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)N=C1C ZINC000018106946 494424949 /nfs/dbraw/zinc/42/49/49/494424949.db2.gz ZBDIRISBDAGLNM-UHFFFAOYSA-N -1 0 374.418 3.488 50 0 FGAARM COCc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1ccccc1 ZINC000019960986 494465433 /nfs/dbraw/zinc/46/54/33/494465433.db2.gz SMGCSPGRXGUFLO-UHFFFAOYSA-N -1 0 363.373 3.177 50 0 FGAARM CCCCCCNC(CC)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000020548215 494476038 /nfs/dbraw/zinc/47/60/38/494476038.db2.gz ORFZJWVPICSBOQ-WUKNDPDISA-N -1 0 357.454 3.099 50 0 FGAARM Cc1cc(C)n([C@H](CC(=O)c2ccc(Br)cc2)C(=O)[O-])n1 ZINC000020807637 494481986 /nfs/dbraw/zinc/48/19/86/494481986.db2.gz VZEQSJUMCHJWES-CYBMUJFWSA-N -1 0 351.200 3.161 50 0 FGAARM O=S(=O)([N-]c1cccc(OC(F)(F)F)c1)c1c[nH]c2ncccc12 ZINC000057117049 494644474 /nfs/dbraw/zinc/64/44/74/494644474.db2.gz AMUYMPVLEYCTJD-UHFFFAOYSA-N -1 0 357.313 3.262 50 0 FGAARM CCN1c2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cc2C(C)(C)C1=O ZINC000057280450 494702918 /nfs/dbraw/zinc/70/29/18/494702918.db2.gz APNLGETYOKOUFO-ZIAGYGMSSA-N -1 0 358.438 3.160 50 0 FGAARM CCc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nnc(C)o2)cc1 ZINC000075504883 494780858 /nfs/dbraw/zinc/78/08/58/494780858.db2.gz FQHILMJWXFQNCI-UHFFFAOYSA-N -1 0 360.439 3.353 50 0 FGAARM CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)N[C@H]1CCCc2sccc21 ZINC000137378736 495439130 /nfs/dbraw/zinc/43/91/30/495439130.db2.gz KVAJIDVCHPHONU-ZDUSSCGKSA-N -1 0 368.455 3.066 50 0 FGAARM CN(C)c1ccc(C2=NN(C(=O)CCC(=O)[O-])[C@@H](c3ccccc3)C2)cc1 ZINC000170620028 495537486 /nfs/dbraw/zinc/53/74/86/495537486.db2.gz IIONNPYFZZFKMA-LJQANCHMSA-N -1 0 365.433 3.295 50 0 FGAARM CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000170643476 495543472 /nfs/dbraw/zinc/54/34/72/495543472.db2.gz GHWFFXXQGGWJIS-BLLLJJGKSA-N -1 0 359.495 3.263 50 0 FGAARM Cc1nc(-c2c[nH]c(C(=O)N3C[C@H](C(=O)[O-])c4ccccc43)c2)cs1 ZINC000177478416 496076262 /nfs/dbraw/zinc/07/62/62/496076262.db2.gz FUHYAOSIRMUFHP-ZDUSSCGKSA-N -1 0 353.403 3.275 50 0 FGAARM COc1cc(CN(C)[C@@H](C)c2nccs2)cc(Cl)c1OCC(=O)[O-] ZINC000216193739 496987025 /nfs/dbraw/zinc/98/70/25/496987025.db2.gz SASDZBBJAGWAOU-JTQLQIEISA-N -1 0 370.858 3.462 50 0 FGAARM O=C([O-])C[C@@H](NC(=O)c1cccc2c[nH]nc21)c1ccc(Cl)c(F)c1 ZINC000225551638 497065803 /nfs/dbraw/zinc/06/58/03/497065803.db2.gz AYAZMWFCFSSBEY-CQSZACIVSA-N -1 0 361.760 3.301 50 0 FGAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236827720 497153674 /nfs/dbraw/zinc/15/36/74/497153674.db2.gz MBCMZWIDBQTNFC-IEBWSBKVSA-N -1 0 370.449 3.197 50 0 FGAARM Cc1ccc(C)c(C(=O)CCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000192858657 497231111 /nfs/dbraw/zinc/23/11/11/497231111.db2.gz UHXADTRSDWSWCD-LJQANCHMSA-N -1 0 365.429 3.304 50 0 FGAARM C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)C(=O)c1ccc(C(=O)[O-])s1 ZINC000237604910 497262539 /nfs/dbraw/zinc/26/25/39/497262539.db2.gz BPABGSOCQOHKPV-SDWAUSNYSA-N -1 0 351.449 3.017 50 0 FGAARM CCc1ccc(CS(=O)(=O)[N-]C(=O)c2oc(CC(C)C)nc2C)cc1 ZINC000252510740 497308520 /nfs/dbraw/zinc/30/85/20/497308520.db2.gz ZPMRSRZYVYEAFJ-UHFFFAOYSA-N -1 0 364.467 3.004 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000238022239 497328929 /nfs/dbraw/zinc/32/89/29/497328929.db2.gz JVFCBWVAECCGGM-CYBMUJFWSA-N -1 0 361.829 3.243 50 0 FGAARM CCC(=O)Nc1ccc([O-])c(C(=O)N=c2sc3ccccc3n2C)c1 ZINC000254311657 497347535 /nfs/dbraw/zinc/34/75/35/497347535.db2.gz WTHNHIPOOCQTKZ-UHFFFAOYSA-N -1 0 355.419 3.035 50 0 FGAARM Cc1cc([C@@H]2CCCCN2CCC(=O)Nc2ccsc2C(=O)[O-])no1 ZINC000244858498 497371315 /nfs/dbraw/zinc/37/13/15/497371315.db2.gz VMHNXQXQFKVSKT-AWEZNQCLSA-N -1 0 363.439 3.299 50 0 FGAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1scnc1C1CC1 ZINC000190801074 497608250 /nfs/dbraw/zinc/60/82/50/497608250.db2.gz GZOYKWJCGQZLBN-UHFFFAOYSA-N -1 0 366.389 3.416 50 0 FGAARM CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1F)c1ccc(OCC(=O)[O-])cc1 ZINC000263205852 497733036 /nfs/dbraw/zinc/73/30/36/497733036.db2.gz ZBOHSJOSNUIVCR-GJZGRUSLSA-N -1 0 361.344 3.195 50 0 FGAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)N[C@@H](Cc2ccccn2)c2ccccc2)C1 ZINC000263340045 497762166 /nfs/dbraw/zinc/76/21/66/497762166.db2.gz NFKHMARUQZABTF-AYBZRNKSSA-N -1 0 367.449 3.118 50 0 FGAARM CN(Cc1ccc(Cl)s1)C(=O)CN1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299744539 497911308 /nfs/dbraw/zinc/91/13/08/497911308.db2.gz SUXGMNXMQAEXPQ-BNOWGMLFSA-N -1 0 370.902 3.078 50 0 FGAARM Cc1cc(-c2ccc(C(=O)N3CCCC[C@@H]3CO)cc2)nc(C)c1C(=O)[O-] ZINC000584892712 507558281 /nfs/dbraw/zinc/55/82/81/507558281.db2.gz DXQVMAIFRJNKMC-QGZVFWFLSA-N -1 0 368.433 3.051 50 0 FGAARM COC(=O)c1[n-]c(=NC(=O)Cc2cc(F)c(F)cc2F)sc1C(C)C ZINC000079479618 524020127 /nfs/dbraw/zinc/02/01/27/524020127.db2.gz BQGWAPSZTVBNAJ-UHFFFAOYSA-N -1 0 372.368 3.074 50 0 FGAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237324027 524064946 /nfs/dbraw/zinc/06/49/46/524064946.db2.gz DBCIFMLJZKGSNE-OLZOCXBDSA-N -1 0 361.344 3.092 50 0 FGAARM C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000241961426 525302651 /nfs/dbraw/zinc/30/26/51/525302651.db2.gz USMGJHNTONHMCT-OSMZGAPFSA-N -1 0 359.451 3.092 50 0 FGAARM Cc1oc(CNC(=O)[C@@H]2CCCO[C@@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000299752179 526772928 /nfs/dbraw/zinc/77/29/28/526772928.db2.gz STEFOWBWSIHCNT-SJLPKXTDSA-N -1 0 357.406 3.379 50 0 FGAARM C[S@@](=O)Cc1cccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)c1 ZINC000169987655 571260342 /nfs/dbraw/zinc/26/03/42/571260342.db2.gz VVTBKCVSJWZXPN-XMMPIXPASA-N -1 0 351.468 3.319 50 0 FGAARM Cc1cnn(-c2ccc(C(=O)N[C@H](c3ccccc3)[C@@H](C)C(=O)[O-])cc2)c1 ZINC000170044995 571260956 /nfs/dbraw/zinc/26/09/56/571260956.db2.gz AVRBHKBIJPDWSM-BEFAXECRSA-N -1 0 363.417 3.373 50 0 FGAARM C[C@H](CN(C)C(=O)C(C)(C)Sc1ccc(Br)cc1)C(=O)[O-] ZINC000170045297 571260986 /nfs/dbraw/zinc/26/09/86/571260986.db2.gz FCYPHWIHEBKZQE-SNVBAGLBSA-N -1 0 374.300 3.499 50 0 FGAARM C/C(=C\C(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1Cl ZINC000584908027 600967515 /nfs/dbraw/zinc/96/75/15/600967515.db2.gz IDYJMBUVBZCCNC-OUKQBFOZSA-N -1 0 351.830 3.226 50 0 FGAARM CCOC(=O)/C=C/c1ccc([N-]S(=O)(=O)c2cncc(Cl)c2)cc1 ZINC000089978042 700398832 /nfs/dbraw/zinc/39/88/32/700398832.db2.gz IUNYFTJSOQFYEM-VMPITWQZSA-N -1 0 366.826 3.112 50 0 FGAARM CC(C)(C)OC(=O)N[C@@](C)(C(=O)[O-])c1cc(Br)ccc1F ZINC000127548621 700762915 /nfs/dbraw/zinc/76/29/15/700762915.db2.gz IMBNPCRIJKBWLJ-CQSZACIVSA-N -1 0 362.195 3.413 50 0 FGAARM CCC(=NNC(=O)Cn1nc(C)cc1C)c1cc(Cl)cc(Cl)c1[O-] ZINC000254712272 713676387 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CCC[C@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC1 ZINC000104062682 209257870 /nfs/dbraw/zinc/25/78/70/209257870.db2.gz SHRLUUCTMRUDHE-ZDUSSCGKSA-N -1 0 359.495 3.265 50 0 FGAARM COc1ccc(O[C@@H](C)C(=O)c2c(C)[n-]n(Cc3ccccc3)c2=O)cc1 ZINC000103614541 209255563 /nfs/dbraw/zinc/25/55/63/209255563.db2.gz UQFLXPFQLXCPRP-HNAYVOBHSA-N -1 0 366.417 3.066 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)CCn2ccc3ccccc32)cc1C ZINC000042273611 209254579 /nfs/dbraw/zinc/25/45/79/209254579.db2.gz JTDQXOFTTHRQPB-UHFFFAOYSA-N -1 0 356.447 3.153 50 0 FGAARM O=c1c2[n-][nH]n(-c3cccc(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000102818653 209242764 /nfs/dbraw/zinc/24/27/64/209242764.db2.gz SIPUHKWDYZCGDT-DLBZAZTESA-N -1 0 366.808 3.327 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)cc2[n-]c1=S ZINC000102399179 209234856 /nfs/dbraw/zinc/23/48/56/209234856.db2.gz CDDHNGQKQCZSTH-DZGCQCFKSA-N -1 0 371.506 3.357 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cc(C)ccc4C)c=3c2=O)cc1 ZINC000101418377 209224873 /nfs/dbraw/zinc/22/48/73/209224873.db2.gz VZAXEYZSNRJNFS-RBUKOAKNSA-N -1 0 362.433 3.359 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1 ZINC000101167701 209221508 /nfs/dbraw/zinc/22/15/08/209221508.db2.gz NQPZIXVCSOHMDD-SJORKVTESA-N -1 0 368.824 3.396 50 0 FGAARM CCC[C@@H]1[C@@H]2C(=O)N(c3ccccc3OC)C(=O)[C@H]2ON1c1ccccc1 ZINC000100997771 209221040 /nfs/dbraw/zinc/22/10/40/209221040.db2.gz HUDWMABWHZFEIK-NEWSRXKRSA-N -1 0 366.417 3.174 50 0 FGAARM CCn1c2ccccc2c([O-])c(C(=O)NC23CC4CC(CC(C4)C2)C3)c1=O ZINC000100658531 209216659 /nfs/dbraw/zinc/21/66/59/209216659.db2.gz CTWWXAUBMKSWCL-UHFFFAOYSA-N -1 0 366.461 3.426 50 0 FGAARM COc1ccc(-c2c(C)oc3cc(OCC(=O)[O-])ccc3c2=O)cc1OC ZINC000011865122 206802550 /nfs/dbraw/zinc/80/25/50/206802550.db2.gz FHIUNOJFMUPENH-UHFFFAOYSA-N -1 0 370.357 3.249 50 0 FGAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2cccc(C)c2)cc1 ZINC000001267639 206873099 /nfs/dbraw/zinc/87/30/99/206873099.db2.gz XDBDWKVKLHRDKD-UHFFFAOYSA-N -1 0 355.419 3.428 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-] ZINC000004097121 207001496 /nfs/dbraw/zinc/00/14/96/207001496.db2.gz CIMMACURCPXICP-PNQRDDRVSA-N -1 0 354.487 3.475 50 0 endogenous,in-man FGAARM O=C([O-])c1cccc(N2C(=O)c3ccc(C(=O)c4ccccc4)cc3C2=O)c1 ZINC000004109452 207001788 /nfs/dbraw/zinc/00/17/88/207001788.db2.gz WTZZSUPSFFLMKD-UHFFFAOYSA-N -1 0 371.348 3.416 50 0 FGAARM Cc1cccc(N[C@@H]2SC(=O)N(Cc3ccc(C(=O)[O-])cc3)C2=O)c1 ZINC000004271892 207010410 /nfs/dbraw/zinc/01/04/10/207010410.db2.gz MFIXAGLTBWJEKI-OAHLLOKOSA-N -1 0 356.403 3.327 50 0 FGAARM COc1ccc(C)cc1N(C)C(=O)Cc1c2ccccc2n(C)c1C(=O)[O-] ZINC000004192564 207006653 /nfs/dbraw/zinc/00/66/53/207006653.db2.gz ZCQKAZXLARHBSI-UHFFFAOYSA-N -1 0 366.417 3.399 50 0 FGAARM O=C([O-])c1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1Cl ZINC000004680313 207037993 /nfs/dbraw/zinc/03/79/93/207037993.db2.gz QTGDFAKDIIAGDT-UHFFFAOYSA-N -1 0 352.774 3.304 50 0 FGAARM CC[C@@H](CN1N=C(c2ccc(Cl)cc2)CCC1=O)C(=O)CCC(=O)[O-] ZINC000004776770 207048648 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Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OC1(CCCC1)O2 ZINC000007055712 207185863 /nfs/dbraw/zinc/18/58/63/207185863.db2.gz DOAFZAABWQKSQQ-UHFFFAOYSA-N -1 0 350.396 3.134 50 0 FGAARM COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC000007387442 207193622 /nfs/dbraw/zinc/19/36/22/207193622.db2.gz OHOSBCJQSZPNGN-UHFFFAOYSA-N -1 0 363.769 3.436 50 0 FGAARM Cc1cc(OCc2nc(S[C@H]3C[C@@H](C)OC3=O)n[nH]2)ccc1Cl ZINC000008265261 207226133 /nfs/dbraw/zinc/22/61/33/207226133.db2.gz XYZKUMVTVGXCBH-SKDRFNHKSA-N -1 0 353.831 3.142 50 0 FGAARM CCCCCc1nnc(NC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000008312764 207228830 /nfs/dbraw/zinc/22/88/30/207228830.db2.gz SRRDJQATWYHBAE-UHFFFAOYSA-N -1 0 368.484 3.090 50 0 FGAARM Cc1ccc(-c2nnc3n2N=C(c2ccccc2)[C@H](CC(=O)[O-])S3)cc1 ZINC000008391879 207232488 /nfs/dbraw/zinc/23/24/88/207232488.db2.gz WSBCKHBSSRFOPE-HNNXBMFYSA-N -1 0 364.430 3.455 50 0 FGAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1c(C)cc(C)cc1C ZINC000008778918 207248690 /nfs/dbraw/zinc/24/86/90/207248690.db2.gz 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CCN(c1cccc(F)c1)S(=O)(=O)c1cc(C(=O)[O-])cc2c1CCC2 ZINC000058430495 493852528 /nfs/dbraw/zinc/85/25/28/493852528.db2.gz GIAHLQTVQVQWSY-UHFFFAOYSA-N -1 0 363.410 3.228 50 0 FGAARM CC(C)Oc1ccc([C@@H](CC(=O)[O-])NC(=O)COc2ccccc2)cc1 ZINC000003623795 493857194 /nfs/dbraw/zinc/85/71/94/493857194.db2.gz PVOMLYCMUZXHFP-GOSISDBHSA-N -1 0 357.406 3.185 50 0 FGAARM CCOc1ccc(-c2ccnc(N(C)C[C@@H]3CCCCO3)n2)cc1C(=O)[O-] ZINC000077379278 494070789 /nfs/dbraw/zinc/07/07/89/494070789.db2.gz XUSWPNIADDAVBH-HNNXBMFYSA-N -1 0 371.437 3.246 50 0 FGAARM COc1cccc(-c2cc(C(=O)N[C@@H](C)C(=O)[O-])c3ccccc3n2)c1 ZINC000071285347 494090701 /nfs/dbraw/zinc/09/07/01/494090701.db2.gz UFEYWUJTOVXTGW-LBPRGKRZSA-N -1 0 350.374 3.113 50 0 FGAARM COc1ccccc1Oc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cn1 ZINC000071285133 494091115 /nfs/dbraw/zinc/09/11/15/494091115.db2.gz DWXOPDILTLWYJF-HOTGVXAUSA-N -1 0 356.378 3.178 50 0 FGAARM COc1ccccc1[C@H]1CC(c2ccco2)=NN1C(=O)CCCC(=O)[O-] ZINC000085344951 494115753 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COc1cccc([N-]S(=O)(=O)c2ccc(-c3ccno3)cc2OC)c1 ZINC000064979510 494163651 /nfs/dbraw/zinc/16/36/51/494163651.db2.gz YLWLMTFGRQINPK-UHFFFAOYSA-N -1 0 360.391 3.160 50 0 FGAARM CCc1nc2sc(C)nn2c1S(=O)(=O)[N-]c1cccc(Cl)c1 ZINC000065183898 494177899 /nfs/dbraw/zinc/17/78/99/494177899.db2.gz YWEJBYANWUJWLI-UHFFFAOYSA-N -1 0 356.860 3.116 50 0 FGAARM C[C@@H]1C[C@H](C)CN(C(=O)CCCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000013147364 494278933 /nfs/dbraw/zinc/27/89/33/494278933.db2.gz OKVHEWLZUHCTRI-OKILXGFUSA-N -1 0 359.495 3.344 50 0 FGAARM CCCOc1c(Cl)cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000013171182 494280456 /nfs/dbraw/zinc/28/04/56/494280456.db2.gz IXVFTJJNRXOZBY-NSHDSACASA-N -1 0 355.818 3.074 50 0 FGAARM COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1Cl ZINC000013346028 494286486 /nfs/dbraw/zinc/28/64/86/494286486.db2.gz NKXNVXSICXEUIJ-RUDMXATFSA-N -1 0 367.810 3.247 50 0 FGAARM Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(C(=O)[O-])c(Cl)c2)c1 ZINC000089616837 494331170 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Cc1cc(N[C@@H]2CCOC3(CCOCC3)C2)nc(-c2ccccc2[O-])n1 ZINC000092099584 494789224 /nfs/dbraw/zinc/78/92/24/494789224.db2.gz WCIJPHCQRFMYBN-OAHLLOKOSA-N -1 0 355.438 3.298 50 0 FGAARM Cc1ccccc1NCc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101802839 495100249 /nfs/dbraw/zinc/10/02/49/495100249.db2.gz BHACNIZDKQPZHL-UHFFFAOYSA-N -1 0 359.433 3.237 50 0 FGAARM CC(C)c1cccc(S(=O)(=O)[N-]c2nnc(CCc3ccco3)[nH]2)c1 ZINC000170596534 495531382 /nfs/dbraw/zinc/53/13/82/495531382.db2.gz UQUMOSTZOPSVIN-UHFFFAOYSA-N -1 0 360.439 3.107 50 0 FGAARM COC(=O)C[C@H](c1ccc(C(C)C)cc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205947365 496973622 /nfs/dbraw/zinc/97/36/22/496973622.db2.gz RSXPPMRHMYDTRI-MRXNPFEDSA-N -1 0 366.417 3.219 50 0 FGAARM CCOc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1ccc(Cl)cc1 ZINC000227144942 497086327 /nfs/dbraw/zinc/08/63/27/497086327.db2.gz UZLTWKVLCOJNOO-UHFFFAOYSA-N -1 0 356.783 3.205 50 0 FGAARM C[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)c1ccc(OC(F)(F)F)cc1 ZINC000237517714 497249725 /nfs/dbraw/zinc/24/97/25/497249725.db2.gz ONDMCMOHUWMYFJ-SECBINFHSA-N -1 0 354.284 3.169 50 0 FGAARM Cc1cc(NC(=O)c2ccc(CN3CCCC3=O)cc2)ccc1C(=O)[O-] ZINC000237833893 497299196 /nfs/dbraw/zinc/29/91/96/497299196.db2.gz BFMLHNAEJVTHSS-UHFFFAOYSA-N -1 0 352.390 3.068 50 0 FGAARM CC(=[NH+][N-]c1ccccc1C(=O)[O-])c1ccc(N2CCOCC2)c(F)c1 ZINC000252505846 497308643 /nfs/dbraw/zinc/30/86/43/497308643.db2.gz NXMFEVCUYHWZOP-UHFFFAOYSA-N -1 0 357.385 3.197 50 0 FGAARM CC[C@H](C)Oc1cc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])ccn1 ZINC000262766863 497616412 /nfs/dbraw/zinc/61/64/12/497616412.db2.gz LTAYNOXDIQYAHB-SCLBCKFNSA-N -1 0 354.406 3.083 50 0 FGAARM O=C([O-])c1ccc(CNC(=O)c2ccccc2OC(F)(F)C(F)F)o1 ZINC000299794475 497925282 /nfs/dbraw/zinc/92/52/82/497925282.db2.gz IXAMBCJQKKITJO-UHFFFAOYSA-N -1 0 361.247 3.145 50 0 FGAARM Cc1nc(-c2cccc(C(=O)NCCCc3n[n-]c(=N)s3)c2)sc1C ZINC000426693699 500307813 /nfs/dbraw/zinc/30/78/13/500307813.db2.gz IIDUWEATQAQHOM-UHFFFAOYSA-N -1 0 373.507 3.054 50 0 FGAARM FC(F)(F)Oc1ccc(CCN=c2[n-]nc(-c3ccon3)s2)cc1 ZINC000561131197 505258657 /nfs/dbraw/zinc/25/86/57/505258657.db2.gz PXNCZLSHDOTVKE-UHFFFAOYSA-N -1 0 356.329 3.168 50 0 FGAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(N3CCCC3)c(Cl)c2)C1 ZINC000243932444 518181304 /nfs/dbraw/zinc/18/13/04/518181304.db2.gz BVKAWPNCCRYCBY-GOSISDBHSA-N -1 0 350.846 3.267 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000237318835 522432469 /nfs/dbraw/zinc/43/24/69/522432469.db2.gz ZHLNYNXUEORMKT-HIFRSBDPSA-N -1 0 361.344 3.092 50 0 FGAARM COc1cccc([C@@H]2CN(C(=O)Cc3cc(C)ccc3C)C[C@H]2C(=O)[O-])c1 ZINC000091644895 524121220 /nfs/dbraw/zinc/12/12/20/524121220.db2.gz CRURCTRZNYOJOQ-VQTJNVASSA-N -1 0 367.445 3.181 50 0 FGAARM Cc1oc(-c2ccsc2)nc1CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000268934732 526749734 /nfs/dbraw/zinc/74/97/34/526749734.db2.gz GSUGOKHAFVNIPQ-MAZHCROVSA-N -1 0 374.462 3.498 50 0 FGAARM Cn1c(=O)c(-c2nc(-c3ccc(F)cc3)no2)c([O-])c2cc(F)ccc21 ZINC000101725136 570822487 /nfs/dbraw/zinc/82/24/87/570822487.db2.gz SLSZTHQCNIDXAX-UHFFFAOYSA-N -1 0 355.300 3.239 50 0 FGAARM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccccc1-c1nncn1C ZINC000048355881 570950942 /nfs/dbraw/zinc/95/09/42/570950942.db2.gz VTIXGVVKBJJKNX-UHFFFAOYSA-N -1 0 362.842 3.245 50 0 FGAARM CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236695970 571121989 /nfs/dbraw/zinc/12/19/89/571121989.db2.gz AUMFVTSZVWVGTD-OYLFLEFRSA-N -1 0 351.468 3.062 50 0 FGAARM O=C(N[C@@H]1CCC[C@H](C(=O)NC2CC2)C1)c1ccc2[n-]c(=S)oc2c1 ZINC000073761737 571139110 /nfs/dbraw/zinc/13/91/10/571139110.db2.gz RULBJORZFCSXQH-GXFFZTMASA-N -1 0 359.451 3.058 50 0 FGAARM O=C([O-])c1ncoc1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000616569588 571144845 /nfs/dbraw/zinc/14/48/45/571144845.db2.gz WKKKOJAHZFKAJC-UHFFFAOYSA-N -1 0 364.357 3.412 50 0 FGAARM C/C(=C\C(=O)N(CC(=O)[O-])C1CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000584908007 600957655 /nfs/dbraw/zinc/95/76/55/600957655.db2.gz UJRFZWVMWIILJJ-FMIVXFBMSA-N -1 0 371.355 3.201 50 0 FGAARM C/C=C/c1ccc(Oc2nnnn2-c2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000001049486 219359005 /nfs/dbraw/zinc/35/90/05/219359005.db2.gz HHMGXTZQBRVUKF-ONEGZZNKSA-N -1 0 352.350 3.195 50 0 FGAARM O=S(=O)(Cc1ccccc1)[N-]c1nnc(CCc2ccccc2)s1 ZINC000001113564 219371282 /nfs/dbraw/zinc/37/12/82/219371282.db2.gz ZYYLHUSCXFPSOH-UHFFFAOYSA-N -1 0 359.476 3.265 50 0 FGAARM O=C([O-])CCCCCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000216626626 209653528 /nfs/dbraw/zinc/65/35/28/209653528.db2.gz RSFFRROTNXKDKK-IBGZPJMESA-N -1 0 364.401 3.446 50 0 FGAARM Cc1cc(S(=O)(=O)Nc2ccccc2C(=O)[O-])ccc1Br ZINC000013262510 209578712 /nfs/dbraw/zinc/57/87/12/209578712.db2.gz HIPZMOANRHFVFU-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000005953049 209505233 /nfs/dbraw/zinc/50/52/33/209505233.db2.gz DGZXNXCAKMCXGV-VXGBXAGGSA-N -1 0 351.424 3.147 50 0 FGAARM CC(C)CCn1c(=O)c(C(=O)Nc2nccs2)c([O-])c2ccccc21 ZINC000100602552 209481820 /nfs/dbraw/zinc/48/18/20/209481820.db2.gz UFJOTRLPQTVMER-UHFFFAOYSA-N -1 0 357.435 3.462 50 0 FGAARM CSCC[C@@H](Nc1nc(C)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000001828593 209393078 /nfs/dbraw/zinc/39/30/78/209393078.db2.gz DGFVLMJUBYWLDJ-LLVKDONJSA-N -1 0 351.497 3.497 50 0 FGAARM C[C@@H]1Oc2ccccc2C=C1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O ZINC000001464528 209390286 /nfs/dbraw/zinc/39/02/86/209390286.db2.gz OPJMPDNYXRIESN-RSYJBZMQSA-N -1 0 361.444 3.070 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1cccc(C(=O)N2CCCCC2)c1 ZINC000000794637 209376487 /nfs/dbraw/zinc/37/64/87/209376487.db2.gz VDZNFNDMTIDYPK-IAGOWNOFSA-N -1 0 358.438 3.142 50 0 FGAARM O=C([O-])c1ccc(Nc2ccnc(Nc3ccc4c(c3)OCO4)n2)cc1 ZINC000170621796 209375403 /nfs/dbraw/zinc/37/54/03/209375403.db2.gz XXWBJXWUKLMXQL-UHFFFAOYSA-N -1 0 350.334 3.391 50 0 FGAARM O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccco3)[C@@H]2C(=O)N1c1ccccc1 ZINC000136458260 209374263 /nfs/dbraw/zinc/37/42/63/209374263.db2.gz NRGSUXPIXSRJFZ-GBESFXJTSA-N -1 0 360.369 3.331 50 0 FGAARM Cc1ccc(NC(=O)[C@H]2CC(=O)N([C@@H](C)c3ccccc3)C2)cc1C(=O)[O-] ZINC000124999066 209362365 /nfs/dbraw/zinc/36/23/65/209362365.db2.gz BGMDBIMZPCUPSV-HOCLYGCPSA-N -1 0 366.417 3.241 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCOc2ccc(F)cc2Cl)C1 ZINC000238001083 209358889 /nfs/dbraw/zinc/35/88/89/209358889.db2.gz YJLNFVWJZOEVRV-GFCCVEGCSA-N -1 0 357.809 3.351 50 0 FGAARM O=C([O-])CCN(C(=O)Cc1c(Cl)cccc1Cl)C1CCOCC1 ZINC000238065015 209358802 /nfs/dbraw/zinc/35/88/02/209358802.db2.gz LDCLLUMCGGVISU-UHFFFAOYSA-N -1 0 360.237 3.018 50 0 FGAARM O=C([O-])CCN(C(=O)Cc1ccc(Cl)cc1Cl)C1CCOCC1 ZINC000238065591 209357399 /nfs/dbraw/zinc/35/73/99/209357399.db2.gz MXUGGXUYCPNXNJ-UHFFFAOYSA-N -1 0 360.237 3.018 50 0 FGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cc1coc(-c2ccccc2)n1 ZINC000237974137 209357015 /nfs/dbraw/zinc/35/70/15/209357015.db2.gz KYHDMDLRQLQRMJ-XIRDDKMYSA-N -1 0 354.406 3.128 50 0 FGAARM Cc1ccc(-n2ncc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2C2CC2)cc1Cl ZINC000237782386 209354262 /nfs/dbraw/zinc/35/42/62/209354262.db2.gz FCIWMGVBJCSPPC-CYBMUJFWSA-N -1 0 373.840 3.258 50 0 FGAARM Cc1ccc(C(=O)c2ccccc2C(=O)N2CC[C@H](C(=O)[O-])C2)cc1C ZINC000237652885 209353025 /nfs/dbraw/zinc/35/30/25/209353025.db2.gz ATHKWAGLEABGFY-INIZCTEOSA-N -1 0 351.402 3.081 50 0 FGAARM C[C@@H](CC(=O)N(CC(=O)[O-])C1CCOCC1)c1ccccc1C(F)(F)F ZINC000237303017 209344530 /nfs/dbraw/zinc/34/45/30/209344530.db2.gz CVPLZIKQBPDEOT-LBPRGKRZSA-N -1 0 373.371 3.291 50 0 FGAARM O=C([O-])c1cccc(C(=O)N(CCOc2ccccc2)C[C@H]2CCCO2)c1 ZINC000102545922 209237992 /nfs/dbraw/zinc/23/79/92/209237992.db2.gz IWYKDALNVVYUMP-LJQANCHMSA-N -1 0 369.417 3.085 50 0 FGAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3cccc(C)c3C)c2=O)n1 ZINC000101831051 209230542 /nfs/dbraw/zinc/23/05/42/209230542.db2.gz ORCBIHXYXCKXGB-UHFFFAOYSA-N -1 0 356.451 3.449 50 0 FGAARM CCCCNC(=O)Cc1c(C)[n-]n(-c2nc(-c3ccccc3)cs2)c1=O ZINC000101505685 209227796 /nfs/dbraw/zinc/22/77/96/209227796.db2.gz UCPCTABSZPRATG-UHFFFAOYSA-N -1 0 370.478 3.469 50 0 FGAARM Cc1[n-]n(-c2nc(-c3ccccc3)cs2)c(=O)c1CCC(=O)NC(C)C ZINC000101501906 209227523 /nfs/dbraw/zinc/22/75/23/209227523.db2.gz WOPJUYMIFFIUOI-UHFFFAOYSA-N -1 0 370.478 3.467 50 0 FGAARM CC(C)Cn1c(=O)c(C(=O)Nc2ccc(O)cc2)c([O-])c2ccccc21 ZINC000100461116 209215261 /nfs/dbraw/zinc/21/52/61/209215261.db2.gz SBGPVOFCTRRGKY-UHFFFAOYSA-N -1 0 352.390 3.321 50 0 FGAARM Cc1c2ccccc2oc1C(=O)[N-]n1c(=O)c2ccccc2[nH]c1=S ZINC000100195375 209210775 /nfs/dbraw/zinc/21/07/75/209210775.db2.gz RSCRTNRSBYQRMK-UHFFFAOYSA-N -1 0 351.387 3.498 50 0 FGAARM COc1ccc(C(=O)[O-])cc1NC(=O)CSc1nc2ccccc2o1 ZINC000215672939 206688277 /nfs/dbraw/zinc/68/82/77/206688277.db2.gz AOCBQWOCEAXCSS-UHFFFAOYSA-N -1 0 358.375 3.265 50 0 FGAARM COc1ccc(Cl)cc1NC(=O)[N-]S(=O)(=O)c1ccc(C)cc1 ZINC000001231744 206870690 /nfs/dbraw/zinc/87/06/90/206870690.db2.gz IHYMKHCECQMYFG-UHFFFAOYSA-N -1 0 354.815 3.167 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccccc1I ZINC000002773324 206933377 /nfs/dbraw/zinc/93/33/77/206933377.db2.gz JJACPDDDRHZTPZ-UWVGGRQHSA-N -1 0 373.190 3.121 50 0 FGAARM CCOc1cc(S(=O)(=O)[N-]c2cccc(C)n2)c(OCC)cc1C ZINC000004411762 207017812 /nfs/dbraw/zinc/01/78/12/207017812.db2.gz PDWUCAUBUDNKKD-UHFFFAOYSA-N -1 0 350.440 3.297 50 0 FGAARM CCOc1ccc(OCC)c(S(=O)(=O)[N-]c2ccc3c[nH]nc3c2)c1 ZINC000004625522 207034138 /nfs/dbraw/zinc/03/41/38/207034138.db2.gz QVPJMBNJLWJIBL-UHFFFAOYSA-N -1 0 361.423 3.161 50 0 FGAARM O=C([O-])COc1ccc(NC(=O)COc2ccc3ccccc3c2)cc1 ZINC000004690406 207039092 /nfs/dbraw/zinc/03/90/92/207039092.db2.gz SVNLUVPKYDVVSX-UHFFFAOYSA-N -1 0 351.358 3.321 50 0 FGAARM CC(=O)Oc1ccc(NC(=O)CSCc2ccccc2)c(C(=O)[O-])c1 ZINC000004824096 207052872 /nfs/dbraw/zinc/05/28/72/207052872.db2.gz ORNWFWIVPBQVLP-UHFFFAOYSA-N -1 0 359.403 3.182 50 0 FGAARM O=C([O-])C[C@@H]1Sc2nc3ccccc3n2[C@]1(O)c1ccc(Cl)cc1 ZINC000005117539 207081435 /nfs/dbraw/zinc/08/14/35/207081435.db2.gz JMBHHZBJVMEEAP-YOEHRIQHSA-N -1 0 360.822 3.332 50 0 FGAARM C[C@@H](SCC(=O)N(CCc1ccccc1)Cc1ccccc1)C(=O)[O-] ZINC000006507241 207143029 /nfs/dbraw/zinc/14/30/29/207143029.db2.gz WLRDHDWSIXDFTG-MRXNPFEDSA-N -1 0 357.475 3.464 50 0 FGAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000006714229 207155247 /nfs/dbraw/zinc/15/52/47/207155247.db2.gz CSOYQTOQCAVOIJ-NEPJUHHUSA-N -1 0 353.216 3.230 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000006770747 207163225 /nfs/dbraw/zinc/16/32/25/207163225.db2.gz UEZTVNQCDFHNTE-IAGOWNOFSA-N -1 0 368.824 3.396 50 0 FGAARM Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(CC(=O)[O-])cc3)C2=O)cc1Cl ZINC000006831751 207171769 /nfs/dbraw/zinc/17/17/69/207171769.db2.gz DFRYWOKDQGCNDY-MRXNPFEDSA-N -1 0 372.808 3.020 50 0 FGAARM O=C([O-])CNC(=O)c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 ZINC000008133029 207220571 /nfs/dbraw/zinc/22/05/71/207220571.db2.gz HNRRMACVSHBTPH-UHFFFAOYSA-N -1 0 361.357 3.100 50 0 FGAARM O=C([O-])c1ccccc1C(=O)Nc1ccccc1C(=O)N1CCCCC1 ZINC000012137030 207340994 /nfs/dbraw/zinc/34/09/94/207340994.db2.gz JUYGATVLTBVCCS-UHFFFAOYSA-N -1 0 352.390 3.263 50 0 FGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1cc(F)cc(F)c1)O[C@H](C)C2 ZINC000012585413 207398699 /nfs/dbraw/zinc/39/86/99/207398699.db2.gz XPTKHVWOAWWLAP-SNVBAGLBSA-N -1 0 369.389 3.488 50 0 FGAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C)s1 ZINC000012605582 207402669 /nfs/dbraw/zinc/40/26/69/207402669.db2.gz JSJADUMCJVOPKN-LLVKDONJSA-N -1 0 352.481 3.386 50 0 FGAARM O=C([O-])c1ccccc1SCC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000012940524 207439185 /nfs/dbraw/zinc/43/91/85/207439185.db2.gz MDFXYKUDWONVID-UHFFFAOYSA-N -1 0 359.403 3.277 50 0 FGAARM COc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1N1CCCC1=O ZINC000030521920 208001814 /nfs/dbraw/zinc/00/18/14/208001814.db2.gz JJKDEMBLOSRVMQ-UHFFFAOYSA-N -1 0 374.437 3.186 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)C[C@@H]2O[C@@H](CCCCC(=O)[O-])C[C@H]12 ZINC000034190356 208101761 /nfs/dbraw/zinc/10/17/61/208101761.db2.gz RJADQDXZYFCVHV-CBIPHORWSA-N -1 0 354.487 3.283 50 0 in-vitro FGAARM COc1ccc(C(=O)c2sc3sc4c([nH]c(=O)cc4[O-])c3c2N)cc1 ZINC000035326910 208122899 /nfs/dbraw/zinc/12/28/99/208122899.db2.gz MGZPJXZTPMBSHP-UHFFFAOYSA-N -1 0 372.427 3.332 50 0 FGAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(CC)c2)c1C ZINC000075348038 208194432 /nfs/dbraw/zinc/19/44/32/208194432.db2.gz RNSZUWFFNNKNCE-UHFFFAOYSA-N -1 0 350.440 3.171 50 0 FGAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C(C)(C)SCCc1ccncc1 ZINC000038528833 208204239 /nfs/dbraw/zinc/20/42/39/208204239.db2.gz RCRDVXUYLINCFB-CYBMUJFWSA-N -1 0 354.472 3.114 50 0 FGAARM CSCC[C@H](NC(=O)CCn1ccc2ccc(Cl)cc21)C(=O)[O-] ZINC000040309585 208247837 /nfs/dbraw/zinc/24/78/37/208247837.db2.gz OGOLBJOFJCDGSK-ZDUSSCGKSA-N -1 0 354.859 3.007 50 0 FGAARM COc1cccc([C@H](c2sc3nc(C)nn3c2[O-])N2CCCC2)c1OC ZINC000041633962 208286555 /nfs/dbraw/zinc/28/65/55/208286555.db2.gz BTMBFPOMXKBWPW-CQSZACIVSA-N -1 0 374.466 3.007 50 0 FGAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2[nH]c(=O)sc2c1 ZINC000046017415 208355829 /nfs/dbraw/zinc/35/58/29/208355829.db2.gz WTQWYNCMFDYXBI-UHFFFAOYSA-N -1 0 370.839 3.052 50 0 FGAARM Cc1oc(CN(C)C(=O)c2ccccc2OC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299752047 208360121 /nfs/dbraw/zinc/36/01/21/208360121.db2.gz SNFLTRGLWFXTRC-AWEZNQCLSA-N -1 0 373.405 3.116 50 0 FGAARM Cc1oc(CNC(=O)[C@H]2CCCO[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000299752180 208360381 /nfs/dbraw/zinc/36/03/81/208360381.db2.gz STEFOWBWSIHCNT-WMZOPIPTSA-N -1 0 357.406 3.379 50 0 FGAARM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1(C)C ZINC000086338299 208966789 /nfs/dbraw/zinc/96/67/89/208966789.db2.gz DREJTMMAHZAJFJ-FZKQIMNGSA-N -1 0 361.467 3.274 50 0 FGAARM Cc1ccccc1[C@@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@H]1C(=O)[O-] ZINC000091894847 209003649 /nfs/dbraw/zinc/00/36/49/209003649.db2.gz XXVUPQJLGZQFIL-RBUKOAKNSA-N -1 0 364.445 3.209 50 0 FGAARM COc1cccc(SCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c1 ZINC000091724919 208992030 /nfs/dbraw/zinc/99/20/30/208992030.db2.gz HCWRUURIAVNLIW-ZWKOTPCHSA-N -1 0 371.458 3.114 50 0 FGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1NC(=O)C[C@@H]1CCOc2ccccc21 ZINC000096011840 209096007 /nfs/dbraw/zinc/09/60/07/209096007.db2.gz UIMIYEKKBQJKIM-HNNXBMFYSA-N -1 0 363.417 3.369 50 0 FGAARM Cc1nc(COc2ccccc2/C=C/C(=O)NCC(C)(C)C(=O)[O-])cs1 ZINC000095970745 209091276 /nfs/dbraw/zinc/09/12/76/209091276.db2.gz ALNNSIHFWGBCTC-CMDGGOBGSA-N -1 0 374.462 3.271 50 0 FGAARM Cc1ccc(C(=O)[O-])c(N2CC[C@]3(C2)CCCN(C2CCCCC2)C3=O)n1 ZINC000095387741 209044512 /nfs/dbraw/zinc/04/45/12/209044512.db2.gz AUQLEBWIDQZUII-NRFANRHFSA-N -1 0 371.481 3.240 50 0 FGAARM Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095376122 209037235 /nfs/dbraw/zinc/03/72/35/209037235.db2.gz QGPJOGKGAXUGMK-SFHVURJKSA-N -1 0 369.465 3.074 50 0 FGAARM CCCN1Cc2cccc([N-]S(=O)(=O)c3sccc3OC)c2C1 ZINC000095414622 209048660 /nfs/dbraw/zinc/04/86/60/209048660.db2.gz MPWLKBCXGUKZDU-UHFFFAOYSA-N -1 0 352.481 3.283 50 0 FGAARM Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CC(=O)[O-])CC2=O)c1C ZINC000095471847 209056524 /nfs/dbraw/zinc/05/65/24/209056524.db2.gz LZTIQVZJHTZJTK-HNNXBMFYSA-N -1 0 363.417 3.258 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(-c3ccsc3)no2)c1 ZINC000065153419 221173722 /nfs/dbraw/zinc/17/37/22/221173722.db2.gz ZORLMIKHKYVAMC-UHFFFAOYSA-N -1 0 366.420 3.221 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCCCC1=O ZINC000005329869 132257219 /nfs/dbraw/zinc/25/72/19/132257219.db2.gz AVZRMYMKQSRMLZ-UHFFFAOYSA-N -1 0 350.465 3.374 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)Cc2c(Cl)cccc2Cl)c2ccccc2O1 ZINC000012940757 132306565 /nfs/dbraw/zinc/30/65/65/132306565.db2.gz PVWWXTRSXRSNPA-HNNXBMFYSA-N -1 0 366.200 3.415 50 0 FGAARM O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1cccc(Cl)c1 ZINC000058772840 132376443 /nfs/dbraw/zinc/37/64/43/132376443.db2.gz JAXHIKYDCGGMJW-UHFFFAOYSA-N -1 0 351.811 3.180 50 0 FGAARM O=C([O-])C[C@@H](CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccccc1 ZINC000001033258 132379688 /nfs/dbraw/zinc/37/96/88/132379688.db2.gz IGKYGIJNFWUEGL-QGZVFWFLSA-N -1 0 368.433 3.110 50 0 FGAARM O=C([O-])c1cc(NC(=O)c2ccccc2Cl)ccc1N1CCOCC1 ZINC000046053525 136122036 /nfs/dbraw/zinc/12/20/36/136122036.db2.gz 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ZINC000003166199 493832379 /nfs/dbraw/zinc/83/23/79/493832379.db2.gz FAQOSEOBTGYNOJ-UHFFFAOYSA-N -1 0 366.154 3.415 50 0 FGAARM O=C([O-])CCc1ccc(-c2ccccc2)n1NC(=O)c1ccc(O)cc1 ZINC000000559564 493765647 /nfs/dbraw/zinc/76/56/47/493765647.db2.gz ZFCNICANCQSBML-UHFFFAOYSA-N -1 0 350.374 3.262 50 0 FGAARM COC(=O)c1c(C)c(Cc2ccccc2)sc1NC(=O)CCC(=O)[O-] ZINC000000728587 493771216 /nfs/dbraw/zinc/77/12/16/493771216.db2.gz SUPDIEWBNGLDPV-UHFFFAOYSA-N -1 0 361.419 3.237 50 0 FGAARM CCc1ccc(CC)c(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1 ZINC000000950304 493780232 /nfs/dbraw/zinc/78/02/32/493780232.db2.gz XKFRHUCZGRZHJO-QGZVFWFLSA-N -1 0 361.463 3.306 50 0 FGAARM COc1cc(NC(=O)CSCc2ccccc2)c(C(=O)[O-])cc1OC ZINC000001138030 493785964 /nfs/dbraw/zinc/78/59/64/493785964.db2.gz KZBXLVGEMOJPJB-UHFFFAOYSA-N -1 0 361.419 3.274 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000001145111 493787157 /nfs/dbraw/zinc/78/71/57/493787157.db2.gz RFUDVJOOUBKKPY-KGLIPLIRSA-N -1 0 373.434 3.225 50 0 FGAARM CCOC(=O)c1sc(NC(=O)CCCC(=O)[O-])nc1-c1ccccc1 ZINC000002765028 493818531 /nfs/dbraw/zinc/81/85/31/493818531.db2.gz MREDDEMVBMKFJZ-UHFFFAOYSA-N -1 0 362.407 3.180 50 0 FGAARM CCCCc1ccc([C@@H](NC(=O)c2n[nH]c(=O)[n-]2)c2cccs2)cc1 ZINC000058144625 493827108 /nfs/dbraw/zinc/82/71/08/493827108.db2.gz CTPJHPXBTJQKFK-OAHLLOKOSA-N -1 0 356.451 3.022 50 0 FGAARM Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2CCCC2)c1 ZINC000003442281 493845645 /nfs/dbraw/zinc/84/56/45/493845645.db2.gz QBTWMNJWQAQUMI-UHFFFAOYSA-N -1 0 368.462 3.339 50 0 FGAARM O=c1c([C@H](O)c2ccc(O)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000003849052 493858171 /nfs/dbraw/zinc/85/81/71/493858171.db2.gz UNZQVXZVSXDPPT-ZIAGYGMSSA-N -1 0 350.296 3.007 50 0 FGAARM COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccccc1C(=O)[O-])CC2 ZINC000004090191 493864279 /nfs/dbraw/zinc/86/42/79/493864279.db2.gz ULONVOZYUKMSTK-GFCCVEGCSA-N -1 0 355.390 3.162 50 0 FGAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000004613919 493884764 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Cc1nn2c(nccc2-c2c([O-])cc(C)oc2=O)c1-c1ccc(F)cc1 ZINC000071375524 494092097 /nfs/dbraw/zinc/09/20/97/494092097.db2.gz SXHKSPWXQMQOAA-UHFFFAOYSA-N -1 0 351.337 3.478 50 0 FGAARM CCOc1ccc(-c2ccnc(NC[C@@H]3CCCOC3)n2)cc1C(=O)[O-] ZINC000077554872 494113910 /nfs/dbraw/zinc/11/39/10/494113910.db2.gz RHDCRKREJVCTOV-ZDUSSCGKSA-N -1 0 357.410 3.079 50 0 FGAARM CC(Nc1ccccc1F)=C1C(=O)[N-]C(=O)N(c2ccccc2C)C1=O ZINC000009088041 494114040 /nfs/dbraw/zinc/11/40/40/494114040.db2.gz OBPZALIRAUOGQL-FOWTUZBSSA-N -1 0 353.353 3.103 50 0 FGAARM CC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(C)cc2)C1=O ZINC000009356771 494121610 /nfs/dbraw/zinc/12/16/10/494121610.db2.gz AQRQKZGSRHIEFA-FOWTUZBSSA-N -1 0 353.353 3.103 50 0 FGAARM CCNc1nc(C)c(C(=O)N2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)s1 ZINC000072151456 494135801 /nfs/dbraw/zinc/13/58/01/494135801.db2.gz AERNHOFFYVBCMD-AWEZNQCLSA-N -1 0 373.478 3.286 50 0 FGAARM CCn1cc(C(=O)c2ccccc2[O-])cc1-c1nc2ccccc2c(=O)[nH]1 ZINC000010025010 494140142 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C[C@@H](C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1)c1c(F)cccc1F ZINC000263193944 497729900 /nfs/dbraw/zinc/72/99/00/497729900.db2.gz YABIDERXNWRDNB-NEPJUHHUSA-N -1 0 363.360 3.409 50 0 FGAARM COC[C@@H]1CCCN1C(=O)c1ccc(-c2ncc(C(=O)[O-])cc2Cl)cc1 ZINC000426547650 500288093 /nfs/dbraw/zinc/28/80/93/500288093.db2.gz RKPQYUKPFDJCJI-HNNXBMFYSA-N -1 0 374.824 3.351 50 0 FGAARM CC(C)(C)c1ccc(OCc2ccc(C(=O)[N-]S(C)(=O)=O)cc2)cc1 ZINC000521402310 504726083 /nfs/dbraw/zinc/72/60/83/504726083.db2.gz YBNTVWUVQSNNNR-UHFFFAOYSA-N -1 0 361.463 3.253 50 0 FGAARM O=C([O-])CN(C(=O)/C=C\c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000606442010 507406857 /nfs/dbraw/zinc/40/68/57/507406857.db2.gz YVTQKSYKLUPMSX-RJRFIUFISA-N -1 0 358.221 3.099 50 0 FGAARM CC(C)c1ncc(Cl)c(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])n1 ZINC000268952156 519875100 /nfs/dbraw/zinc/87/51/00/519875100.db2.gz UMYXMYKKEFLDKZ-UHTWSYAYSA-N -1 0 351.834 3.111 50 0 FGAARM CCOc1ccccc1Oc1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000269210716 521568722 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FGAARM Cn1c(=O)c2ccc(C(=O)N(C3CC3)C3CCCCC3)cc2[n-]c1=S ZINC000103862791 209256160 /nfs/dbraw/zinc/25/61/60/209256160.db2.gz FGYNMHZGTHTMRD-UHFFFAOYSA-N -1 0 357.479 3.160 50 0 FGAARM O=c1cc(CNc2ccc(Cl)cc2)nc2[n-]c(-c3cccs3)nn21 ZINC000101842090 209230427 /nfs/dbraw/zinc/23/04/27/209230427.db2.gz UTQKWXPMOWZHAC-UHFFFAOYSA-N -1 0 357.826 3.412 50 0 FGAARM Cc1nc(-n2[n-]c(C)c(CC(=O)Nc3ccccc3C)c2=O)sc1C ZINC000101831602 209231236 /nfs/dbraw/zinc/23/12/36/209231236.db2.gz DIMQDLKAGIMZQB-UHFFFAOYSA-N -1 0 356.451 3.449 50 0 FGAARM O=c1cc(CNc2ccccc2Cl)nc2[n-]c(-c3cccs3)nn21 ZINC000101842040 209230305 /nfs/dbraw/zinc/23/03/05/209230305.db2.gz YTAIEEIYCUMEKG-UHFFFAOYSA-N -1 0 357.826 3.412 50 0 FGAARM CCn1c2ccccc2c2cc([C@H]3CC(C(=O)[O-])=Nc4ncnn43)ccc21 ZINC000101347811 209224212 /nfs/dbraw/zinc/22/42/12/209224212.db2.gz WEVNOECJPRVJEB-GOSISDBHSA-N -1 0 359.389 3.389 50 0 FGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000101168248 209222374 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Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccccc3)cc2)c1C ZINC000000636859 206819674 /nfs/dbraw/zinc/81/96/74/206819674.db2.gz CUFJHUAMOYBCPB-UHFFFAOYSA-N -1 0 371.418 3.345 50 0 FGAARM O=C([O-])/C=C/C(=O)Nc1ccc(Oc2ncnc3cc(Cl)ccc32)nc1 ZINC000001033968 206855650 /nfs/dbraw/zinc/85/56/50/206855650.db2.gz LWVDNUDCNQDWIX-GQCTYLIASA-N -1 0 370.752 3.050 50 0 FGAARM Cn1nc(-c2ccccc2)c(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)c1Cl ZINC000004072941 206999863 /nfs/dbraw/zinc/99/98/63/206999863.db2.gz YMJMPVARIFSETB-MRXNPFEDSA-N -1 0 369.808 3.296 50 0 FGAARM O=C([O-])CCCC(=O)N1CCc2c3ccccc3[nH]c2[C@@H]1C(F)(F)F ZINC000003983635 206996222 /nfs/dbraw/zinc/99/62/22/206996222.db2.gz ALQTUCGEOYCTIA-MRXNPFEDSA-N -1 0 354.328 3.411 50 0 FGAARM Cc1ccc(F)cc1N1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000004371639 207017628 /nfs/dbraw/zinc/01/76/28/207017628.db2.gz XXKGMGKCFGALCU-OAHLLOKOSA-N -1 0 359.378 3.257 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4cccc(Cl)c4)c=3c2=O)cc1 ZINC000004483607 207021308 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O=C([O-])CCCN1C(=O)c2cccc3c(Br)ccc(c32)C1=O ZINC000004952020 207064720 /nfs/dbraw/zinc/06/47/20/207064720.db2.gz LEFJIMIEVMCCRN-UHFFFAOYSA-N -1 0 362.179 3.063 50 0 FGAARM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccccc1)C[C@H](C)CC2 ZINC000005392687 207099005 /nfs/dbraw/zinc/09/90/05/207099005.db2.gz NLXDNVHFXMJWEE-LLVKDONJSA-N -1 0 365.476 3.460 50 0 FGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000006770585 207162586 /nfs/dbraw/zinc/16/25/86/207162586.db2.gz GXSYUCAVIJTOAW-IAGOWNOFSA-N -1 0 368.824 3.396 50 0 FGAARM O=C(Nc1ccccc1)c1cncc([N-]S(=O)(=O)c2ccc(F)cc2)c1 ZINC000009151973 207259578 /nfs/dbraw/zinc/25/95/78/207259578.db2.gz CEWGBQDTJFQWLQ-UHFFFAOYSA-N -1 0 371.393 3.274 50 0 FGAARM CC1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000010460746 207300398 /nfs/dbraw/zinc/30/03/98/207300398.db2.gz BKFVFIYSYPXDFW-ROUUACIJSA-N -1 0 372.465 3.388 50 0 FGAARM CCOc1ccc(NC(=S)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000010037804 207293093 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COc1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)cc2OC)c1 ZINC000021116737 494488332 /nfs/dbraw/zinc/48/83/32/494488332.db2.gz SAFZXRZUHFPVIL-UHFFFAOYSA-N -1 0 374.418 3.468 50 0 FGAARM CCC[C@]1(C(=O)[O-])CCC[N@H+](Cc2cn(CC)c3cnc(C(=O)[O-])cc23)C1 ZINC000091452616 494601359 /nfs/dbraw/zinc/60/13/59/494601359.db2.gz VZIHZMRDMVNICU-FQEVSTJZSA-N -1 0 373.453 3.221 50 0 FGAARM Cc1ccc(-c2c(-c3ccccc3)ncn2CCc2n[nH]c(=O)[n-]2)cc1F ZINC000067675394 494605875 /nfs/dbraw/zinc/60/58/75/494605875.db2.gz SEEOOCOHYVCFFZ-UHFFFAOYSA-N -1 0 363.396 3.319 50 0 FGAARM COc1cccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)C[C@H]2C(=O)[O-])c1 ZINC000091551233 494613771 /nfs/dbraw/zinc/61/37/71/494613771.db2.gz ZKQZFHMGBDCIEO-DLBZAZTESA-N -1 0 359.809 3.289 50 0 FGAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(C)cc(C)c2)n1 ZINC000075505064 494780793 /nfs/dbraw/zinc/78/07/93/494780793.db2.gz NCEYNWBVRXYQHK-UHFFFAOYSA-N -1 0 360.439 3.408 50 0 FGAARM Cc1cc(-c2cc(S(=O)(=O)[N-]c3ccc(F)c(F)c3)c(C)o2)n[nH]1 ZINC000075519141 494784163 /nfs/dbraw/zinc/78/41/63/494784163.db2.gz HDUKLXMJPMVAJV-UHFFFAOYSA-N -1 0 353.350 3.366 50 0 FGAARM Cc1ccc(C)c([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1 ZINC000026526955 494829107 /nfs/dbraw/zinc/82/91/07/494829107.db2.gz PNMPAZRNDQKSQF-UHFFFAOYSA-N -1 0 373.883 3.161 50 0 FGAARM Cn1c(=O)c([O-])c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2 ZINC000100509426 495065137 /nfs/dbraw/zinc/06/51/37/495065137.db2.gz LFVYIQWLDFNUDA-UHFFFAOYSA-N -1 0 356.175 3.218 50 0 FGAARM Cc1ccc(-n2nnnc2C=CNc2cc(Cl)ccc2C(=O)[O-])cc1 ZINC000137045935 495419737 /nfs/dbraw/zinc/41/97/37/495419737.db2.gz LYWYBOYREPWZCC-CMDGGOBGSA-N -1 0 355.785 3.405 50 0 FGAARM C[C@H](CCc1cccc(F)c1)C(=O)NCc1cccc(OCC(=O)[O-])c1 ZINC000170672668 495556132 /nfs/dbraw/zinc/55/61/32/495556132.db2.gz JPVHRTDHTRHZJB-CQSZACIVSA-N -1 0 359.397 3.174 50 0 FGAARM COC(=O)C[C@@H](c1c(=O)nc2ccc(Cl)cn2c1[O-])C1CCCCC1 ZINC000205967634 496973852 /nfs/dbraw/zinc/97/38/52/496973852.db2.gz KCCGWUVYJUGUFM-CYBMUJFWSA-N -1 0 364.829 3.281 50 0 FGAARM CC1(C)C[C@H](NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c2ccccc2O1 ZINC000220509951 497015067 /nfs/dbraw/zinc/01/50/67/497015067.db2.gz GEGDDMSTYKAVTD-KRWDZBQOSA-N -1 0 363.417 3.198 50 0 FGAARM Cc1noc2nc(C3CC3)cc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])c12 ZINC000265624511 497150380 /nfs/dbraw/zinc/15/03/80/497150380.db2.gz YSIBFAHCGCFLKX-WQVCFCJDSA-N -1 0 369.421 3.267 50 0 FGAARM C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C(=O)c1cnc(C(=O)[O-])cn1 ZINC000572157223 505903240 /nfs/dbraw/zinc/90/32/40/505903240.db2.gz JHMYKQLRIPBNNJ-VIFPVBQESA-N -1 0 353.300 3.027 50 0 FGAARM O=C([O-])C[C@H]1CCCN1C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 ZINC000263005741 497679237 /nfs/dbraw/zinc/67/92/37/497679237.db2.gz RPCYWJNKKWDDIA-CQSZACIVSA-N -1 0 362.813 3.393 50 0 FGAARM Cc1csc([C@H](NC(=O)c2s[n-]c(=O)c2Cl)C(F)(F)F)n1 ZINC000296046011 497903042 /nfs/dbraw/zinc/90/30/42/497903042.db2.gz XOFWACROGJYYCT-LURJTMIESA-N -1 0 357.766 3.300 50 0 FGAARM O=C([O-])[C@@]12CN(C(=O)c3ccncc3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000299765149 497917340 /nfs/dbraw/zinc/91/73/40/497917340.db2.gz XFRVRZDQGTVDAG-WFXMLNOXSA-N -1 0 350.418 3.192 50 0 FGAARM Cc1ccc2[nH]c(C3CCN(C(=O)[C@H]4CC[C@@H](C(=O)[O-])C4)CC3)nc2c1 ZINC000426581046 500291394 /nfs/dbraw/zinc/29/13/94/500291394.db2.gz VMCPUVAIJUKKBT-LSDHHAIUSA-N -1 0 355.438 3.078 50 0 FGAARM O=C(NCc1ccc(OC(F)F)c(F)c1)c1s[n-]c(=O)c1Cl ZINC000511311389 503298641 /nfs/dbraw/zinc/29/86/41/503298641.db2.gz YSNRPXLCTBFZSA-UHFFFAOYSA-N -1 0 352.721 3.173 50 0 FGAARM CCn1nc(C(C)C)cc1C(=O)N1C[C@@H](c2ccccc2C)[C@H](C(=O)[O-])C1 ZINC000091656431 523616162 /nfs/dbraw/zinc/61/61/62/523616162.db2.gz WUMSGTGPTJQGCM-DLBZAZTESA-N -1 0 369.465 3.275 50 0 FGAARM COC(OC)=C1N[C@@H](C(=O)[O-])c2ccccc2C(C)C1=Nc1ccncc1 ZINC000200041026 570768255 /nfs/dbraw/zinc/76/82/55/570768255.db2.gz OPVOHTZVLDKNJM-QGZVFWFLSA-N -1 0 367.405 3.116 50 0 FGAARM O=C([O-])[C@@H]1CCO[C@@H]1CNC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000723262432 571136655 /nfs/dbraw/zinc/13/66/55/571136655.db2.gz CLJYFLPWFCPFNJ-IEBWSBKVSA-N -1 0 367.401 3.015 50 0 FGAARM O=C([O-])C[C@H]1CN(S(=O)(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000169990586 571260424 /nfs/dbraw/zinc/26/04/24/571260424.db2.gz XKFKKHRAGBPIRQ-NSHDSACASA-N -1 0 351.811 3.107 50 0 FGAARM O=C([O-])c1ccc(C(=O)Nc2ccc(CCC(=O)N3CCCC3)cc2)cc1 ZINC000238046287 598154990 /nfs/dbraw/zinc/15/49/90/598154990.db2.gz XGTHHOBQUYSWEM-UHFFFAOYSA-N -1 0 366.417 3.192 50 0 FGAARM O=C([O-])c1ccc(C(=O)N2CCC(c3c[nH]c4cc(F)ccc43)CC2)nc1 ZINC000190627010 600270359 /nfs/dbraw/zinc/27/03/59/600270359.db2.gz CUWRXCSVQUUWFA-UHFFFAOYSA-N -1 0 367.380 3.420 50 0 FGAARM O=C([O-])[C@@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)c1ccccc1 ZINC000262543498 601081207 /nfs/dbraw/zinc/08/12/07/601081207.db2.gz VLAUFFIDTKTPRD-SFHVURJKSA-N -1 0 367.449 3.060 50 0 FGAARM CC(C)(C)OC(=O)Nc1cc(I)ccc1C(=O)[O-] ZINC000725376003 722421072 /nfs/dbraw/zinc/42/10/72/722421072.db2.gz TYQRHBWIWRDVER-UHFFFAOYSA-N -1 0 363.151 3.336 50 0 FGAARM Cc1ccc(/C=C/C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1Cl ZINC000237815916 222911663 /nfs/dbraw/zinc/91/16/63/222911663.db2.gz WWWPJZFHEFNDLA-SNAWJCMRSA-N -1 0 351.830 3.144 50 0 FGAARM CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl ZINC000063877778 212034906 /nfs/dbraw/zinc/03/49/06/212034906.db2.gz YWJHYXSDDNWRRX-UHFFFAOYSA-N -1 0 361.753 3.142 50 0 FGAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(C(F)(F)F)c2)c1 ZINC000058358159 212005860 /nfs/dbraw/zinc/00/58/60/212005860.db2.gz AHPRNYRPXCIEGK-UHFFFAOYSA-N -1 0 363.288 3.344 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)cc1C(=O)[O-] ZINC000013349184 220064761 /nfs/dbraw/zinc/06/47/61/220064761.db2.gz XYEYNXCLEAAJTQ-UHFFFAOYSA-N -1 0 357.334 3.095 50 0 FGAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000023125721 211377517 /nfs/dbraw/zinc/37/75/17/211377517.db2.gz ZRYINFCPTXLLGL-HZPDHXFCSA-N -1 0 370.796 3.155 50 0 FGAARM COc1ccc(NC(=O)Cc2c(C)[n-]n(-c3nc(C)c(C)s3)c2=O)cc1 ZINC000021802374 211325974 /nfs/dbraw/zinc/32/59/74/211325974.db2.gz PNLUHLWQYGSJOR-UHFFFAOYSA-N -1 0 372.450 3.149 50 0 FGAARM CN1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)[O-])C1 ZINC000020335395 211274451 /nfs/dbraw/zinc/27/44/51/211274451.db2.gz KBZCLUITKWTPOM-UHFFFAOYSA-N -1 0 350.827 3.340 50 0 FGAARM Cc1sc(NC(=O)CCCC(=O)[O-])c(C(=O)NC2CCCC2)c1C ZINC000017073065 211177858 /nfs/dbraw/zinc/17/78/58/211177858.db2.gz KJMUJHGWLYNNMZ-UHFFFAOYSA-N -1 0 352.456 3.231 50 0 FGAARM CCOc1ccccc1Nc1nnc(Cc2ccc(OC)cc2)c(=O)[n-]1 ZINC000016806816 211170677 /nfs/dbraw/zinc/17/06/77/211170677.db2.gz LJXIJKUKJLWTNH-UHFFFAOYSA-N -1 0 352.394 3.319 50 0 FGAARM CCCNC(=O)c1sc(-n2[n-]c(C)c(CCC(C)C)c2=O)nc1C ZINC000015671518 211135510 /nfs/dbraw/zinc/13/55/10/211135510.db2.gz PMNMMMAQUFCGOA-UHFFFAOYSA-N -1 0 350.488 3.380 50 0 FGAARM Cc1cc(O[C@H]2C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C2)ccc1Cl ZINC000014632490 211096922 /nfs/dbraw/zinc/09/69/22/211096922.db2.gz OVTOIUKUJTYOAB-JSGCOSHPSA-N -1 0 355.818 3.490 50 0 FGAARM COc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000013897128 211063206 /nfs/dbraw/zinc/06/32/06/211063206.db2.gz LICVOQNGMJLMNS-UHFFFAOYSA-N -1 0 364.810 3.174 50 0 FGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc(F)cc2Cl)cc1 ZINC000013187813 211027702 /nfs/dbraw/zinc/02/77/02/211027702.db2.gz DZGPGWCIKYLTSS-HNNXBMFYSA-N -1 0 351.761 3.434 50 0 FGAARM CC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1C ZINC000012526173 210965117 /nfs/dbraw/zinc/96/51/17/210965117.db2.gz JJBHIVCXBLQBDM-CYBMUJFWSA-N -1 0 364.442 3.463 50 0 FGAARM Cn1cc(/C=C2/CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)c2ccccc21 ZINC000009304696 210825732 /nfs/dbraw/zinc/82/57/32/210825732.db2.gz UTHWITDSYNULDK-UVTDQMKNSA-N -1 0 360.369 3.223 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)c1 ZINC000006770864 210699980 /nfs/dbraw/zinc/69/99/80/210699980.db2.gz SWXRTGXXIOUDOL-RTBURBONSA-N -1 0 362.433 3.414 50 0 FGAARM Cc1cc(C)nc(SCC(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)n1 ZINC000004769870 210562113 /nfs/dbraw/zinc/56/21/13/210562113.db2.gz NRAPGZYTSKAUPI-UHFFFAOYSA-N -1 0 351.815 3.176 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(Cl)cc4)c(=O)c2=3)c1 ZINC000004483453 210532779 /nfs/dbraw/zinc/53/27/79/210532779.db2.gz SNJORWPIOKDFQN-SJORKVTESA-N -1 0 368.824 3.450 50 0 FGAARM O=C([O-])[C@H](c1ccccc1)N1C(=O)c2ccc3c4c(ccc(c42)C1=O)CC3 ZINC000004491871 210532574 /nfs/dbraw/zinc/53/25/74/210532574.db2.gz CWPYJEKCAXUWCZ-IBGZPJMESA-N -1 0 357.365 3.360 50 0 FGAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cc(C)ccn2)c1=O ZINC000002270879 210389168 /nfs/dbraw/zinc/38/91/68/210389168.db2.gz VJPBOAFYVZSGQN-UHFFFAOYSA-N -1 0 351.406 3.463 50 0 FGAARM COc1ccc2[nH]c(C(=O)[O-])c(NS(=O)(=O)c3ccc(C)c(C)c3)c2c1 ZINC000002227812 210385214 /nfs/dbraw/zinc/38/52/14/210385214.db2.gz XATQEIWWLVOSSG-UHFFFAOYSA-N -1 0 374.418 3.292 50 0 FGAARM CSCC[C@H](Nc1nc(C)nc2sc3c(c21)CCCC3)C(=O)[O-] ZINC000001828592 210371692 /nfs/dbraw/zinc/37/16/92/210371692.db2.gz DGFVLMJUBYWLDJ-NSHDSACASA-N -1 0 351.497 3.497 50 0 FGAARM CCCc1ccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])cn2)c(OC)c1 ZINC000001046999 210307522 /nfs/dbraw/zinc/30/75/22/210307522.db2.gz IRIAMDOKUIEGPS-HUUCEWRRSA-N -1 0 370.405 3.494 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2c(C(C)C)nc3sc(C)nn32)cc1 ZINC000065183935 221176497 /nfs/dbraw/zinc/17/64/97/221176497.db2.gz OSGAETOKBQGGKM-UHFFFAOYSA-N -1 0 366.468 3.032 50 0 FGAARM Cc1nc2sc(C(C)C)nn2c1S(=O)(=O)[N-]c1ccccc1F ZINC000065183840 221176771 /nfs/dbraw/zinc/17/67/71/221176771.db2.gz AEIDDHLIGOQNMN-UHFFFAOYSA-N -1 0 354.432 3.163 50 0 FGAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccccc2C)o1 ZINC000065194078 221177654 /nfs/dbraw/zinc/17/76/54/221177654.db2.gz AEVJBHRIYFCRCZ-UHFFFAOYSA-N -1 0 360.439 3.110 50 0 FGAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2cccn3c2nnc3C2CCC2)cc1 ZINC000065228825 221182930 /nfs/dbraw/zinc/18/29/30/221182930.db2.gz LAKOROXPTVBOOM-UHFFFAOYSA-N -1 0 370.434 3.000 50 0 FGAARM O=S(=O)([N-]c1cc(-c2ccsc2)no1)c1cccc2nsnc21 ZINC000065153413 221173624 /nfs/dbraw/zinc/17/36/24/221173624.db2.gz OEYRADGZRLPUOE-UHFFFAOYSA-N -1 0 364.433 3.209 50 0 FGAARM Cc1nc(C(C)C)sc1C(=O)N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000067975798 221311466 /nfs/dbraw/zinc/31/14/66/221311466.db2.gz HGUIIERAYZXCFD-UHFFFAOYSA-N -1 0 362.480 3.145 50 0 FGAARM Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000068462755 221315186 /nfs/dbraw/zinc/31/51/86/221315186.db2.gz OHUHKFBKKLFNAR-IRXDYDNUSA-N -1 0 370.449 3.273 50 0 FGAARM CC1(C)[C@H](C(=O)Nc2cc(NC(=O)C3CCC3)ccc2Cl)[C@@H]1C(=O)[O-] ZINC000071285991 221340259 /nfs/dbraw/zinc/34/02/59/221340259.db2.gz LORPAHSQTIQCAL-UONOGXRCSA-N -1 0 364.829 3.374 50 0 FGAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccc3ncccc32)c1 ZINC000071776992 221374629 /nfs/dbraw/zinc/37/46/29/221374629.db2.gz CTZYNKPNYBOGDR-UHFFFAOYSA-N -1 0 370.430 3.287 50 0 FGAARM CC(=O)c1ccc(N2CCC(Oc3cc(C)ccc3F)(C(=O)[O-])CC2)nc1 ZINC000082115689 132195790 /nfs/dbraw/zinc/19/57/90/132195790.db2.gz ZOCRJQCMOBUTSW-UHFFFAOYSA-N -1 0 372.396 3.234 50 0 FGAARM CCCc1ccc(N2CCN(C(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])CC2)cc1 ZINC000001019571 132379526 /nfs/dbraw/zinc/37/95/26/132379526.db2.gz HLEWJSDGEZJKBF-RTBURBONSA-N -1 0 358.482 3.179 50 0 FGAARM Cc1ccccc1NC=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000002070789 132382491 /nfs/dbraw/zinc/38/24/91/132382491.db2.gz COXBYBLRDGVXPH-GXDHUFHOSA-N -1 0 355.781 3.227 50 0 FGAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)c1 ZINC000095385338 221890415 /nfs/dbraw/zinc/89/04/15/221890415.db2.gz TYGVTWDOQBBCKK-KRWDZBQOSA-N -1 0 367.401 3.176 50 0 FGAARM Cc1ccc(-c2nnc(CCC(=O)NC3(CC(=O)[O-])CCCCC3)o2)cc1 ZINC000095970269 221983158 /nfs/dbraw/zinc/98/31/58/221983158.db2.gz IRXSNXJUZYQPCF-UHFFFAOYSA-N -1 0 371.437 3.271 50 0 FGAARM COc1cccc(/C=C\c2nc3ccccc3c(=O)n2CCC(=O)[O-])c1 ZINC000097035253 222154267 /nfs/dbraw/zinc/15/42/67/222154267.db2.gz DEOKWBKGJHZGPJ-KTKRTIGZSA-N -1 0 350.374 3.050 50 0 FGAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)C(=O)Nc1cccc(C)c1Cl ZINC000100721679 222250002 /nfs/dbraw/zinc/25/00/02/222250002.db2.gz WZIDKKQFNVCAAB-HNNXBMFYSA-N -1 0 369.808 3.195 50 0 FGAARM COc1ccc(O[C@@H](C)C(=O)c2c(C)[n-]n(Cc3ccccc3)c2=O)cc1 ZINC000103614538 222339590 /nfs/dbraw/zinc/33/95/90/222339590.db2.gz UQFLXPFQLXCPRP-KXBFYZLASA-N -1 0 366.417 3.066 50 0 FGAARM O=C1[C@@H]2ON=C(c3ccc(F)cc3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000101359187 222271323 /nfs/dbraw/zinc/27/13/23/222271323.db2.gz WTNMLXGLDQOIAV-PKOBYXMFSA-N -1 0 360.344 3.271 50 0 FGAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)cc1 ZINC000101418561 222274203 /nfs/dbraw/zinc/27/42/03/222274203.db2.gz RCRANSMXDGNXJZ-JKSUJKDBSA-N -1 0 354.797 3.142 50 0 FGAARM CCCn1c(=O)c(C(=O)OCC)c([O-])c2cc(Br)ccc21 ZINC000101489838 222276912 /nfs/dbraw/zinc/27/69/12/222276912.db2.gz MHLWWHUFXNFRFR-UHFFFAOYSA-N -1 0 354.200 3.056 50 0 FGAARM Cc1cc(C)cc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)c1 ZINC000101970541 222288688 /nfs/dbraw/zinc/28/86/88/222288688.db2.gz CWSPEAJHAGJRQX-IRXDYDNUSA-N -1 0 352.369 3.249 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1C ZINC000102820634 222308403 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50 0 FGAARM CCc1cc(C(=O)Cc2nc3ccccc3s2)c(O)cc1OCC(=O)[O-] ZINC000002667123 493815127 /nfs/dbraw/zinc/81/51/27/493815127.db2.gz CQKCFHDCGITRJJ-UHFFFAOYSA-N -1 0 371.414 3.453 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccccc1I ZINC000002773325 493819177 /nfs/dbraw/zinc/81/91/77/493819177.db2.gz JJACPDDDRHZTPZ-ZJUUUORDSA-N -1 0 373.190 3.121 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3cccc(Cl)c3)n2)cc1 ZINC000002781991 493819612 /nfs/dbraw/zinc/81/96/12/493819612.db2.gz LDXXUIWDAGVSLH-UHFFFAOYSA-N -1 0 362.842 3.089 50 0 FGAARM C[C@H]1CCCC[C@H]1NC(=O)CCn1c(=O)c2sccc2[n-]c1=S ZINC000002932406 493825564 /nfs/dbraw/zinc/82/55/64/493825564.db2.gz MBQRRKZNBDQGIR-WDEREUQCSA-N -1 0 351.497 3.206 50 0 FGAARM Cc1c2cc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)ccc2oc1C(=O)[O-] ZINC000002944842 493826347 /nfs/dbraw/zinc/82/63/47/493826347.db2.gz NYSYYVATXNVNCP-GHMZBOCLSA-N -1 0 351.424 3.106 50 0 FGAARM COc1ccc(/C=C2\Sc3ccc(C(=O)[O-])cc3NC2=O)cc1OC ZINC000003030145 493829158 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CCOc1cc([C@@H]2N[C@H](C(=O)[O-])CS2)ccc1OC(=O)c1ccccc1 ZINC000004553701 493882708 /nfs/dbraw/zinc/88/27/08/493882708.db2.gz VMUSDXDBXCYWMS-WMLDXEAASA-N -1 0 373.430 3.093 50 0 FGAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000004614896 493884722 /nfs/dbraw/zinc/88/47/22/493884722.db2.gz KTZCBWJEZJUODT-NEPJUHHUSA-N -1 0 351.424 3.093 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 ZINC000005344944 493925954 /nfs/dbraw/zinc/92/59/54/493925954.db2.gz BXLFQAXETDZODY-UHFFFAOYSA-N -1 0 371.384 3.483 50 0 FGAARM CCOC(=O)c1cnc(SC)nc1Sc1ccccc1C(=O)[O-] ZINC000005474508 493932674 /nfs/dbraw/zinc/93/26/74/493932674.db2.gz FUIHDVCGHRSXQO-UHFFFAOYSA-N -1 0 350.421 3.225 50 0 FGAARM O=C(CSc1nnc(-c2ccccc2)c(=O)[n-]1)Nc1ccccc1Cl ZINC000005626418 493937338 /nfs/dbraw/zinc/93/73/38/493937338.db2.gz ONMRJYVINOZIJV-UHFFFAOYSA-N -1 0 372.837 3.216 50 0 FGAARM Cn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccccc1 ZINC000006315443 493958575 /nfs/dbraw/zinc/95/85/75/493958575.db2.gz 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Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1Cl ZINC000008104953 494068587 /nfs/dbraw/zinc/06/85/87/494068587.db2.gz QGCSIZIOSZDTGX-UHFFFAOYSA-N -1 0 353.827 3.466 50 0 FGAARM O=C([O-])CCc1ccc(S(=O)(=O)Nc2ccc(F)cc2Cl)cc1 ZINC000035287201 494072846 /nfs/dbraw/zinc/07/28/46/494072846.db2.gz QQUFTQIFWTUEIV-UHFFFAOYSA-N -1 0 357.790 3.297 50 0 FGAARM Cc1cccc2[nH]c(CNc3nccc(-c4cc(C(=O)[O-])ccn4)n3)nc21 ZINC000077459918 494088414 /nfs/dbraw/zinc/08/84/14/494088414.db2.gz GUVPXTMGNGDKLO-UHFFFAOYSA-N -1 0 360.377 3.034 50 0 FGAARM CSCC[C@@H](NC(=O)c1sc(-c2ccccc2)nc1C)C(=O)[O-] ZINC000036579929 494092540 /nfs/dbraw/zinc/09/25/40/494092540.db2.gz TZNYIFIZDOUNBL-GFCCVEGCSA-N -1 0 350.465 3.055 50 0 FGAARM O=C([O-])CNc1nc(Nc2ccc(F)cc2)nc(Nc2ccc(F)cc2)n1 ZINC000008569677 494097608 /nfs/dbraw/zinc/09/76/08/494097608.db2.gz JSTJDQXIKXBFSA-UHFFFAOYSA-N -1 0 372.335 3.134 50 0 FGAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccccc21 ZINC000071818157 494103873 /nfs/dbraw/zinc/10/38/73/494103873.db2.gz 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ZINC000012747080 494254482 /nfs/dbraw/zinc/25/44/82/494254482.db2.gz DWCFSAHBQCCARM-UHFFFAOYSA-N -1 0 367.352 3.276 50 0 FGAARM O=C([O-])c1sccc1S(=O)(=O)N[C@H]1CCSc2c(F)cccc21 ZINC000012821860 494263976 /nfs/dbraw/zinc/26/39/76/494263976.db2.gz UCHCOLZQBNOIIB-JTQLQIEISA-N -1 0 373.452 3.101 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000055150737 494307490 /nfs/dbraw/zinc/30/74/90/494307490.db2.gz IOWMAHLKRBIZPD-ROUUACIJSA-N -1 0 370.449 3.308 50 0 FGAARM COC(=O)c1cc([N-]S(=O)(=O)c2cc(C)ccc2F)ccc1Cl ZINC000055582995 494366751 /nfs/dbraw/zinc/36/67/51/494366751.db2.gz ANNCNRHOBJLXRI-UHFFFAOYSA-N -1 0 357.790 3.375 50 0 FGAARM Cc1c(Cl)cccc1S(=O)(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000078824108 494368807 /nfs/dbraw/zinc/36/88/07/494368807.db2.gz AKSLLIXCIHZAKD-LBPRGKRZSA-N -1 0 351.811 3.026 50 0 FGAARM CCOC(=O)c1cc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)c[nH]1 ZINC000078967455 494384841 /nfs/dbraw/zinc/38/48/41/494384841.db2.gz KUKLXPMLNMSPSC-UHFFFAOYSA-N -1 0 362.329 3.011 50 0 FGAARM CCC(=O)N1CCCc2ccc([N-]S(=O)(=O)c3cccs3)cc21 ZINC000017248026 494410576 /nfs/dbraw/zinc/41/05/76/494410576.db2.gz CNMAQTYECBWVPH-UHFFFAOYSA-N -1 0 350.465 3.238 50 0 FGAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(-c3noc(C4CC4)n3)cc2)C1 ZINC000091645491 494636371 /nfs/dbraw/zinc/63/63/71/494636371.db2.gz WJBQRKOCTZTNSZ-FQEVSTJZSA-N -1 0 369.421 3.331 50 0 FGAARM Cc1ccsc1CN(C)c1ccc(S(=O)(=O)[N-]c2ccccn2)cn1 ZINC000024528469 494638049 /nfs/dbraw/zinc/63/80/49/494638049.db2.gz ZXLXDMDUDIXIRJ-UHFFFAOYSA-N -1 0 374.491 3.284 50 0 FGAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2cc(F)ccc2C)o1 ZINC000075504960 494781445 /nfs/dbraw/zinc/78/14/45/494781445.db2.gz IIDYCDHZLUHLGT-UHFFFAOYSA-N -1 0 364.402 3.238 50 0 FGAARM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)c2C)o1 ZINC000075504791 494781539 /nfs/dbraw/zinc/78/15/39/494781539.db2.gz JDTGZASPURHGHB-UHFFFAOYSA-N -1 0 364.402 3.238 50 0 FGAARM CCc1c(C)nn(CC(=O)N2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)c1C ZINC000095362220 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CN(C(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1)c1ccccc1 ZINC000071285661 221339239 /nfs/dbraw/zinc/33/92/39/221339239.db2.gz MXIDJZIFCPSKSM-IRXDYDNUSA-N -1 0 366.417 3.259 50 0 FGAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc(C)nc2c(C)c(C)ccc12)C(=O)[O-] ZINC000071777304 221375325 /nfs/dbraw/zinc/37/53/25/221375325.db2.gz OGNDWDUHFMUKAV-SFHVURJKSA-N -1 0 366.421 3.056 50 0 FGAARM CCCOc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1OCCC ZINC000072414223 221504682 /nfs/dbraw/zinc/50/46/82/221504682.db2.gz NIVRULFESHRZQY-UHFFFAOYSA-N -1 0 350.440 3.460 50 0 FGAARM COc1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCCCC1=O ZINC000005329941 132257160 /nfs/dbraw/zinc/25/71/60/132257160.db2.gz IBGPLXQKOKJILR-UHFFFAOYSA-N -1 0 366.464 3.074 50 0 FGAARM Cc1ccc(S(=O)(=O)N2CCCc3cc(F)cc(F)c32)cc1C(=O)[O-] ZINC000040082754 136119232 /nfs/dbraw/zinc/11/92/32/136119232.db2.gz NVUYYFCHQGOTJX-UHFFFAOYSA-N -1 0 367.373 3.113 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCCc2cc(F)cc(F)c21 ZINC000058356927 136131579 /nfs/dbraw/zinc/13/15/79/136131579.db2.gz GCJVGTJFXXUEGF-UHFFFAOYSA-N -1 0 367.373 3.113 50 0 FGAARM COc1cccc(C[C@@]2(C(=O)[O-])CCCN(c3nc(C)cnc3C)C2)c1 ZINC000071745287 136139863 /nfs/dbraw/zinc/13/98/63/136139863.db2.gz FUVMBJIVINPEKL-FQEVSTJZSA-N -1 0 355.438 3.016 50 0 FGAARM O=C([O-])c1ccccc1-n1nc(C2CCCC2)nc1COC[C@@H]1CCCO1 ZINC000096131142 222036361 /nfs/dbraw/zinc/03/63/61/222036361.db2.gz OIGSVXRAWWJKCC-HNNXBMFYSA-N -1 0 371.437 3.319 50 0 FGAARM O=C([O-])CCCN1C(=O)/C(=C\c2csc(C3CC3)n2)SC1=S ZINC000096291611 222111498 /nfs/dbraw/zinc/11/14/98/222111498.db2.gz GIQKKYOLWZFYQQ-UXBLZVDNSA-N -1 0 354.478 3.087 50 0 FGAARM Cc1cc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])sc1-c1ccccc1 ZINC000096138484 222042379 /nfs/dbraw/zinc/04/23/79/222042379.db2.gz UPTMJIIGNINDPJ-HNNXBMFYSA-N -1 0 367.430 3.098 50 0 FGAARM O=C([O-])[C@@H]1CN(S(=O)(=O)/C=C\c2ccc(Cl)cc2)c2ccccc21 ZINC000098012562 222221776 /nfs/dbraw/zinc/22/17/76/222221776.db2.gz KEIYXFIKPSXPON-FJVVXJACSA-N -1 0 363.822 3.329 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1C/C=C/CCCC(=O)[O-] ZINC000100349944 222241958 /nfs/dbraw/zinc/24/19/58/222241958.db2.gz XEYBRNLFEZDVAW-SEEPFVBVSA-N -1 0 352.471 3.251 50 0 FGAARM CCc1ccccc1NC(=O)Cc1c(C)[n-]n(-c2nc(C)cs2)c1=O ZINC000101831060 222285886 /nfs/dbraw/zinc/28/58/86/222285886.db2.gz ZLTNMWZPNKXSPW-UHFFFAOYSA-N -1 0 356.451 3.395 50 0 FGAARM Cc1csc(-n2[n-]c(C)c(CC(=O)Nc3ccc(C)cc3C)c2=O)n1 ZINC000101831040 222286196 /nfs/dbraw/zinc/28/61/96/222286196.db2.gz KXFTZRWIIWYCQD-UHFFFAOYSA-N -1 0 356.451 3.449 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]4CCCC[C@@H]43)cc2[n-]c1=S ZINC000102758523 222307786 /nfs/dbraw/zinc/30/77/86/222307786.db2.gz NHILWDMWJLRWPC-DYVFJYSZSA-N -1 0 371.506 3.500 50 0 FGAARM COc1cc(CNC(=O)c2ccc(Br)s2)ccc1C(=O)[O-] ZINC000153694306 222549855 /nfs/dbraw/zinc/54/98/55/222549855.db2.gz FFXNTFFTTKORCB-UHFFFAOYSA-N -1 0 370.224 3.147 50 0 FGAARM C[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)c2sccc2[n-]c1=S ZINC000002932411 493825346 /nfs/dbraw/zinc/82/53/46/493825346.db2.gz MBQRRKZNBDQGIR-MNOVXSKESA-N -1 0 351.497 3.206 50 0 FGAARM O=C(COc1ccc(Cl)cc1Br)[N-]O[C@H]1CCCCO1 ZINC000058168534 493828948 /nfs/dbraw/zinc/82/89/48/493828948.db2.gz QZNADLBBACVZNX-ZDUSSCGKSA-N -1 0 364.623 3.056 50 0 FGAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Sc2nncs2)cc1 ZINC000058173066 493830639 /nfs/dbraw/zinc/83/06/39/493830639.db2.gz PBMHSJLDNNMRGA-UHFFFAOYSA-N -1 0 368.465 3.095 50 0 FGAARM O=C([O-])c1cccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)c1 ZINC000003296595 493837143 /nfs/dbraw/zinc/83/71/43/493837143.db2.gz VCMZMJVAZJSIKQ-UHFFFAOYSA-N -1 0 359.447 3.028 50 0 FGAARM O=C([O-])CCN(Cc1ccccc1)S(=O)(=O)c1ccccc1Cl ZINC000003327969 493839146 /nfs/dbraw/zinc/83/91/46/493839146.db2.gz IKPUNQUHOKQUQZ-UHFFFAOYSA-N -1 0 353.827 3.006 50 0 FGAARM Cc1ccc([N-]S(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)cc1Cl ZINC000029434944 493839683 /nfs/dbraw/zinc/83/96/83/493839683.db2.gz GHCWUCSNINWWSA-UHFFFAOYSA-N -1 0 367.858 3.013 50 0 FGAARM Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CSCC(=O)[O-])n1 ZINC000003363381 493840971 /nfs/dbraw/zinc/84/09/71/493840971.db2.gz XHJVBQVXHIAWRW-UHFFFAOYSA-N -1 0 361.448 3.356 50 0 FGAARM CCCOc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)OCO3)cc1 ZINC000003623712 493856621 /nfs/dbraw/zinc/85/66/21/493856621.db2.gz JGVXLMNKLLXCII-INIZCTEOSA-N -1 0 371.389 3.150 50 0 biogenic,in-vitro FGAARM CCOc1cc([C@H]2N[C@H](C(=O)[O-])CS2)ccc1OCc1ccccc1 ZINC000003642585 493856765 /nfs/dbraw/zinc/85/67/65/493856765.db2.gz AOKUDPROPXNSLK-YJBOKZPZSA-N -1 0 359.447 3.453 50 0 FGAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004136095 493866394 /nfs/dbraw/zinc/86/63/94/493866394.db2.gz IIFQMULVPXMHCV-SJAGGWKPSA-N -1 0 366.461 3.496 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)NCCc1csc(-c2ccccc2)n1 ZINC000004167007 493867031 /nfs/dbraw/zinc/86/70/31/493867031.db2.gz YIZWACHEPUOPQO-JKSUJKDBSA-N -1 0 358.463 3.360 50 0 FGAARM O=C([O-])c1cccc(NC(=O)c2ccccc2I)c1 ZINC000004201474 493869464 /nfs/dbraw/zinc/86/94/64/493869464.db2.gz QSKKCYPTWSCMFL-UHFFFAOYSA-N -1 0 367.142 3.242 50 0 FGAARM O=C([O-])Cc1csc(NC(=O)CSc2nc3ccccc3s2)n1 ZINC000004343592 493874100 /nfs/dbraw/zinc/87/41/00/493874100.db2.gz IMRSWAXMEIDMCL-UHFFFAOYSA-N -1 0 365.461 3.111 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000030521483 493894310 /nfs/dbraw/zinc/89/43/10/493894310.db2.gz DVAVBGXWOXBSST-MSOLQXFVSA-N -1 0 352.390 3.266 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000004978112 493904952 /nfs/dbraw/zinc/90/49/52/493904952.db2.gz WCRTYYFEKHPBIQ-KBPBESRZSA-N -1 0 373.434 3.225 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000004978114 493904977 /nfs/dbraw/zinc/90/49/77/493904977.db2.gz WCRTYYFEKHPBIQ-UONOGXRCSA-N -1 0 373.434 3.225 50 0 FGAARM Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)c(Cl)c1 ZINC000005134228 493915807 /nfs/dbraw/zinc/91/58/07/493915807.db2.gz FQINAZWEPCADMB-UHFFFAOYSA-N -1 0 353.827 3.466 50 0 FGAARM O=c1oc2cc(OCc3nnn[n-]3)ccc2cc1-c1ccc(Cl)cc1 ZINC000006225320 493955337 /nfs/dbraw/zinc/95/53/37/493955337.db2.gz LFHNLGLENDIBGO-UHFFFAOYSA-N -1 0 354.753 3.206 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCOC3=O)c2)c(Cl)c1 ZINC000031719924 493957267 /nfs/dbraw/zinc/95/72/67/493957267.db2.gz VFOUIBFAPPEMFF-UHFFFAOYSA-N -1 0 366.826 3.406 50 0 FGAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC2 ZINC000006315363 493958089 /nfs/dbraw/zinc/95/80/89/493958089.db2.gz GNXDBSZXPKOICV-UHFFFAOYSA-N -1 0 374.462 3.333 50 0 FGAARM Cc1ccc(CN2CCN(C(=O)[C@@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000006698231 493975370 /nfs/dbraw/zinc/97/53/70/493975370.db2.gz TVARGBLXSPRTEH-UXHICEINSA-N -1 0 370.493 3.086 50 0 FGAARM C[C@H]1CCCN(C(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)C1 ZINC000006784532 493980103 /nfs/dbraw/zinc/98/01/03/493980103.db2.gz BABVOYVNPHLJJO-ZDUSSCGKSA-N -1 0 364.492 3.421 50 0 FGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000006887602 493985447 /nfs/dbraw/zinc/98/54/47/493985447.db2.gz GRLYKFWPJFKQCH-UHFFFAOYSA-N -1 0 364.467 3.236 50 0 FGAARM COc1cccc([N-]S(=O)(=O)c2cc(-c3cc(C)no3)ccc2OC)c1 ZINC000006887657 493985470 /nfs/dbraw/zinc/98/54/70/493985470.db2.gz VKWNQNOSFQJNFJ-UHFFFAOYSA-N -1 0 374.418 3.468 50 0 FGAARM Cc1cc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)ccc1Br ZINC000007056257 493998407 /nfs/dbraw/zinc/99/84/07/493998407.db2.gz NOBQTVWOWIBUND-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)oc2C)c(OC)c1 ZINC000032971245 494033718 /nfs/dbraw/zinc/03/37/18/494033718.db2.gz GBSLWENOPZTZCN-UHFFFAOYSA-N -1 0 364.379 3.061 50 0 FGAARM O=C1CCCN1c1cccc([N-]S(=O)(=O)c2ccc(Cl)cc2F)c1 ZINC000007726753 494038513 /nfs/dbraw/zinc/03/85/13/494038513.db2.gz JKUZRDJPECHXFT-UHFFFAOYSA-N -1 0 368.817 3.407 50 0 FGAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccccc2C)cc1C(=O)[O-] ZINC000033253652 494054586 /nfs/dbraw/zinc/05/45/86/494054586.db2.gz QMXXJCHCJZYKCJ-UHFFFAOYSA-N -1 0 362.451 3.340 50 0 FGAARM O=C([O-])[C@@H]1C[C@@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000008076643 494065359 /nfs/dbraw/zinc/06/53/59/494065359.db2.gz CJEQUGHYFSTTQT-XIKOKIGWSA-N -1 0 355.365 3.433 50 0 FGAARM CN(C)c1ccc(NC(=O)c2ccc(Br)cc2)c(C(=O)[O-])c1 ZINC000035482649 494077805 /nfs/dbraw/zinc/07/78/05/494077805.db2.gz FGOLLYFWIRCEQE-UHFFFAOYSA-N -1 0 363.211 3.466 50 0 FGAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000084579082 494084950 /nfs/dbraw/zinc/08/49/50/494084950.db2.gz FSCDQFFDCVHISK-ZDUSSCGKSA-N -1 0 371.336 3.083 50 0 FGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1nc2ccccc2s1 ZINC000008484754 494093556 /nfs/dbraw/zinc/09/35/56/494093556.db2.gz GAJFIFKQEGAIQQ-UHFFFAOYSA-N -1 0 362.432 3.025 50 0 FGAARM CCn1nc([N-]S(=O)(=O)c2ccccc2)c2cc3ccccc3nc21 ZINC000009320810 494120802 /nfs/dbraw/zinc/12/08/02/494120802.db2.gz IVAOCRBEKFDVQK-UHFFFAOYSA-N -1 0 352.419 3.405 50 0 FGAARM Cc1cnc(NC(=O)Cc2c(C)c3cc(Cl)c([O-])cc3oc2=O)s1 ZINC000009340620 494121027 /nfs/dbraw/zinc/12/10/27/494121027.db2.gz BASNAAIIOWIDNL-UHFFFAOYSA-N -1 0 364.810 3.407 50 0 FGAARM O=c1[n-]c(CCn2ccnc2-c2ccc(-c3ccccc3Cl)o2)n[nH]1 ZINC000072168973 494141756 /nfs/dbraw/zinc/14/17/56/494141756.db2.gz FVQWPXLLCDDNLN-UHFFFAOYSA-N -1 0 355.785 3.118 50 0 FGAARM COc1ccc(Oc2ccc(NC(=O)c3nccnc3C(=O)[O-])cc2)cc1 ZINC000072401233 494163738 /nfs/dbraw/zinc/16/37/38/494163738.db2.gz TVRROVYKHKXYFX-UHFFFAOYSA-N -1 0 365.345 3.228 50 0 FGAARM CCOc1ccc(-c2ccnc(NCC3CCOCC3)n2)cc1C(=O)[O-] ZINC000072425894 494171433 /nfs/dbraw/zinc/17/14/33/494171433.db2.gz CQTCLONOKDQLAH-UHFFFAOYSA-N -1 0 357.410 3.079 50 0 FGAARM O=C([O-])CCSCC(=O)N[C@@H](c1cccs1)c1ccc(F)cc1 ZINC000012784179 494258888 /nfs/dbraw/zinc/25/88/88/494258888.db2.gz OHILIUJNSHAIOO-MRXNPFEDSA-N -1 0 353.440 3.301 50 0 FGAARM CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000013171181 494280128 /nfs/dbraw/zinc/28/01/28/494280128.db2.gz IXVFTJJNRXOZBY-LLVKDONJSA-N -1 0 355.818 3.074 50 0 FGAARM CC(C)[C@@H](NC(=O)CC1(C(=O)[O-])Cc2ccccc2C1)c1ccncc1 ZINC000072998285 494302205 /nfs/dbraw/zinc/30/22/05/494302205.db2.gz MNZMVQZOFHCUSL-LJQANCHMSA-N -1 0 352.434 3.155 50 0 FGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccccc3Cl)c1)CCC2 ZINC000055547380 494358831 /nfs/dbraw/zinc/35/88/31/494358831.db2.gz RFPBKWOKOKPQRE-UHFFFAOYSA-N -1 0 351.811 3.328 50 0 FGAARM COc1cc(C)c(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cc1C ZINC000055612180 494372651 /nfs/dbraw/zinc/37/26/51/494372651.db2.gz DFELCFQBDDERSM-UHFFFAOYSA-N -1 0 371.361 3.089 50 0 FGAARM O=C([O-])c1cnn(-c2ccc(Br)cc2F)c1-n1cccc1 ZINC000044893768 494386062 /nfs/dbraw/zinc/38/60/62/494386062.db2.gz SKKDDAVRLMTWBC-UHFFFAOYSA-N -1 0 350.147 3.263 50 0 FGAARM O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000055738571 494398637 /nfs/dbraw/zinc/39/86/37/494398637.db2.gz NNSUPSSMRZTIRU-CQSZACIVSA-N -1 0 371.849 3.283 50 0 FGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2C ZINC000017010235 494405521 /nfs/dbraw/zinc/40/55/21/494405521.db2.gz ULCZMUCXCJLIET-UHFFFAOYSA-N -1 0 374.462 3.022 50 0 FGAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])c3ccccc3C(=O)N2C(C)C)cc1OC ZINC000045922989 494475828 /nfs/dbraw/zinc/47/58/28/494475828.db2.gz WCFVXTCAZLQFLA-OALUTQOASA-N -1 0 369.417 3.478 50 0 FGAARM Cc1cc(S(=O)(=O)[N-]c2cccc(-c3nnc4n3CCC4)c2)c(C)s1 ZINC000024426743 494626755 /nfs/dbraw/zinc/62/67/55/494626755.db2.gz RYGYTQAZIWJHCM-UHFFFAOYSA-N -1 0 374.491 3.370 50 0 FGAARM Cc1ccc(C)c(N2N=C(C(=O)[N-]OCc3ccccc3)CCC2=O)c1 ZINC000025036401 494691903 /nfs/dbraw/zinc/69/19/03/494691903.db2.gz NVHDYYIMXSIBDJ-UHFFFAOYSA-N -1 0 351.406 3.034 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)c(C)c1 ZINC000075519188 494783438 /nfs/dbraw/zinc/78/34/38/494783438.db2.gz VXFXHGFFMFUEFA-UHFFFAOYSA-N -1 0 361.423 3.404 50 0 FGAARM O=C([O-])[C@H](c1cc2ccccc2o1)N1CCN(Cc2ccsc2)CC1 ZINC000095366742 494965377 /nfs/dbraw/zinc/96/53/77/494965377.db2.gz LBXGUEZFLOHPCN-SFHVURJKSA-N -1 0 356.447 3.438 50 0 FGAARM Cc1ccc(-c2noc(CCC(=O)N[C@@H]3CCCCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000095424967 494974979 /nfs/dbraw/zinc/97/49/79/494974979.db2.gz XEKAHBGLSUGHJR-JKSUJKDBSA-N -1 0 371.437 3.127 50 0 FGAARM Cc1c(Cl)cccc1S(=O)(=O)N(C)c1cccc(CCC(=O)[O-])c1 ZINC000095464676 494978076 /nfs/dbraw/zinc/97/80/76/494978076.db2.gz FSZQUYDQGGLFAE-UHFFFAOYSA-N -1 0 367.854 3.491 50 0 FGAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(-c2ccccc2Cl)o1 ZINC000095506625 494982630 /nfs/dbraw/zinc/98/26/30/494982630.db2.gz GVVPIGJDTGSLGD-INIZCTEOSA-N -1 0 357.797 3.335 50 0 FGAARM O=C([O-])[C@@H](NC(=O)c1ccc2cccc(F)c2n1)c1cccc(F)c1F ZINC000095513309 494984466 /nfs/dbraw/zinc/98/44/66/494984466.db2.gz ZQIBCSFSESIXFR-INIZCTEOSA-N -1 0 360.291 3.208 50 0 FGAARM Cn1cc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC000095939643 494990806 /nfs/dbraw/zinc/99/08/06/494990806.db2.gz GWMLRZHCPZAICC-UHFFFAOYSA-N -1 0 373.278 3.259 50 0 FGAARM O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)/C=C/c1ccccc1Cl ZINC000133705727 495049489 /nfs/dbraw/zinc/04/94/89/495049489.db2.gz NOFPCBQWNWGTHE-ZNFPLGDCSA-N -1 0 363.822 3.156 50 0 FGAARM O=C(CSc1n[n-]c(=S)s1)NCC1C2CC3CC(C2)CC1C3 ZINC000135112355 495251920 /nfs/dbraw/zinc/25/19/20/495251920.db2.gz YQKWMVLYFYKRQE-UHFFFAOYSA-N -1 0 355.554 3.107 50 0 FGAARM O=C(c1nn(-c2ccccc2F)cc1[O-])N1CC[C@H](c2ccccc2)C1 ZINC000104872957 495312082 /nfs/dbraw/zinc/31/20/82/495312082.db2.gz INKGYUJHNLOIGD-HNNXBMFYSA-N -1 0 351.381 3.347 50 0 FGAARM Cc1ccccc1OCC(=O)N[C@H](CC(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000170592126 495530726 /nfs/dbraw/zinc/53/07/26/495530726.db2.gz MDQLUJIQZOHVKS-OAHLLOKOSA-N -1 0 365.788 3.499 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2cn(Cc3ccccc3)nn2)cc1Cl ZINC000170601698 495532432 /nfs/dbraw/zinc/53/24/32/495532432.db2.gz FTCXECQOLKOBJZ-UHFFFAOYSA-N -1 0 362.842 3.089 50 0 FGAARM O=C(Nc1ccc2[n-]c(=S)oc2c1)[C@H]1CCCC[C@H]1C(=O)N1CCCC1 ZINC000160753122 496036158 /nfs/dbraw/zinc/03/61/58/496036158.db2.gz IIMAIVDVAXWGEH-UONOGXRCSA-N -1 0 373.478 3.484 50 0 FGAARM 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O=C([O-])CCN(C(=O)/C=C\c1cc(Cl)ccc1Cl)C1CCOCC1 ZINC000606441650 507405626 /nfs/dbraw/zinc/40/56/26/507405626.db2.gz ITPMMWWXLQDMDU-RJRFIUFISA-N -1 0 372.248 3.489 50 0 FGAARM C[C@](COc1ccccc1)(NC(=O)/C=C\c1cc2ccccc2o1)C(=O)[O-] ZINC000606443630 507406073 /nfs/dbraw/zinc/40/60/73/507406073.db2.gz SFDWOVMWPNGVFV-AXUYNXDZSA-N -1 0 365.385 3.485 50 0 FGAARM Cc1nn2c(nc1=O)-c1ccccc1N[C@@H]2[C@H]1CC[C@](C)(C(=O)[O-])C1(C)C ZINC000585157909 507580493 /nfs/dbraw/zinc/58/04/93/507580493.db2.gz KSYJDAIADGWMSO-JOTOCRJQSA-N -1 0 368.437 3.065 50 0 FGAARM Cc1n[n-]c(=NC(=O)N2CC(Cc3ccccc3Br)C2)s1 ZINC000626212646 522019850 /nfs/dbraw/zinc/01/98/50/522019850.db2.gz POHOIKSTHPOBCT-UHFFFAOYSA-N -1 0 367.272 3.315 50 0 FGAARM COC(=O)c1[n-]c(=NC(=O)CCCc2cn(C)c3ccccc23)sc1C ZINC000079479873 524020418 /nfs/dbraw/zinc/02/04/18/524020418.db2.gz NGPAVRGRHKRYFT-UHFFFAOYSA-N -1 0 371.462 3.113 50 0 FGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)C1 ZINC000262155288 525233011 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FGAARM O=C([N-]c1nnc(-c2ccc(Br)s2)s1)c1csnn1 ZINC000334162346 210162797 /nfs/dbraw/zinc/16/27/97/210162797.db2.gz MRFKQKUNRCYKDU-UHFFFAOYSA-N -1 0 374.270 3.133 50 0 FGAARM O=C(CCC1CCCCC1)Nc1nc2c(s1)C(=O)C[C@H](C(=O)[O-])C2 ZINC000299759982 210011186 /nfs/dbraw/zinc/01/11/86/210011186.db2.gz SDILBIGNOAZGPI-LLVKDONJSA-N -1 0 350.440 3.272 50 0 FGAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238104228 222913504 /nfs/dbraw/zinc/91/35/04/222913504.db2.gz AJTZUPNFPJGTOY-QWHCGFSZSA-N -1 0 372.248 3.189 50 0 FGAARM CCCOc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)ccc1Cl ZINC000252479542 222967505 /nfs/dbraw/zinc/96/75/05/222967505.db2.gz BHHAKOYYKDMTEC-UHFFFAOYSA-N -1 0 368.842 3.029 50 0 FGAARM Cc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000012532668 220003906 /nfs/dbraw/zinc/00/39/06/220003906.db2.gz CHZOKUBPOXSNCS-UHFFFAOYSA-N -1 0 370.224 3.257 50 0 FGAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc2cc(C)cnc21 ZINC000012544892 220005962 /nfs/dbraw/zinc/00/59/62/220005962.db2.gz 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ZINC000002975990 132253752 /nfs/dbraw/zinc/25/37/52/132253752.db2.gz SNBXYEMNZPOKIX-UHFFFAOYSA-N -1 0 367.474 3.138 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2cccc(N3CCCCC3=O)c2)s1 ZINC000005330062 132257434 /nfs/dbraw/zinc/25/74/34/132257434.db2.gz PEXWAUGUMYMZIK-UHFFFAOYSA-N -1 0 350.465 3.374 50 0 FGAARM O=C([O-])C1(C[C@H]2CCCCO2)CCN(c2ncnc3ccsc32)CC1 ZINC000071750795 136140105 /nfs/dbraw/zinc/14/01/05/136140105.db2.gz MUEWPZBTJSXMQR-CYBMUJFWSA-N -1 0 361.467 3.322 50 0 FGAARM CN(C)c1ccccc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095360338 221860630 /nfs/dbraw/zinc/86/06/30/221860630.db2.gz GBSGHHYIFZHZCT-QGZVFWFLSA-N -1 0 352.434 3.471 50 0 FGAARM Cc1nn(C)c(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)c1Cl ZINC000095374351 221877318 /nfs/dbraw/zinc/87/73/18/221877318.db2.gz PLBPCMFXSOSXFI-CQSZACIVSA-N -1 0 361.829 3.100 50 0 FGAARM O=C([O-])[C@H](NC(=O)c1cccc(Cn2cccn2)c1)c1ccccc1Cl ZINC000095388350 221893744 /nfs/dbraw/zinc/89/37/44/221893744.db2.gz CHDGFKNHWGZXHM-QGZVFWFLSA-N -1 0 369.808 3.141 50 0 FGAARM O=C([O-])C1(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)Cc2ccccc2C1 ZINC000095969962 221983888 /nfs/dbraw/zinc/98/38/88/221983888.db2.gz WAUIURJRMOZKKZ-UHFFFAOYSA-N -1 0 374.440 3.399 50 0 FGAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(Cl)c4)c(=O)c2=3)c1 ZINC000096236013 222093772 /nfs/dbraw/zinc/09/37/72/222093772.db2.gz ZRYINFCPTXLLGL-JKSUJKDBSA-N -1 0 370.796 3.155 50 0 FGAARM CCn1c(=O)c(C(=O)NCc2ccccc2Cl)c([O-])c2ccccc21 ZINC000100512479 222246049 /nfs/dbraw/zinc/24/60/49/222246049.db2.gz ODRJXPJTNPWOLI-UHFFFAOYSA-N -1 0 356.809 3.310 50 0 FGAARM CCCn1c(=O)c(C(=O)NCc2cccc(F)c2)c([O-])c2ccccc21 ZINC000100521817 222246194 /nfs/dbraw/zinc/24/61/94/222246194.db2.gz OJDTXCHRVHWNMV-UHFFFAOYSA-N -1 0 354.381 3.186 50 0 FGAARM O=C(NCc1cccc(Cl)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100921520 222257309 /nfs/dbraw/zinc/25/73/09/222257309.db2.gz IRDTZGBPSDYENM-UHFFFAOYSA-N -1 0 368.820 3.237 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N[C@H]3CCc4ccccc43)cc2[n-]c1=S ZINC000102262593 222292647 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FGAARM O=C(c1cnc2c(c1)c(-c1ccccc1)nn2CCO)c1ccccc1[O-] ZINC000003335798 493839291 /nfs/dbraw/zinc/83/92/91/493839291.db2.gz PJUKUYBHYKEGCO-UHFFFAOYSA-N -1 0 359.385 3.027 50 0 FGAARM CCOc1ccccc1NC(=O)c1c([O-])c2sccc2n(CC)c1=O ZINC000049409532 493873683 /nfs/dbraw/zinc/87/36/83/493873683.db2.gz JIAKGAPPACFYCY-UHFFFAOYSA-N -1 0 358.419 3.440 50 0 FGAARM C=CCCN1C(=O)NC(=Cc2c(C)[n-]n(-c3cccc(Cl)c3)c2=O)C1=O ZINC000004356135 493874642 /nfs/dbraw/zinc/87/46/42/493874642.db2.gz GFBKBQQZLCPZFF-GDNBJRDFSA-N -1 0 372.812 3.009 50 0 FGAARM O=C([O-])c1cn(-c2cccc(F)c2)c2c1NC(=O)C[C@@H]2c1cccnc1 ZINC000049547840 493875993 /nfs/dbraw/zinc/87/59/93/493875993.db2.gz HHUVNQCMXGHEBC-CQSZACIVSA-N -1 0 351.337 3.184 50 0 FGAARM CCc1ccc([C@@H]2[C@@H](C(=O)[O-])c3cc(OC)c(OC)cc3C(=O)N2C)cc1 ZINC000004563592 493882653 /nfs/dbraw/zinc/88/26/53/493882653.db2.gz VDRQEGUIDDYMLK-RBUKOAKNSA-N -1 0 369.417 3.261 50 0 FGAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000004614890 493884518 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CRCCHCRGZWTVNX-UHFFFAOYSA-N -1 0 358.463 3.068 50 0 FGAARM COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(C(=O)[O-])c1OC ZINC000007113155 494001967 /nfs/dbraw/zinc/00/19/67/494001967.db2.gz QXSOQJSYNSDFNY-GOSISDBHSA-N -1 0 368.389 3.131 50 0 FGAARM Cc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)c(=O)[n-]2)cc1Cl ZINC000034767795 494068034 /nfs/dbraw/zinc/06/80/34/494068034.db2.gz JSZYOYPGQZEYOO-UHFFFAOYSA-N -1 0 374.872 3.397 50 0 FGAARM C[C@@H](CNc1nccc(-c2cc(C(=O)[O-])ccn2)n1)N(C)c1ccccc1 ZINC000077424760 494080931 /nfs/dbraw/zinc/08/09/31/494080931.db2.gz RVNSNZDRHKDEGI-AWEZNQCLSA-N -1 0 363.421 3.174 50 0 FGAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@H](C)C(=O)[O-] ZINC000036575984 494092145 /nfs/dbraw/zinc/09/21/45/494092145.db2.gz LMWJGUBWVQZBFY-MRVPVSSYSA-N -1 0 374.340 3.220 50 0 FGAARM COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)[O-])cc1 ZINC000036724669 494096702 /nfs/dbraw/zinc/09/67/02/494096702.db2.gz KEVFMJOCOYZRBG-UHFFFAOYSA-N -1 0 371.418 3.032 50 0 FGAARM Cc1nc2[n-]c(NC(=O)c3ccc(Cl)cc3Cl)nn2c(=O)c1Cl ZINC000009065828 494113929 /nfs/dbraw/zinc/11/39/29/494113929.db2.gz VPNPEHRYUDZRCZ-UHFFFAOYSA-N -1 0 372.599 3.351 50 0 FGAARM O=C(Nc1ccc(F)cc1)c1cncc([N-]S(=O)(=O)c2ccccc2)c1 ZINC000009151972 494115879 /nfs/dbraw/zinc/11/58/79/494115879.db2.gz DCZAGDYFMLZAJS-UHFFFAOYSA-N -1 0 371.393 3.274 50 0 FGAARM COc1ccccc1NC(=O)CCc1c(C)[n-]n(-c2ccc(F)cc2)c1=O ZINC000009156068 494116039 /nfs/dbraw/zinc/11/60/39/494116039.db2.gz NGAOMSLDXKKVNF-UHFFFAOYSA-N -1 0 369.396 3.193 50 0 FGAARM CCC[C@@H](C)c1c([O-])nc(Nc2nc(C)c3cc(OC)ccc3n2)[nH]c1=O ZINC000009136747 494116134 /nfs/dbraw/zinc/11/61/34/494116134.db2.gz BHHWSIITXOXPHT-SNVBAGLBSA-N -1 0 369.425 3.383 50 0 FGAARM Cc1c(CN2CCn3nc(CCC(=O)[O-])cc3C2)oc2ccc(C)cc12 ZINC000072134679 494130568 /nfs/dbraw/zinc/13/05/68/494130568.db2.gz KOZJAKPQSCBNOE-UHFFFAOYSA-N -1 0 353.422 3.279 50 0 FGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3cc(C)[nH]n3)s2)c1 ZINC000009686509 494130663 /nfs/dbraw/zinc/13/06/63/494130663.db2.gz MWOHBWBWUUUOQJ-UHFFFAOYSA-N -1 0 361.448 3.450 50 0 FGAARM CC[C@@H](C)[C@H](NC(=O)Cn1ccc2c1cccc2Br)C(=O)[O-] ZINC000040313366 494140677 /nfs/dbraw/zinc/14/06/77/494140677.db2.gz FRGLRQTYWRIHPD-BMIGLBTASA-N -1 0 367.243 3.019 50 0 FGAARM Cn1c2ccsc2c([O-])c(C(=O)Nc2ccc(Cl)cc2F)c1=O ZINC000065215382 494179880 /nfs/dbraw/zinc/17/98/80/494179880.db2.gz DLQPJEYFDVKEON-UHFFFAOYSA-N -1 0 352.774 3.350 50 0 FGAARM Cc1cc(Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)nc(C)n1 ZINC000011906689 494195556 /nfs/dbraw/zinc/19/55/56/494195556.db2.gz ZAPPMRLVWNLOIQ-UHFFFAOYSA-N -1 0 355.423 3.033 50 0 FGAARM Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(CC(=O)[O-])c3n2)cnn1C ZINC000012395326 494229914 /nfs/dbraw/zinc/22/99/14/494229914.db2.gz FWKHUGSHFXMWGO-UHFFFAOYSA-N -1 0 361.352 3.040 50 0 FGAARM CCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000014049131 494301348 /nfs/dbraw/zinc/30/13/48/494301348.db2.gz XZGGMIDQEJHICW-UHFFFAOYSA-N -1 0 371.462 3.247 50 0 FGAARM Cc1c(NC(=O)CC2(C(=O)[O-])CCCCC2)cccc1N1CCCC1=O ZINC000055150603 494307539 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O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000001145109 493786608 /nfs/dbraw/zinc/78/66/08/493786608.db2.gz RFUDVJOOUBKKPY-ZIAGYGMSSA-N -1 0 373.434 3.225 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2cc(OC)c(Cl)cc2OC)cc1 ZINC000002477488 493809799 /nfs/dbraw/zinc/80/97/99/493809799.db2.gz AOXLKGLHHCSNJA-UHFFFAOYSA-N -1 0 357.815 3.167 50 0 FGAARM CCCCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1 ZINC000002481735 493810241 /nfs/dbraw/zinc/81/02/41/493810241.db2.gz RADJQSTYBTYUFT-UHFFFAOYSA-N -1 0 362.455 3.105 50 0 FGAARM CCc1c(C)sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C(=O)OC ZINC000002748175 493817541 /nfs/dbraw/zinc/81/75/41/493817541.db2.gz WHSQHUYIOSUDIN-RYUDHWBXSA-N -1 0 351.424 3.011 50 0 FGAARM C[C@@H]1CCC[C@H](NC(=O)CCn2c(=O)c3ccccc3[n-]c2=S)[C@H]1C ZINC000003043482 493830472 /nfs/dbraw/zinc/83/04/72/493830472.db2.gz KKQUIKMWIZLACQ-IPYPFGDCSA-N -1 0 359.495 3.390 50 0 FGAARM COc1ccccc1OCC(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000003626946 493857260 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3.003 50 0 FGAARM CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)C1=O ZINC000004698601 493887552 /nfs/dbraw/zinc/88/75/52/493887552.db2.gz BPFAUXAUDJHIKF-MDWZMJQESA-N -1 0 360.753 3.211 50 0 FGAARM COc1cc(/C=C/c2noc(-c3ccccc3O)n2)ccc1OCC(=O)[O-] ZINC000004815956 493894484 /nfs/dbraw/zinc/89/44/84/493894484.db2.gz ZLNTWZWRJFLWCV-VQHVLOKHSA-N -1 0 368.345 3.085 50 0 FGAARM COc1cc(SC)ccc1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000005171699 493917430 /nfs/dbraw/zinc/91/74/30/493917430.db2.gz VTBPTGAWQLSYTP-UHFFFAOYSA-N -1 0 362.432 3.072 50 0 FGAARM COc1ccc(-c2ccc([N-]S(=O)(=O)c3ccccc3F)cc2)nn1 ZINC000005204236 493919220 /nfs/dbraw/zinc/91/92/20/493919220.db2.gz PIJGTBOGIDITMB-UHFFFAOYSA-N -1 0 359.382 3.092 50 0 FGAARM COC(=O)c1[nH]c2ccc(C)cc2c1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000005684201 493939651 /nfs/dbraw/zinc/93/96/51/493939651.db2.gz DLJJFDCFKSCQHO-UHFFFAOYSA-N -1 0 362.382 3.203 50 0 FGAARM CCCCn1c2ccccc2c([O-])c(C(=O)Nc2cccc(C)n2)c1=O ZINC000005850502 493944280 /nfs/dbraw/zinc/94/42/80/493944280.db2.gz ASMGFYDZLVEVKF-UHFFFAOYSA-N -1 0 351.406 3.463 50 0 FGAARM O=S(=O)([N-]c1cccc(Cn2cccn2)c1)c1ccc(F)c(F)c1F ZINC000031722514 493957642 /nfs/dbraw/zinc/95/76/42/493957642.db2.gz DTPKJNXTHMMKGW-UHFFFAOYSA-N -1 0 367.352 3.150 50 0 FGAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CCCC2 ZINC000006730910 493975986 /nfs/dbraw/zinc/97/59/86/493975986.db2.gz NRFHOXPDPSZPKD-UHFFFAOYSA-N -1 0 364.467 3.103 50 0 FGAARM CCc1ccccc1-n1[nH][n-]c2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c1=2 ZINC000033114658 494045261 /nfs/dbraw/zinc/04/52/61/494045261.db2.gz ASYVONOHGSXQKZ-SJORKVTESA-N -1 0 352.369 3.194 50 0 FGAARM O=C([O-])C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CCO1 ZINC000084181230 494054273 /nfs/dbraw/zinc/05/42/73/494054273.db2.gz MWVJXGOSMIXASR-AWEZNQCLSA-N -1 0 367.401 3.111 50 0 FGAARM CCCOc1cccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)c1 ZINC000034765298 494067674 /nfs/dbraw/zinc/06/76/74/494067674.db2.gz NYDAFYYKPROTJC-UHFFFAOYSA-N -1 0 372.469 3.128 50 0 FGAARM O=C([O-])C[C@H]1S/C(=N\C2CCCCC2)N(c2ccc(F)cc2)C1=O ZINC000035846165 494082307 /nfs/dbraw/zinc/08/23/07/494082307.db2.gz FLVLNGVBMQWMCE-RMYFCYLKSA-N -1 0 350.415 3.438 50 0 FGAARM CC[C@H](C)[C@@H](NC(=O)Cc1csc(-c2ccc(F)cc2)n1)C(=O)[O-] ZINC000036579962 494092672 /nfs/dbraw/zinc/09/26/72/494092672.db2.gz SUZFIBVUFQBKBH-ZUZCIYMTSA-N -1 0 350.415 3.107 50 0 FGAARM COc1ccccc1-c1noc(CCC(=O)Nc2ccccc2C(=O)[O-])n1 ZINC000008715416 494101293 /nfs/dbraw/zinc/10/12/93/494101293.db2.gz FPTVKOSZGXPAHB-UHFFFAOYSA-N -1 0 367.361 3.015 50 0 FGAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000008768707 494104461 /nfs/dbraw/zinc/10/44/61/494104461.db2.gz SOTCGHMZMOOYJT-UHFFFAOYSA-N -1 0 350.465 3.238 50 0 FGAARM O=C([O-])[C@H]1[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)[C@H]2CC[C@@H]1O2 ZINC000085389817 494119533 /nfs/dbraw/zinc/11/95/33/494119533.db2.gz XXBOTYKHRQWJOB-NOOOWODRSA-N -1 0 363.719 3.176 50 0 FGAARM O=C(NCCc1c[nH]c2ccccc12)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000040088286 494129813 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Cc1c(C)c(C)c(S(=O)(=O)[N-]c2cc(-c3nccn3C)[nH]n2)c(C)c1C ZINC000089502531 494317777 /nfs/dbraw/zinc/31/77/77/494317777.db2.gz JTGHCRCVFZXHSB-UHFFFAOYSA-N -1 0 373.482 3.153 50 0 FGAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1c(C)c(C)nc2ccc(C)cc21 ZINC000055326120 494328256 /nfs/dbraw/zinc/32/82/56/494328256.db2.gz GCXMXUXYASKXOA-UHFFFAOYSA-N -1 0 366.421 3.310 50 0 FGAARM Cc1cc(C)n([C@@H](C)Cn2cc(Oc3ccccc3)c(=O)c(C(=O)[O-])c2)n1 ZINC000055393168 494337386 /nfs/dbraw/zinc/33/73/86/494337386.db2.gz RZHKZGVAHWQLJN-HNNXBMFYSA-N -1 0 367.405 3.413 50 0 FGAARM COc1ccc(NC(C)=O)cc1S(=O)(=O)[N-]c1ccc2[nH]c(C)cc2c1 ZINC000046071553 494491947 /nfs/dbraw/zinc/49/19/47/494491947.db2.gz WPJHTXKZLAVIKL-UHFFFAOYSA-N -1 0 373.434 3.244 50 0 FGAARM COc1ccccc1[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)c2)C[C@H]1C(=O)[O-] ZINC000091327190 494584182 /nfs/dbraw/zinc/58/41/82/494584182.db2.gz XWAGPDPACGCHPM-DLBZAZTESA-N -1 0 370.449 3.192 50 0 FGAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)[O-])c2)cc1 ZINC000047318043 494679227 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366.417 3.201 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2C ZINC000008715837 494101946 /nfs/dbraw/zinc/10/19/46/494101946.db2.gz CKIUVAINLSNCBH-UHFFFAOYSA-N -1 0 368.414 3.239 50 0 FGAARM Nc1ccc(Br)cc1-c1nnc(-c2ccc(F)cc2)c(=O)[n-]1 ZINC000071922017 494108275 /nfs/dbraw/zinc/10/82/75/494108275.db2.gz XOAPUUDNCMSIKA-UHFFFAOYSA-N -1 0 361.174 3.395 50 0 FGAARM Cc1nn(-c2ccc(F)cc2)c2c1[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000009576216 494128300 /nfs/dbraw/zinc/12/83/00/494128300.db2.gz KEESLEQZVSHAKX-INIZCTEOSA-N -1 0 365.364 3.492 50 0 FGAARM Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2N(C)C)cc1C(=O)[O-] ZINC000040105262 494131972 /nfs/dbraw/zinc/13/19/72/494131972.db2.gz MNTNLLVICXESGA-UHFFFAOYSA-N -1 0 368.842 3.213 50 0 FGAARM O=C(NCc1ccco1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000009859198 494134516 /nfs/dbraw/zinc/13/45/16/494134516.db2.gz KCXGITVGZHUFFU-UHFFFAOYSA-N -1 0 362.432 3.072 50 0 FGAARM O=C([O-])CCCCCNC(=O)Cn1ccc2c1cccc2Br ZINC000040283066 494139693 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O=C([O-])C1(CC(=O)Nc2cc(N3CCCC3=O)ccc2F)CCCCC1 ZINC000055151004 494307396 /nfs/dbraw/zinc/30/73/96/494307396.db2.gz OZKMUALHIRRGRT-UHFFFAOYSA-N -1 0 362.401 3.316 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc3cccnc32)C[C@H]1c1ccc(F)cc1 ZINC000091289169 494578319 /nfs/dbraw/zinc/57/83/19/494578319.db2.gz DPZJEJDTIMMQJP-ZWKOTPCHSA-N -1 0 364.376 3.314 50 0 FGAARM Cc1ccc2nc3c(c(C(=O)/N=c4\[n-]nc5ccccn54)c2c1)CCCC3 ZINC000075574185 494798483 /nfs/dbraw/zinc/79/84/83/494798483.db2.gz JBFDBOQEMBGMGG-UHFFFAOYSA-N -1 0 357.417 3.139 50 0 FGAARM Cc1cccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2Cl)c1C ZINC000026527344 494829919 /nfs/dbraw/zinc/82/99/19/494829919.db2.gz WVBFLULVPYGRLK-UHFFFAOYSA-N -1 0 373.883 3.161 50 0 FGAARM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1c(Cl)cccc1Cl ZINC000026539229 494830542 /nfs/dbraw/zinc/83/05/42/494830542.db2.gz MRSAJEXCNMIFCB-UHFFFAOYSA-N -1 0 359.234 3.202 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc3ccc(F)cc3s2)c1 ZINC000027756960 494884337 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CCc1cc(N2CCC[C@@](Cc3ccc(F)cc3F)(C(=O)[O-])C2)ncn1 ZINC000071403954 136139099 /nfs/dbraw/zinc/13/90/99/136139099.db2.gz YYIYIOLCKCDEEZ-IBGZPJMESA-N -1 0 361.392 3.231 50 0 FGAARM CC(=O)N[C@@H]1CN(c2nc(-c3ccccc3)ccc2C(=O)[O-])C[C@H]1C(C)C ZINC000077376785 221614094 /nfs/dbraw/zinc/61/40/94/221614094.db2.gz RELULVOQBYWQBH-PKOBYXMFSA-N -1 0 367.449 3.044 50 0 FGAARM CCOc1ccc(-c2ccnc(NC[C@]3(C)CCCO3)n2)cc1C(=O)[O-] ZINC000077377188 221615818 /nfs/dbraw/zinc/61/58/18/221615818.db2.gz DBSIWEMPICVZBE-IBGZPJMESA-N -1 0 357.410 3.222 50 0 FGAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)ccc2Cl)C1 ZINC000091845916 221802882 /nfs/dbraw/zinc/80/28/82/221802882.db2.gz XFWLSUJEYPHHRM-SFHVURJKSA-N -1 0 353.846 3.382 50 0 FGAARM COc1ccc(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)cc1OC ZINC000096936590 222143492 /nfs/dbraw/zinc/14/34/92/222143492.db2.gz GLZLVWPKZOJOBN-GHXNOFRVSA-N -1 0 355.390 3.373 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101418075 222274137 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O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000000627298 493765766 /nfs/dbraw/zinc/76/57/66/493765766.db2.gz WIEYNARULJLYQD-LSDHHAIUSA-N -1 0 370.405 3.039 50 0 FGAARM Cc1ccc2oc(-c3cc(C(=O)[O-])cc4c3OCOC4)c(O)c(=O)c2c1 ZINC000001504486 493795923 /nfs/dbraw/zinc/79/59/23/493795923.db2.gz ICXSIFAQHKTWNZ-UHFFFAOYSA-N -1 0 354.314 3.039 50 0 FGAARM O=c1c(O)c(Br)cc(Br)cc1Br ZINC000002139894 493802671 /nfs/dbraw/zinc/80/26/71/493802671.db2.gz LOZICHMYQGIQQC-UHFFFAOYSA-N -1 0 358.811 3.040 50 0 FGAARM COc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)[O-])c1 ZINC000002215852 493803453 /nfs/dbraw/zinc/80/34/53/493803453.db2.gz YSFJIPPXZLYXMY-UHFFFAOYSA-N -1 0 364.810 3.174 50 0 FGAARM O=C([O-])[C@H]1SCCN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002583071 493810791 /nfs/dbraw/zinc/81/07/91/493810791.db2.gz WVHICFRRDSXAJA-QGZVFWFLSA-N -1 0 355.415 3.395 50 0 FGAARM CCOc1ccc(S(=O)(=O)[N-]c2sc(C)cc2C(=O)OC)cc1 ZINC000002743935 493817585 /nfs/dbraw/zinc/81/75/85/493817585.db2.gz 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493891337 /nfs/dbraw/zinc/89/13/37/493891337.db2.gz AHJGIRAVWASSBK-UHFFFAOYSA-N -1 0 357.793 3.319 50 0 FGAARM COc1ccc(/C=C2\N=C(C)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1OC ZINC000005343435 493925813 /nfs/dbraw/zinc/92/58/13/493925813.db2.gz JUTKCTIFKXAVHX-YBEGLDIGSA-N -1 0 366.373 3.208 50 0 FGAARM O=C([O-])C[C@]1(C(=O)NCc2ccccc2)CC(/C=C/c2ccccc2)=NO1 ZINC000005350519 493926911 /nfs/dbraw/zinc/92/69/11/493926911.db2.gz FHXYPSJZVQXCED-VIOKTNGOSA-N -1 0 364.401 3.006 50 0 FGAARM CCCCCNC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032031916 493970931 /nfs/dbraw/zinc/97/09/31/493970931.db2.gz QXVZYVWOEMIJLY-UHFFFAOYSA-N -1 0 366.508 3.398 50 0 FGAARM Cc1ccc(CN2CCN(C(=O)[C@H]3CC(C)=C(C)C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000006698232 493975111 /nfs/dbraw/zinc/97/51/11/493975111.db2.gz TVARGBLXSPRTEH-PMACEKPBSA-N -1 0 370.493 3.086 50 0 FGAARM CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1F ZINC000006800785 493980920 /nfs/dbraw/zinc/98/09/20/493980920.db2.gz YPDNMBAQUKLMJL-UHFFFAOYSA-N -1 0 368.405 3.151 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1 ZINC000006858600 493983396 /nfs/dbraw/zinc/98/33/96/493983396.db2.gz VEVACJVQXGPSQB-UHFFFAOYSA-N -1 0 370.430 3.319 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc3c(cccc3C)s2)c1 ZINC000006919697 493987163 /nfs/dbraw/zinc/98/71/63/493987163.db2.gz OYJITKCHGVKRAF-UHFFFAOYSA-N -1 0 364.448 3.423 50 0 FGAARM COc1ccc(NC(C)=O)cc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000007051213 493996878 /nfs/dbraw/zinc/99/68/78/493996878.db2.gz VBIJDGYOSCZIHP-UHFFFAOYSA-N -1 0 360.844 3.169 50 0 FGAARM C[C@H](Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)C(=O)[O-] ZINC000007276787 494012778 /nfs/dbraw/zinc/01/27/78/494012778.db2.gz CPFHCKJCKZWNML-LBPRGKRZSA-N -1 0 350.382 3.244 50 0 FGAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)Nc3cccc(F)c3)c(=O)c12 ZINC000007424021 494022370 /nfs/dbraw/zinc/02/23/70/494022370.db2.gz NNLJIFPEBBQCMG-UHFFFAOYSA-N -1 0 362.364 3.414 50 0 FGAARM O=C1CCCN1c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000007612596 494030603 /nfs/dbraw/zinc/03/06/03/494030603.db2.gz SPLWKTNJCPOTAQ-UHFFFAOYSA-N -1 0 370.352 3.032 50 0 FGAARM CCOc1ccc(-c2ccnc(N[C@@H](C)c3ncc[nH]3)n2)cc1C(=O)[O-] ZINC000077354400 494065192 /nfs/dbraw/zinc/06/51/92/494065192.db2.gz TXJDRGBSLDHXIF-NSHDSACASA-N -1 0 353.382 3.137 50 0 FGAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)c1C ZINC000035405000 494076326 /nfs/dbraw/zinc/07/63/26/494076326.db2.gz ALPAYJYHXBZHDV-UHFFFAOYSA-N -1 0 364.492 3.402 50 0 FGAARM Nn1c(=S)[n-]nc1-n1nc(C(F)(F)F)cc1-c1ccc(Cl)cc1 ZINC000008393123 494088785 /nfs/dbraw/zinc/08/87/85/494088785.db2.gz NTSVCQLAQKQZBF-UHFFFAOYSA-N -1 0 360.752 3.179 50 0 FGAARM NC(=O)c1c(SCc2ccccc2Cl)sc2c1[nH]c(=O)cc2[O-] ZINC000036360064 494090104 /nfs/dbraw/zinc/09/01/04/494090104.db2.gz KFPKERRRMFIBAF-UHFFFAOYSA-N -1 0 366.851 3.340 50 0 FGAARM CCOc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCC(=O)N2 ZINC000008962485 494110766 /nfs/dbraw/zinc/11/07/66/494110766.db2.gz UXKCCLGEENDIBB-UHFFFAOYSA-N -1 0 360.435 3.079 50 0 FGAARM CCCCN1C(=O)[N-]C(=O)C(=C(C)Nc2ccc(N(CC)CC)cc2)C1=O ZINC000009089714 494113908 /nfs/dbraw/zinc/11/39/08/494113908.db2.gz IZVUIZZYEDGYDU-SAPNQHFASA-N -1 0 372.469 3.097 50 0 FGAARM CC(Nc1ccc2c(c1)CCC2)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000009111140 494114716 /nfs/dbraw/zinc/11/47/16/494114716.db2.gz KFZMAFBOOUOQDA-QGOAFFKASA-N -1 0 367.449 3.272 50 0 FGAARM CO[C@@]1(C)C[C@H](N(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1(C)C ZINC000086338307 494149277 /nfs/dbraw/zinc/14/92/77/494149277.db2.gz DREJTMMAHZAJFJ-UGSOOPFHSA-N -1 0 361.467 3.274 50 0 FGAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@H]1c1ccc(F)cc1 ZINC000072421106 494169068 /nfs/dbraw/zinc/16/90/68/494169068.db2.gz CIOZANRJXCWZEF-SFHVURJKSA-N -1 0 351.381 3.282 50 0 FGAARM CCN(C(C)=O)c1nc(/C=C2\CCc3oc(C(=O)[O-])c(C)c3C2=O)cs1 ZINC000041574977 494169514 /nfs/dbraw/zinc/16/95/14/494169514.db2.gz IPGBJOVVDXCHND-YRNVUSSQSA-N -1 0 374.418 3.328 50 0 FGAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(c3nc4ccccc4o3)CC2)n1 ZINC000072423201 494170423 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O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000089827792 494375647 /nfs/dbraw/zinc/37/56/47/494375647.db2.gz LWVAFADAGBGYET-QGZVFWFLSA-N -1 0 367.361 3.137 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O ZINC000025561291 494757002 /nfs/dbraw/zinc/75/70/02/494757002.db2.gz QDXZDNHIORSDNW-INIZCTEOSA-N -1 0 352.390 3.054 50 0 FGAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccccc2C)n1 ZINC000075505088 494781000 /nfs/dbraw/zinc/78/10/00/494781000.db2.gz RTAWQSXAMQBGCS-UHFFFAOYSA-N -1 0 360.439 3.353 50 0 FGAARM CC1=NN(c2ccc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cc2)CC1 ZINC000095350696 494960351 /nfs/dbraw/zinc/96/03/51/494960351.db2.gz IMBUPVSOBQXHGG-HNNXBMFYSA-N -1 0 357.435 3.280 50 0 FGAARM O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)c1 ZINC000095367563 494965450 /nfs/dbraw/zinc/96/54/50/494965450.db2.gz CSALUTBGXNYAKT-HNNXBMFYSA-N -1 0 363.410 3.092 50 0 FGAARM Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)[O-])CC2=O)c1C ZINC000095471846 494978888 /nfs/dbraw/zinc/97/88/88/494978888.db2.gz LZTIQVZJHTZJTK-OAHLLOKOSA-N -1 0 363.417 3.258 50 0 FGAARM O=C(CSc1n[n-]c(=S)s1)N1CC=C(c2ccccc2F)CC1 ZINC000137332144 495437231 /nfs/dbraw/zinc/43/72/31/495437231.db2.gz QAEZNQOEZJEKER-UHFFFAOYSA-N -1 0 367.496 3.374 50 0 FGAARM CC(C)(C)n1nc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1C1CC1 ZINC000170596811 495531562 /nfs/dbraw/zinc/53/15/62/495531562.db2.gz SFLMYPWIICLSGU-UHFFFAOYSA-N -1 0 357.410 3.231 50 0 FGAARM CN(Cc1ccc2c(c1)OCCO2)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170631929 495539329 /nfs/dbraw/zinc/53/93/29/495539329.db2.gz KNSRRFZONQDAFL-UHFFFAOYSA-N -1 0 356.403 3.160 50 0 FGAARM C[C@@](Cc1ccccc1)(NC(=O)CCn1ccc2ccccc21)C(=O)[O-] ZINC000170671884 495556494 /nfs/dbraw/zinc/55/64/94/495556494.db2.gz AXSGMOJDAPJITE-NRFANRHFSA-N -1 0 350.418 3.234 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(Br)ccc2F)c2ccccc21 ZINC000177481770 496079476 /nfs/dbraw/zinc/07/94/76/496079476.db2.gz YNSMFUDSXFNSJP-GFCCVEGCSA-N -1 0 364.170 3.417 50 0 FGAARM C[C@@H]1Cc2ccccc2N1Cc1ccoc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000178171752 496355437 /nfs/dbraw/zinc/35/54/37/496355437.db2.gz OSSJXZFXYJMEJS-CQSZACIVSA-N -1 0 368.433 3.168 50 0 FGAARM CN(CC(=O)[O-])C(=O)c1cccnc1Oc1ccc(Cl)cc1Cl ZINC000153128681 496361831 /nfs/dbraw/zinc/36/18/31/496361831.db2.gz VAUSDXQLFWSCDD-UHFFFAOYSA-N -1 0 355.177 3.337 50 0 FGAARM Cc1ccc(-n2[n-]c(C(=O)NCc3cccc(OC(F)F)c3)cc2=O)cc1 ZINC000172723971 496402902 /nfs/dbraw/zinc/40/29/02/496402902.db2.gz MNNIGPCXHFIJHE-UHFFFAOYSA-N -1 0 373.359 3.005 50 0 FGAARM O=S(=O)([N-]c1ccc2c(c1)CN(CC(F)F)C2)c1c(F)cccc1F ZINC000225392207 497060703 /nfs/dbraw/zinc/06/07/03/497060703.db2.gz JWNYAKXKZBPZSX-UHFFFAOYSA-N -1 0 374.359 3.346 50 0 FGAARM CCOc1c(F)cccc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237021536 497181325 /nfs/dbraw/zinc/18/13/25/497181325.db2.gz IIIMIFSUWRRXGS-UHFFFAOYSA-N -1 0 371.408 3.483 50 0 FGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000237942146 497317210 /nfs/dbraw/zinc/31/72/10/497317210.db2.gz 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FGAARM O=C([O-])c1ccc2c(=O)n3c(nc2c1)/C(=C\c1c(F)cccc1F)CC3 ZINC000096792807 210240377 /nfs/dbraw/zinc/24/03/77/210240377.db2.gz NJKONZMEURZCHK-NTMALXAHSA-N -1 0 354.312 3.317 50 0 FGAARM O=C([O-])CCCN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O ZINC000009164952 210231485 /nfs/dbraw/zinc/23/14/85/210231485.db2.gz FAXUEVRDXAUJNM-DHZHZOJOSA-N -1 0 370.224 3.350 50 0 FGAARM CC(C)c1ncc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)n1 ZINC000236625450 210209929 /nfs/dbraw/zinc/20/99/29/210209929.db2.gz UMYXMYKKEFLDKZ-DRZSPHRISA-N -1 0 351.834 3.111 50 0 FGAARM CC(C)c1ncc(Cl)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)n1 ZINC000236625396 210208956 /nfs/dbraw/zinc/20/89/56/210208956.db2.gz UMYXMYKKEFLDKZ-WXHSDQCUSA-N -1 0 351.834 3.111 50 0 FGAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CCc1ccc(F)cc1)c2=O ZINC000004741242 210150748 /nfs/dbraw/zinc/15/07/48/210150748.db2.gz HAFLVTLRLZMBPL-UHFFFAOYSA-N -1 0 358.394 3.227 50 0 FGAARM COc1cc(NC(=O)CCc2c(C)noc2C)c(Cl)cc1C(=O)[O-] ZINC000008429412 210135465 /nfs/dbraw/zinc/13/54/65/210135465.db2.gz HJXVHUMYZBJQIF-UHFFFAOYSA-N -1 0 352.774 3.223 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)c2csc(-c3ccc(Cl)s3)n2)C1 ZINC000136124139 210089414 /nfs/dbraw/zinc/08/94/14/210089414.db2.gz WJYIXPQUXJVTQG-MRVPVSSYSA-N -1 0 356.856 3.462 50 0 FGAARM Cc1ccc(S(=O)(=O)N2[C@@H](C(=O)[O-])CC[C@@H]2c2ccccc2)c(C)c1 ZINC000225662959 222858930 /nfs/dbraw/zinc/85/89/30/222858930.db2.gz JHAKGNYBYMOMFD-IAGOWNOFSA-N -1 0 359.447 3.282 50 0 FGAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)cc1C(=O)[O-] ZINC000237318728 222907113 /nfs/dbraw/zinc/90/71/13/222907113.db2.gz WRMLHTWZYLQPOM-NWDGAFQWSA-N -1 0 361.344 3.092 50 0 FGAARM CCc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1c(F)cc(F)cc1F ZINC000076041802 211694268 /nfs/dbraw/zinc/69/42/68/211694268.db2.gz YWGMIKHUDSPTEX-UHFFFAOYSA-N -1 0 359.325 3.165 50 0 FGAARM Cc1c2c(cc(=O)n1Cc1ccco1)[n-]n(-c1ccc(Cl)cc1)c2=O ZINC000036579829 211668241 /nfs/dbraw/zinc/66/82/41/211668241.db2.gz LBQBFXQPZSOPJL-UHFFFAOYSA-N -1 0 355.781 3.448 50 0 FGAARM CC(C)[C@H](NC(=O)Cc1csc(-c2cccc(Cl)c2)n1)C(=O)[O-] ZINC000020745499 211294672 /nfs/dbraw/zinc/29/46/72/211294672.db2.gz WGTWXKPEJXIUBI-AWEZNQCLSA-N -1 0 352.843 3.231 50 0 FGAARM CCOC(=O)c1ccsc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017072900 211175414 /nfs/dbraw/zinc/17/54/14/211175414.db2.gz WNXDVMAMZKSKDW-UHGWMABZSA-N -1 0 351.424 3.000 50 0 FGAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000017072886 211174754 /nfs/dbraw/zinc/17/47/54/211174754.db2.gz JSEPMESBINJKSK-VXGBXAGGSA-N -1 0 351.424 3.227 50 0 FGAARM O=C([O-])[C@@H]1C[C@H](F)CN1C(=O)OCC1c2ccccc2-c2ccccc21 ZINC000014632641 211096246 /nfs/dbraw/zinc/09/62/46/211096246.db2.gz CJEQUGHYFSTTQT-SGTLLEGYSA-N -1 0 355.365 3.433 50 0 FGAARM COc1ccc([C@H](C)NC(=O)C[C@@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000013469399 211034332 /nfs/dbraw/zinc/03/43/32/211034332.db2.gz OLVKJXMUDQIMEA-RNODOKPDSA-N -1 0 359.397 3.444 50 0 FGAARM Cc1occc1-c1nnc2n1N=C(c1ccccc1)[C@H](CC(=O)[O-])S2 ZINC000013182335 211026212 /nfs/dbraw/zinc/02/62/12/211026212.db2.gz ALDFKDIZEICPKN-ZDUSSCGKSA-N -1 0 354.391 3.048 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2ccc(N3Cc4ccccc4C3=N)cc2)no1 ZINC000012575816 210970988 /nfs/dbraw/zinc/97/09/88/210970988.db2.gz PAIQKMMUHXEOSP-UHFFFAOYSA-N -1 0 368.418 3.129 50 0 FGAARM Cc1nc(-c2ccc(OC(F)(F)F)cc2)sc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000012321899 210942491 /nfs/dbraw/zinc/94/24/91/210942491.db2.gz LMWJGUBWVQZBFY-QMMMGPOBSA-N -1 0 374.340 3.220 50 0 FGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1cc(C)ccc1C ZINC000006887601 210713934 /nfs/dbraw/zinc/71/39/34/210713934.db2.gz HJZRJFRWTZBOGH-UHFFFAOYSA-N -1 0 364.467 3.236 50 0 FGAARM CCOc1ccc([C@H](CC(=O)[O-])N2Cc3ccccc3C2=O)cc1OC ZINC000003883834 210497587 /nfs/dbraw/zinc/49/75/87/210497587.db2.gz WZEKARMABXOCRW-INIZCTEOSA-N -1 0 355.390 3.266 50 0 FGAARM CCOC(=O)[C@]([N-]c1ccccc1Cl)(NC(=O)CC)C(F)(F)F ZINC000002344588 210392260 /nfs/dbraw/zinc/39/22/60/210392260.db2.gz IYWTULWDJYOWFM-ZDUSSCGKSA-N -1 0 352.740 3.100 50 0 FGAARM O=C([O-])c1cc(F)ccc1NS(=O)(=O)c1cccc(Br)c1 ZINC000020301746 220320352 /nfs/dbraw/zinc/32/03/52/220320352.db2.gz DIZGFVKZOAKWMS-UHFFFAOYSA-N -1 0 374.187 3.087 50 0 FGAARM O=C(Nc1ccc(F)c(F)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001303729 210341344 /nfs/dbraw/zinc/34/13/44/210341344.db2.gz YJWJUPXFNBFASW-UHFFFAOYSA-N -1 0 356.328 3.184 50 0 FGAARM COc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000001159917 210327476 /nfs/dbraw/zinc/32/74/76/210327476.db2.gz VYAWTEWEGCQOBV-UHFFFAOYSA-N -1 0 364.810 3.174 50 0 FGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1Br ZINC000001073160 210312784 /nfs/dbraw/zinc/31/27/84/210312784.db2.gz GZUBUHZMDJRTIX-UHFFFAOYSA-N -1 0 369.240 3.073 50 0 FGAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1OC ZINC000000969807 210297147 /nfs/dbraw/zinc/29/71/47/210297147.db2.gz JCEKZRPNHVXRGK-CQSZACIVSA-N -1 0 363.797 3.303 50 0 FGAARM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)cc1 ZINC000000958039 210295287 /nfs/dbraw/zinc/29/52/87/210295287.db2.gz 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ZINC000003624749 493857165 /nfs/dbraw/zinc/85/71/65/493857165.db2.gz BVSADQLQFFOEFP-KDOFPFPSSA-N -1 0 357.406 3.185 50 0 FGAARM Nc1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000003885610 493859425 /nfs/dbraw/zinc/85/94/25/493859425.db2.gz QMNDHDCTCPLZHH-UHFFFAOYSA-N -1 0 361.648 3.486 50 0 FGAARM O=C([O-])CSc1nnc(COc2ccccc2)n1Cc1ccccc1 ZINC000004169198 493868250 /nfs/dbraw/zinc/86/82/50/493868250.db2.gz UFQPWFQHRWJOFP-UHFFFAOYSA-N -1 0 355.419 3.082 50 0 FGAARM CCOc1ccc(Cl)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000004809506 493893039 /nfs/dbraw/zinc/89/30/39/493893039.db2.gz RKMFYTBGMDGTIW-UHFFFAOYSA-N -1 0 369.826 3.311 50 0 FGAARM COc1ccc(NC(=O)c2[n-]cnc2C(=O)Nc2ccccc2C)cc1 ZINC000005075081 493912437 /nfs/dbraw/zinc/91/24/37/493912437.db2.gz PGJQQBVXJWNAIV-UHFFFAOYSA-N -1 0 350.378 3.231 50 0 FGAARM CCOc1ccc(-c2cccc([N-]S(=O)(=O)c3cccs3)c2)nn1 ZINC000005204292 493919388 /nfs/dbraw/zinc/91/93/88/493919388.db2.gz HOZXYHFFWXRFMN-UHFFFAOYSA-N -1 0 361.448 3.405 50 0 FGAARM COc1ccc(OC)c(N2C(=O)C(=Cc3cccs3)C(=O)[N-]C2=S)c1 ZINC000005916272 493945135 /nfs/dbraw/zinc/94/51/35/493945135.db2.gz RCPOZANLKRGQEO-FMIVXFBMSA-N -1 0 374.443 3.437 50 0 FGAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000005953051 493946828 /nfs/dbraw/zinc/94/68/28/493946828.db2.gz DGZXNXCAKMCXGV-RYUDHWBXSA-N -1 0 351.424 3.147 50 0 FGAARM COc1ccc2[nH]c(SCC(=O)Nc3cccc(C(=O)[O-])c3)nc2c1 ZINC000005988166 493948747 /nfs/dbraw/zinc/94/87/47/493948747.db2.gz LFTWYWZPQNZQNC-UHFFFAOYSA-N -1 0 357.391 3.001 50 0 FGAARM COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2 ZINC000006073088 493950783 /nfs/dbraw/zinc/95/07/83/493950783.db2.gz UQLIBSDYCUZPHI-GQYWMQPJSA-N -1 0 365.451 3.265 50 0 FGAARM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1 ZINC000006146044 493953055 /nfs/dbraw/zinc/95/30/55/493953055.db2.gz YUPIKKDNJKHXBH-UHFFFAOYSA-N -1 0 364.492 3.348 50 0 FGAARM COc1cc(/C=C\C(=O)[O-])ccc1OS(=O)(=O)c1ccc(C)cc1C ZINC000006404417 493962190 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Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)cc1 ZINC000006770557 493978938 /nfs/dbraw/zinc/97/89/38/493978938.db2.gz DWGYZHRBYLKKDL-CVEARBPZSA-N -1 0 354.797 3.142 50 0 FGAARM C[C@H](C(=O)N(C)Cc1ccsc1)n1c(=O)c2ccccc2[n-]c1=S ZINC000032414114 493987162 /nfs/dbraw/zinc/98/71/62/493987162.db2.gz QTVFCIPKVIQKFP-LLVKDONJSA-N -1 0 359.476 3.340 50 0 FGAARM COc1cc(C)c(Br)cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000032601887 493999237 /nfs/dbraw/zinc/99/92/37/493999237.db2.gz XYRSJSGVTAAZEQ-UHFFFAOYSA-N -1 0 372.240 3.273 50 0 FGAARM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1C(C)(C)C ZINC000032601609 493999602 /nfs/dbraw/zinc/99/96/02/493999602.db2.gz MFQXNLCWGLUVFN-UHFFFAOYSA-N -1 0 363.435 3.492 50 0 FGAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc2c(c1)-c1ccccc1C2 ZINC000007709069 494037443 /nfs/dbraw/zinc/03/74/43/494037443.db2.gz FHSURLCEYDAPJX-UHFFFAOYSA-N -1 0 353.447 3.409 50 0 FGAARM C=CCOc1ccccc1C=C1C(=O)[N-]C(=O)N(c2ccc(O)cc2)C1=O ZINC000033932351 494064223 /nfs/dbraw/zinc/06/42/23/494064223.db2.gz SECGPWRFBKOJBB-VBKFSLOCSA-N -1 0 364.357 3.464 50 0 FGAARM COc1cccc(C[C@H](C(=O)Nc2cccc3ccccc32)c2nnn[n-]2)c1 ZINC000034367395 494065677 /nfs/dbraw/zinc/06/56/77/494065677.db2.gz LGLFDNXWUJGUDK-SFHVURJKSA-N -1 0 373.416 3.327 50 0 FGAARM Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCCC3)cs2)cc1 ZINC000035405228 494076002 /nfs/dbraw/zinc/07/60/02/494076002.db2.gz FXBFSGKDHDPXKH-UHFFFAOYSA-N -1 0 364.492 3.483 50 0 FGAARM COc1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2O)c(OC)cc1C ZINC000035592613 494079876 /nfs/dbraw/zinc/07/98/76/494079876.db2.gz QFRKOTVVQMMVKB-UHFFFAOYSA-N -1 0 357.815 3.172 50 0 FGAARM O=C([O-])[C@@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)c2ccccc21 ZINC000084579080 494084503 /nfs/dbraw/zinc/08/45/03/494084503.db2.gz FSCDQFFDCVHISK-CYBMUJFWSA-N -1 0 371.336 3.083 50 0 FGAARM Cc1cccc(NC(=O)CSCc2nc(=O)c3sccc3[n-]2)c1C ZINC000009377327 494123227 /nfs/dbraw/zinc/12/32/27/494123227.db2.gz QUBIMACMZZVFOI-UHFFFAOYSA-N -1 0 359.476 3.473 50 0 FGAARM Cc1nn(-c2ccc(F)cc2)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)N2 ZINC000009576215 494128350 /nfs/dbraw/zinc/12/83/50/494128350.db2.gz KEESLEQZVSHAKX-MRXNPFEDSA-N -1 0 365.364 3.492 50 0 FGAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)c3cccc4nccnc43)C2)c1 ZINC000072143091 494133532 /nfs/dbraw/zinc/13/35/32/494133532.db2.gz OQVFVJKAOLJSDT-OAHLLOKOSA-N -1 0 361.401 3.033 50 0 FGAARM CC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000053468384 494135145 /nfs/dbraw/zinc/13/51/45/494135145.db2.gz HAOURHZNIPORTN-UHFFFAOYSA-N -1 0 370.434 3.110 50 0 FGAARM CCCOc1cccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000040145210 494136338 /nfs/dbraw/zinc/13/63/38/494136338.db2.gz QNCRWTSFPKYYHK-UHFFFAOYSA-N -1 0 357.435 3.046 50 0 FGAARM O=C([O-])c1ccnc(-c2ccnc(NCc3cc(-c4ccco4)on3)n2)c1 ZINC000072424279 494170492 /nfs/dbraw/zinc/17/04/92/494170492.db2.gz XKBWAXSUPNYYJG-UHFFFAOYSA-N -1 0 363.333 3.097 50 0 FGAARM CCCCNC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O ZINC000065215681 494180354 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CC(C)Cc1ccc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)cc1 ZINC000095352204 494961374 /nfs/dbraw/zinc/96/13/74/494961374.db2.gz DWDRYMOGSJHMSR-NRFANRHFSA-N -1 0 367.493 3.224 50 0 FGAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)c1cccc(-c2ccc(F)cc2)c1 ZINC000095378675 494970028 /nfs/dbraw/zinc/97/00/28/494970028.db2.gz OMMOQDCOHIJWCP-SFHVURJKSA-N -1 0 365.364 3.040 50 0 FGAARM O=C([O-])C[C@@H](NC(=O)c1cccc(Cn2cccn2)c1)c1ccc(F)cc1 ZINC000095391184 494972904 /nfs/dbraw/zinc/97/29/04/494972904.db2.gz GWKPMUZHLBPSOM-GOSISDBHSA-N -1 0 367.380 3.016 50 0 FGAARM O=C([O-])C[C@H](NC(=O)c1cccc(Cn2cccn2)c1)c1ccc(F)cc1 ZINC000095391183 494973350 /nfs/dbraw/zinc/97/33/50/494973350.db2.gz GWKPMUZHLBPSOM-SFHVURJKSA-N -1 0 367.380 3.016 50 0 FGAARM Cc1ccoc1C(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000095424460 494974628 /nfs/dbraw/zinc/97/46/28/494974628.db2.gz SAIOHMSHAPMMCN-LBPRGKRZSA-N -1 0 352.184 3.296 50 0 FGAARM CC(C)Cc1ccc(S(=O)(=O)[N-]c2cc(Br)n(C)n2)cc1 ZINC000095460461 494977107 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FGAARM O=C([O-])[C@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@H]1CCCOC1 ZINC000262782729 497620783 /nfs/dbraw/zinc/62/07/83/497620783.db2.gz MIESHMUBTCWIBZ-MAUKXSAKSA-N -1 0 355.390 3.089 50 0 FGAARM Cc1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])sc1-c1cccc(Cl)c1 ZINC000263223548 497736548 /nfs/dbraw/zinc/73/65/48/497736548.db2.gz ZLNBUFYYGMIFOL-ZDUSSCGKSA-N -1 0 365.838 3.303 50 0 FGAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000299753285 497911956 /nfs/dbraw/zinc/91/19/56/497911956.db2.gz XPLMXKAJLMXIKO-OIISXLGYSA-N -1 0 351.406 3.002 50 0 FGAARM Cc1nc(COc2ccc(/C=C\C(=O)N3CCC[C@@H]3C(=O)[O-])cc2)cs1 ZINC000606441975 507406566 /nfs/dbraw/zinc/40/65/66/507406566.db2.gz TZIPKKNRTYGFAN-UXHZXRBQSA-N -1 0 372.446 3.119 50 0 FGAARM O=C([O-])[C@H]1Cc2ccccc2N1S(=O)(=O)/C=C\c1ccccc1Cl ZINC000606442932 507406638 /nfs/dbraw/zinc/40/66/38/507406638.db2.gz NOFPCBQWNWGTHE-ZBTGYSDGSA-N -1 0 363.822 3.156 50 0 FGAARM O=C([O-])[C@@H]1[C@@H](c2ccccc2)[C@H](C(=O)OCCCCO)[C@H]1c1ccccc1 ZINC000584904470 507565122 /nfs/dbraw/zinc/56/51/22/507565122.db2.gz BTHQPGCSLMVFDA-FGYAAKKASA-N -1 0 368.429 3.200 50 0 FGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1Cl ZINC000006315266 518138922 /nfs/dbraw/zinc/13/89/22/518138922.db2.gz SZUSGACVLZRGMX-UHFFFAOYSA-N -1 0 369.826 3.361 50 0 FGAARM C[C@@H]1CCCCN1C(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000241161331 524093746 /nfs/dbraw/zinc/09/37/46/524093746.db2.gz JZWWLVLFAFYMEL-FHLIZLRMSA-N -1 0 370.449 3.307 50 0 FGAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000237590206 525364680 /nfs/dbraw/zinc/36/46/80/525364680.db2.gz GTMXRNZVWYDTKY-MOPGFXCFSA-N -1 0 353.418 3.331 50 0 FGAARM O=C([O-])[C@@H]1CCCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000262670115 526276191 /nfs/dbraw/zinc/27/61/91/526276191.db2.gz REWPOAYSYWRCMW-LBPRGKRZSA-N -1 0 351.200 3.153 50 0 FGAARM CCn1c2ccccc2c([O-])c(-c2nc(-c3ccc(OC)cc3)no2)c1=O ZINC000101725531 570822844 /nfs/dbraw/zinc/82/28/44/570822844.db2.gz NFYNIUDAZGXCEA-UHFFFAOYSA-N -1 0 363.373 3.453 50 0 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/nfs/dbraw/zinc/88/00/40/719880040.db2.gz OJBPOLLQULDULY-ZDUSSCGKSA-N -1 0 354.244 3.444 50 0 FGAARM NS(=O)(=O)c1c(Sc2ccccc2C(=O)[O-])ccc2ccccc21 ZINC000000690024 210262333 /nfs/dbraw/zinc/26/23/33/210262333.db2.gz CJWCCIBBLIHEJO-UHFFFAOYSA-N -1 0 359.428 3.337 50 0 FGAARM CCc1ccc(N2C(=O)C(Cl)=C(Nc3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000000703396 210262374 /nfs/dbraw/zinc/26/23/74/210262374.db2.gz PXETYNHWUXNCGL-UHFFFAOYSA-N -1 0 370.792 3.383 50 0 FGAARM COc1ccc(-c2cc(C(=O)N[C@@H](C(=O)[O-])C(C)C)c(C)o2)cc1OC ZINC000000667364 210259260 /nfs/dbraw/zinc/25/92/60/210259260.db2.gz AKCBWAIVHWCMPG-QGZVFWFLSA-N -1 0 361.394 3.111 50 0 FGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccccc2Br)cc1 ZINC000001117110 219372304 /nfs/dbraw/zinc/37/23/04/219372304.db2.gz IUUDDFIVPRFAJR-UHFFFAOYSA-N -1 0 353.237 3.414 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1Br ZINC000001126235 219375966 /nfs/dbraw/zinc/37/59/66/219375966.db2.gz ILDRBFUVIHMMAF-UHFFFAOYSA-N -1 0 372.240 3.267 50 0 FGAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000236822530 222903939 /nfs/dbraw/zinc/90/39/39/222903939.db2.gz XMJSGDAOXWSYSN-LPHOPBHVSA-N -1 0 370.449 3.054 50 0 FGAARM O=C([O-])CN(C(=O)CCc1cccc(Cl)c1Cl)C1CCOCC1 ZINC000238097496 222914095 /nfs/dbraw/zinc/91/40/95/222914095.db2.gz GUCCAXUZZJUFKS-UHFFFAOYSA-N -1 0 360.237 3.018 50 0 FGAARM CCS(=O)(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCCC2)cc1 ZINC000010829163 219911498 /nfs/dbraw/zinc/91/14/98/219911498.db2.gz PKTFQWLZJQULGV-UHFFFAOYSA-N -1 0 367.467 3.234 50 0 FGAARM Cn1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2cccc(F)c2)cn1 ZINC000061718653 212024891 /nfs/dbraw/zinc/02/48/91/212024891.db2.gz QSKVCDGOLQVDQM-LBPRGKRZSA-N -1 0 371.393 3.460 50 0 FGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccc(Cl)cc3F)c1)CCC2 ZINC000058377382 212008231 /nfs/dbraw/zinc/00/82/31/212008231.db2.gz RRLKNIUVHFBPBN-UHFFFAOYSA-N -1 0 369.801 3.467 50 0 FGAARM COc1cc(/C=C/c2ncc(C(=O)[O-])s2)cc(Br)c1O ZINC000058391901 212008334 /nfs/dbraw/zinc/00/83/34/212008334.db2.gz BKJTZUWWSHMEEB-NSCUHMNNSA-N -1 0 356.197 3.488 50 0 FGAARM O=C([O-])c1ccc(CNC(=O)c2cc(F)ccc2Br)cc1 ZINC000013261617 220062128 /nfs/dbraw/zinc/06/21/28/220062128.db2.gz UUUZOHFOAWOJDO-UHFFFAOYSA-N -1 0 352.159 3.216 50 0 FGAARM COc1ccc(S(=O)(=O)Nc2cc3ccccc3cc2C(=O)[O-])cc1 ZINC000013262984 220062542 /nfs/dbraw/zinc/06/25/42/220062542.db2.gz UWBWIKYMONXBKF-UHFFFAOYSA-N -1 0 357.387 3.347 50 0 FGAARM O=C([O-])C[C@H]1CN(C(=O)C[C@H](Cc2ccccc2)c2ccccc2)CCO1 ZINC000299751041 211835605 /nfs/dbraw/zinc/83/56/05/211835605.db2.gz PHDWYTMHYNBXHX-PMACEKPBSA-N -1 0 367.445 3.105 50 0 FGAARM Cc1ccc([C@@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017041158 220199735 /nfs/dbraw/zinc/19/97/35/220199735.db2.gz JIYOWBWYOHODME-GUTXKFCHSA-N -1 0 358.467 3.003 50 0 FGAARM Cc1ccc([C@H](c2sc3ncnn3c2[O-])N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000017041160 220200972 /nfs/dbraw/zinc/20/09/72/220200972.db2.gz JIYOWBWYOHODME-VNHYZAJKSA-N -1 0 358.467 3.003 50 0 FGAARM Cc1ccc(-c2csc(NC(=O)c3c(C(=O)[O-])cnn3C)n2)c(C)c1 ZINC000020614639 211290293 /nfs/dbraw/zinc/29/02/93/211290293.db2.gz QGGVDKKIEQOAKM-UHFFFAOYSA-N -1 0 356.407 3.111 50 0 FGAARM CC[C@H](CNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)c1ccccc1 ZINC000018153615 211191619 /nfs/dbraw/zinc/19/16/19/211191619.db2.gz HJGIUCIAOXIQDJ-CYBMUJFWSA-N -1 0 367.474 3.146 50 0 FGAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1sccc1C(=O)N1CCCCC1 ZINC000017074919 211178097 /nfs/dbraw/zinc/17/80/97/211178097.db2.gz VQZWPWMVAPRKKJ-OLZOCXBDSA-N -1 0 364.467 3.204 50 0 FGAARM Cc1cc(C(=O)OC(C)C)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000017073187 211177737 /nfs/dbraw/zinc/17/77/37/211177737.db2.gz KCDXUJUGJXTRCV-NWDGAFQWSA-N -1 0 353.440 3.451 50 0 FGAARM COC(=O)c1c(C)c(C)sc1NC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000017075077 211177213 /nfs/dbraw/zinc/17/72/13/211177213.db2.gz HKYBCLAHDXFLDA-QUINOFQRSA-N -1 0 365.451 3.227 50 0 FGAARM O=S(=O)([N-]c1ccn(Cc2ccccc2)n1)c1ccc(Cl)s1 ZINC000014231392 211087611 /nfs/dbraw/zinc/08/76/11/211087611.db2.gz VSHHGEPJIMISFE-UHFFFAOYSA-N -1 0 353.856 3.447 50 0 FGAARM Cc1ccc(-c2nc(C(=O)[N-]n3cnc4sccc4c3=O)cs2)cc1 ZINC000014198098 211083163 /nfs/dbraw/zinc/08/31/63/211083163.db2.gz CBOGSXDAIBXMGR-UHFFFAOYSA-N -1 0 368.443 3.274 50 0 FGAARM O=C([O-])c1ccccc1SCC(=O)Nc1cc2c(cc1Cl)OCO2 ZINC000012937373 211010479 /nfs/dbraw/zinc/01/04/79/211010479.db2.gz MELOGIDFWDYLCN-UHFFFAOYSA-N -1 0 365.794 3.498 50 0 FGAARM COc1ccccc1C(=O)[N-]C(=O)COc1ccc(Cl)cc1Cl ZINC000012930803 211009064 /nfs/dbraw/zinc/00/90/64/211009064.db2.gz KLXCNGHYOOZJPQ-UHFFFAOYSA-N -1 0 354.189 3.337 50 0 FGAARM O=c1nc(CN2CCC(O)CC2)[n-]c2cc(-c3ccc(F)cc3)sc21 ZINC000012921887 211008861 /nfs/dbraw/zinc/00/88/61/211008861.db2.gz NYXRJUXYQSCQKH-UHFFFAOYSA-N -1 0 359.426 3.160 50 0 FGAARM COC(=O)c1c(NC(=O)CCC(=O)[O-])sc(C)c1-c1ccc(F)cc1 ZINC000006184231 210661165 /nfs/dbraw/zinc/66/11/65/210661165.db2.gz VXFACWXNMXXXGD-UHFFFAOYSA-N -1 0 365.382 3.453 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000003830713 210494961 /nfs/dbraw/zinc/49/49/61/210494961.db2.gz XEYBRNLFEZDVAW-ARSRFYASSA-N -1 0 352.471 3.251 50 0 endogenous,fda FGAARM O=c1c(-c2n[n-]c(=S)o2)cccn1Cc1cccc(C(F)(F)F)c1 ZINC000003133768 210452578 /nfs/dbraw/zinc/45/25/78/210452578.db2.gz CPALZRRABUPTDC-UHFFFAOYSA-N -1 0 353.325 3.254 50 0 FGAARM O=C([O-])CSC(NC(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F ZINC000002260856 210386112 /nfs/dbraw/zinc/38/61/12/210386112.db2.gz RWBKTPPPRURFNG-UHFFFAOYSA-N -1 0 361.263 3.055 50 0 FGAARM CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000001010582 210301666 /nfs/dbraw/zinc/30/16/66/210301666.db2.gz LDILJWQNDQCYHH-UHFFFAOYSA-N -1 0 357.406 3.465 50 0 FGAARM Cc1ccc(S(=O)(=O)C=C([O-])c2ccc(Br)cc2)cc1 ZINC000001043960 210307571 /nfs/dbraw/zinc/30/75/71/210307571.db2.gz JGMRIHQYBXLTGM-UHFFFAOYSA-N -1 0 353.237 3.414 50 0 FGAARM COc1cc(OC)c([N-]S(=O)(=O)c2cccnc2Cl)cc1Cl ZINC000022408550 220385386 /nfs/dbraw/zinc/38/53/86/220385386.db2.gz MZHGLQITPPWFDD-UHFFFAOYSA-N -1 0 363.222 3.206 50 0 FGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2ccc(Br)s2)C1 ZINC000062913544 221141073 /nfs/dbraw/zinc/14/10/73/221141073.db2.gz MJKVJQMGXYCJBH-CQSZACIVSA-N -1 0 360.273 3.157 50 0 FGAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccc(C(C)C)cc2)s1 ZINC000065183626 221175865 /nfs/dbraw/zinc/17/58/65/221175865.db2.gz PDQIMFXRUGYRTR-UHFFFAOYSA-N -1 0 350.469 3.332 50 0 FGAARM CCc1cccc([N-]S(=O)(=O)c2c(C)n(C)c(C)c2-c2nnc(C)o2)c1 ZINC000065194099 221177477 /nfs/dbraw/zinc/17/74/77/221177477.db2.gz OKBBIIDLIQUUNZ-UHFFFAOYSA-N -1 0 374.466 3.364 50 0 FGAARM CCOc1ccc2nc(NC(=O)Cc3c(C(=O)[O-])c(C)cn3C)sc2c1 ZINC000064980577 221161765 /nfs/dbraw/zinc/16/17/65/221161765.db2.gz MTULWWRKZBVMBS-UHFFFAOYSA-N -1 0 373.434 3.221 50 0 FGAARM CC(=O)N[C@@H]1C[C@H](Cc2ccccc2)O[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000065398034 221211698 /nfs/dbraw/zinc/21/16/98/221211698.db2.gz HTDPUNAYMZEFDA-AABGKKOBSA-N -1 0 353.418 3.352 50 0 FGAARM 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FGAARM CCn1nc(C(C)C)cc1C(=O)N1CCc2ccccc2[C@@H]1CC(=O)[O-] ZINC000095521844 221948821 /nfs/dbraw/zinc/94/88/21/221948821.db2.gz WHCURJYDXUQEOM-KRWDZBQOSA-N -1 0 355.438 3.241 50 0 FGAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCc2ccc(F)cc2)Cc2cccnc2)C1 ZINC000097759303 222210852 /nfs/dbraw/zinc/21/08/52/222210852.db2.gz OHGUKGHYQFWNAH-ZWKOTPCHSA-N -1 0 370.424 3.293 50 0 FGAARM O=C(Nc1ccc(F)c(F)c1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613745 222248440 /nfs/dbraw/zinc/24/84/40/222248440.db2.gz DPUYSSYGFODXKW-UHFFFAOYSA-N -1 0 356.328 3.184 50 0 FGAARM COc1ccc(C(=O)C(C)=C([O-])c2ccc(OC)c(OC)c2)cc1OC ZINC000100802052 222254070 /nfs/dbraw/zinc/25/40/70/222254070.db2.gz OEAUUUDSJCPUBJ-UHFFFAOYSA-N -1 0 358.390 3.423 50 0 FGAARM CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101417702 222274110 /nfs/dbraw/zinc/27/41/10/222274110.db2.gz GUVZIEUHAYUEHQ-QZTJIDSGSA-N -1 0 366.396 3.443 50 0 FGAARM CSc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)cc4)c(=O)c2=3)cc1 ZINC000101417472 222274395 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COc1cccc(Cn2cnc3c2cc(C)c(C)c3[N-]S(C)(=O)=O)c1 ZINC000003133400 493831035 /nfs/dbraw/zinc/83/10/35/493831035.db2.gz YESIKXPBKBZVFZ-UHFFFAOYSA-N -1 0 359.451 3.082 50 0 FGAARM Cc1cc(C)c(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1C ZINC000003267942 493835357 /nfs/dbraw/zinc/83/53/57/493835357.db2.gz OSUKPZFWKIPYLF-SFHVURJKSA-N -1 0 373.474 3.120 50 0 FGAARM Cc1cc(C)cc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c1 ZINC000004381429 493875531 /nfs/dbraw/zinc/87/55/31/493875531.db2.gz MVPYRNAORCHANT-MRXNPFEDSA-N -1 0 355.415 3.426 50 0 FGAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3ccccc3F)n2)cc1 ZINC000004478204 493877082 /nfs/dbraw/zinc/87/70/82/493877082.db2.gz UAXCQFWZRNFFKO-VMPITWQZSA-N -1 0 370.409 3.169 50 0 FGAARM CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)OC)C1 ZINC000004628811 493884835 /nfs/dbraw/zinc/88/48/35/493884835.db2.gz LFLBBHBLOHFAHL-JTQLQIEISA-N -1 0 353.440 3.243 50 0 FGAARM CCOc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1 ZINC000004957336 493903449 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O=S(=O)([O-])c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 ZINC000006143752 493953024 /nfs/dbraw/zinc/95/30/24/493953024.db2.gz BEIHTPRCQLCLLS-UHFFFAOYSA-N -1 0 353.197 3.239 50 0 FGAARM O=C([O-])C1[C@@H](c2ccccc2)C(C(=O)OCCCCO)[C@@H]1c1ccccc1 ZINC000006241749 493955534 /nfs/dbraw/zinc/95/55/34/493955534.db2.gz BTHQPGCSLMVFDA-UVHRUJRTSA-N -1 0 368.429 3.200 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)c(NC(C)=O)c1 ZINC000006623318 493971351 /nfs/dbraw/zinc/97/13/51/493971351.db2.gz RWQUDZYYNCMFLD-UHFFFAOYSA-N -1 0 354.815 3.108 50 0 FGAARM CC(C)n1ncc2cc([N-]S(=O)(=O)c3cc(F)cc(F)c3)cnc21 ZINC000032097983 493974949 /nfs/dbraw/zinc/97/49/49/493974949.db2.gz MOIWJNLKHVBRQJ-UHFFFAOYSA-N -1 0 352.366 3.091 50 0 FGAARM CC1=C[C@@](O)(C(F)(F)F)N(C(=O)c2cc(Cl)c([O-])c(Cl)c2)N1 ZINC000006849409 493983313 /nfs/dbraw/zinc/98/33/13/493983313.db2.gz VJNANZCAAUPTBO-LLVKDONJSA-N -1 0 357.115 3.172 50 0 FGAARM COc1cc(OC)c([N-]S(=O)(=O)c2ccc(F)cc2F)cc1Cl ZINC000007381460 494019437 /nfs/dbraw/zinc/01/94/37/494019437.db2.gz DZWPVYZRDGWYOT-UHFFFAOYSA-N -1 0 363.769 3.436 50 0 FGAARM Cc1nn(-c2ccccc2)c2[n-]cc(C(=O)N3CCc4ccccc43)c(=O)c12 ZINC000007424003 494021785 /nfs/dbraw/zinc/02/17/85/494021785.db2.gz HOEARVVKLSPSJY-UHFFFAOYSA-N -1 0 370.412 3.225 50 0 FGAARM CCc1nc2[n-]c(C)nn2c(=O)c1NC(=O)Nc1ccc(F)c(Cl)c1 ZINC000033266184 494054929 /nfs/dbraw/zinc/05/49/29/494054929.db2.gz PMXRCKWPYYODPZ-UHFFFAOYSA-N -1 0 364.768 3.137 50 0 FGAARM Cc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(Cl)cc2F)cc1 ZINC000007986224 494059134 /nfs/dbraw/zinc/05/91/34/494059134.db2.gz OEPJCBNNDVVSLM-CQSZACIVSA-N -1 0 371.817 3.282 50 0 FGAARM CCCOc1ccc(-c2nnc(CCC(=O)NCCC(C)C)c(=O)[n-]2)cc1 ZINC000034763806 494067656 /nfs/dbraw/zinc/06/76/56/494067656.db2.gz HSVOBVXMCQCCML-UHFFFAOYSA-N -1 0 372.469 3.128 50 0 FGAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(OCC(C)C)cc2)[n-]c1=O ZINC000034763898 494068063 /nfs/dbraw/zinc/06/80/63/494068063.db2.gz OMVWOICMTUNNHH-CQSZACIVSA-N -1 0 372.469 3.126 50 0 FGAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(O)c1 ZINC000008132496 494070605 /nfs/dbraw/zinc/07/06/05/494070605.db2.gz IUGHMJYBSQUICA-UHFFFAOYSA-N -1 0 372.240 3.354 50 0 FGAARM Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N3CCCC3)cs2)c1 ZINC000035449102 494077635 /nfs/dbraw/zinc/07/76/35/494077635.db2.gz GURLSNGJXBFNGG-UHFFFAOYSA-N -1 0 350.465 3.093 50 0 FGAARM CN(Cc1cn(-c2ccccc2)nc1-c1cccs1)C(=O)CCC(=O)[O-] ZINC000008429670 494090612 /nfs/dbraw/zinc/09/06/12/494090612.db2.gz GGVRJLICMRENCM-UHFFFAOYSA-N -1 0 369.446 3.424 50 0 FGAARM COc1ccc(-n2c(SCC(=O)[O-])nnc2-c2ccc(C)cc2)cc1 ZINC000036724636 494096589 /nfs/dbraw/zinc/09/65/89/494096589.db2.gz NKLLXTYBRVUZCR-UHFFFAOYSA-N -1 0 355.419 3.428 50 0 FGAARM COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000085344965 494115473 /nfs/dbraw/zinc/11/54/73/494115473.db2.gz JTMRKKXIZPTQSK-OAHLLOKOSA-N -1 0 358.419 3.299 50 0 FGAARM CC[C@@H](C)[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)[O-] ZINC000011865967 494194812 /nfs/dbraw/zinc/19/48/12/494194812.db2.gz 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222115259 /nfs/dbraw/zinc/11/52/59/222115259.db2.gz IQHOQEOFLOARLI-UHFFFAOYSA-N -1 0 366.830 3.390 50 0 FGAARM Cc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(Cl)cc2)n1 ZINC000096379742 222117218 /nfs/dbraw/zinc/11/72/18/222117218.db2.gz IBUFUXBFBKQXIK-UHFFFAOYSA-N -1 0 366.830 3.444 50 0 FGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(-c3cc(C)[nH]n3)oc2C)cc1 ZINC000096386738 222118307 /nfs/dbraw/zinc/11/83/07/222118307.db2.gz BPOITCTWFDIUMX-UHFFFAOYSA-N -1 0 374.422 3.046 50 0 FGAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)Nc2cccc(Cl)c2F)cc1 ZINC000096736586 222129036 /nfs/dbraw/zinc/12/90/36/222129036.db2.gz JPJRCTQSBQPCNX-TWGQIWQCSA-N -1 0 355.774 3.378 50 0 FGAARM CCn1c2ccccc2c([O-])c(C(=O)NCCCc2ccccc2)c1=O ZINC000100621162 222247602 /nfs/dbraw/zinc/24/76/02/222247602.db2.gz JEEWVPIJQVXAQA-UHFFFAOYSA-N -1 0 350.418 3.090 50 0 FGAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4Cl)c(=O)c2=3)c1 ZINC000101168653 222265203 /nfs/dbraw/zinc/26/52/03/222265203.db2.gz UCZVHEAWABXTCR-CVEARBPZSA-N -1 0 354.797 3.142 50 0 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3.162 50 0 FGAARM O=C([O-])c1ccnc(-c2ccnc(NCc3cc(F)c(F)cc3F)n2)c1 ZINC000077303716 494051629 /nfs/dbraw/zinc/05/16/29/494051629.db2.gz NZUWMQRZEGVINM-UHFFFAOYSA-N -1 0 360.295 3.266 50 0 FGAARM CCN(CC)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000033253632 494054953 /nfs/dbraw/zinc/05/49/53/494054953.db2.gz KOBPGXVIWZRSIH-UHFFFAOYSA-N -1 0 366.414 3.171 50 0 FGAARM CC(C)COC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000063640189 494072889 /nfs/dbraw/zinc/07/28/89/494072889.db2.gz GYDWMTGSXJTPFB-JKSUJKDBSA-N -1 0 360.410 3.497 50 0 FGAARM C[C@H](CNc1nccc(-c2cc(C(=O)[O-])ccn2)n1)N(C)c1ccccc1 ZINC000077424764 494081133 /nfs/dbraw/zinc/08/11/33/494081133.db2.gz RVNSNZDRHKDEGI-CQSZACIVSA-N -1 0 363.421 3.174 50 0 FGAARM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1C(C)(C)C ZINC000008714941 494100745 /nfs/dbraw/zinc/10/07/45/494100745.db2.gz BXALUSGXYIVLCZ-UHFFFAOYSA-N -1 0 363.435 3.492 50 0 FGAARM COc1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)nc3)sc2c1 ZINC000008997056 494112084 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CSc1cc(C(=O)[O-])ccc1NS(=O)(=O)c1ccc(F)cc1C ZINC000042675157 494237225 /nfs/dbraw/zinc/23/72/25/494237225.db2.gz NXKVUPNVPDSXAC-UHFFFAOYSA-N -1 0 355.412 3.355 50 0 FGAARM CC(C)(C)OC(=O)N1CCN([C@H](/C=C/C2CCCCC2)C(=O)[O-])CC1 ZINC000043763959 494318013 /nfs/dbraw/zinc/31/80/13/494318013.db2.gz ALAMTNODLVYHHG-ZNFPLGDCSA-N -1 0 352.475 3.129 50 0 FGAARM Cc1c(Cl)cccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000078824120 494368669 /nfs/dbraw/zinc/36/86/69/494368669.db2.gz AKSLLIXCIHZAKD-GFCCVEGCSA-N -1 0 351.811 3.026 50 0 FGAARM Cc1cc(C)cc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c1 ZINC000019925021 494464535 /nfs/dbraw/zinc/46/45/35/494464535.db2.gz MVPYRNAORCHANT-INIZCTEOSA-N -1 0 355.415 3.426 50 0 FGAARM COc1ccc(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)cc1C ZINC000091306131 494579722 /nfs/dbraw/zinc/57/97/22/494579722.db2.gz OOHNVEFLMXXCNJ-DLBZAZTESA-N -1 0 357.381 3.083 50 0 FGAARM COc1ccc(-c2cn([C@H](C)c3nc4ccccc4[nH]3)nn2)cc1C(=O)[O-] ZINC000091586597 494620761 /nfs/dbraw/zinc/62/07/61/494620761.db2.gz BUNUJOKRYAQBRR-LLVKDONJSA-N -1 0 363.377 3.138 50 0 FGAARM O=S(=O)([N-]c1cccc(Oc2cnccn2)c1)c1cc(F)ccc1F ZINC000024576196 494642731 /nfs/dbraw/zinc/64/27/31/494642731.db2.gz DXLBZGWYYNLWHH-UHFFFAOYSA-N -1 0 363.345 3.348 50 0 FGAARM COCc1ccc(C(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)s1 ZINC000091997646 494747941 /nfs/dbraw/zinc/74/79/41/494747941.db2.gz PUYOVWUVEJEKAN-JKSUJKDBSA-N -1 0 359.447 3.143 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000027639259 494878890 /nfs/dbraw/zinc/87/88/90/494878890.db2.gz BHMBVRSPMRCCGG-FEPZOTTPSA-N -1 0 352.471 3.251 50 0 FGAARM CC(C)c1ccc([C@@H](C(=O)[O-])N2CCN(Cc3cccnc3)CC2)cc1 ZINC000095358713 494963231 /nfs/dbraw/zinc/96/32/31/494963231.db2.gz PHKNGVFXNGKNJG-FQEVSTJZSA-N -1 0 353.466 3.149 50 0 FGAARM CCOc1ccccc1OC1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000095424327 494974946 /nfs/dbraw/zinc/97/49/46/494974946.db2.gz SCVKEQHKRGKIAG-UHFFFAOYSA-N -1 0 369.417 3.467 50 0 FGAARM COc1cc(C(=O)[O-])cc(NC(=O)Cc2c(F)cccc2Cl)c1OC ZINC000095424839 494974951 /nfs/dbraw/zinc/97/49/51/494974951.db2.gz BUDGKURHJHXRRF-UHFFFAOYSA-N -1 0 367.760 3.376 50 0 FGAARM O=C([O-])c1ccc(-n2ncc3c2NC(=O)CS[C@H]3c2cccnc2)cc1 ZINC000095476038 494979627 /nfs/dbraw/zinc/97/96/27/494979627.db2.gz MOTUXNNSBWLAKN-INIZCTEOSA-N -1 0 366.402 3.390 50 0 FGAARM CC(C)Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2cccc(Cl)c2)n(C)n1 ZINC000095510762 494983633 /nfs/dbraw/zinc/98/36/33/494983633.db2.gz FNZBSZIJQCHWPQ-HNNXBMFYSA-N -1 0 363.845 3.218 50 0 FGAARM CC(C)c1cc(C(=O)NC[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)n(C)n1 ZINC000095530756 494988408 /nfs/dbraw/zinc/98/84/08/494988408.db2.gz JCDHAUNZQWUFPL-CYBMUJFWSA-N -1 0 363.845 3.185 50 0 FGAARM Cc1cc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)c2ccc(F)cc2n1 ZINC000095969965 494992952 /nfs/dbraw/zinc/99/29/52/494992952.db2.gz JTEIMUQPFJLBFU-UHFFFAOYSA-N -1 0 364.376 3.034 50 0 FGAARM Cc1ccc(C(=O)c2ccccc2C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000095969497 494993251 /nfs/dbraw/zinc/99/32/51/494993251.db2.gz GTRRSTNSBQEUHT-MRXNPFEDSA-N -1 0 351.402 3.163 50 0 FGAARM O=C([O-])c1cccnc1SCc1cn2cc(Br)ccc2n1 ZINC000169294342 496715887 /nfs/dbraw/zinc/71/58/87/496715887.db2.gz IYHSQNKRTPJXFO-UHFFFAOYSA-N -1 0 364.224 3.482 50 0 FGAARM CCOc1cc(C(=O)N2CC[C@H](c3ccccc3)C2)ccc1OCC(=O)[O-] ZINC000268889643 496815109 /nfs/dbraw/zinc/81/51/09/496815109.db2.gz HUFKJQAROGNKPU-KRWDZBQOSA-N -1 0 369.417 3.178 50 0 FGAARM O=C([O-])COc1ccc(Cl)cc1CN1CC(Oc2ccc(F)cc2)C1 ZINC000215915428 496985133 /nfs/dbraw/zinc/98/51/33/496985133.db2.gz IBWDTVOKQGVMRS-UHFFFAOYSA-N -1 0 365.788 3.206 50 0 FGAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)CCC2CCCC2)cc1 ZINC000222586680 497025465 /nfs/dbraw/zinc/02/54/65/497025465.db2.gz XMLYECJPWJNRFO-QZTJIDSGSA-N -1 0 361.438 3.008 50 0 FGAARM CC(C)c1ccc(-c2nc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cs2)cc1 ZINC000236850485 497156487 /nfs/dbraw/zinc/15/64/87/497156487.db2.gz XBFMLBRYIDKIPL-HNNXBMFYSA-N -1 0 374.462 3.249 50 0 FGAARM CCOc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)[O-])cs2)cc1OC ZINC000236872900 497160182 /nfs/dbraw/zinc/16/01/82/497160182.db2.gz FEYQKAWGUUUNSZ-CQSZACIVSA-N -1 0 362.451 3.266 50 0 FGAARM Cc1cc(C(=O)CCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c(C)s1 ZINC000192859946 497232395 /nfs/dbraw/zinc/23/23/95/497232395.db2.gz JWWHHZUBNAXDBD-KRWDZBQOSA-N -1 0 371.458 3.366 50 0 FGAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)C1 ZINC000237644447 497267520 /nfs/dbraw/zinc/26/75/20/497267520.db2.gz AAUBFFDOYYPQLZ-GOSISDBHSA-N -1 0 362.813 3.251 50 0 FGAARM Cc1ccccc1-c1nc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)cs1 ZINC000237701032 497278037 /nfs/dbraw/zinc/27/80/37/497278037.db2.gz YLWNHMMKEKOLHF-AWEZNQCLSA-N -1 0 374.462 3.214 50 0 FGAARM Cc1cc2occ(CC(=O)N(CCC(=O)[O-])C3CCOCC3)c2cc1C ZINC000237913504 497314259 /nfs/dbraw/zinc/31/42/59/497314259.db2.gz QEUOFPJQCHWGGS-UHFFFAOYSA-N -1 0 359.422 3.074 50 0 FGAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc(C(=O)c2cc[nH]c2)cc1 ZINC000237939547 497317248 /nfs/dbraw/zinc/31/72/48/497317248.db2.gz FARDRWMVKUNLBR-KRWDZBQOSA-N -1 0 354.406 3.105 50 0 FGAARM O=C([O-])c1cccc(C(=O)N2CCC([C@H](O)c3ccc(F)cc3)CC2)c1 ZINC000237993635 497325179 /nfs/dbraw/zinc/32/51/79/497325179.db2.gz WDFLAXMTOKIPCE-GOSISDBHSA-N -1 0 357.381 3.110 50 0 FGAARM O=C([O-])CCN(C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1Cl)C1CCOCC1 ZINC000238067472 497335019 /nfs/dbraw/zinc/33/50/19/497335019.db2.gz MCIMZKLZDSNGNL-QWHCGFSZSA-N -1 0 369.820 3.065 50 0 FGAARM Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000263020589 497683586 /nfs/dbraw/zinc/68/35/86/497683586.db2.gz MBXWGAVFPKXZFT-CABCVRRESA-N -1 0 357.406 3.103 50 0 FGAARM Cc1ccc2nc(-c3cccnc3)cc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2c1 ZINC000408513512 499591682 /nfs/dbraw/zinc/59/16/82/499591682.db2.gz FNNWGDNMIXPMIA-HNNXBMFYSA-N -1 0 361.401 3.152 50 0 FGAARM O=C([O-])Cc1cc(Br)c(OC(F)F)c(Br)c1 ZINC000263623101 534506289 /nfs/dbraw/zinc/50/62/89/534506289.db2.gz DQROWPWOGUTQBT-UHFFFAOYSA-N -1 0 359.948 3.440 50 0 FGAARM Cc1oc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccc(C)cc2)cc1C(=O)[O-] ZINC000299752177 534544935 /nfs/dbraw/zinc/54/49/35/534544935.db2.gz STEFOWBWSIHCNT-AEFFLSMTSA-N -1 0 357.406 3.379 50 0 FGAARM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc(Br)cc1 ZINC000157068077 525169842 /nfs/dbraw/zinc/16/98/42/525169842.db2.gz UVJIISQDDCKQAQ-LEWSCRJBSA-N -1 0 352.228 3.293 50 0 FGAARM Cc1noc2nc(C3CC3)cc(C(=O)N(C)Cc3cc(C(=O)[O-])c(C)o3)c12 ZINC000268940212 526681557 /nfs/dbraw/zinc/68/15/57/526681557.db2.gz RCCFXHUIWJMJEJ-UHFFFAOYSA-N -1 0 369.377 3.280 50 0 FGAARM CC(C)(C)n1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cc1C1CC1 ZINC000299359046 526935581 /nfs/dbraw/zinc/93/55/81/526935581.db2.gz MEXVMCHTJZZQFG-UNEWFSDZSA-N -1 0 359.470 3.373 50 0 FGAARM O=C([O-])C[C@@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 ZINC000238128612 527624821 /nfs/dbraw/zinc/62/48/21/527624821.db2.gz RFUCAGIORNXEBX-MSOLQXFVSA-N -1 0 357.381 3.162 50 0 FGAARM CC(C)n1ncc2cc(C(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)cnc21 ZINC000653329837 570618313 /nfs/dbraw/zinc/61/83/13/570618313.db2.gz ZXKNKKJTQZRMOC-IRXDYDNUSA-N -1 0 364.405 3.055 50 0 FGAARM CC(=O)OCc1ccc(C)c([N-]S(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000084187893 571078687 /nfs/dbraw/zinc/07/86/87/571078687.db2.gz OOJAWOOZQZSCEH-UHFFFAOYSA-N -1 0 369.389 3.446 50 0 FGAARM O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1c([O-])cc(F)cc1F ZINC000084501648 571086865 /nfs/dbraw/zinc/08/68/65/571086865.db2.gz MERYDIBSQNCDAD-CYBMUJFWSA-N -1 0 361.266 3.153 50 0 FGAARM C[C@H](NC(=O)c1c([O-])cc(F)cc1F)c1ccc(N2CCOC2=O)cc1 ZINC000084651558 571094737 /nfs/dbraw/zinc/09/47/37/571094737.db2.gz ARHMYAROJJSWDJ-JTQLQIEISA-N -1 0 362.332 3.118 50 0 FGAARM CCOC(=O)N=c1[n-]nc(SCC(=O)NC2CCCCCCC2)s1 ZINC000084794449 571100402 /nfs/dbraw/zinc/10/04/02/571100402.db2.gz NUXMGGRSBIZMPA-UHFFFAOYSA-N -1 0 372.516 3.428 50 0 FGAARM CC(C)[S@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000236702709 571122045 /nfs/dbraw/zinc/12/20/45/571122045.db2.gz AUMFVTSZVWVGTD-MYYSRTQBSA-N -1 0 351.468 3.062 50 0 FGAARM O=C([O-])[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@H]1CCCO1 ZINC000231339070 571147198 /nfs/dbraw/zinc/14/71/98/571147198.db2.gz NWZCCBGVDITGSW-MOPGFXCFSA-N -1 0 367.401 3.157 50 0 FGAARM CC(C)n1ncc2cc(C(=O)N[C@@H](CC(=O)[O-])c3cccs3)cnc21 ZINC000648047720 718396305 /nfs/dbraw/zinc/39/63/05/718396305.db2.gz ANKZLZWXQSVKGL-ZDUSSCGKSA-N -1 0 358.423 3.020 50 0 FGAARM O=C([O-])COc1ccc(NC(=O)c2cccc(Br)c2)cc1 ZINC000000450478 219304984 /nfs/dbraw/zinc/30/49/84/219304984.db2.gz GKKYWGDOFHCGBK-UHFFFAOYSA-N -1 0 350.168 3.165 50 0 FGAARM COc1cc(/C=C2\C(=O)[N-]N(c3ccc(C)cc3)C2=O)cc(Cl)c1OC ZINC000000666496 219311436 /nfs/dbraw/zinc/31/14/36/219311436.db2.gz RXQRRHRTYJKOPT-RIYZIHGNSA-N -1 0 372.808 3.127 50 0 FGAARM COc1cccc(C2=NN(C(=O)CCC(=O)[O-])[C@H](c3cccs3)C2)c1 ZINC000000801921 219323726 /nfs/dbraw/zinc/32/37/26/219323726.db2.gz YUXPGTGAGXSMEA-HNNXBMFYSA-N -1 0 358.419 3.299 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cccc(Br)c2)cc1 ZINC000000862284 219333605 /nfs/dbraw/zinc/33/36/05/219333605.db2.gz BYYIWTATONSZIH-UHFFFAOYSA-N -1 0 369.240 3.268 50 0 FGAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccccc2Cl)cc1OC ZINC000000969808 219347735 /nfs/dbraw/zinc/34/77/35/219347735.db2.gz JCEKZRPNHVXRGK-AWEZNQCLSA-N -1 0 363.797 3.303 50 0 FGAARM O=C(Nc1cccnc1)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000001243044 219393012 /nfs/dbraw/zinc/39/30/12/219393012.db2.gz PURPYYAUSZQBOG-UHFFFAOYSA-N -1 0 371.396 3.403 50 0 FGAARM Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237652435 222910078 /nfs/dbraw/zinc/91/00/78/222910078.db2.gz UUFBKOYTBFNJLJ-SFHVURJKSA-N -1 0 362.426 3.118 50 0 FGAARM CCN(C(=O)Cc1c2ccccc2[nH]c1C(=O)[O-])c1ccc(OC)cc1 ZINC000003906759 219531324 /nfs/dbraw/zinc/53/13/24/219531324.db2.gz HWGHBYRFOVIOHV-UHFFFAOYSA-N -1 0 352.390 3.470 50 0 FGAARM CC(C)CNc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccccc1 ZINC000005017252 219640603 /nfs/dbraw/zinc/64/06/03/219640603.db2.gz OYMDVKLHCMBKFM-UHFFFAOYSA-N -1 0 356.451 3.499 50 0 FGAARM CCOc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000005497982 219684542 /nfs/dbraw/zinc/68/45/42/219684542.db2.gz CTQKWSMSWVHAAY-UHFFFAOYSA-N -1 0 363.826 3.483 50 0 FGAARM Cc1cc(=O)oc2c1ccc1c2CN(Cc2ccc(C(=O)[O-])cc2)CO1 ZINC000006817738 219774674 /nfs/dbraw/zinc/77/46/74/219774674.db2.gz PHMRCLQRVOKUQE-UHFFFAOYSA-N -1 0 351.358 3.152 50 0 FGAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ncoc1-c1cccs1 ZINC000299750160 223080671 /nfs/dbraw/zinc/08/06/71/223080671.db2.gz MQVPUJMHWJVFCX-ZDUSSCGKSA-N -1 0 354.387 3.055 50 0 FGAARM COc1ccc(C(C)C)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCCO2 ZINC000012382905 219987555 /nfs/dbraw/zinc/98/75/55/219987555.db2.gz CHLDOPAACSNPDA-UHFFFAOYSA-N -1 0 363.435 3.391 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2Sc2nncn2C)s1 ZINC000012521014 220001676 /nfs/dbraw/zinc/00/16/76/220001676.db2.gz DSQDPPCBNJMMQY-UHFFFAOYSA-N -1 0 366.493 3.137 50 0 FGAARM O=C([O-])c1sccc1S(=O)(=O)N[C@@H]1CCSc2c(F)cccc21 ZINC000012821858 220033617 /nfs/dbraw/zinc/03/36/17/220033617.db2.gz UCHCOLZQBNOIIB-SNVBAGLBSA-N -1 0 373.452 3.101 50 0 FGAARM O=C(CCSCc1ccc(C(=O)[O-])cc1)Nc1ccc2c(c1)OCO2 ZINC000012925227 220044106 /nfs/dbraw/zinc/04/41/06/220044106.db2.gz DJSOMEJHNQWCRT-UHFFFAOYSA-N -1 0 359.403 3.376 50 0 FGAARM CN(CC(=O)Nc1ccccc1Cl)Cc1nc(=O)c2sccc2[n-]1 ZINC000012952025 220046728 /nfs/dbraw/zinc/04/67/28/220046728.db2.gz YLXFWXKVYQDEHL-UHFFFAOYSA-N -1 0 362.842 3.121 50 0 FGAARM COc1ccccc1OCCSc1nnc(-c2ccccc2)c(=O)[n-]1 ZINC000013625446 220079112 /nfs/dbraw/zinc/07/91/12/220079112.db2.gz ZWKVGPFWGCOMFU-UHFFFAOYSA-N -1 0 355.419 3.012 50 0 FGAARM CC(C)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013681166 220084252 /nfs/dbraw/zinc/08/42/52/220084252.db2.gz ZWQCDTKXYFFFFG-UHFFFAOYSA-N -1 0 352.481 3.325 50 0 FGAARM CSCc1cccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c1 ZINC000014372041 220123267 /nfs/dbraw/zinc/12/32/67/220123267.db2.gz OJHXZSRHQDWQNK-UHFFFAOYSA-N -1 0 359.476 3.120 50 0 FGAARM O=C([O-])COc1cccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c1 ZINC000015011594 220141839 /nfs/dbraw/zinc/14/18/39/220141839.db2.gz BHXVBOMLIVJILC-XNTDXEJSSA-N -1 0 355.371 3.391 50 0 FGAARM O=C([O-])CCC(=O)Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2 ZINC000017074926 220204210 /nfs/dbraw/zinc/20/42/10/220204210.db2.gz QVJJWGGJVRUBSY-UHFFFAOYSA-N -1 0 364.467 3.056 50 0 FGAARM CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(N)=O ZINC000017074932 220204225 /nfs/dbraw/zinc/20/42/25/220204225.db2.gz SGHTTWZRROFTHM-QWHCGFSZSA-N -1 0 364.467 3.104 50 0 FGAARM Cc1nn(CC(=O)[O-])c2nc(-c3ccc(O)cc3)cc(C(F)(F)F)c12 ZINC000020349734 220324555 /nfs/dbraw/zinc/32/45/55/220324555.db2.gz ZJUNXQTYLQOHIM-UHFFFAOYSA-N -1 0 351.284 3.216 50 0 FGAARM O=C([O-])CCNC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1 ZINC000020719194 220338464 /nfs/dbraw/zinc/33/84/64/220338464.db2.gz KEXRMXYAPGAAFE-UHFFFAOYSA-N -1 0 359.234 3.250 50 0 FGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1csc(-c2ccccc2)n1 ZINC000036354854 220812610 /nfs/dbraw/zinc/81/26/10/220812610.db2.gz DLOACPLYNCPRDL-KRWDZBQOSA-N -1 0 366.442 3.165 50 0 FGAARM CC(=O)c1cn(CCC(=O)NCC2CCC(C(=O)[O-])CC2)c2ccccc12 ZINC000040312817 220902616 /nfs/dbraw/zinc/90/26/16/220902616.db2.gz WIQKDLLUAKORNG-UHFFFAOYSA-N -1 0 370.449 3.241 50 0 FGAARM O=C1OCCN1Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)s2)c1 ZINC000048353817 221008782 /nfs/dbraw/zinc/00/87/82/221008782.db2.gz NJSPHLOJAHIRPM-UHFFFAOYSA-N -1 0 372.855 3.155 50 0 FGAARM Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)CC(C)(C)CC(=O)[O-] ZINC000055149539 221060146 /nfs/dbraw/zinc/06/01/46/221060146.db2.gz GYISSCKMSGWDOH-UHFFFAOYSA-N -1 0 374.359 3.117 50 0 FGAARM CCC(CC)n1c(=O)n(Cc2cccc(Cl)n2)c2cc(C(=O)[O-])cnc21 ZINC000055042389 221057330 /nfs/dbraw/zinc/05/73/30/221057330.db2.gz PLXHSIBBQCBFNY-UHFFFAOYSA-N -1 0 374.828 3.354 50 0 FGAARM Cc1c(Br)c2ccccc2n1CC(=O)[N-]O[C@@H]1CCCCO1 ZINC000058419461 221118645 /nfs/dbraw/zinc/11/86/45/221118645.db2.gz GRGMRQHVCXIYMB-OAHLLOKOSA-N -1 0 367.243 3.287 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2ccc(-c3cc(C)no3)o2)cc1OC ZINC000064958391 221158185 /nfs/dbraw/zinc/15/81/85/221158185.db2.gz QPQCLLAWICENKW-UHFFFAOYSA-N -1 0 364.379 3.061 50 0 FGAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2C)o1 ZINC000065194082 221177189 /nfs/dbraw/zinc/17/71/89/221177189.db2.gz UGYHXGXUJIKWOO-UHFFFAOYSA-N -1 0 374.466 3.418 50 0 FGAARM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3ccc(C)c(C)c3)cc2C1 ZINC000065196117 221178543 /nfs/dbraw/zinc/17/85/43/221178543.db2.gz LBKDVSVFFYLNEQ-UHFFFAOYSA-N -1 0 364.492 3.070 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(-c2nnc(C(C)C)o2)o1 ZINC000065246285 221185869 /nfs/dbraw/zinc/18/58/69/221185869.db2.gz WVAWFJQEZZSYSG-UHFFFAOYSA-N -1 0 363.395 3.262 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3cc[nH]n3)cs2)cc1F ZINC000065112326 221169544 /nfs/dbraw/zinc/16/95/44/221169544.db2.gz WIYVCQHNCRBHMF-UHFFFAOYSA-N -1 0 353.400 3.087 50 0 FGAARM COc1ccc(-n2cc(C(=O)[O-])c3c2[C@@H](C(F)(F)F)CC(=O)N3)cc1 ZINC000066089710 221239964 /nfs/dbraw/zinc/23/99/64/221239964.db2.gz IKDLFOORDRKOGD-NSHDSACASA-N -1 0 354.284 3.172 50 0 FGAARM COc1cccc(NC(=O)N2CC[C@@H](Cc3ccc(C(=O)[O-])cc3)C2)c1 ZINC000072425324 221515135 /nfs/dbraw/zinc/51/51/35/221515135.db2.gz RDTJDPYLSLYLSM-HNNXBMFYSA-N -1 0 354.406 3.490 50 0 FGAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(c2cnc3ccccc3n2)CC1 ZINC000082107336 132194826 /nfs/dbraw/zinc/19/48/26/132194826.db2.gz BDADNUBQUXIBEF-UHFFFAOYSA-N -1 0 367.380 3.272 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N3CCCc4ccccc43)cc2[n-]c1=S ZINC000102750909 132236215 /nfs/dbraw/zinc/23/62/15/132236215.db2.gz NZLYISMHYYILLM-UHFFFAOYSA-N -1 0 365.458 3.298 50 0 FGAARM O=C([O-])c1ccnc(-c2ccnc(NCc3cccc(-n4cccn4)c3)n2)c1 ZINC000077376851 221614600 /nfs/dbraw/zinc/61/46/00/221614600.db2.gz AHIQUJXPVOHHMR-UHFFFAOYSA-N -1 0 372.388 3.035 50 0 FGAARM Cc1ccc(C)c(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)c(F)c4)c(=O)c2=3)c1 ZINC000095481466 221921310 /nfs/dbraw/zinc/92/13/10/221921310.db2.gz DQYHXUUQGUBBEX-DLBZAZTESA-N -1 0 370.359 3.075 50 0 FGAARM O=C(Nc1ccccn1)c1c([O-])c2ccccc2n(Cc2ccccc2)c1=O ZINC000100630020 222248318 /nfs/dbraw/zinc/24/83/18/222248318.db2.gz HJXCMSUGNKTALU-UHFFFAOYSA-N -1 0 371.396 3.403 50 0 FGAARM CCCn1c2ccccc2c([O-])c(C(=O)NCc2ccc(C)cc2)c1=O ZINC000100820680 222254350 /nfs/dbraw/zinc/25/43/50/222254350.db2.gz CQECAMZDYZOFNL-UHFFFAOYSA-N -1 0 350.418 3.356 50 0 FGAARM CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000101417694 222274289 /nfs/dbraw/zinc/27/42/89/222274289.db2.gz GUVZIEUHAYUEHQ-ZWKOTPCHSA-N -1 0 366.396 3.443 50 0 FGAARM COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c(C(=O)[O-])c1OC ZINC000007113156 263349364 /nfs/dbraw/zinc/34/93/64/263349364.db2.gz QXSOQJSYNSDFNY-SFHVURJKSA-N -1 0 368.389 3.131 50 0 FGAARM CCn1c(SCc2nc(=O)c3sccc3[n-]2)nnc1-c1ccco1 ZINC000008569528 263355997 /nfs/dbraw/zinc/35/59/97/263355997.db2.gz UYFYLDKULZTFME-UHFFFAOYSA-N -1 0 359.436 3.148 50 0 FGAARM CCOC(=O)c1n[n-]n(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O ZINC000001042718 493783246 /nfs/dbraw/zinc/78/32/46/493783246.db2.gz UMKBAPMEJNCPEB-UHFFFAOYSA-N -1 0 369.221 3.187 50 0 FGAARM COc1ccc(-c2cc(C(=O)NCCC(=O)[O-])c3ccccc3n2)cc1 ZINC000001464283 493795889 /nfs/dbraw/zinc/79/58/89/493795889.db2.gz BSHTUKNUTYVZOB-UHFFFAOYSA-N -1 0 350.374 3.115 50 0 FGAARM Cc1cccc(NC(=O)c2c([O-])c3cc(F)cc4c3n(c2=O)[C@H](C)CC4)n1 ZINC000002234201 493803469 /nfs/dbraw/zinc/80/34/69/493803469.db2.gz BPRCZYQKHPNDFQ-LLVKDONJSA-N -1 0 367.380 3.309 50 0 FGAARM O=C([O-])c1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)cc1 ZINC000002731163 493817564 /nfs/dbraw/zinc/81/75/64/493817564.db2.gz IFHKTWQIMBQFNJ-UHFFFAOYSA-N -1 0 353.300 3.116 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccccc1I ZINC000002773322 493818479 /nfs/dbraw/zinc/81/84/79/493818479.db2.gz JJACPDDDRHZTPZ-VHSXEESVSA-N -1 0 373.190 3.121 50 0 FGAARM C[C@]12CC[C@@H]3c4ccc(OS(=O)(=O)[O-])cc4CC[C@H]3[C@@H]1CC[C@@H]2O ZINC000004097545 493864354 /nfs/dbraw/zinc/86/43/54/493864354.db2.gz QZIGLSSUDXBTLJ-ZBRFXRBCSA-N -1 0 352.452 3.085 50 0 in-vitro FGAARM COc1ccc(C=NNc2nnc3c4cccc(C)c4nc-3[n-]2)cc1OC ZINC000004322749 493873233 /nfs/dbraw/zinc/87/32/33/493873233.db2.gz BIHJUMAJPQVXRD-UHFFFAOYSA-N -1 0 362.393 3.278 50 0 FGAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3Cl)c(=O)c1=2 ZINC000004483926 493878529 /nfs/dbraw/zinc/87/85/29/493878529.db2.gz KXUQGPUUMUTIGK-CVEARBPZSA-N -1 0 354.797 3.142 50 0 FGAARM Nc1ccc(S(=O)(=O)[N-]c2nccc(/C=C/c3cccc(F)c3)n2)cc1 ZINC000005090801 493913604 /nfs/dbraw/zinc/91/36/04/493913604.db2.gz NIXOWKKSSKNBIT-QPJJXVBHSA-N -1 0 370.409 3.169 50 0 FGAARM CCn1cc(Br)cc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000050922133 493938380 /nfs/dbraw/zinc/93/83/80/493938380.db2.gz ZHZRWADKACGBCJ-LBPRGKRZSA-N -1 0 357.248 3.130 50 0 FGAARM COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)CCCC(=O)[O-] ZINC000006179853 493953731 /nfs/dbraw/zinc/95/37/31/493953731.db2.gz ZUQVUGYWJNUWFF-UHFFFAOYSA-N -1 0 361.419 3.319 50 0 FGAARM COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)[O-])cc1Cl ZINC000032596969 493999035 /nfs/dbraw/zinc/99/90/35/493999035.db2.gz HXJVEWOOVVMTGP-UHFFFAOYSA-N -1 0 355.799 3.156 50 0 FGAARM Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)[n-]c2=O)cc1 ZINC000032778605 494015627 /nfs/dbraw/zinc/01/56/27/494015627.db2.gz VEMJDPXAKXYFHN-UHFFFAOYSA-N -1 0 370.409 3.423 50 0 FGAARM O=S(=O)([N-]c1ccccc1OC(F)F)c1ccc2c(c1)OCCCO2 ZINC000007409145 494021028 /nfs/dbraw/zinc/02/10/28/494021028.db2.gz KVRFSCGRSGCJNL-UHFFFAOYSA-N -1 0 371.361 3.250 50 0 FGAARM Cc1ccc([N-]S(=O)(=O)c2cc(-c3noc(C4CC4)n3)ccc2C)nc1 ZINC000033269649 494055730 /nfs/dbraw/zinc/05/57/30/494055730.db2.gz IIYZBLNLXPPLRS-UHFFFAOYSA-N -1 0 370.434 3.427 50 0 FGAARM CC1CCN(C(=O)CCc2nnc(-c3ccc(Cl)cc3)[n-]c2=O)CC1 ZINC000034768105 494068099 /nfs/dbraw/zinc/06/80/99/494068099.db2.gz MSLWRRVTLQUYNR-UHFFFAOYSA-N -1 0 360.845 3.089 50 0 FGAARM Cc1[n-]n(-c2ccccc2)c2ncc(C(=O)Nc3ccc(F)cc3)c(=O)c1-2 ZINC000009316346 494120315 /nfs/dbraw/zinc/12/03/15/494120315.db2.gz SLKNPDJSDMWAHB-UHFFFAOYSA-N -1 0 362.364 3.414 50 0 FGAARM COC(=O)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1cccc(C)c1C ZINC000009553717 494127482 /nfs/dbraw/zinc/12/74/82/494127482.db2.gz KJIIZFFYNADHFP-QGZVFWFLSA-N -1 0 355.390 3.036 50 0 FGAARM Cc1ccc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)s2)cc1C ZINC000009748534 494131682 /nfs/dbraw/zinc/13/16/82/494131682.db2.gz WSYOCMKZPCMGRK-UHFFFAOYSA-N -1 0 364.492 3.402 50 0 FGAARM COc1cccc(-c2noc(-c3c[n-]c4ccc(F)cc4c3=O)n2)c1OC ZINC000085689239 494136630 /nfs/dbraw/zinc/13/66/30/494136630.db2.gz NXUHAKRVVYRJCO-UHFFFAOYSA-N -1 0 367.336 3.401 50 0 FGAARM O=S(=O)([N-]c1ccc(OCC(F)(F)F)nc1)c1cc(F)cc(F)c1 ZINC000040150857 494136725 /nfs/dbraw/zinc/13/67/25/494136725.db2.gz MYDGOOKJKRWMGP-UHFFFAOYSA-N -1 0 368.283 3.102 50 0 FGAARM Cc1cccc([N-]S(=O)(=O)c2ccccc2F)c1C(=O)N1CCCC1 ZINC000040156794 494137621 /nfs/dbraw/zinc/13/76/21/494137621.db2.gz PPVBKOPEVQAJOU-UHFFFAOYSA-N -1 0 362.426 3.171 50 0 FGAARM Cc1cc(C)n(-c2ccc(CS(=O)(=O)c3nc4ccccc4[n-]3)cc2)n1 ZINC000040152110 494137829 /nfs/dbraw/zinc/13/78/29/494137829.db2.gz LFWAXBVNLAODSU-UHFFFAOYSA-N -1 0 366.446 3.339 50 0 FGAARM CC(C)Cc1cc(C(=O)N2CC[C@@H](Cc3cccc(C(=O)[O-])c3)C2)n(C)n1 ZINC000072161895 494139190 /nfs/dbraw/zinc/13/91/90/494139190.db2.gz OKKZKCQUKXCARP-INIZCTEOSA-N -1 0 369.465 3.022 50 0 FGAARM COc1ccc2c(ccn2CCC(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000040284229 494139969 /nfs/dbraw/zinc/13/99/69/494139969.db2.gz JBPMADLAQOLNHW-UHFFFAOYSA-N -1 0 352.390 3.055 50 0 FGAARM C[C@@H](NC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000010055111 494141216 /nfs/dbraw/zinc/14/12/16/494141216.db2.gz UKGVUUHZAMHVOT-LLVKDONJSA-N -1 0 350.465 3.077 50 0 FGAARM O=C(CCNC(=O)c1c([O-])cc(Cl)cc1Cl)NCc1ccccc1 ZINC000072311898 494150981 /nfs/dbraw/zinc/15/09/81/494150981.db2.gz WCXKDJQSZBDXNM-UHFFFAOYSA-N -1 0 367.232 3.135 50 0 FGAARM COc1c(F)cccc1C(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072436438 494175219 /nfs/dbraw/zinc/17/52/19/494175219.db2.gz YFPPLZNUOQTEFQ-AWEZNQCLSA-N -1 0 357.381 3.237 50 0 FGAARM CCOc1ccc(-c2ccnc(NCc3cc(C)on3)n2)cc1C(=O)[O-] ZINC000072477537 494181669 /nfs/dbraw/zinc/18/16/69/494181669.db2.gz PKZAHVUTNDUOBT-UHFFFAOYSA-N -1 0 354.366 3.149 50 0 FGAARM CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)c1ccccc1OC ZINC000065623533 494221397 /nfs/dbraw/zinc/22/13/97/494221397.db2.gz IDQYJBHQJJGNEU-AWEZNQCLSA-N -1 0 369.446 3.102 50 0 FGAARM CSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)CC(C(=O)[O-])=N2 ZINC000012390424 494228462 /nfs/dbraw/zinc/22/84/62/494228462.db2.gz XKBVSJIQUILYRS-SNVBAGLBSA-N -1 0 357.222 3.290 50 0 FGAARM CCC[C@@]1(C(=O)[O-])CCC[N@H+](Cc2cn(CC)c3cnc(C(=O)[O-])cc23)C1 ZINC000091452617 494601542 /nfs/dbraw/zinc/60/15/42/494601542.db2.gz VZIHZMRDMVNICU-HXUWFJFHSA-N -1 0 373.453 3.221 50 0 FGAARM O=C([O-])[C@@H]1C[N@H+](Cc2cncn2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000091745804 494664792 /nfs/dbraw/zinc/66/47/92/494664792.db2.gz PBTIKQMLRCMFKO-LEWJYISDSA-N -1 0 361.445 3.232 50 0 FGAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)C2(c3ccc(C)cc3)CC2)C1 ZINC000091831056 494696202 /nfs/dbraw/zinc/69/62/02/494696202.db2.gz OAUBAQOOAJGISM-FQEVSTJZSA-N -1 0 359.466 3.147 50 0 FGAARM Cc1nnc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(C)cc2C)o1 ZINC000075504913 494781425 /nfs/dbraw/zinc/78/14/25/494781425.db2.gz PTBPLVPNYAXDPH-UHFFFAOYSA-N -1 0 360.439 3.408 50 0 FGAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000047871527 494785133 /nfs/dbraw/zinc/78/51/33/494785133.db2.gz GWYZSLWEEYPEKT-UHFFFAOYSA-N -1 0 374.340 3.209 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000027640022 494878894 /nfs/dbraw/zinc/87/88/94/494878894.db2.gz XEYBRNLFEZDVAW-MEWMNREUSA-N -1 0 352.471 3.251 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@@H]1C/C=C\CCCC(=O)[O-] ZINC000027875336 494888931 /nfs/dbraw/zinc/88/89/31/494888931.db2.gz BHMBVRSPMRCCGG-LJNSFSJGSA-N -1 0 352.471 3.251 50 0 in-vitro FGAARM O=C([O-])C[C@H]1c2ccccc2CCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000095359010 494963699 /nfs/dbraw/zinc/96/36/99/494963699.db2.gz SMYQVXXJYBLANV-IBGZPJMESA-N -1 0 361.401 3.087 50 0 FGAARM O=C([O-])[C@@H](NC(=O)Cc1csc(-c2ccco2)n1)c1ccccc1F ZINC000095464036 494976938 /nfs/dbraw/zinc/97/69/38/494976938.db2.gz OCDOXIBNJLDPRM-HNNXBMFYSA-N -1 0 360.366 3.027 50 0 FGAARM COC(=O)C[C@@H](c1ccc(-c2cccc(C(=O)[O-])c2)o1)c1c(C)[nH][nH]c1=O ZINC000095473392 494978577 /nfs/dbraw/zinc/97/85/77/494978577.db2.gz DOMXZZKJRSCDLL-ZDUSSCGKSA-N -1 0 370.361 3.077 50 0 FGAARM Cc1scc(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c1-c1ccccc1 ZINC000095512316 494984309 /nfs/dbraw/zinc/98/43/09/494984309.db2.gz NRDAXKXEDRSOJK-INIZCTEOSA-N -1 0 367.430 3.098 50 0 FGAARM O=C([O-])c1c(I)c(Cl)ncc1C(F)(F)F ZINC000095611738 494989855 /nfs/dbraw/zinc/98/98/55/494989855.db2.gz NIBNSXVQHNYZRR-UHFFFAOYSA-N -1 0 351.449 3.057 50 0 FGAARM O=C([O-])[C@@H](NC(=O)c1cc(-c2cccs2)n[nH]1)c1ccccc1Cl ZINC000095989727 494994320 /nfs/dbraw/zinc/99/43/20/494994320.db2.gz IPVQZXOLMYMONZ-AWEZNQCLSA-N -1 0 361.810 3.347 50 0 FGAARM CC(=O)CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-] ZINC000142614157 495517971 /nfs/dbraw/zinc/51/79/71/495517971.db2.gz VRORKTDOWQXMGP-IBGZPJMESA-N -1 0 367.401 3.348 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N(C[C@H]3C[C@H]3C)C(C)C)cc2[n-]c1=S ZINC000170640951 495542279 /nfs/dbraw/zinc/54/22/79/495542279.db2.gz KTXYZXGOXGGDFV-TZMCWYRMSA-N -1 0 359.495 3.212 50 0 FGAARM CCn1cc(Br)cc1C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177480890 496078341 /nfs/dbraw/zinc/07/83/41/496078341.db2.gz COIISVSFPYXMDX-GFCCVEGCSA-N -1 0 363.211 3.099 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)/C=C/c2ccc(Oc3cccnc3)c(F)c2)C1 ZINC000165364783 496657349 /nfs/dbraw/zinc/65/73/49/496657349.db2.gz PWIYTISQJVIYRY-VFADXPBXSA-N -1 0 370.380 3.349 50 0 FGAARM Cc1oc(CN(C)C(=O)[C@H]2CCCO[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000268948210 496832080 /nfs/dbraw/zinc/83/20/80/496832080.db2.gz XKBGFJJACOVOAO-WMZOPIPTSA-N -1 0 357.406 3.413 50 0 FGAARM CSCC[C@@H](NC(=O)CCn1ccc2c1cccc2Cl)C(=O)[O-] ZINC000206410995 496973558 /nfs/dbraw/zinc/97/35/58/496973558.db2.gz KRBCCTRBZKJMBP-CYBMUJFWSA-N -1 0 354.859 3.007 50 0 FGAARM COc1cc(CN(C)Cc2cc(C)cc(C)n2)ccc1O[C@H](C)C(=O)[O-] ZINC000215153152 496978426 /nfs/dbraw/zinc/97/84/26/496978426.db2.gz PBSIUYVAENHROG-OAHLLOKOSA-N -1 0 358.438 3.191 50 0 FGAARM CC1(C)C[C@@H](NC(=O)c2cc(=O)n(-c3ccccc3)[n-]2)c2ccccc2O1 ZINC000220509886 497015361 /nfs/dbraw/zinc/01/53/61/497015361.db2.gz GEGDDMSTYKAVTD-QGZVFWFLSA-N -1 0 363.417 3.198 50 0 FGAARM Cn1c2ccccc2c2cc(CC(=O)NCc3ccc(C(=O)[O-])o3)ccc21 ZINC000221338426 497018874 /nfs/dbraw/zinc/01/88/74/497018874.db2.gz RAWOBJBXQWIULD-UHFFFAOYSA-N -1 0 362.385 3.482 50 0 FGAARM Cc1cc([N-]S(=O)(=O)c2cccc(Cl)c2Br)no1 ZINC000225695814 497072065 /nfs/dbraw/zinc/07/20/65/497072065.db2.gz MOLCESLZHIQRFQ-UHFFFAOYSA-N -1 0 351.609 3.200 50 0 FGAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000236822232 497152167 /nfs/dbraw/zinc/15/21/67/497152167.db2.gz MBCMZWIDBQTNFC-MJGOQNOKSA-N -1 0 370.449 3.197 50 0 FGAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237319482 497219030 /nfs/dbraw/zinc/21/90/30/497219030.db2.gz DBCIFMLJZKGSNE-CHWSQXEVSA-N -1 0 361.344 3.092 50 0 FGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)C[C@@H]1OCCc2ccccc21 ZINC000237651466 497269441 /nfs/dbraw/zinc/26/94/41/497269441.db2.gz GTMXRNZVWYDTKY-OALUTQOASA-N -1 0 353.418 3.331 50 0 FGAARM Cc1ccc(-n2ncc(C(=O)N3CC[C@H](C(=O)[O-])C3)c2C2CC2)cc1Cl ZINC000237782466 497291676 /nfs/dbraw/zinc/29/16/76/497291676.db2.gz FCIWMGVBJCSPPC-ZDUSSCGKSA-N -1 0 373.840 3.258 50 0 FGAARM CC[C@H](C)[C@@H](NC(=O)Cc1c(C)[nH]nc1-c1ccc(Cl)cc1)C(=O)[O-] ZINC000252487374 497305268 /nfs/dbraw/zinc/30/52/68/497305268.db2.gz HVKCVSATSGAHIC-MGPLVRAMSA-N -1 0 363.845 3.197 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000237947050 497318349 /nfs/dbraw/zinc/31/83/49/497318349.db2.gz OFHHDWGBJIJEMD-ZDUSSCGKSA-N -1 0 355.381 3.227 50 0 FGAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cc2ccc(F)c(Br)c2)C1 ZINC000238003269 497326466 /nfs/dbraw/zinc/32/64/66/497326466.db2.gz JBJRJIHJOICOQT-LLVKDONJSA-N -1 0 372.234 3.234 50 0 FGAARM COc1cccc([C@@H]2CC(c3ccsc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000253430057 497333580 /nfs/dbraw/zinc/33/35/80/497333580.db2.gz DOUYSRKBJREACA-INIZCTEOSA-N -1 0 358.419 3.299 50 0 FGAARM O=C([O-])C1CCC(NC(=O)c2cc3ccccc3nc2N2CCCC2)CC1 ZINC000238075618 497337100 /nfs/dbraw/zinc/33/71/00/497337100.db2.gz DTNQYPKYUGEKSO-UHFFFAOYSA-N -1 0 367.449 3.208 50 0 FGAARM O=C([O-])c1ccc(CCC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000238083742 497337286 /nfs/dbraw/zinc/33/72/86/497337286.db2.gz RGVULHJXWAFDIQ-SJORKVTESA-N -1 0 373.474 3.494 50 0 FGAARM O=C([O-])[C@@H]1CCCN(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)C1 ZINC000263128320 497712388 /nfs/dbraw/zinc/71/23/88/497712388.db2.gz XVVWLRYZLKTAKP-OAHLLOKOSA-N -1 0 364.405 3.354 50 0 FGAARM CCCOc1ccc(C=Cc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)cc1OC ZINC000548419307 504437778 /nfs/dbraw/zinc/43/77/78/504437778.db2.gz CHOARVVWIYCZJL-VURMDHGXSA-N -1 0 358.394 3.086 50 0 FGAARM O=C([O-])Cc1cc(Br)c(Br)cc1OC(F)F ZINC000263623861 534505936 /nfs/dbraw/zinc/50/59/36/534505936.db2.gz LJZQDDGFFHFNJG-UHFFFAOYSA-N -1 0 359.948 3.440 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)ccc1C(=O)[O-] ZINC000237318777 522430819 /nfs/dbraw/zinc/43/08/19/522430819.db2.gz NZBIAYOVNHDLBP-STQMWFEESA-N -1 0 361.344 3.092 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237319070 522431337 /nfs/dbraw/zinc/43/13/37/522431337.db2.gz ZKPWEVZMAVWZRV-KGLIPLIRSA-N -1 0 361.344 3.092 50 0 FGAARM O=C([O-])c1ccc(CNC(=O)Cc2csc(-c3ccccc3)n2)cc1 ZINC000020745486 526366520 /nfs/dbraw/zinc/36/65/20/526366520.db2.gz WNVIVHYOQULAKL-UHFFFAOYSA-N -1 0 352.415 3.367 50 0 FGAARM CCOC(=O)C1CCN(c2nc(-c3ccsc3)ccc2C(=O)[O-])CC1 ZINC000299757720 535604727 /nfs/dbraw/zinc/60/47/27/535604727.db2.gz IYOGYRLETRITOQ-UHFFFAOYSA-N -1 0 360.435 3.288 50 0 FGAARM CCc1cc(=O)oc2c1ccc1c2CN(c2ccc(CC(=O)[O-])cc2)CO1 ZINC000006785145 536095652 /nfs/dbraw/zinc/09/56/52/536095652.db2.gz IVXDLKVCTDXKBQ-UHFFFAOYSA-N -1 0 365.385 3.339 50 0 FGAARM CCCc1nc2ccccc2n1C[C@H](O)COc1ccc(C(=O)[O-])cc1 ZINC000195767544 571073934 /nfs/dbraw/zinc/07/39/34/571073934.db2.gz GHXDACIKRVWHHJ-HNNXBMFYSA-N -1 0 354.406 3.127 50 0 FGAARM C[C@@H]1CS/C(=C(/C(=O)[O-])C(=O)/C=C\c2cccc([N+](=O)[O-])c2)S1 ZINC000101513909 571142964 /nfs/dbraw/zinc/14/29/64/571142964.db2.gz OZQKDBDZQDGWNU-PEQCQEHBSA-N -1 0 351.405 3.342 50 0 FGAARM CC1=NN(c2ccc(C(=O)N3CCc4ccccc4[C@@H]3C(=O)[O-])cc2)CC1 ZINC000262563576 601479445 /nfs/dbraw/zinc/47/94/45/601479445.db2.gz ZKGVRXMAOQYCAF-LJQANCHMSA-N -1 0 363.417 3.097 50 0 FGAARM CC1=N/C(=C/c2cc(Br)cc(Br)c2[O-])C(=O)O1 ZINC000001041604 695535721 /nfs/dbraw/zinc/53/57/21/695535721.db2.gz LDDSGFMPVQHQQB-YCRREMRBSA-N -1 0 360.989 3.233 50 0 FGAARM C[C@H](C(=O)[O-])C(=O)N1CCC[C@@]1(C)Cc1ccc(OC(F)(F)F)cc1 ZINC000663133580 720479454 /nfs/dbraw/zinc/47/94/54/720479454.db2.gz SPZVNMBFEOQSHS-ZBEGNZNMSA-N -1 0 359.344 3.230 50 0 FGAARM COc1cc(CNC(=O)c2cccc(-n3cccc3)c2)ccc1C(=O)[O-] ZINC000170688765 222614109 /nfs/dbraw/zinc/61/41/09/222614109.db2.gz PNHMRKRFYPKHHW-UHFFFAOYSA-N -1 0 350.374 3.114 50 0 FGAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1 ZINC000000892697 219337470 /nfs/dbraw/zinc/33/74/70/219337470.db2.gz NKTDWUALJNNLPV-UHFFFAOYSA-N -1 0 361.448 3.364 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 ZINC000001148094 219381324 /nfs/dbraw/zinc/38/13/24/219381324.db2.gz CJYGUWATCFOZNN-KBPBESRZSA-N -1 0 371.418 3.001 50 0 FGAARM CC(C)CNc1cc(Cl)c(S(=O)(=O)NCC(C)C)cc1C(=O)[O-] ZINC000001203832 219388523 /nfs/dbraw/zinc/38/85/23/219388523.db2.gz ITFFMSUEEGPATQ-UHFFFAOYSA-N -1 0 362.879 3.040 50 0 FGAARM O=C([O-])[C@H](NC(=O)Nc1cccc(-c2cccs2)c1)C1CCOCC1 ZINC000225487703 222845204 /nfs/dbraw/zinc/84/52/04/222845204.db2.gz KWAKKZZIFGHKLR-MRXNPFEDSA-N -1 0 360.435 3.416 50 0 FGAARM O=C([O-])CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000002648263 219454726 /nfs/dbraw/zinc/45/47/26/219454726.db2.gz OVUCLYDHYHYFHN-UHFFFAOYSA-N -1 0 374.245 3.269 50 0 FGAARM Cn1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc2cc(C(F)(F)F)ccc21 ZINC000237712742 222910224 /nfs/dbraw/zinc/91/02/24/222910224.db2.gz AGLYNQPPUALJFO-JTQLQIEISA-N -1 0 354.328 3.134 50 0 FGAARM Cc1nnc(SCc2nc(=O)c3sccc3[n-]2)n1-c1ccccc1 ZINC000006315421 219724503 /nfs/dbraw/zinc/72/45/03/219724503.db2.gz PCNGEPNUBZGEHD-UHFFFAOYSA-N -1 0 355.448 3.166 50 0 FGAARM Cc1ccc(C(=O)[O-])cc1N[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O ZINC000006831575 219776561 /nfs/dbraw/zinc/77/65/61/219776561.db2.gz QDXZDNHIORSDNW-MRXNPFEDSA-N -1 0 352.390 3.054 50 0 FGAARM Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000012771840 220028039 /nfs/dbraw/zinc/02/80/39/220028039.db2.gz NZRBANKSAPWGPV-UHFFFAOYSA-N -1 0 359.234 3.202 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@@H](O)[C@H]1C/C=C\CCCC(=O)[O-] ZINC000013339035 220064956 /nfs/dbraw/zinc/06/49/56/220064956.db2.gz BHMBVRSPMRCCGG-ZDDFUZLGSA-N -1 0 352.471 3.251 50 0 in-vitro FGAARM COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl ZINC000013367063 220066088 /nfs/dbraw/zinc/06/60/88/220066088.db2.gz KSSIXFLGZHWEMF-VQHVLOKHSA-N -1 0 367.810 3.247 50 0 FGAARM COc1ccc([C@@H](C)NC(=O)C[C@](C)(C(=O)[O-])c2ccccc2)cc1F ZINC000013469400 220068093 /nfs/dbraw/zinc/06/80/93/220068093.db2.gz OLVKJXMUDQIMEA-XCLFUZPHSA-N -1 0 359.397 3.444 50 0 FGAARM CC(=O)c1cc(C(=O)c2cc(F)ccc2[O-])cn(-c2ccc(C)cc2)c1=O ZINC000014161640 220112514 /nfs/dbraw/zinc/11/25/14/220112514.db2.gz QKOBOUOYTACBKY-UHFFFAOYSA-N -1 0 365.360 3.424 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(F)c(Cl)c2)C[C@H]1C(=O)[O-] ZINC000014632474 220128322 /nfs/dbraw/zinc/12/83/22/220128322.db2.gz BBOHNDQEUQYPLA-GWCFXTLKSA-N -1 0 359.781 3.321 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])C(=O)C[C@@H]1O ZINC000015111010 220148403 /nfs/dbraw/zinc/14/84/03/220148403.db2.gz XEYBRNLFEZDVAW-YUOXZBOXSA-N -1 0 352.471 3.251 50 0 in-man FGAARM O=C([O-])c1ccccc1NC(=O)CCCc1nc(-c2ccccc2)no1 ZINC000015669594 220158423 /nfs/dbraw/zinc/15/84/23/220158423.db2.gz ULZGUIVJNQPAPB-UHFFFAOYSA-N -1 0 351.362 3.396 50 0 FGAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(F)(F)F)c1 ZINC000016147534 220180274 /nfs/dbraw/zinc/18/02/74/220180274.db2.gz HJWGNOXFVXNNGE-UHFFFAOYSA-N -1 0 353.753 3.500 50 0 FGAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C/c1c(F)cccc1F ZINC000029737033 220610467 /nfs/dbraw/zinc/61/04/67/220610467.db2.gz SLOJIKTUTRDLSQ-CMDGGOBGSA-N -1 0 356.328 3.320 50 0 FGAARM O=C(Nc1nnc(C(F)F)s1)c1ccc(Br)cc1[O-] ZINC000049450105 221022894 /nfs/dbraw/zinc/02/28/94/221022894.db2.gz WACXGYCAUQIATB-UHFFFAOYSA-N -1 0 350.144 3.196 50 0 FGAARM CSCC[C@H](NC(=O)c1sc(-c2cccc(F)c2)nc1C)C(=O)[O-] ZINC000049547856 221024519 /nfs/dbraw/zinc/02/45/19/221024519.db2.gz URXXXNCOWPTFPW-LBPRGKRZSA-N -1 0 368.455 3.194 50 0 FGAARM Cc1cc(C)nc([N-]c2nc(C(=O)NCCc3cccs3)cs2)n1 ZINC000049032324 221018251 /nfs/dbraw/zinc/01/82/51/221018251.db2.gz XCBPYHQMTVHWEQ-UHFFFAOYSA-N -1 0 359.480 3.328 50 0 FGAARM O=C([O-])[C@@H](CC(=O)Nc1cc(N2CCCC2=O)ccc1F)c1ccccc1 ZINC000055151006 221059998 /nfs/dbraw/zinc/05/99/98/221059998.db2.gz HNENOXSUVFAWHV-HNNXBMFYSA-N -1 0 370.380 3.150 50 0 FGAARM COc1ccc(Cl)cc1CN(C)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055405001 221069812 /nfs/dbraw/zinc/06/98/12/221069812.db2.gz XYKBVJZPZDATHM-UHFFFAOYSA-N -1 0 362.813 3.117 50 0 FGAARM O=C([O-])c1cc2c(c(S(=O)(=O)Nc3ccc(F)cc3Cl)c1)CCC2 ZINC000055555300 221071358 /nfs/dbraw/zinc/07/13/58/221071358.db2.gz BCCXHHMDEJPXRD-UHFFFAOYSA-N -1 0 369.801 3.467 50 0 FGAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)C[C@H](C)c2ccc(F)cc2)c1 ZINC000057997130 221097016 /nfs/dbraw/zinc/09/70/16/221097016.db2.gz VRWSFQOFBDGKDB-LBPRGKRZSA-N -1 0 365.426 3.457 50 0 FGAARM O=C([O-])c1cn(-c2ccccc2F)c2c1NC(=O)C[C@@H]2c1cccc(O)c1 ZINC000061719855 221134409 /nfs/dbraw/zinc/13/44/09/221134409.db2.gz DQESGGSTXMNOJP-CYBMUJFWSA-N -1 0 366.348 3.494 50 0 FGAARM CCOC(=O)c1c(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c(C)n1C ZINC000064863134 221154689 /nfs/dbraw/zinc/15/46/89/221154689.db2.gz DKGXYLPEJIJZHV-UHFFFAOYSA-N -1 0 364.467 3.236 50 0 FGAARM O=C(Cc1ccc(S(=O)(=O)[N-]c2ccccc2)s1)N1CCCCC1 ZINC000064919836 221156149 /nfs/dbraw/zinc/15/61/49/221156149.db2.gz HBWJKSNFPZFINT-UHFFFAOYSA-N -1 0 364.492 3.104 50 0 FGAARM O=C(Nc1ccc(Br)cc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215196 221181998 /nfs/dbraw/zinc/18/19/98/221181998.db2.gz NYCWFXAMKYDWTF-UHFFFAOYSA-N -1 0 365.208 3.310 50 0 FGAARM CC(C)c1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)o2)o1 ZINC000065246290 221185684 /nfs/dbraw/zinc/18/56/84/221185684.db2.gz HDRVMTKYGGXGLK-UHFFFAOYSA-N -1 0 351.359 3.393 50 0 FGAARM Cc1cccc(NC(=O)c2c([O-])c3cnn(-c4cccc(C)c4)c3[nH]c2=O)c1 ZINC000065250023 221187630 /nfs/dbraw/zinc/18/76/30/221187630.db2.gz ZTFGNQLEZPUHLB-UHFFFAOYSA-N -1 0 374.400 3.289 50 0 FGAARM COc1cc(-c2nnc(SCC(=O)[O-])n2-c2ccc(C)cc2)ccc1O ZINC000065528691 221231744 /nfs/dbraw/zinc/23/17/44/221231744.db2.gz VNBHQRGHYDQTTK-UHFFFAOYSA-N -1 0 371.418 3.134 50 0 FGAARM C[C@H](c1ccccc1)n1c(SCC(=O)[O-])nnc1-c1ccc(O)cc1 ZINC000067654442 221266012 /nfs/dbraw/zinc/26/60/12/221266012.db2.gz OGULBGGPNOKKDN-GFCCVEGCSA-N -1 0 355.419 3.437 50 0 FGAARM O=C([O-])c1cccnc1N1CCC[C@](CO)(CCCc2ccccc2)C1 ZINC000067741006 221278842 /nfs/dbraw/zinc/27/88/42/221278842.db2.gz GMZQGPDSTQYZMX-OAQYLSRUSA-N -1 0 354.450 3.382 50 0 FGAARM CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)C[C@H](C)c1ccccc1)C2 ZINC000067855967 221296888 /nfs/dbraw/zinc/29/68/88/221296888.db2.gz ZFAGMPWMUYMCFJ-HNNXBMFYSA-N -1 0 369.465 3.316 50 0 FGAARM CC(C)c1nc(Cc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)no1 ZINC000071287922 221340504 /nfs/dbraw/zinc/34/05/04/221340504.db2.gz XWYVXKKKOJKECO-GJZGRUSLSA-N -1 0 357.410 3.079 50 0 FGAARM O=C1CCCCN1c1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1 ZINC000005330034 132257175 /nfs/dbraw/zinc/25/71/75/132257175.db2.gz ILVJEJBZYIPQOZ-UHFFFAOYSA-N -1 0 366.389 3.283 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)c2ccccc2O1 ZINC000013435686 132306781 /nfs/dbraw/zinc/30/67/81/132306781.db2.gz KINNMAGJMOCIRU-AWEZNQCLSA-N -1 0 353.708 3.111 50 0 FGAARM O=C([O-])c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 ZINC000058772884 132376406 /nfs/dbraw/zinc/37/64/06/132376406.db2.gz VNPKOTGAQPJKKB-UHFFFAOYSA-N -1 0 351.811 3.180 50 0 FGAARM CC(C)c1ncc(Cl)c(C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])n1 ZINC000095957190 221978658 /nfs/dbraw/zinc/97/86/58/221978658.db2.gz MTAQTCKGKKTGPT-HNNXBMFYSA-N -1 0 359.813 3.078 50 0 FGAARM Cc1sc(-c2ccno2)cc1S(=O)(=O)[N-]c1ccc2c(c1)OCO2 ZINC000096323608 222115362 /nfs/dbraw/zinc/11/53/62/222115362.db2.gz PXRBRHNWBAEUET-UHFFFAOYSA-N -1 0 364.404 3.241 50 0 FGAARM CCc1cccc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000096361041 222117153 /nfs/dbraw/zinc/11/71/53/222117153.db2.gz RYJMQLJBTDSCPI-UHFFFAOYSA-N -1 0 370.434 3.025 50 0 FGAARM O=C([O-])CCn1c(=O)c2ccccc2nc1/C=C\c1cc(F)ccc1F ZINC000097152297 222164736 /nfs/dbraw/zinc/16/47/36/222164736.db2.gz HVPYADIHGMNKOC-YVMONPNESA-N -1 0 356.328 3.320 50 0 FGAARM CCCCCn1c(=O)c(C(=O)Nc2ncccc2O)c([O-])c2ccccc21 ZINC000100331675 222241548 /nfs/dbraw/zinc/24/15/48/222241548.db2.gz NCXZRVYZHZXKMH-UHFFFAOYSA-N -1 0 367.405 3.250 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1 ZINC000101167700 222265367 /nfs/dbraw/zinc/26/53/67/222265367.db2.gz NQPZIXVCSOHMDD-IRXDYDNUSA-N -1 0 368.824 3.396 50 0 FGAARM COC(=O)CCc1c(C)[n-]n(-c2nc(-c3ccc(F)cc3)cs2)c1=O ZINC000101501603 222276889 /nfs/dbraw/zinc/27/68/89/222276889.db2.gz WGUXRYFYPKRMGW-UHFFFAOYSA-N -1 0 361.398 3.255 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N(C)C3CCCCCC3)cc2[n-]c1=S ZINC000102542934 222300390 /nfs/dbraw/zinc/30/03/90/222300390.db2.gz IKMWJAIMSMIZMM-UHFFFAOYSA-N -1 0 359.495 3.500 50 0 FGAARM COc1cccc(-c2n[nH]cc2-c2cc(=O)n3[n-]c(C(C)(C)C)cc3n2)c1 ZINC000102715167 222305371 /nfs/dbraw/zinc/30/53/71/222305371.db2.gz JKSXMAWHKXIPBN-UHFFFAOYSA-N -1 0 363.421 3.386 50 0 FGAARM CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000004613918 263335205 /nfs/dbraw/zinc/33/52/05/263335205.db2.gz ONEYDRJKMXVUPQ-RYUDHWBXSA-N -1 0 353.440 3.371 50 0 FGAARM CCOc1cc(C(=O)N2CC[C@@H](c3ccccc3)C2)ccc1OCC(=O)[O-] ZINC000268889644 263466649 /nfs/dbraw/zinc/46/66/49/263466649.db2.gz HUFKJQAROGNKPU-QGZVFWFLSA-N -1 0 369.417 3.178 50 0 FGAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2ccc(Cl)cc2)nc1C ZINC000001514513 493797032 /nfs/dbraw/zinc/79/70/32/493797032.db2.gz RPAYSFNQGZKTKO-UHFFFAOYSA-N -1 0 360.844 3.082 50 0 FGAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)c(C)c1 ZINC000002641471 493814014 /nfs/dbraw/zinc/81/40/14/493814014.db2.gz NXJAODZKPIVCOC-HNNXBMFYSA-N -1 0 367.854 3.451 50 0 FGAARM CCOC(=O)c1c(NC(=O)/C=C(\C)C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000002777168 493819536 /nfs/dbraw/zinc/81/95/36/493819536.db2.gz HKISSIXBOSBTDN-WKMLFNHBSA-N -1 0 351.424 3.019 50 0 FGAARM CCOC(=O)[C@@]([N-]c1ccccc1C(F)(F)F)(NC(C)=O)C(F)(F)F ZINC000003138004 493831392 /nfs/dbraw/zinc/83/13/92/493831392.db2.gz UUIDLOUOXFALAU-LBPRGKRZSA-N -1 0 372.265 3.075 50 0 FGAARM Cc1cc(Br)cc(Br)c1N(CC(=O)[O-])N=O ZINC000048544818 493835807 /nfs/dbraw/zinc/83/58/07/493835807.db2.gz PCPLZWAIVHIQKM-UHFFFAOYSA-N -1 0 351.982 3.092 50 0 FGAARM O=C([O-])Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 ZINC000003327983 493839033 /nfs/dbraw/zinc/83/90/33/493839033.db2.gz JAUAEDGJPQQDIJ-UHFFFAOYSA-N -1 0 360.218 3.421 50 0 FGAARM Cc1cccc(N(CC(=O)[O-])[C@H]2SC(=O)N(c3cccc(C)c3)C2=O)c1 ZINC000003653228 493856927 /nfs/dbraw/zinc/85/69/27/493856927.db2.gz KZEIPYRWOLXGQH-SFHVURJKSA-N -1 0 370.430 3.421 50 0 FGAARM COc1ccc(C)cc1NC(=O)Cc1c2ccccc2n(C)c1C(=O)[O-] ZINC000003660311 493858229 /nfs/dbraw/zinc/85/82/29/493858229.db2.gz TVMFTTHXJHMSAG-UHFFFAOYSA-N -1 0 352.390 3.375 50 0 FGAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)COc1ccc(Cl)c(Cl)c1 ZINC000004110336 493864879 /nfs/dbraw/zinc/86/48/79/493864879.db2.gz TYGWIOOVMWKVHG-HNNXBMFYSA-N -1 0 368.216 3.184 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]C(=O)O[C@@H]2C[C@@]3(C(C)C)CC[C@]2(C)O3)cc1 ZINC000004110255 493865540 /nfs/dbraw/zinc/86/55/40/493865540.db2.gz VSSHUYCVSGSFPZ-BPQIPLTHSA-N -1 0 367.467 3.146 50 0 FGAARM CCc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(C)c(C)c4)c(=O)c2=3)cc1 ZINC000004483788 493877946 /nfs/dbraw/zinc/87/79/46/493877946.db2.gz IBVJJLZUOHGYOH-MOPGFXCFSA-N -1 0 362.433 3.359 50 0 FGAARM COc1cc(/C=C2\NC(=O)[N-]C2=O)ccc1OCc1ccc(Cl)cc1 ZINC000004673047 493885959 /nfs/dbraw/zinc/88/59/59/493885959.db2.gz CDSFHFZAYKKRJQ-ZSOIEALJSA-N -1 0 358.781 3.108 50 0 FGAARM COCc1c2ccccc2oc1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000005263282 493922298 /nfs/dbraw/zinc/92/22/98/493922298.db2.gz KIBDSEJGGYDPPI-UHFFFAOYSA-N -1 0 370.386 3.234 50 0 FGAARM COc1cc(C)c(C)cc1S(=O)(=O)[N-]c1cccc(N2CCCC2=O)c1 ZINC000005329494 493926421 /nfs/dbraw/zinc/92/64/21/493926421.db2.gz CXUTYTQHLRQSOM-UHFFFAOYSA-N -1 0 374.462 3.240 50 0 FGAARM CSCC[C@@H](C(=O)[O-])N1C(=S)N=NC1c1ccc2ccccc2n1 ZINC000006166237 493953915 /nfs/dbraw/zinc/95/39/15/493953915.db2.gz ZNLBRKMAEMAUEZ-ZDUSSCGKSA-N -1 0 360.464 3.161 50 0 FGAARM CCN1c2ccc(S(=O)(=O)[N-]c3cc(C)ccn3)c3cccc(c23)C1=O ZINC000006654916 493973284 /nfs/dbraw/zinc/97/32/84/493973284.db2.gz CYYZQIGUNDYSRI-UHFFFAOYSA-N -1 0 367.430 3.324 50 0 FGAARM COc1ccc(OC)c([N-]S(=O)(=O)c2cccc(Br)c2)c1 ZINC000007056460 493998490 /nfs/dbraw/zinc/99/84/90/493998490.db2.gz WQOROSJKKZGBGQ-UHFFFAOYSA-N -1 0 372.240 3.267 50 0 FGAARM O=C([O-])C1(CC(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)CCCC1 ZINC000032771988 494015191 /nfs/dbraw/zinc/01/51/91/494015191.db2.gz HEPHZSQYQAYFHK-UHFFFAOYSA-N -1 0 364.829 3.440 50 0 FGAARM COc1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)oc2C)cc1OC ZINC000032971244 494033616 /nfs/dbraw/zinc/03/36/16/494033616.db2.gz PEBMHGIPFPSASS-UHFFFAOYSA-N -1 0 364.379 3.061 50 0 FGAARM O=C1CCCN1c1ccccc1[N-]S(=O)(=O)c1cccc(Cl)c1 ZINC000007726610 494038929 /nfs/dbraw/zinc/03/89/29/494038929.db2.gz NHCVKHISFROVIX-UHFFFAOYSA-N -1 0 350.827 3.268 50 0 FGAARM O=c1c2[n-][nH]n(-c3cccc(Cl)c3)c=2c(=O)n1-c1ccc2c(c1)CCC2 ZINC000033114688 494045414 /nfs/dbraw/zinc/04/54/14/494045414.db2.gz SIPUHKWDYZCGDT-IAGOWNOFSA-N -1 0 366.808 3.327 50 0 FGAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1Cl ZINC000033114666 494045419 /nfs/dbraw/zinc/04/54/19/494045419.db2.gz OCUHZCNOTJRCQH-CABCVRRESA-N -1 0 358.760 3.285 50 0 FGAARM O=C([O-])c1cnn2c1N[C@H](c1ccc3c(c1)OCCO3)C[C@H]2C(F)(F)F ZINC000036610910 494092714 /nfs/dbraw/zinc/09/27/14/494092714.db2.gz ISVUEYCLRBXRCI-GWCFXTLKSA-N -1 0 369.299 3.013 50 0 FGAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCc3cc(C(=O)[O-])ccc32)cc1 ZINC000008852025 494106353 /nfs/dbraw/zinc/10/63/53/494106353.db2.gz KAOOMQFHNKUTIQ-UHFFFAOYSA-N -1 0 359.447 3.434 50 0 FGAARM COc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[n-]2)c(OC)c1 ZINC000009683975 494130785 /nfs/dbraw/zinc/13/07/85/494130785.db2.gz PTRQNAVLMMCLNN-UHFFFAOYSA-N -1 0 356.357 3.068 50 0 FGAARM Cc1nn(-c2nc3ccccc3s2)c2nc(C(F)(F)F)[n-]c(=O)c12 ZINC000009691746 494130872 /nfs/dbraw/zinc/13/08/72/494130872.db2.gz ZZRHGETUNSUFLG-UHFFFAOYSA-N -1 0 351.313 3.458 50 0 FGAARM CC(C)Oc1ccccc1O[C@H]1C[C@@H](C(=O)[O-])N(C(=O)OC(C)(C)C)C1 ZINC000072233822 494145867 /nfs/dbraw/zinc/14/58/67/494145867.db2.gz GLZCWNVWQCYRIQ-KBPBESRZSA-N -1 0 365.426 3.315 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C)cc3s2)cc1OC ZINC000013947984 494299011 /nfs/dbraw/zinc/29/90/11/494299011.db2.gz ZGCBOLYDXBTXKW-UHFFFAOYSA-N -1 0 364.448 3.423 50 0 FGAARM CCC(Nc1cccc(F)c1)=C1C(=O)[N-]C(=O)N(c2ccccc2)C1=O ZINC000018164737 494426668 /nfs/dbraw/zinc/42/66/68/494426668.db2.gz XRZPRSRMHZYVHW-FOCLMDBBSA-N -1 0 353.353 3.185 50 0 FGAARM Cc1ccc(-n2[n-]c(C(=O)NCCc3cc4ccccc4o3)cc2=O)cc1 ZINC000073891138 494443032 /nfs/dbraw/zinc/44/30/32/494443032.db2.gz GAGZQDNHCSJCHY-UHFFFAOYSA-N -1 0 361.401 3.193 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000023125716 494550516 /nfs/dbraw/zinc/55/05/16/494550516.db2.gz NQCMFAYXKZECCB-JKSUJKDBSA-N -1 0 354.797 3.400 50 0 FGAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2cccc3cc(C)cnc32)cc1 ZINC000024218561 494613684 /nfs/dbraw/zinc/61/36/84/494613684.db2.gz WDVKCIDQOCAHOR-UHFFFAOYSA-N -1 0 355.419 3.302 50 0 FGAARM Cc1cc(N2CCN(C(=O)c3ccc([O-])c(Cl)c3)CC2)nc(C(C)C)n1 ZINC000024218224 494614567 /nfs/dbraw/zinc/61/45/67/494614567.db2.gz DKHBWSRCKYLQDX-UHFFFAOYSA-N -1 0 374.872 3.230 50 0 FGAARM COCCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000091595543 494623661 /nfs/dbraw/zinc/62/36/61/494623661.db2.gz WHCKYBNCSTYBIL-QGZVFWFLSA-N -1 0 357.809 3.213 50 0 FGAARM COc1ccc(-c2noc(-c3c(=O)[nH]c4cc(F)ccc4c3[O-])n2)cc1 ZINC000075536660 494788238 /nfs/dbraw/zinc/78/82/38/494788238.db2.gz KWIINBBFHFDBDC-UHFFFAOYSA-N -1 0 353.309 3.098 50 0 FGAARM O=C([O-])C1(NC(=O)Cc2csc(-c3ccsc3)n2)CCCCC1 ZINC000095349574 494960627 /nfs/dbraw/zinc/96/06/27/494960627.db2.gz IRCGNLNTABGKKS-UHFFFAOYSA-N -1 0 350.465 3.318 50 0 FGAARM COc1ccsc1S(=O)(=O)NCc1ncc(-c2ccc(C)cc2)o1 ZINC000122376633 494965971 /nfs/dbraw/zinc/96/59/71/494965971.db2.gz GWYNAXODHWVTOT-UHFFFAOYSA-N -1 0 364.448 3.199 50 0 FGAARM CCC[C@@H]1C(=O)NCCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1[O-] ZINC000095455837 494975505 /nfs/dbraw/zinc/97/55/05/494975505.db2.gz ZZROGODHVYJKFP-QGZVFWFLSA-N -1 0 372.852 3.453 50 0 FGAARM CC[C@](C)(CC(=O)[O-])NC(=O)CSCc1cc(-c2cccs2)on1 ZINC000095970230 494993170 /nfs/dbraw/zinc/99/31/70/494993170.db2.gz KVNWVGDSXFKAMV-MRXNPFEDSA-N -1 0 368.480 3.396 50 0 FGAARM C[C@@H]1CCC[C@H](C)N(C(=O)CCn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000133590556 495032354 /nfs/dbraw/zinc/03/23/54/495032354.db2.gz RZFDTOIIDGVKAA-KGLIPLIRSA-N -1 0 359.495 3.112 50 0 FGAARM C[C@@H]1Cc2cccc3c2n1c(=O)c(C(=O)NCc1ccccc1Cl)c3[O-] ZINC000170624682 495536791 /nfs/dbraw/zinc/53/67/91/495536791.db2.gz MYWFDDVOTDRMNH-LLVKDONJSA-N -1 0 368.820 3.408 50 0 FGAARM O=S(=O)([N-]c1ccccc1-c1cc(F)c(F)c(F)c1)c1c[nH]cn1 ZINC000170650723 495546324 /nfs/dbraw/zinc/54/63/24/495546324.db2.gz PRXNOCDHZHRGPB-UHFFFAOYSA-N -1 0 353.325 3.295 50 0 FGAARM CC(C)n1c2ccccc2nc1[C@H]1CCCN(C(=O)C2(C(=O)[O-])CC2)C1 ZINC000154886690 495762188 /nfs/dbraw/zinc/76/21/88/495762188.db2.gz XGBPCWGNTOXSKD-AWEZNQCLSA-N -1 0 355.438 3.188 50 0 FGAARM Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)[C@@H]1CC[C@H](C(=O)[O-])O1 ZINC000191608537 496830628 /nfs/dbraw/zinc/83/06/28/496830628.db2.gz PFZUXZGGXQKCKP-VHDGCEQUSA-N -1 0 374.462 3.270 50 0 FGAARM Cc1noc2nc(C3CC3)cc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])c12 ZINC000265624510 497149826 /nfs/dbraw/zinc/14/98/26/497149826.db2.gz YSIBFAHCGCFLKX-MAZHCROVSA-N -1 0 369.421 3.267 50 0 FGAARM CCOc1ccc2c(c1)CN(C(=O)CCc1ccc(C(=O)[O-])cc1)CC2 ZINC000236875861 497161888 /nfs/dbraw/zinc/16/18/88/497161888.db2.gz LFKKURQKXVEPCK-UHFFFAOYSA-N -1 0 353.418 3.301 50 0 FGAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000237320142 497218764 /nfs/dbraw/zinc/21/87/64/497218764.db2.gz IUEJXICDLLWSCQ-UONOGXRCSA-N -1 0 361.344 3.092 50 0 FGAARM COc1cccc(C(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1F ZINC000237332027 497221591 /nfs/dbraw/zinc/22/15/91/497221591.db2.gz IKUYPNUZCVDHRN-UHFFFAOYSA-N -1 0 357.381 3.093 50 0 FGAARM C[C@@H]1CCCC[C@H]1OCC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237390472 497230022 /nfs/dbraw/zinc/23/00/22/497230022.db2.gz KZIQXFOXZDGWPM-SJLPKXTDSA-N -1 0 359.466 3.227 50 0 FGAARM [O-]c1c([C@@H](c2cc(F)c(F)c(F)c2)N2CCCCC2)sc2ncnn12 ZINC000252492288 497306417 /nfs/dbraw/zinc/30/64/17/497306417.db2.gz MHJKPNSWEYCQGB-CYBMUJFWSA-N -1 0 368.384 3.489 50 0 FGAARM O=C([O-])C[C@H](NC(=O)C[C@@H]1OCCc2ccccc21)c1ccc(F)cc1 ZINC000237936664 497317329 /nfs/dbraw/zinc/31/73/29/497317329.db2.gz RFUCAGIORNXEBX-ROUUACIJSA-N -1 0 357.381 3.162 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000237978528 497322470 /nfs/dbraw/zinc/32/24/70/497322470.db2.gz FKBLTNLIPRGMPG-HNNXBMFYSA-N -1 0 367.449 3.078 50 0 FGAARM O=C([O-])C1CCN(C(=O)c2ccn(-c3ccc(Cl)c(Cl)c3)n2)CC1 ZINC000238043018 497332584 /nfs/dbraw/zinc/33/25/84/497332584.db2.gz ARLJYNCFCFSEJZ-UHFFFAOYSA-N -1 0 368.220 3.116 50 0 FGAARM O=C([O-])[C@H]1CCCN1Cc1ncc(-c2ccccc2Br)o1 ZINC000238103020 497339736 /nfs/dbraw/zinc/33/97/36/497339736.db2.gz REWPOAYSYWRCMW-GFCCVEGCSA-N -1 0 351.200 3.153 50 0 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ZINC000040288514 494140647 /nfs/dbraw/zinc/14/06/47/494140647.db2.gz PTIYIRSNPIHINH-ZDUSSCGKSA-N -1 0 350.415 3.487 50 0 FGAARM O=C([O-])C1(NC(=O)CSc2ccc(C(F)(F)F)cn2)CCCCC1 ZINC000072274644 494147900 /nfs/dbraw/zinc/14/79/00/494147900.db2.gz XWGPGFXPAAVRGR-UHFFFAOYSA-N -1 0 362.373 3.096 50 0 FGAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc2nccnc21 ZINC000072314672 494152010 /nfs/dbraw/zinc/15/20/10/494152010.db2.gz FMKGMMHDUZIQJO-SFHVURJKSA-N -1 0 374.400 3.172 50 0 FGAARM O=C(c1cc(=O)n(-c2ccccc2)[n-]1)N1CCC[C@@H]1c1ccc(F)cc1 ZINC000072421105 494169199 /nfs/dbraw/zinc/16/91/99/494169199.db2.gz CIOZANRJXCWZEF-GOSISDBHSA-N -1 0 351.381 3.282 50 0 FGAARM CCOc1ccccc1[N-]S(=O)(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000011906589 494196391 /nfs/dbraw/zinc/19/63/91/494196391.db2.gz IDTWLKVQIAYHOW-UHFFFAOYSA-N -1 0 374.462 3.403 50 0 FGAARM CSc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)cc1 ZINC000012039878 494200525 /nfs/dbraw/zinc/20/05/25/494200525.db2.gz PWNGJCSNGCSJSE-UHFFFAOYSA-N -1 0 357.460 3.196 50 0 FGAARM O=C([O-])CS[C@H]1CCCCC1N=Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000022018671 494513720 /nfs/dbraw/zinc/51/37/20/494513720.db2.gz BWDZQBFGJQBJFT-XDUBLRSXSA-N -1 0 368.371 3.031 50 0 FGAARM Cc1ccc(-n2[nH][n-]c3c(=O)n(-c4ccc(C)c(F)c4)c(=O)c2=3)cc1C ZINC000023125725 494550725 /nfs/dbraw/zinc/55/07/25/494550725.db2.gz KMNJHYZWBIYVRN-IAGOWNOFSA-N -1 0 352.369 3.249 50 0 FGAARM CCCCc1ccc(N2C(=O)C[C@H](Nc3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000025665207 494768011 /nfs/dbraw/zinc/76/80/11/494768011.db2.gz XLVUSJATWBCOSQ-SFHVURJKSA-N -1 0 366.417 3.471 50 0 FGAARM CCc1noc(-c2c(C)[nH]c(C)c2S(=O)(=O)[N-]c2ccc(F)cc2)n1 ZINC000075505085 494780837 /nfs/dbraw/zinc/78/08/37/494780837.db2.gz JMKQROGFSSCQRW-UHFFFAOYSA-N -1 0 364.402 3.184 50 0 FGAARM CCc1ccc([N-]S(=O)(=O)c2c(C)[nH]c(C)c2-c2nc(C)no2)cc1 ZINC000075505046 494781391 /nfs/dbraw/zinc/78/13/91/494781391.db2.gz RVFLZYNDYKBVMH-UHFFFAOYSA-N -1 0 360.439 3.353 50 0 FGAARM Cc1cc(C)c(S(=O)(=O)Nc2cccc3c2ccn3C)cc1C(=O)[O-] ZINC000075582453 494799097 /nfs/dbraw/zinc/79/90/97/494799097.db2.gz BSPRIJLBCHDAAN-UHFFFAOYSA-N -1 0 358.419 3.294 50 0 FGAARM CN(C)c1ccccc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095360337 494963706 /nfs/dbraw/zinc/96/37/06/494963706.db2.gz GBSGHHYIFZHZCT-KRWDZBQOSA-N -1 0 352.434 3.471 50 0 FGAARM CN(Cc1nccs1)[C@H](C(=O)[O-])c1ccc(NC(=O)N2CCCC2)cc1 ZINC000095367675 494965738 /nfs/dbraw/zinc/96/57/38/494965738.db2.gz VJVZLTMVUMPHGF-INIZCTEOSA-N -1 0 374.466 3.029 50 0 FGAARM Cc1nn(C(F)F)c(C)c1CC(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000095424912 494975131 /nfs/dbraw/zinc/97/51/31/494975131.db2.gz RZXRXLXJFOKWSN-QLJPJBMISA-N -1 0 365.380 3.016 50 0 FGAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N2CCC3(CCCC3)C2)cc1 ZINC000095989937 494993646 /nfs/dbraw/zinc/99/36/46/494993646.db2.gz IDPHEVYXKDXKTE-UHFFFAOYSA-N -1 0 353.422 3.285 50 0 FGAARM COc1ccc(-n2cc([O-])c(C(=O)NC3(c4cccc(F)c4)CC3)n2)cc1 ZINC000095997711 494993687 /nfs/dbraw/zinc/99/36/87/494993687.db2.gz PPZSGKGDMYZZJV-UHFFFAOYSA-N -1 0 367.380 3.145 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnn(-c3ccc(Cl)cc3Cl)c2)C1 ZINC000136116886 495357565 /nfs/dbraw/zinc/35/75/65/495357565.db2.gz BZSQTVSZGMQPEH-JTQLQIEISA-N -1 0 368.220 3.116 50 0 FGAARM CC(C)CC(=O)Nc1ccc(C(=O)NCCCCCC(=O)[O-])cc1F ZINC000170675922 495557294 /nfs/dbraw/zinc/55/72/94/495557294.db2.gz MYUSFVBMDVUMSG-UHFFFAOYSA-N -1 0 352.406 3.185 50 0 FGAARM CC(C)c1cccc(-n2cc([O-])c(C(=O)N(C)C[C@@H]3CCCOC3)n2)c1 ZINC000176292178 495582808 /nfs/dbraw/zinc/58/28/08/495582808.db2.gz GOUWEDDJQBRDHE-HNNXBMFYSA-N -1 0 357.454 3.200 50 0 FGAARM O=S(=O)([N-]c1nnc(CC2CCCCC2)o1)c1ccc2c(c1)CCC2 ZINC000194894970 496752717 /nfs/dbraw/zinc/75/27/17/496752717.db2.gz RSDHVNKWLAWZSY-UHFFFAOYSA-N -1 0 361.467 3.482 50 0 FGAARM Cc1noc([C@@H]2CCCCN2Cc2cc(Cl)ccc2OCC(=O)[O-])n1 ZINC000215098796 496977315 /nfs/dbraw/zinc/97/73/15/496977315.db2.gz DGTVDJFQROMOMI-AWEZNQCLSA-N -1 0 365.817 3.222 50 0 FGAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)C2CCCCCC2)cc1 ZINC000218229972 497000991 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COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)cc1C(=O)[O-] ZINC000237319861 497219143 /nfs/dbraw/zinc/21/91/43/497219143.db2.gz BWWOJVVCZBVCSN-GXTWGEPZSA-N -1 0 361.344 3.092 50 0 FGAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000237969145 497321281 /nfs/dbraw/zinc/32/12/81/497321281.db2.gz RNWNCSDTBZBGIK-WDSOQIARSA-N -1 0 367.449 3.049 50 0 FGAARM O=C([O-])c1ccc(CNC(=O)C2(c3cccc(Cl)c3)CCOCC2)cc1 ZINC000238106057 497340625 /nfs/dbraw/zinc/34/06/25/497340625.db2.gz RXKOYGUALRLNMJ-UHFFFAOYSA-N -1 0 373.836 3.403 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(OC(F)F)c2)C[C@H]1c1ccccc1 ZINC000262993118 497676271 /nfs/dbraw/zinc/67/62/71/497676271.db2.gz VMPPQHYTOLMVTA-JKSUJKDBSA-N -1 0 361.344 3.228 50 0 FGAARM CC1(C)CCc2cccc(NC(=O)c3ccc(-c4nc(=O)o[n-]4)cc3)c2O1 ZINC000530275674 503904983 /nfs/dbraw/zinc/90/49/83/503904983.db2.gz HETRIQZXVAFHFA-UHFFFAOYSA-N -1 0 365.389 3.386 50 0 FGAARM CC(C)N(C(=O)c1ccccc1-c1cnc2cc(C(=O)[O-])nn2c1)C(C)C ZINC000534652333 504203547 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O=C(c1c[nH]c(-c2nnc3n2-c2ccccc2CC3)c1)c1ccccc1[O-] ZINC000065474541 221223924 /nfs/dbraw/zinc/22/39/24/221223924.db2.gz WNKFUVAOJZPHKC-UHFFFAOYSA-N -1 0 356.385 3.298 50 0 FGAARM C[C@@H](C(=O)[N-]OCc1ccccc1)N1C(=S)N=NC1c1cccs1 ZINC000065590274 221235106 /nfs/dbraw/zinc/23/51/06/221235106.db2.gz LEXUNUYFLURVMW-NSHDSACASA-N -1 0 360.464 3.104 50 0 FGAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2n1 ZINC000067225531 221248497 /nfs/dbraw/zinc/24/84/97/221248497.db2.gz UQDZVDNQSQMQIH-UHFFFAOYSA-N -1 0 370.718 3.256 50 0 FGAARM Cc1cc(NC(=O)Cc2ccccc2C(=O)[O-])n(-c2ccc(F)cc2)n1 ZINC000071279877 221336834 /nfs/dbraw/zinc/33/68/34/221336834.db2.gz FOHSTAWENYQKIO-UHFFFAOYSA-N -1 0 353.353 3.199 50 0 FGAARM CCN(CC)S(=O)(=O)[N-]C(=O)c1cc2sc3ccccc3c2s1 ZINC000069416017 221325281 /nfs/dbraw/zinc/32/52/81/221325281.db2.gz QBTANITWRLJOSF-UHFFFAOYSA-N -1 0 368.505 3.432 50 0 FGAARM CCCCCC[C@@](C)(NC(=O)c1ccc(N2CCOCC2)cc1)C(=O)[O-] ZINC000095991827 132216494 /nfs/dbraw/zinc/21/64/94/132216494.db2.gz DYJNQLRBLRCJFS-HXUWFJFHSA-N -1 0 362.470 3.067 50 0 FGAARM O=C([O-])[C@H]1CN(C(=O)c2cc(F)c(F)cc2Cl)c2ccccc2O1 ZINC000013435689 132306656 /nfs/dbraw/zinc/30/66/56/132306656.db2.gz KINNMAGJMOCIRU-CQSZACIVSA-N -1 0 353.708 3.111 50 0 FGAARM COCCN1CCCc2ccc([N-]S(=O)(=O)c3ccccc3F)cc21 ZINC000035588201 136118190 /nfs/dbraw/zinc/11/81/90/136118190.db2.gz IJETVAGOJMZRCD-UHFFFAOYSA-N -1 0 364.442 3.026 50 0 FGAARM Cc1ccccc1C[C@]1(C(=O)[O-])CCCN(c2ncnc3[nH]ccc32)C1 ZINC000071776228 136141065 /nfs/dbraw/zinc/14/10/65/136141065.db2.gz QZVZQUKVGPDXSH-HXUWFJFHSA-N -1 0 350.422 3.180 50 0 FGAARM Cc1[nH]c(C)c(S(=O)(=O)[N-]c2ccccc2)c1-c1nnc(C2CC2)o1 ZINC000075505010 221583670 /nfs/dbraw/zinc/58/36/70/221583670.db2.gz OXULMNGZOFHRBQ-UHFFFAOYSA-N -1 0 358.423 3.360 50 0 FGAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2C(F)(F)F)C1 ZINC000091487151 221764602 /nfs/dbraw/zinc/76/46/02/221764602.db2.gz FXCDYYORUAQMOD-MRXNPFEDSA-N -1 0 359.344 3.049 50 0 FGAARM Cc1nnc(-c2[nH]c(C)c(S(=O)(=O)[N-]c3cccc(Cl)c3)c2C)o1 ZINC000096379397 222117116 /nfs/dbraw/zinc/11/71/16/222117116.db2.gz PASVHIZHSPGFHP-UHFFFAOYSA-N -1 0 366.830 3.444 50 0 FGAARM O=C([O-])COc1ccc(/C=C2/N=C(c3ccccc3Cl)OC2=O)cc1 ZINC000096634999 222126013 /nfs/dbraw/zinc/12/60/13/222126013.db2.gz PEIRJCPGAWWJSW-OQLLNIDSSA-N -1 0 357.749 3.148 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1 ZINC000101167616 222265728 /nfs/dbraw/zinc/26/57/28/222265728.db2.gz RWGAGAVUHJZBAZ-CVEARBPZSA-N -1 0 354.797 3.142 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccc(Cl)cc4)c=3c2=O)cc1 ZINC000101417365 222274103 /nfs/dbraw/zinc/27/41/03/222274103.db2.gz VZXZQSLYHXDIDD-JKSUJKDBSA-N -1 0 354.797 3.142 50 0 FGAARM CCOc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)n(CC)c3=O)cc1 ZINC000102333721 222293454 /nfs/dbraw/zinc/29/34/54/222293454.db2.gz TZQKULSLBJGTJF-UHFFFAOYSA-N -1 0 369.446 3.356 50 0 FGAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000004614891 263335123 /nfs/dbraw/zinc/33/51/23/263335123.db2.gz WITFGJWYOOZZBW-NWDGAFQWSA-N -1 0 353.440 3.317 50 0 FGAARM CCCc1cc(C(=O)OC)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000004614898 263335265 /nfs/dbraw/zinc/33/52/65/263335265.db2.gz KTZCBWJEZJUODT-RYUDHWBXSA-N -1 0 351.424 3.093 50 0 FGAARM Cc1ccccc1-n1cnnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000008559681 263356163 /nfs/dbraw/zinc/35/61/63/263356163.db2.gz LYKQTBMPMMZKLH-UHFFFAOYSA-N -1 0 355.448 3.166 50 0 FGAARM COc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])cc1 ZINC000037742262 494107872 /nfs/dbraw/zinc/10/78/72/494107872.db2.gz UBWOAPANZPJDBH-UHFFFAOYSA-N -1 0 350.168 3.408 50 0 FGAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC000001040872 493782777 /nfs/dbraw/zinc/78/27/77/493782777.db2.gz KIQVFXVMEABUCN-UHFFFAOYSA-N -1 0 372.240 3.267 50 0 FGAARM COc1c2occc2c(OC)c2c1O[C@@](O)(C(F)(F)C(F)F)C=C2[O-] ZINC000001279981 493791682 /nfs/dbraw/zinc/79/16/82/493791682.db2.gz KTXTWPVUDSUHEE-CQSZACIVSA-N -1 0 364.247 3.004 50 0 FGAARM O=C([O-])c1cc(Cl)nc(I)c1C(F)(F)F ZINC000002386441 493806647 /nfs/dbraw/zinc/80/66/47/493806647.db2.gz IJSAPYIPYDJBHF-UHFFFAOYSA-N -1 0 351.449 3.057 50 0 FGAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccccc1I ZINC000002773323 493818474 /nfs/dbraw/zinc/81/84/74/493818474.db2.gz JJACPDDDRHZTPZ-NXEZZACHSA-N -1 0 373.190 3.121 50 0 FGAARM CCOC(=O)c1c(NC(=O)/C=C(\C)C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000002777170 493819078 /nfs/dbraw/zinc/81/90/78/493819078.db2.gz HKISSIXBOSBTDN-NCXKZPMSSA-N -1 0 351.424 3.019 50 0 FGAARM Cc1nnc([N-]C(NC(=O)OC(C)C)(C(F)(F)F)C(F)(F)F)s1 ZINC000002937618 493826327 /nfs/dbraw/zinc/82/63/27/493826327.db2.gz FKOVCPOLULAMOR-UHFFFAOYSA-N -1 0 366.287 3.214 50 0 FGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 ZINC000004136092 493866350 /nfs/dbraw/zinc/86/63/50/493866350.db2.gz IIFQMULVPXMHCV-JRUMVTRASA-N -1 0 366.461 3.496 50 0 FGAARM CCc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4Cl)c=3c2=O)cc1 ZINC000004483645 493877945 /nfs/dbraw/zinc/87/79/45/493877945.db2.gz NQPZIXVCSOHMDD-IAGOWNOFSA-N -1 0 368.824 3.396 50 0 FGAARM O=C([O-])c1cc(NC(=O)c2cncc(Br)c2)ccc1Cl ZINC000004638722 493884581 /nfs/dbraw/zinc/88/45/81/493884581.db2.gz LBEVEBDQEBHKQX-UHFFFAOYSA-N -1 0 355.575 3.448 50 0 FGAARM COc1cc(S(=O)(=O)[N-]c2ccc(Cl)cn2)c(OC)cc1Cl ZINC000004970442 493904813 /nfs/dbraw/zinc/90/48/13/493904813.db2.gz UTTFMGZPORTSPP-UHFFFAOYSA-N -1 0 363.222 3.206 50 0 FGAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccc2c(c1)CCCN2C(C)=O ZINC000005099507 493913801 /nfs/dbraw/zinc/91/38/01/493913801.db2.gz QRQWNWZUWDGNCD-UHFFFAOYSA-N -1 0 374.462 3.104 50 0 FGAARM COc1ccc(-c2cc3ccc(O[C@H](C)C(=O)[O-])cc3oc2=O)cc1OC ZINC000005234692 493920092 /nfs/dbraw/zinc/92/00/92/493920092.db2.gz TTWOSKSVDBBDJY-LLVKDONJSA-N -1 0 370.357 3.329 50 0 FGAARM O=C([O-])c1cc(N2C(=O)c3ccccc3C2=O)ccc1N1CCCCC1 ZINC000005595476 493936586 /nfs/dbraw/zinc/93/65/86/493936586.db2.gz RLLHNHKSYCPLMR-UHFFFAOYSA-N -1 0 350.374 3.176 50 0 FGAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(Cl)cc2)cc1C ZINC000006086130 493950425 /nfs/dbraw/zinc/95/04/25/493950425.db2.gz XPJURTVWRVEETJ-UHFFFAOYSA-N -1 0 353.827 3.237 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc(Br)cc2C=O)cc1 ZINC000006199440 493954535 /nfs/dbraw/zinc/95/45/35/493954535.db2.gz FCOGODATAMBJPA-UHFFFAOYSA-N -1 0 354.225 3.371 50 0 FGAARM Cc1cc(=O)n(CC(=O)[O-])c2c1c(-c1ccccc1)nn2-c1ccccc1 ZINC000032916910 494027425 /nfs/dbraw/zinc/02/74/25/494027425.db2.gz DJGLKBOXUWBCOQ-UHFFFAOYSA-N -1 0 359.385 3.247 50 0 FGAARM O=S(=O)([N-]c1cccc2cccnc21)c1ccc2c(c1)OCCCO2 ZINC000007709481 494037155 /nfs/dbraw/zinc/03/71/55/494037155.db2.gz FBBPIWOQODHNCI-UHFFFAOYSA-N -1 0 356.403 3.197 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccc(F)c(Cl)c4)c=3c2=O)cc1 ZINC000033114637 494045306 /nfs/dbraw/zinc/04/53/06/494045306.db2.gz RDJSNZCAIMFGJC-HUUCEWRRSA-N -1 0 358.760 3.285 50 0 FGAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)-c1oncc1CO2 ZINC000033171272 494048702 /nfs/dbraw/zinc/04/87/02/494048702.db2.gz ATLVOWWEZWRWLH-UHFFFAOYSA-N -1 0 358.375 3.043 50 0 FGAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4cccc(F)c4)c=3c2=O)cc1Cl ZINC000033274047 494055524 /nfs/dbraw/zinc/05/55/24/494055524.db2.gz QHYRLTUKGOFTKC-HUUCEWRRSA-N -1 0 358.760 3.285 50 0 FGAARM Cc1cccc(OCc2nnc(C(=O)Nc3cccc(C(=O)[O-])c3)s2)c1 ZINC000034927196 494070330 /nfs/dbraw/zinc/07/03/30/494070330.db2.gz ZYLVSCCETQSWOO-UHFFFAOYSA-N -1 0 369.402 3.376 50 0 FGAARM O=C(Nc1cc(Br)c([O-])c(Br)c1)[C@@H]1CCCO1 ZINC000008185979 494075003 /nfs/dbraw/zinc/07/50/03/494075003.db2.gz VYPGCBYBVYFFFV-VIFPVBQESA-N -1 0 365.021 3.035 50 0 FGAARM CCOC(=O)C(=NNc1ccc([N+](=O)[O-])cc1)SCCCC(=O)[O-] ZINC000008383565 494088496 /nfs/dbraw/zinc/08/84/96/494088496.db2.gz YRBQDGKBEVHBMH-CYBMUJFWSA-N -1 0 355.372 3.166 50 0 FGAARM CCc1cc(-c2[nH]nc(C(=O)[O-])c2-c2ccc3c(c2)OCO3)c(O)cc1O ZINC000008466460 494091387 /nfs/dbraw/zinc/09/13/87/494091387.db2.gz LCTWZJKHOGKNMX-UHFFFAOYSA-N -1 0 368.345 3.144 50 0 in-vivo FGAARM CCC(=O)N1CCc2ccc([N-]S(=O)(=O)c3ccc(C)s3)cc2C1 ZINC000008976995 494110478 /nfs/dbraw/zinc/11/04/78/494110478.db2.gz IEMZYGMAGKARJT-UHFFFAOYSA-N -1 0 364.492 3.152 50 0 FGAARM CCOc1ccc(NC(C)=C2C(=O)[N-]C(=O)N(C3CCCCC3)C2=O)cc1 ZINC000009009654 494111709 /nfs/dbraw/zinc/11/17/09/494111709.db2.gz ISNOVVNAGJJCSM-LGMDPLHJSA-N -1 0 371.437 3.182 50 0 FGAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)C(C)(C)CO3)s1 ZINC000009173525 494116794 /nfs/dbraw/zinc/11/67/94/494116794.db2.gz VMYDIVDIAYHRNK-UHFFFAOYSA-N -1 0 366.464 3.214 50 0 FGAARM Cc1ccccc1-c1nc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n[nH]1 ZINC000072191532 494144132 /nfs/dbraw/zinc/14/41/32/494144132.db2.gz NTPPYDDMEMMCMO-UHFFFAOYSA-N -1 0 368.418 3.209 50 0 FGAARM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)C1(C)C ZINC000086338303 494149170 /nfs/dbraw/zinc/14/91/70/494149170.db2.gz DREJTMMAHZAJFJ-ACJLOTCBSA-N -1 0 361.467 3.274 50 0 FGAARM CCOC(=O)C[C@@H](c1ccc(OC)cc1)c1c([O-])c2ccccc2[nH]c1=O ZINC000072326019 494152104 /nfs/dbraw/zinc/15/21/04/494152104.db2.gz STBGTCTXOZFHKJ-INIZCTEOSA-N -1 0 367.401 3.327 50 0 FGAARM CCC(=O)N1CCCc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000012180369 494210080 /nfs/dbraw/zinc/21/00/80/494210080.db2.gz MGCOCQQKEPGCNM-UHFFFAOYSA-N -1 0 362.426 3.316 50 0 FGAARM CCOc1ccccc1NC(=O)c1c([O-])c2ccccc2n(CC)c1=O ZINC000012414626 494230336 /nfs/dbraw/zinc/23/03/36/494230336.db2.gz DSMMONAKFNKIMQ-UHFFFAOYSA-N -1 0 352.390 3.378 50 0 FGAARM Cc1n[n-]c(=S)n1-c1cccc(NC(=O)[C@@H]2COc3ccccc3C2)c1 ZINC000089736187 494350767 /nfs/dbraw/zinc/35/07/67/494350767.db2.gz PNOXNJXFFADZLL-AWEZNQCLSA-N -1 0 366.446 3.428 50 0 FGAARM Cc1ccc(N2N=C(Br)C[C@@H]2C(=O)[O-])c(Br)c1 ZINC000079059217 494398888 /nfs/dbraw/zinc/39/88/88/494398888.db2.gz BWBSZVIJUIIUHE-SECBINFHSA-N -1 0 362.021 3.129 50 0 FGAARM C[C@H]1CN(Cc2nc(=O)c3sc(-c4ccc(F)cc4)cc3[n-]2)C[C@H](C)O1 ZINC000024164512 494611237 /nfs/dbraw/zinc/61/12/37/494611237.db2.gz SESVSPOJPUVVBA-RYUDHWBXSA-N -1 0 373.453 3.400 50 0 FGAARM COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CCC(=O)[O-])c1 ZINC000095116606 494960691 /nfs/dbraw/zinc/96/06/91/494960691.db2.gz IZMFMTSVNSKORF-SFHVURJKSA-N -1 0 352.390 3.238 50 0 FGAARM CN(Cc1cccc(Cl)c1)[C@@H](C(=O)[O-])c1ccc(S(C)(=O)=O)cc1 ZINC000095364102 494964830 /nfs/dbraw/zinc/96/48/30/494964830.db2.gz OGLDUOVFVNKNIC-MRXNPFEDSA-N -1 0 367.854 3.001 50 0 FGAARM O=C([O-])[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccc(Cl)cc1 ZINC000095374534 494967626 /nfs/dbraw/zinc/96/76/26/494967626.db2.gz CSQUUGYJOZCTLG-INIZCTEOSA-N -1 0 355.781 3.081 50 0 FGAARM CN(C)c1ccccc1C(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095379848 494970225 /nfs/dbraw/zinc/97/02/25/494970225.db2.gz DVORYEUBXSHHQQ-QGZVFWFLSA-N -1 0 352.434 3.471 50 0 FGAARM CCc1c(C)nn(CC(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)c1C ZINC000095383370 494971263 /nfs/dbraw/zinc/97/12/63/494971263.db2.gz SDTBPNUXAMWOBZ-SFHVURJKSA-N -1 0 369.465 3.167 50 0 FGAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)c3ccc4nccnc4c3)C2)c1 ZINC000095390771 494973001 /nfs/dbraw/zinc/97/30/01/494973001.db2.gz BOIVSHVMACHTCD-QGZVFWFLSA-N -1 0 361.401 3.348 50 0 FGAARM Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H](C(=O)[O-])c1cccnc1 ZINC000095498150 494980594 /nfs/dbraw/zinc/98/05/94/494980594.db2.gz NLTDYLPSSRMJFI-GOSISDBHSA-N -1 0 351.406 3.386 50 0 FGAARM C[C@@H](Oc1cccc(C(=O)/C=C\c2cccc3c2OCCO3)c1)C(=O)[O-] ZINC000096298110 495009603 /nfs/dbraw/zinc/00/96/03/495009603.db2.gz KSPCKMJPSHLHNX-LJTDUEICSA-N -1 0 354.358 3.206 50 0 FGAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1ccc(SC2CCCCC2)o1 ZINC000097499672 495037346 /nfs/dbraw/zinc/03/73/46/495037346.db2.gz CBKNGPZZSCQQTC-INIZCTEOSA-N -1 0 361.467 3.439 50 0 FGAARM Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)c2c([O-])cccc2F)o1 ZINC000186836580 496173988 /nfs/dbraw/zinc/17/39/88/496173988.db2.gz DDKUMMGJZBTIMI-OAHLLOKOSA-N -1 0 353.353 3.163 50 0 FGAARM O=C([O-])C(C(=O)/C=C\c1ccc([N+](=O)[O-])cc1)=C1SCCCS1 ZINC000169620459 496716395 /nfs/dbraw/zinc/71/63/95/496716395.db2.gz GUHJBXGNKIFIIG-DAXSKMNVSA-N -1 0 351.405 3.343 50 0 FGAARM COC(=O)C[C@H](c1c(=O)nc2ccc(Cl)cn2c1[O-])C1CCCCC1 ZINC000205967653 496973498 /nfs/dbraw/zinc/97/34/98/496973498.db2.gz KCCGWUVYJUGUFM-ZDUSSCGKSA-N -1 0 364.829 3.281 50 0 FGAARM CC(=O)c1ccc(O)c([C@H](CC(=O)[O-])c2ccnc3ccccc32)c1O ZINC000217601731 496997943 /nfs/dbraw/zinc/99/79/43/496997943.db2.gz WQBBWLFFLBQBLE-OAHLLOKOSA-N -1 0 351.358 3.455 50 0 FGAARM CO[C@@H]1C[C@@H](C(=O)[O-])N(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000225518992 497066149 /nfs/dbraw/zinc/06/61/49/497066149.db2.gz GOESKKWJKIVPTO-SJORKVTESA-N -1 0 356.378 3.185 50 0 FGAARM CC(C)(C)c1ccc([C@@H]2CCCN2C(=O)CN2CCC[C@H]2C(=O)[O-])cc1 ZINC000236701067 497134789 /nfs/dbraw/zinc/13/47/89/497134789.db2.gz YKCRTRWGQBEMMT-ROUUACIJSA-N -1 0 358.482 3.197 50 0 FGAARM CCC(CC)(CNC(=O)C1(c2ccc(F)cc2F)CCOCC1)C(=O)[O-] ZINC000236827725 497153339 /nfs/dbraw/zinc/15/33/39/497153339.db2.gz ZBXPDCGQXSTADX-UHFFFAOYSA-N -1 0 369.408 3.020 50 0 FGAARM COc1ccccc1CC(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000237121137 497193601 /nfs/dbraw/zinc/19/36/01/497193601.db2.gz RKXBNAVAYBVAMN-UHFFFAOYSA-N -1 0 363.360 3.019 50 0 FGAARM CCn1nc(C(C)C)cc1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237173840 497201138 /nfs/dbraw/zinc/20/11/38/497201138.db2.gz KDXBASZBATWMSA-UHFFFAOYSA-N -1 0 369.465 3.285 50 0 FGAARM COc1cc(CNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)ccc1C(=O)[O-] ZINC000237316873 497219245 /nfs/dbraw/zinc/21/92/45/497219245.db2.gz DDJQXAGEHLVCFK-LSDHHAIUSA-N -1 0 361.344 3.092 50 0 FGAARM COc1ccc(Br)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1 ZINC000237316540 497219345 /nfs/dbraw/zinc/21/93/45/497219345.db2.gz TXISAVFWJJCJIW-NSHDSACASA-N -1 0 370.243 3.175 50 0 FGAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)c1cccc(N2CCCC2=O)c1 ZINC000237667989 497272423 /nfs/dbraw/zinc/27/24/23/497272423.db2.gz QYDCBIXRNPMLHJ-SFHVURJKSA-N -1 0 366.417 3.068 50 0 FGAARM Cc1cc(C)n(Cc2cccc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])c2)n1 ZINC000237666156 497272638 /nfs/dbraw/zinc/27/26/38/497272638.db2.gz XGMOKRRIYDPQEH-IBGZPJMESA-N -1 0 369.465 3.408 50 0 FGAARM Cc1nc(COc2ccc(/C=C/C(=O)N3CCC[C@H]3C(=O)[O-])cc2)cs1 ZINC000237742953 497285596 /nfs/dbraw/zinc/28/55/96/497285596.db2.gz TZIPKKNRTYGFAN-NADMHLTPSA-N -1 0 372.446 3.119 50 0 FGAARM COC(=O)c1ccc(C(=O)Nc2ccc(Br)c(C)c2F)[nH]1 ZINC000253418989 497332787 /nfs/dbraw/zinc/33/27/87/497332787.db2.gz HVFKOGJBQYGELX-UHFFFAOYSA-N -1 0 355.163 3.264 50 0 FGAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000238062706 497334815 /nfs/dbraw/zinc/33/48/15/497334815.db2.gz BWEQWLCZPYDWPT-GOSISDBHSA-N -1 0 357.381 3.057 50 0 FGAARM O=C([O-])[C@H]1CCCN1CC(=O)N[C@@H](c1ccccc1)c1cccc(Cl)c1 ZINC000238093842 497338570 /nfs/dbraw/zinc/33/85/70/497338570.db2.gz PNZKKLINHULZIU-MJGOQNOKSA-N -1 0 372.852 3.095 50 0 FGAARM COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(OC)c1O ZINC000254292893 497347744 /nfs/dbraw/zinc/34/77/44/497347744.db2.gz CSJIUQZXVRTSOD-UHFFFAOYSA-N -1 0 350.758 3.207 50 0 FGAARM O=C(N[C@H](c1cccs1)[C@H]1C[C@@H](O)C1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000240128365 497351573 /nfs/dbraw/zinc/35/15/73/497351573.db2.gz IQLKPSPWFICQJJ-RVPKQNPDSA-N -1 0 372.421 3.383 50 0 FGAARM CCCOc1ccc2c(c1)CCN(C(=O)c1c(C)coc1CC(=O)[O-])C2 ZINC000262852812 497637181 /nfs/dbraw/zinc/63/71/81/497637181.db2.gz DIIFLSUTKBYONB-UHFFFAOYSA-N -1 0 357.406 3.202 50 0 FGAARM O=C([O-])c1cnn(C2CCN(C(=O)c3cc4c(s3)CCCCC4)CC2)c1 ZINC000263077731 497699755 /nfs/dbraw/zinc/69/97/55/497699755.db2.gz CQWPLSOWPDVMKW-UHFFFAOYSA-N -1 0 373.478 3.389 50 0 FGAARM Brc1cccc(N2CC[C@H](CN=c3[n-]nc(C4CC4)o3)C2)c1 ZINC000329368349 499109851 /nfs/dbraw/zinc/10/98/51/499109851.db2.gz JDNCDADNWPDCCQ-LLVKDONJSA-N -1 0 363.259 3.070 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)ccc1C(=O)[O-] ZINC000237319810 522431524 /nfs/dbraw/zinc/43/15/24/522431524.db2.gz ZKPWEVZMAVWZRV-KBPBESRZSA-N -1 0 361.344 3.092 50 0 FGAARM Cn1c(=O)c(-c2nc(-c3ccccc3F)no2)c([O-])c2cc(F)ccc21 ZINC000101725144 570822461 /nfs/dbraw/zinc/82/24/61/570822461.db2.gz YNTFJKGHFCBXJR-UHFFFAOYSA-N -1 0 355.300 3.239 50 0 FGAARM Cc1cccc(-c2noc(-c3c([O-])c4cc(F)ccc4n(C)c3=O)n2)c1 ZINC000101725223 570822848 /nfs/dbraw/zinc/82/28/48/570822848.db2.gz HXTVZHHPHWDRGI-UHFFFAOYSA-N -1 0 351.337 3.409 50 0 FGAARM CCc1ccccc1-n1[nH][n-]c2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c1=2 ZINC000102819594 570839906 /nfs/dbraw/zinc/83/99/06/570839906.db2.gz ASYVONOHGSXQKZ-DLBZAZTESA-N -1 0 352.369 3.194 50 0 FGAARM CNC(=O)c1cccc(NC(=O)[C@@](C)(CC(=O)[O-])C2CCCCC2)c1C ZINC000169975523 571259830 /nfs/dbraw/zinc/25/98/30/571259830.db2.gz FIUBWXPAKUTGLJ-FQEVSTJZSA-N -1 0 360.454 3.354 50 0 FGAARM C[C@@H](CN(C)C(=O)C(C)(C)Sc1ccc(Br)cc1)C(=O)[O-] ZINC000170045293 571260970 /nfs/dbraw/zinc/26/09/70/571260970.db2.gz FCYPHWIHEBKZQE-JTQLQIEISA-N -1 0 374.300 3.499 50 0 FGAARM O=C([O-])[C@H](CNC(=O)c1ccc(N2CCCCCC2)nc1)c1ccccc1 ZINC000262543496 601081219 /nfs/dbraw/zinc/08/12/19/601081219.db2.gz VLAUFFIDTKTPRD-GOSISDBHSA-N -1 0 367.449 3.060 50 0 FGAARM Cc1cc(OCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc(C)c1Cl ZINC000237765420 713596702 /nfs/dbraw/zinc/59/67/02/713596702.db2.gz YCZADYYNPXGUMN-AWEZNQCLSA-N -1 0 353.846 3.439 50 0 FGAARM CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000170643477 222611621 /nfs/dbraw/zinc/61/16/21/222611621.db2.gz GHWFFXXQGGWJIS-LRDDRELGSA-N -1 0 359.495 3.263 50 0 FGAARM Cc1cc2c(c(=O)o1)[C@@H](c1ccc(-c3ccc(C(=O)[O-])cc3)o1)CC(=O)O2 ZINC000218015142 222675435 /nfs/dbraw/zinc/67/54/35/222675435.db2.gz DBLXNHUKSSSLPU-CYBMUJFWSA-N -1 0 366.325 3.347 50 0 FGAARM COc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)[O-])c1 ZINC000000070132 219305443 /nfs/dbraw/zinc/30/54/43/219305443.db2.gz CRWJYKHGSVVZPT-UHFFFAOYSA-N -1 0 350.168 3.408 50 0 FGAARM Cc1ccc(N2C(=O)C[C@H](Sc3ccccc3C(=O)[O-])C2=O)c(C)c1 ZINC000000629074 219306460 /nfs/dbraw/zinc/30/64/60/219306460.db2.gz KSWGVLALPBTFPF-INIZCTEOSA-N -1 0 355.415 3.426 50 0 FGAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cc3ccncc3)cc1)C2=O ZINC000000781887 219320263 /nfs/dbraw/zinc/32/02/63/219320263.db2.gz IHIOMYIUXDASKW-UHFFFAOYSA-N -1 0 358.353 3.171 50 0 FGAARM O=C([O-])CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 ZINC000000808241 219324380 /nfs/dbraw/zinc/32/43/80/219324380.db2.gz JVJRLHNCSKYQBW-LJQANCHMSA-N -1 0 374.400 3.172 50 0 FGAARM COc1cccc(NC(=O)c2ccc(NC(=O)CCCC(=O)[O-])cc2)c1 ZINC000000991828 219351364 /nfs/dbraw/zinc/35/13/64/219351364.db2.gz OTEIQHFGGMEFGL-UHFFFAOYSA-N -1 0 356.378 3.141 50 0 FGAARM COc1cc(CO)cc(Br)c1OCc1ccc(C(=O)[O-])cc1 ZINC000000982607 219350056 /nfs/dbraw/zinc/35/00/56/219350056.db2.gz PEGJVTINIIQLGE-UHFFFAOYSA-N -1 0 367.195 3.227 50 0 FGAARM C[C@@H]1CC[C@@H](CCC(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)O1 ZINC000237377183 222906641 /nfs/dbraw/zinc/90/66/41/222906641.db2.gz XGHFWJZNEFUCIZ-OCCSQVGLSA-N -1 0 355.381 3.116 50 0 FGAARM CC(C)c1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccc(F)cc4)c(=O)c2=3)cc1 ZINC000004483500 219578204 /nfs/dbraw/zinc/57/82/04/219578204.db2.gz GUVZIEUHAYUEHQ-MSOLQXFVSA-N -1 0 366.396 3.443 50 0 FGAARM COc1cc(NC(=O)COc2cc(C)ccc2C)c(C(=O)[O-])cc1OC ZINC000004724999 219600598 /nfs/dbraw/zinc/60/05/98/219600598.db2.gz KXKFUBQGNSGAJF-UHFFFAOYSA-N -1 0 359.378 3.036 50 0 FGAARM O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000006651532 219742989 /nfs/dbraw/zinc/74/29/89/219742989.db2.gz FFLGXWSATFAALD-UHFFFAOYSA-N -1 0 364.279 3.385 50 0 FGAARM O=C([O-])c1cnn(-c2nccc(-c3ccccc3F)n2)c1-c1ccco1 ZINC000299772602 223088888 /nfs/dbraw/zinc/08/88/88/223088888.db2.gz ADMLAFBOPGJAFR-UHFFFAOYSA-N -1 0 350.309 3.427 50 0 FGAARM CSCC[C@H](NC(=O)c1sc(-c2ccccc2F)nc1C)C(=O)[O-] ZINC000012391863 219988740 /nfs/dbraw/zinc/98/87/40/219988740.db2.gz WKRGODGVRZPYAU-LBPRGKRZSA-N -1 0 368.455 3.194 50 0 FGAARM O=C([O-])c1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)cc1 ZINC000012556208 220007391 /nfs/dbraw/zinc/00/73/91/220007391.db2.gz JEDGDDJTGQQZKU-YJBOKZPZSA-N -1 0 352.390 3.130 50 0 FGAARM O=C([O-])c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)ccc1F ZINC000012770096 220027036 /nfs/dbraw/zinc/02/70/36/220027036.db2.gz GYIQPGOTRHLIRJ-UHFFFAOYSA-N -1 0 363.288 3.344 50 0 FGAARM Cc1nn(C)c2nc(C)c(CCC(=O)Nc3ccccc3C(=O)[O-])c(C)c12 ZINC000012990916 220049512 /nfs/dbraw/zinc/04/95/12/220049512.db2.gz WFKCLKJVCZOSMZ-UHFFFAOYSA-N -1 0 366.421 3.163 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)c(F)c2F)ccc1Cl ZINC000013345773 220064896 /nfs/dbraw/zinc/06/48/96/220064896.db2.gz SEKPDJHWPINEFR-UHFFFAOYSA-N -1 0 365.716 3.256 50 0 FGAARM Cc1[n-]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)NCc1ccc(C)cc1 ZINC000014166529 220112591 /nfs/dbraw/zinc/11/25/91/220112591.db2.gz AWJDMJCOJWSXJI-UHFFFAOYSA-N -1 0 367.424 3.171 50 0 FGAARM Cc1c(C(=O)Nc2ccc(C(=O)[O-])cc2)nnn1-c1ccc(C)c(C)c1 ZINC000016579244 220187422 /nfs/dbraw/zinc/18/74/22/220187422.db2.gz INOQMHKJILJBPH-UHFFFAOYSA-N -1 0 350.378 3.143 50 0 FGAARM CCOC(=O)c1ccsc1NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000017072903 220202224 /nfs/dbraw/zinc/20/22/24/220202224.db2.gz WNXDVMAMZKSKDW-XYJRBWASSA-N -1 0 351.424 3.000 50 0 FGAARM O=C([N-]n1c(=O)c2c3c(sc2[nH]c1=S)CCCCC3)c1ccco1 ZINC000017074429 220203634 /nfs/dbraw/zinc/20/36/34/220203634.db2.gz YDYDQIIEFIUOGI-UHFFFAOYSA-N -1 0 361.448 3.366 50 0 FGAARM CCc1c(C)sc(NC(=O)/C=C/C(=O)[O-])c1C(=O)NCc1ccccc1 ZINC000017076250 220204860 /nfs/dbraw/zinc/20/48/60/220204860.db2.gz GHEICURXZNDPLI-MDZDMXLPSA-N -1 0 372.446 3.128 50 0 FGAARM COc1ccc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)cc1OC ZINC000017075601 220205263 /nfs/dbraw/zinc/20/52/63/220205263.db2.gz NMROJBCKMVBTJP-SNVBAGLBSA-N -1 0 368.480 3.086 50 0 FGAARM Cc1nc2sc([C@H](c3cccc(C)c3)N3C[C@@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000017122791 220207202 /nfs/dbraw/zinc/20/72/02/220207202.db2.gz CXDQOYMOKGYSCU-ZENOOKHLSA-N -1 0 372.494 3.312 50 0 FGAARM O=C([O-])c1ccc(NC(=O)COc2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000019898398 220304131 /nfs/dbraw/zinc/30/41/31/220304131.db2.gz JOBNYHZWNYSKQF-UHFFFAOYSA-N -1 0 361.222 3.098 50 0 FGAARM COc1cc2c(cc1NC(=O)c1c(C(=O)[O-])cnn1C)oc1ccccc12 ZINC000020614513 220336191 /nfs/dbraw/zinc/33/61/91/220336191.db2.gz KRDDKMFKJZPMDU-UHFFFAOYSA-N -1 0 365.345 3.279 50 0 FGAARM O=C(Nc1c(=O)oc2ccccc2c1[O-])c1ccc(Br)o1 ZINC000020854473 220342468 /nfs/dbraw/zinc/34/24/68/220342468.db2.gz OCGYKUKFKBMFBR-UHFFFAOYSA-N -1 0 350.124 3.106 50 0 FGAARM CCc1nc2sc([C@@H](c3ccc(CC)cc3)N3CCOCC3)c([O-])n2n1 ZINC000022854241 220399823 /nfs/dbraw/zinc/39/98/23/220399823.db2.gz KMBVCSZRFGRTRK-MRXNPFEDSA-N -1 0 372.494 3.043 50 0 FGAARM CNC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1Cl ZINC000055151230 221059857 /nfs/dbraw/zinc/05/98/57/221059857.db2.gz WYSMDMPPZGGBHN-UHFFFAOYSA-N -1 0 352.818 3.063 50 0 FGAARM CCc1cc(=O)[nH]c(-c2cccc(NC(=O)CC(CC)(CC)C(=O)[O-])c2)n1 ZINC000055149682 221059947 /nfs/dbraw/zinc/05/99/47/221059947.db2.gz CEKYCMPYSKXQGB-UHFFFAOYSA-N -1 0 371.437 3.219 50 0 FGAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(C(=O)N2CCCCCC2)cc1 ZINC000055150735 221060492 /nfs/dbraw/zinc/06/04/92/221060492.db2.gz IOWMAHLKRBIZPD-MSOLQXFVSA-N -1 0 370.449 3.308 50 0 FGAARM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccc(F)cc2Cl)c1 ZINC000057121945 221084077 /nfs/dbraw/zinc/08/40/77/221084077.db2.gz VFNUCRZMNWNHAU-UHFFFAOYSA-N -1 0 372.805 3.247 50 0 FGAARM Cc1cc2cc(NS(=O)(=O)c3cc(C(=O)[O-])cc4c3CCC4)ccc2[nH]1 ZINC000058356908 221115836 /nfs/dbraw/zinc/11/58/36/221115836.db2.gz JVTJVSXCAWTTCG-UHFFFAOYSA-N -1 0 370.430 3.464 50 0 FGAARM Cc1nnc(-c2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)s2)o1 ZINC000064920060 221155554 /nfs/dbraw/zinc/15/55/54/221155554.db2.gz HCMJQSPWCBPBTD-UHFFFAOYSA-N -1 0 353.400 3.355 50 0 FGAARM CC(=O)c1cccc([N-]S(=O)(=O)c2ccc(-c3nnc(C)o3)s2)c1 ZINC000064920034 221155875 /nfs/dbraw/zinc/15/58/75/221155875.db2.gz GOMRVTSESJIZAZ-UHFFFAOYSA-N -1 0 363.420 3.110 50 0 FGAARM Cc1nnc(-c2c(C)n(C)c(C)c2S(=O)(=O)[N-]c2cccc(C)c2)o1 ZINC000065194143 221176963 /nfs/dbraw/zinc/17/69/63/221176963.db2.gz BVGJJRAFRYSVAL-UHFFFAOYSA-N -1 0 360.439 3.110 50 0 FGAARM CC(=O)N1CCc2sc(S(=O)(=O)[N-]c3cccc(Cl)c3)cc2C1 ZINC000065196092 221178842 /nfs/dbraw/zinc/17/88/42/221178842.db2.gz WLABZRSRMCPOTL-UHFFFAOYSA-N -1 0 370.883 3.107 50 0 FGAARM Cc1ccc(F)cc1[N-]S(=O)(=O)c1cc(-c2ccnn2C)cs1 ZINC000065112381 221169742 /nfs/dbraw/zinc/16/97/42/221169742.db2.gz UWJSZLVBBUIMNZ-UHFFFAOYSA-N -1 0 351.428 3.397 50 0 FGAARM CC(C)n1c2ccccc2nc1[C@@H]1CC(=O)Nc2cc(O)c(C(=O)[O-])cc21 ZINC000065376626 221205918 /nfs/dbraw/zinc/20/59/18/221205918.db2.gz GIKHGFTXOQZPKW-GFCCVEGCSA-N -1 0 365.389 3.495 50 0 FGAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1cc(C)nc2cc(Cl)ccc21 ZINC000065506507 221228830 /nfs/dbraw/zinc/22/88/30/221228830.db2.gz AITVDGLAFJQWTL-UHFFFAOYSA-N -1 0 372.812 3.347 50 0 FGAARM CCOc1ccc(NC(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)cc1F ZINC000065552599 221232180 /nfs/dbraw/zinc/23/21/80/221232180.db2.gz PVJFZZOVVLISMV-UHFFFAOYSA-N -1 0 359.382 3.002 50 0 FGAARM CN(C)C(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1Cl ZINC000067456653 221253663 /nfs/dbraw/zinc/25/36/63/221253663.db2.gz UOUKNEPPZZWNKB-UHFFFAOYSA-N -1 0 352.818 3.015 50 0 FGAARM CCc1c[nH]nc1C1CCN(C(=O)c2cc(=O)c3cccc(F)c3[n-]2)CC1 ZINC000067967187 221311144 /nfs/dbraw/zinc/31/11/44/221311144.db2.gz YTQQTAWEWSDPJC-UHFFFAOYSA-N -1 0 368.412 3.385 50 0 FGAARM CCn1ncc(-c2csc(NC(=O)Cc3ccccc3C(=O)[O-])n2)c1C ZINC000071282868 221338246 /nfs/dbraw/zinc/33/82/46/221338246.db2.gz GOSIOXBDQNPYMM-UHFFFAOYSA-N -1 0 370.434 3.214 50 0 FGAARM Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Cc1ccccc1C(=O)[O-] ZINC000071289125 221340325 /nfs/dbraw/zinc/34/03/25/221340325.db2.gz CCQGSOZSULGMLH-UHFFFAOYSA-N -1 0 363.417 3.046 50 0 FGAARM CSCC[C@@H](NC(=O)c1sc(-c2cccc(F)c2)nc1C)C(=O)[O-] ZINC000071334549 221343487 /nfs/dbraw/zinc/34/34/87/221343487.db2.gz URXXXNCOWPTFPW-GFCCVEGCSA-N -1 0 368.455 3.194 50 0 FGAARM COc1cccc(CNc2ncnc3sc(C(=O)[O-])c(C)c32)c1OC ZINC000299763869 533521243 /nfs/dbraw/zinc/52/12/43/533521243.db2.gz GCFDPTFBCLARAU-UHFFFAOYSA-N -1 0 359.407 3.327 50 0 FGAARM O=C([O-])c1csc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)c1 ZINC000031669627 132923179 /nfs/dbraw/zinc/92/31/79/132923179.db2.gz GXRBWVYYIQMATK-UHFFFAOYSA-N -1 0 357.840 3.241 50 0 FGAARM CC(=O)Nc1ccc(N2CCN(c3cc(C)ccc3C)CC2)c(C(=O)[O-])c1 ZINC000033078577 132930580 /nfs/dbraw/zinc/93/05/80/132930580.db2.gz ZCUGXDKUMGZGMF-UHFFFAOYSA-N -1 0 367.449 3.287 50 0 FGAARM O=C([O-])c1ccc(-c2ccccc2)nc1N1CCO[C@@H](C(F)(F)F)C1 ZINC000071752176 136140192 /nfs/dbraw/zinc/14/01/92/136140192.db2.gz JPMOINOUBIDQSN-CQSZACIVSA-N -1 0 352.312 3.214 50 0 FGAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3cccc(Cl)c3)c(=O)c1=2 ZINC000101168011 222265769 /nfs/dbraw/zinc/26/57/69/222265769.db2.gz YMUXSEKJEDEULK-HOTGVXAUSA-N -1 0 354.797 3.142 50 0 FGAARM CCCCn1c(=O)c(C(=O)Nc2ccc(O)cc2)c([O-])c2ccccc21 ZINC000100477595 222245772 /nfs/dbraw/zinc/24/57/72/222245772.db2.gz WAXSPVPBBBMLJT-UHFFFAOYSA-N -1 0 352.390 3.465 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)Nc3ccc(OC)c(F)c3)cc2[n-]c1=S ZINC000103469669 222336368 /nfs/dbraw/zinc/33/63/68/222336368.db2.gz CRXQIYZEBNZTGQ-UHFFFAOYSA-N -1 0 373.409 3.105 50 0 FGAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4cccc(Cl)c4)c(=O)c2=3)c1 ZINC000101418062 222274476 /nfs/dbraw/zinc/27/44/76/222274476.db2.gz GQHSKKGWCFLXEK-HZPDHXFCSA-N -1 0 354.797 3.142 50 0 FGAARM C[C@@H](c1ccccc1)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102179497 222291144 /nfs/dbraw/zinc/29/11/44/222291144.db2.gz CQPGYDANYVPNFU-LBPRGKRZSA-N -1 0 353.447 3.055 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)Nc3cc(C)ccc3OC)cc2[n-]c1=S ZINC000102344093 222295087 /nfs/dbraw/zinc/29/50/87/222295087.db2.gz SFCLKFPPVHOTTG-UHFFFAOYSA-N -1 0 369.446 3.274 50 0 FGAARM Cn1c(=O)c2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2[n-]c1=S ZINC000102675312 222304030 /nfs/dbraw/zinc/30/40/30/222304030.db2.gz YDTJLQHUKITLSE-KRWDZBQOSA-N -1 0 365.458 3.200 50 0 FGAARM Cc1nc2sc([C@@H](c3cccc(C)c3)N3C[C@H](C)O[C@@H](C)C3)c([O-])n2n1 ZINC000102879099 222311989 /nfs/dbraw/zinc/31/19/89/222311989.db2.gz CXDQOYMOKGYSCU-HEHGZKQESA-N -1 0 372.494 3.312 50 0 FGAARM CCn1c(=O)c2ccc(C(=O)N(C)CCc3ccccc3)cc2[n-]c1=S ZINC000103063638 222319699 /nfs/dbraw/zinc/31/96/99/222319699.db2.gz WEIKXGDTBNNJFZ-UHFFFAOYSA-N -1 0 367.474 3.020 50 0 FGAARM O=S(=O)([N-]c1nc2ccccc2n1-c1ccccc1)c1cccnc1 ZINC000107036468 222389927 /nfs/dbraw/zinc/38/99/27/222389927.db2.gz MOGQCPIEFXJNTK-UHFFFAOYSA-N -1 0 350.403 3.221 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C/CCCC(=O)[O-] ZINC000012503216 263370698 /nfs/dbraw/zinc/37/06/98/263370698.db2.gz XEYBRNLFEZDVAW-BRNHSORCSA-N -1 0 352.471 3.251 50 0 in-vitro FGAARM O=C([O-])/C=C\C(=O)Nc1ccc(Cl)c(NC(=O)c2cccs2)c1 ZINC000032636307 263393059 /nfs/dbraw/zinc/39/30/59/263393059.db2.gz JDJXEYFUOLDOEA-WAYWQWQTSA-N -1 0 350.783 3.233 50 0 FGAARM CC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1 ZINC000034867544 263397606 /nfs/dbraw/zinc/39/76/06/263397606.db2.gz CYQBPZSTNGIVDY-UHFFFAOYSA-N -1 0 353.783 3.042 50 0 FGAARM O=C(Nc1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1)C1CC1 ZINC000028251133 493782520 /nfs/dbraw/zinc/78/25/20/493782520.db2.gz MDWLZYIJCPQIOT-UHFFFAOYSA-N -1 0 350.827 3.489 50 0 FGAARM O=C([O-])c1ccc(F)c(S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)c1 ZINC000002981412 493828310 /nfs/dbraw/zinc/82/83/10/493828310.db2.gz SVKWPOBDPUXGCL-UHFFFAOYSA-N -1 0 372.189 3.088 50 0 FGAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCCC2 ZINC000004646628 493884939 /nfs/dbraw/zinc/88/49/39/493884939.db2.gz UXNZHLIFDKYDMV-MDZDMXLPSA-N -1 0 351.424 3.163 50 0 FGAARM CCOC(=O)c1cc(CC)sc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004894002 493898422 /nfs/dbraw/zinc/89/84/22/493898422.db2.gz AUBHLOYDKRRGGF-RYUDHWBXSA-N -1 0 351.424 3.093 50 0 FGAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC3CCCCCC3)[nH]c2C[C@H]1C ZINC000004912827 493900246 /nfs/dbraw/zinc/90/02/46/493900246.db2.gz YEDPTFYLYMNUJB-ABAIWWIYSA-N -1 0 361.438 3.367 50 0 FGAARM O=C([O-])[C@H](NC(=O)c1cccc2c1-c1ccccc1C2=O)c1ccccc1 ZINC000005203789 493919142 /nfs/dbraw/zinc/91/91/42/493919142.db2.gz JJNHPDOJBUAQDZ-LJQANCHMSA-N -1 0 357.365 3.454 50 0 FGAARM COC(=O)c1[nH]c2ccccc2c1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000005684029 493938970 /nfs/dbraw/zinc/93/89/70/493938970.db2.gz XWLGVMFKSYGYLG-UHFFFAOYSA-N -1 0 370.839 3.470 50 0 FGAARM C[C@H]1CCCC[C@@H]1N(C)C(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000031383027 493941542 /nfs/dbraw/zinc/94/15/42/493941542.db2.gz RBKYRMQYRWKIBL-BBRMVZONSA-N -1 0 359.495 3.486 50 0 FGAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCCC2 ZINC000006179795 493954381 /nfs/dbraw/zinc/95/43/81/493954381.db2.gz ATNBKNFCEODYPQ-UHFFFAOYSA-N -1 0 353.440 3.387 50 0 FGAARM O=C([O-])c1cccc(S(=O)(=O)N2CCCc3cc(Cl)ccc32)c1 ZINC000031669669 493954844 /nfs/dbraw/zinc/95/48/44/493954844.db2.gz VANHWAWMCXVSKM-UHFFFAOYSA-N -1 0 351.811 3.180 50 0 FGAARM O=C([O-])C1[C@H](c2ccccc2)C(C(=O)OCCCCO)[C@H]1c1ccccc1 ZINC000006242078 493955472 /nfs/dbraw/zinc/95/54/72/493955472.db2.gz BTHQPGCSLMVFDA-VCAKUFKGSA-N -1 0 368.429 3.200 50 0 FGAARM CCCOc1ccc(Br)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000031903918 493965274 /nfs/dbraw/zinc/96/52/74/493965274.db2.gz CGUDKOOUGSRZPY-UHFFFAOYSA-N -1 0 371.256 3.434 50 0 FGAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1)C(=O)[O-] ZINC000006616349 493970958 /nfs/dbraw/zinc/97/09/58/493970958.db2.gz MYXJXYANNGCHDR-LLVKDONJSA-N -1 0 373.780 3.136 50 0 FGAARM CCOc1ccc(Br)cc1S(=O)(=O)[N-]c1cccc(C)n1 ZINC000006706874 493975020 /nfs/dbraw/zinc/97/50/20/493975020.db2.gz QEEOIEIKXMWOGQ-UHFFFAOYSA-N -1 0 371.256 3.352 50 0 FGAARM CCOC(=O)c1c(C)n(C)c(C)c1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000006887605 493984913 /nfs/dbraw/zinc/98/49/13/493984913.db2.gz JJTLQTKPGXWTDP-UHFFFAOYSA-N -1 0 364.467 3.236 50 0 FGAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(Br)cc2F)c1 ZINC000007405260 494020295 /nfs/dbraw/zinc/02/02/95/494020295.db2.gz DXCNKMNFWKBIHW-UHFFFAOYSA-N -1 0 374.187 3.087 50 0 FGAARM O=S(=O)([N-]c1cnc(N2CCCC2)nc1)c1ccc(Cl)c(Cl)c1 ZINC000077196693 494030394 /nfs/dbraw/zinc/03/03/94/494030394.db2.gz LBTWPEUSIAGWMI-UHFFFAOYSA-N -1 0 373.265 3.184 50 0 FGAARM CCc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2C(=O)[O-])cc1 ZINC000033007336 494035856 /nfs/dbraw/zinc/03/58/56/494035856.db2.gz WNODYPKMMOAILX-UHFFFAOYSA-N -1 0 374.462 3.348 50 0 FGAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CSCc1ccccc1 ZINC000007786625 494042981 /nfs/dbraw/zinc/04/29/81/494042981.db2.gz SFTHIDGRGZSREP-SFHVURJKSA-N -1 0 368.458 3.213 50 0 FGAARM CCOC(=O)c1c(CC)[nH]nc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000033256064 494055097 /nfs/dbraw/zinc/05/50/97/494055097.db2.gz VFZMAEJFRGXQFO-UHFFFAOYSA-N -1 0 365.455 3.073 50 0 FGAARM COc1ccc(-n2cnc3c2NC(=O)C[C@@H]3c2ccc(C(=O)[O-])cc2)cc1 ZINC000036353195 494090238 /nfs/dbraw/zinc/09/02/38/494090238.db2.gz GKNDPSGTZPPIQG-MRXNPFEDSA-N -1 0 363.373 3.053 50 0 FGAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(Br)cc2)C1 ZINC000008699243 494099540 /nfs/dbraw/zinc/09/95/40/494099540.db2.gz MXJJJGPIDKFWKX-OLZOCXBDSA-N -1 0 370.243 3.484 50 0 FGAARM O=C([O-])c1ccnc(-c2ccnc(NCc3c[nH]nc3-c3ccccc3)n2)c1 ZINC000077519098 494102954 /nfs/dbraw/zinc/10/29/54/494102954.db2.gz MJCOBCNVLBBDNG-UHFFFAOYSA-N -1 0 372.388 3.239 50 0 FGAARM CC(Nc1ccc(F)cc1)=C1C(=O)[N-]C(=O)N(c2ccc(Cl)cc2)C1=O ZINC000009109324 494115007 /nfs/dbraw/zinc/11/50/07/494115007.db2.gz PRSRNYHAGNSIMP-GDNBJRDFSA-N -1 0 373.771 3.448 50 0 FGAARM COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nccc(C)n1)C(=O)[O-] ZINC000009435021 494123746 /nfs/dbraw/zinc/12/37/46/494123746.db2.gz AIHUUIAJRNWVGQ-GOSISDBHSA-N -1 0 364.401 3.207 50 0 FGAARM O=C([O-])C1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 ZINC000009481160 494125274 /nfs/dbraw/zinc/12/52/74/494125274.db2.gz OBQIACRKIIWZCU-UHFFFAOYSA-N -1 0 350.374 3.432 50 0 FGAARM Cc1cccc(-c2nc(SCC(=O)Nc3cccc(C(=O)[O-])c3)n[nH]2)c1 ZINC000009582270 494127970 /nfs/dbraw/zinc/12/79/70/494127970.db2.gz KBNJEGDGXJOSPB-UHFFFAOYSA-N -1 0 368.418 3.209 50 0 FGAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cnc3ccccc3c2)c1 ZINC000072151040 494135555 /nfs/dbraw/zinc/13/55/55/494135555.db2.gz AZDKVBZGZPFQSX-UHFFFAOYSA-N -1 0 370.430 3.287 50 0 FGAARM CC[C@H](C(=O)N1CCC(Cc2cccc(C(=O)[O-])c2)CC1)n1cccn1 ZINC000072169892 494142959 /nfs/dbraw/zinc/14/29/59/494142959.db2.gz BASQVIJODBNCHU-GOSISDBHSA-N -1 0 355.438 3.014 50 0 FGAARM COc1cc(C)cc(OC)c1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)[O-] ZINC000072233823 494145520 /nfs/dbraw/zinc/14/55/20/494145520.db2.gz MRSQRCIKRVUXRM-BLLLJJGKSA-N -1 0 365.426 3.190 50 0 FGAARM Cc1cccc2nc(C(=O)N3CC[C@H](Cc4ccc(C(=O)[O-])cc4)C3)cn21 ZINC000072448537 494175924 /nfs/dbraw/zinc/17/59/24/494175924.db2.gz AWPNOGOESHEBCK-MRXNPFEDSA-N -1 0 363.417 3.046 50 0 FGAARM O=S(=O)([N-]c1cccn2nc(C3CCC3)nc12)c1cccc(Cl)c1 ZINC000065284031 494186287 /nfs/dbraw/zinc/18/62/87/494186287.db2.gz XJJWPRGIHSNQLK-UHFFFAOYSA-N -1 0 362.842 3.451 50 0 FGAARM CCOc1cc2c(cc1[N-]S(=O)(=O)c1ccc(F)cc1)O[C@H](C)C2 ZINC000012560502 494242280 /nfs/dbraw/zinc/24/22/80/494242280.db2.gz WFZMTIUFUUQBQU-LLVKDONJSA-N -1 0 351.399 3.349 50 0 FGAARM Cn1cc(S(=O)(=O)[N-]c2ccccc2Cc2ccccc2)nc1Cl ZINC000079106656 494405056 /nfs/dbraw/zinc/40/50/56/494405056.db2.gz AXJZMFUJKPKEAF-UHFFFAOYSA-N -1 0 361.854 3.465 50 0 FGAARM CCN1c2ccc([N-]S(=O)(=O)c3cc(C)ccc3OC)cc2CCC1=O ZINC000017289160 494410443 /nfs/dbraw/zinc/41/04/43/494410443.db2.gz NIIQMYLTISUNKT-UHFFFAOYSA-N -1 0 374.462 3.104 50 0 FGAARM CC[C@H](C)[C@H](NC(=O)Cc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000020426858 494471872 /nfs/dbraw/zinc/47/18/72/494471872.db2.gz LIZZHZIDVLGORR-BONVTDFDSA-N -1 0 350.415 3.107 50 0 FGAARM O=C([O-])[C@@H](c1c[nH]c2ccc(Cl)cc21)N1CCN(c2ccccn2)CC1 ZINC000020746163 494480075 /nfs/dbraw/zinc/48/00/75/494480075.db2.gz HOAQNYIKDWDJBL-GOSISDBHSA-N -1 0 370.840 3.164 50 0 FGAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccc(C)c2C)c1C ZINC000075347999 494737075 /nfs/dbraw/zinc/73/70/75/494737075.db2.gz QTLNAURJYBPRBL-UHFFFAOYSA-N -1 0 350.440 3.226 50 0 FGAARM CCCCC[C@H](O)/C=C/[C@H]1C(=O)C[C@H](O)[C@H]1CCCCCCC(=O)[O-] ZINC000027639233 494879072 /nfs/dbraw/zinc/87/90/72/494879072.db2.gz CIMMACURCPXICP-DURYPTPESA-N -1 0 354.487 3.475 50 0 FGAARM O=C([O-])C[C@@H]1c2ccccc2CCN1C(=O)c1cccc(-n2cccn2)c1 ZINC000095359009 494963703 /nfs/dbraw/zinc/96/37/03/494963703.db2.gz SMYQVXXJYBLANV-LJQANCHMSA-N -1 0 361.401 3.087 50 0 FGAARM CC(C)n1ncc2c1NC(=O)CS[C@@H]2c1ccccc1OCC(=O)[O-] ZINC000095474035 494978574 /nfs/dbraw/zinc/97/85/74/494978574.db2.gz YBMVQBAACWCLCD-MRXNPFEDSA-N -1 0 361.423 3.352 50 0 FGAARM CC(C)c1nc(CN(C)[C@H](C(=O)[O-])c2ccc(F)c(CO)c2)cs1 ZINC000095497267 494980107 /nfs/dbraw/zinc/98/01/07/494980107.db2.gz HMWWBBYXEAIDBE-HNNXBMFYSA-N -1 0 352.431 3.156 50 0 FGAARM O=C([O-])[C@H](CCC(=O)OC1CCCCC1)NC(=O)OCc1ccccc1 ZINC000095495853 494980291 /nfs/dbraw/zinc/98/02/91/494980291.db2.gz ZSBFBHHGGYFEAH-INIZCTEOSA-N -1 0 363.410 3.022 50 0 FGAARM CCCn1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2C(F)(F)F)c(C)n1 ZINC000095515150 494984393 /nfs/dbraw/zinc/98/43/93/494984393.db2.gz IRENFGYVSJSXHT-AWEZNQCLSA-N -1 0 369.343 3.176 50 0 FGAARM CCc1nc2sc(C(=O)N(C[C@@H](C)C(=O)[O-])C3CC3)c(C)c2c(C)n1 ZINC000095991911 494993903 /nfs/dbraw/zinc/99/39/03/494993903.db2.gz HRLYCBMKQYTYRY-SECBINFHSA-N -1 0 361.467 3.196 50 0 FGAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)n1 ZINC000123026819 495069166 /nfs/dbraw/zinc/06/91/66/495069166.db2.gz GPBMJJLEPLAVIV-VHSXEESVSA-N -1 0 354.193 3.017 50 0 FGAARM O=C([N-]O[C@@H]1CCCCO1)C(=O)Nc1ccc2c(c1)oc1ccccc12 ZINC000134790438 495201919 /nfs/dbraw/zinc/20/19/19/495201919.db2.gz PDVBIMVKZHLQFS-QGZVFWFLSA-N -1 0 354.362 3.099 50 0 FGAARM CCCc1ccc(S(=O)(=O)[N-]c2scnc2C(=O)OCC)cc1 ZINC000170617364 495535833 /nfs/dbraw/zinc/53/58/33/495535833.db2.gz RSJJHIMDYCEJNO-UHFFFAOYSA-N -1 0 354.453 3.073 50 0 FGAARM Cc1ccc(O[C@@H](C)C(=O)N[C@H](CC(C)C)C(=O)[O-])c(Br)c1 ZINC000170676043 495558320 /nfs/dbraw/zinc/55/83/20/495558320.db2.gz WVTWOFUVHFIPDZ-WCQYABFASA-N -1 0 372.259 3.140 50 0 FGAARM CO[C@@]1(C)C[C@@H](N(C)C(=O)c2cnc3c(C)cc(F)cc3c2O)C1(C)C ZINC000158671781 495563627 /nfs/dbraw/zinc/56/36/27/495563627.db2.gz GFHIBNTVHXUTJH-QRWLVFNGSA-N -1 0 360.429 3.251 50 0 FGAARM Cc1ccc(C2(C(=O)Nc3cccc(CC(=O)[O-])c3)CCOCC2)cc1 ZINC000154934451 495776660 /nfs/dbraw/zinc/77/66/60/495776660.db2.gz BNFRQYNTUZBHHS-UHFFFAOYSA-N -1 0 353.418 3.309 50 0 FGAARM CCOc1cc(C(=O)N(C)[C@H]2CCc3ccccc32)ccc1OCC(=O)[O-] ZINC000268898445 496818637 /nfs/dbraw/zinc/81/86/37/496818637.db2.gz LAJAWIIAQKMHEK-KRWDZBQOSA-N -1 0 369.417 3.308 50 0 FGAARM CO[C@H]1C[C@@H](C(=O)[O-])N(C(=O)Nc2cccc(Oc3ccccc3)c2)C1 ZINC000225518960 497066626 /nfs/dbraw/zinc/06/66/26/497066626.db2.gz GOESKKWJKIVPTO-IRXDYDNUSA-N -1 0 356.378 3.185 50 0 FGAARM CC(C)Oc1nn(C)c2ccc([N-]S(=O)(=O)c3cccs3)cc12 ZINC000227166846 497087631 /nfs/dbraw/zinc/08/76/31/497087631.db2.gz WAJIJLVILAQPRY-UHFFFAOYSA-N -1 0 351.453 3.223 50 0 FGAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1C(=O)[O-] ZINC000237320303 497218882 /nfs/dbraw/zinc/21/88/82/497218882.db2.gz DBCIFMLJZKGSNE-QWHCGFSZSA-N -1 0 361.344 3.092 50 0 FGAARM O=C([O-])CC[C@@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000237950233 497319252 /nfs/dbraw/zinc/31/92/52/497319252.db2.gz GIUDBMHBEVXQQX-LBPRGKRZSA-N -1 0 359.344 3.188 50 0 FGAARM Cc1cc(Cl)c(C(=O)N[C@@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1C ZINC000263120029 497709451 /nfs/dbraw/zinc/70/94/51/497709451.db2.gz SDSXKZQBHRXYHO-QGZVFWFLSA-N -1 0 359.809 3.447 50 0 FGAARM CC(C)(C)OC(=O)Nc1cc(C(=O)[O-])ccc1I ZINC000306632616 498743179 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FGAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)cc1C(=O)[O-] ZINC000237324648 524064764 /nfs/dbraw/zinc/06/47/64/524064764.db2.gz IUEJXICDLLWSCQ-KBPBESRZSA-N -1 0 361.344 3.092 50 0 FGAARM CCOc1ccc(-c2cc3c(N4CCC(C(=O)[O-])CC4)nccn3n2)cc1 ZINC000021729866 535692861 /nfs/dbraw/zinc/69/28/61/535692861.db2.gz KADCXHWMXRKJPZ-UHFFFAOYSA-N -1 0 366.421 3.096 50 0 FGAARM Cn1c(=O)c(-c2nc(-c3cccc(F)c3)no2)c([O-])c2cc(F)ccc21 ZINC000101725141 570822444 /nfs/dbraw/zinc/82/24/44/570822444.db2.gz WFBQNFSWEWMZON-UHFFFAOYSA-N -1 0 355.300 3.239 50 0 FGAARM CCN1c2ccc(S(=O)(=O)[N-]c3ncccc3C)c3cccc(c23)C1=O ZINC000001017747 571132111 /nfs/dbraw/zinc/13/21/11/571132111.db2.gz FPJDMUSGMVHUOA-UHFFFAOYSA-N -1 0 367.430 3.324 50 0 FGAARM O=C([O-])[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)[C@@H]1CCCO1 ZINC000231339067 571147015 /nfs/dbraw/zinc/14/70/15/571147015.db2.gz NWZCCBGVDITGSW-RBUKOAKNSA-N -1 0 367.401 3.157 50 0 FGAARM CC(C)(C)n1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)c(F)c2)cn1 ZINC000170066787 571261632 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COc1cc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=NCCS2)ccc1O ZINC000000754243 219317919 /nfs/dbraw/zinc/31/79/19/219317919.db2.gz GEWSBTVKGXQTRM-INIZCTEOSA-N -1 0 361.419 3.035 50 0 FGAARM CCCc1ccc(Oc2ccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])cn2)c(OC)c1 ZINC000001046998 219357426 /nfs/dbraw/zinc/35/74/26/219357426.db2.gz IRIAMDOKUIEGPS-LSDHHAIUSA-N -1 0 370.405 3.494 50 0 FGAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 ZINC000001088612 219367247 /nfs/dbraw/zinc/36/72/47/219367247.db2.gz MNHKKOZYBOYQCX-UHFFFAOYSA-N -1 0 374.462 3.061 50 0 FGAARM O=C(NCc1ccco1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000001111803 219371191 /nfs/dbraw/zinc/37/11/91/219371191.db2.gz PWIJJMFBCKIGCV-UHFFFAOYSA-N -1 0 374.393 3.150 50 0 FGAARM CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000001170817 219384754 /nfs/dbraw/zinc/38/47/54/219384754.db2.gz SWCLRBOYMNNTHU-UHFFFAOYSA-N -1 0 370.405 3.387 50 0 FGAARM O=C([O-])C[C@H](NC(=O)c1cccc2c[nH]nc21)c1ccc(Cl)c(F)c1 ZINC000225551613 222849250 /nfs/dbraw/zinc/84/92/50/222849250.db2.gz AYAZMWFCFSSBEY-AWEZNQCLSA-N -1 0 361.760 3.301 50 0 FGAARM O=C([O-])[C@H](CCCCO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002540546 219448970 /nfs/dbraw/zinc/44/89/70/219448970.db2.gz RLKMUBZYLZBKMO-IBGZPJMESA-N -1 0 369.417 3.141 50 0 FGAARM O=c1c([C@@H](O)c2ccc(O)cc2)c(C(F)(F)F)[n-]n1-c1ccccc1 ZINC000003849055 219528081 /nfs/dbraw/zinc/52/80/81/219528081.db2.gz UNZQVXZVSXDPPT-KGLIPLIRSA-N -1 0 350.296 3.007 50 0 FGAARM Cc1c(Cl)cccc1N1C(=O)C[C@@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000006831754 219776815 /nfs/dbraw/zinc/77/68/15/219776815.db2.gz GHEKOQJULOZZIC-CQSZACIVSA-N -1 0 358.781 3.091 50 0 FGAARM O=C([O-])CSC(F)(F)c1nnc2c(Cl)cc(C(F)(F)F)cn21 ZINC000261494796 223075359 /nfs/dbraw/zinc/07/53/59/223075359.db2.gz HIIVHOHXGXXUFY-UHFFFAOYSA-N -1 0 361.679 3.269 50 0 FGAARM COc1ccc(CNC(=O)[C@@H]2CCCO[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000299739769 223079391 /nfs/dbraw/zinc/07/93/91/223079391.db2.gz AUGJIELCUMUPNX-APWZRJJASA-N -1 0 369.417 3.178 50 0 FGAARM COc1ccc([C@@H]2CCCN2C(=O)c2ccc(C(=O)[O-])s2)cc1OC ZINC000298085137 223078421 /nfs/dbraw/zinc/07/84/21/223078421.db2.gz YAQUWGIIUKJYRN-LBPRGKRZSA-N -1 0 361.419 3.441 50 0 FGAARM CC(C)n1ncc2cc(C(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)cnc21 ZINC000012940799 220045458 /nfs/dbraw/zinc/04/54/58/220045458.db2.gz IMQDLRDDEGMSFM-VMPITWQZSA-N -1 0 350.378 3.362 50 0 FGAARM COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000012992845 220049957 /nfs/dbraw/zinc/04/99/57/220049957.db2.gz HLISBHQQCJRIKL-FMIVXFBMSA-N -1 0 363.373 3.231 50 0 FGAARM Cc1nnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1-c1ccccc1 ZINC000013354494 220064989 /nfs/dbraw/zinc/06/49/89/220064989.db2.gz PCVNEKKUGKTXAS-UHFFFAOYSA-N -1 0 368.418 3.005 50 0 FGAARM O=C(Nc1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1)C1CC1 ZINC000015862076 220168875 /nfs/dbraw/zinc/16/88/75/220168875.db2.gz LRCMVVNUVYYEGT-UHFFFAOYSA-N -1 0 373.459 3.446 50 0 FGAARM O=c1[n-]c(Nc2ccc3c(c2)OCO3)nnc1Cc1ccc(Cl)cc1 ZINC000016777476 220193822 /nfs/dbraw/zinc/19/38/22/220193822.db2.gz IFCOOMKCXPOHJN-UHFFFAOYSA-N -1 0 356.769 3.294 50 0 FGAARM CCOC(=O)c1ccsc1NC(=O)[C@@H]1CC(C)=C(C)C[C@@H]1C(=O)[O-] ZINC000017072888 220202918 /nfs/dbraw/zinc/20/29/18/220202918.db2.gz NZYAJRDVCUSWES-OLZOCXBDSA-N -1 0 351.424 3.311 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000020730821 220339281 /nfs/dbraw/zinc/33/92/81/220339281.db2.gz YTKSGDMOXLJQML-LBPRGKRZSA-N -1 0 364.854 3.329 50 0 FGAARM CC(C)OCc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000021066150 220350210 /nfs/dbraw/zinc/35/02/10/220350210.db2.gz BPADJCXDEUSERW-UHFFFAOYSA-N -1 0 371.462 3.182 50 0 FGAARM O=C(Nc1ccccn1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000022466493 220387421 /nfs/dbraw/zinc/38/74/21/220387421.db2.gz OOPIAWGFSNAQCI-UHFFFAOYSA-N -1 0 353.403 3.135 50 0 FGAARM CCN(Cc1ccccc1[N-]S(=O)(=O)c1cc(C)ccc1F)C(C)=O ZINC000055587849 221072883 /nfs/dbraw/zinc/07/28/83/221072883.db2.gz YXFZCXLPYIIOKA-UHFFFAOYSA-N -1 0 364.442 3.303 50 0 FGAARM O=C(/N=c1\[n-]nc2cccc(Cl)n21)Nc1cccc(C(F)(F)F)c1 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356.422 3.095 50 0 FGAARM C[C@@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)c2ccccc21 ZINC000071818154 221379892 /nfs/dbraw/zinc/37/98/92/221379892.db2.gz IYLGBHZFFFRRPM-SNVBAGLBSA-N -1 0 351.811 3.351 50 0 FGAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)CCc2ccsc2)CC1 ZINC000072419702 221508286 /nfs/dbraw/zinc/50/82/86/221508286.db2.gz HAJRZCQEPZLLJW-UHFFFAOYSA-N -1 0 359.447 3.206 50 0 FGAARM Cc1ccc(N2C[C@@H](C)N(C(=O)c3ccc([O-])c(Cl)c3)CC2=O)cc1 ZINC000082099591 132194823 /nfs/dbraw/zinc/19/48/23/132194823.db2.gz PNGWUIWPZWTNHO-CYBMUJFWSA-N -1 0 358.825 3.232 50 0 FGAARM CCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CCC(=O)N3C)s1 ZINC000009828256 132381544 /nfs/dbraw/zinc/38/15/44/132381544.db2.gz OAQKTTDKYGBYAA-UHFFFAOYSA-N -1 0 350.465 3.020 50 0 FGAARM O=C(/C=C\c1ccc(Cl)cc1)[N-]S(=O)(=O)Cc1ccc(Cl)nc1 ZINC000096032846 221992698 /nfs/dbraw/zinc/99/26/98/221992698.db2.gz MZXFBXHGNFOIAH-YWEYNIOJSA-N -1 0 371.245 3.048 50 0 FGAARM Cc1cc(C)cc(NC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccccc2)c1 ZINC000096361040 222117731 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/nfs/dbraw/zinc/30/22/30/494302230.db2.gz MNZMVQZOFHCUSL-IBGZPJMESA-N -1 0 352.434 3.155 50 0 FGAARM Cc1cccc(N2C(=O)C[C@@H](Sc3ccccc3C(=O)[O-])C2=O)c1C ZINC000019770542 494459993 /nfs/dbraw/zinc/45/99/93/494459993.db2.gz IJXFTOKUAAIAOW-MRXNPFEDSA-N -1 0 355.415 3.426 50 0 FGAARM Cc1ccc(-n2ncc3c2CC(C)(C)C[C@H]3NC(=O)c2cc(=O)[nH][n-]2)cc1 ZINC000091351103 494588151 /nfs/dbraw/zinc/58/81/51/494588151.db2.gz CVGALZFRQJZASY-MRXNPFEDSA-N -1 0 365.437 3.053 50 0 FGAARM Cc1cc(NC[C@H]2CC(=O)N(C3CCCC3)C2)nc(-c2ccccc2[O-])n1 ZINC000091873320 494712151 /nfs/dbraw/zinc/71/21/51/494712151.db2.gz NXVYZOQTNJDGKO-OAHLLOKOSA-N -1 0 366.465 3.361 50 0 FGAARM Cc1nc2ccc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3Cl)cc2nc1C ZINC000095364144 494964427 /nfs/dbraw/zinc/96/44/27/494964427.db2.gz KTPKBHBWWJZFBF-QGZVFWFLSA-N -1 0 369.808 3.456 50 0 FGAARM CC[C@@H](C(=O)[O-])n1cc(-c2ccc(-c3nc4ccccc4n3C)o2)nn1 ZINC000095383116 494971209 /nfs/dbraw/zinc/97/12/09/494971209.db2.gz ZRTIYLFCUOWKLR-ZDUSSCGKSA-N -1 0 351.366 3.128 50 0 FGAARM O=C([O-])C[C@H](NC(=O)Cn1ccnc1-c1ccccc1)c1ccc(F)cc1 ZINC000095521205 494986195 /nfs/dbraw/zinc/98/61/95/494986195.db2.gz JOIJDKJOMYADBB-KRWDZBQOSA-N -1 0 367.380 3.021 50 0 FGAARM O=S(=O)([N-]c1csc(-c2ccccn2)n1)c1cc(F)cc(F)c1 ZINC000095997430 494993654 /nfs/dbraw/zinc/99/36/54/494993654.db2.gz DHNOYSGIOJBXKO-UHFFFAOYSA-N -1 0 353.375 3.284 50 0 FGAARM O=C([O-])COc1cccc(C(=O)/C=C\c2cc(Cl)c3c(c2)OCCO3)c1 ZINC000096297689 495009996 /nfs/dbraw/zinc/00/99/96/495009996.db2.gz MOHYQFUZABJMOZ-PLNGDYQASA-N -1 0 374.776 3.471 50 0 FGAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC[C@H]2c2ccco2)cs1 ZINC000185152008 496682055 /nfs/dbraw/zinc/68/20/55/496682055.db2.gz MLWVUNCLTKYTIA-LBPRGKRZSA-N -1 0 355.437 3.345 50 0 FGAARM Cc1oc(CN(C)C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)cc1C(=O)[O-] ZINC000268948191 496832225 /nfs/dbraw/zinc/83/22/25/496832225.db2.gz XKBGFJJACOVOAO-FUHWJXTLSA-N -1 0 357.406 3.413 50 0 FGAARM CC(C)n1cc(Br)cc1C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000236686828 497131526 /nfs/dbraw/zinc/13/15/26/497131526.db2.gz XIHLFDJZWBSXSO-JTQLQIEISA-N -1 0 357.248 3.157 50 0 FGAARM COc1ccc(C(=O)N(CCC(=O)[O-])Cc2cccc(F)c2F)c(F)c1 ZINC000237346505 497223079 /nfs/dbraw/zinc/22/30/79/497223079.db2.gz UPBNOWTWGNBIAT-UHFFFAOYSA-N -1 0 367.323 3.230 50 0 FGAARM Cn1c(C(=O)N2CCC(C(=O)[O-])CC2)cc2cc(C(F)(F)F)ccc21 ZINC000237710519 497279601 /nfs/dbraw/zinc/27/96/01/497279601.db2.gz YFWUBJQOXBURIF-UHFFFAOYSA-N -1 0 354.328 3.134 50 0 FGAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)Cc2noc3ccccc32)CC1 ZINC000238062443 497335604 /nfs/dbraw/zinc/33/56/04/497335604.db2.gz YBHMWOAITDCSHH-UHFFFAOYSA-N -1 0 364.401 3.015 50 0 FGAARM O=C([O-])[C@@H](NC(=O)c1ccc(Oc2ccccc2)cc1)[C@@H]1CCCOC1 ZINC000262782748 497620874 /nfs/dbraw/zinc/62/08/74/497620874.db2.gz MIESHMUBTCWIBZ-QAPCUYQASA-N -1 0 355.390 3.089 50 0 FGAARM CCc1nc2c(s1)[C@@H](N(C)C(=O)c1cccc(OCC(=O)[O-])c1)CCC2 ZINC000262898469 497650213 /nfs/dbraw/zinc/65/02/13/497650213.db2.gz ZQRNDCFUWJVVEG-HNNXBMFYSA-N -1 0 374.462 3.319 50 0 FGAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC1(CC(=O)[O-])CCCC1 ZINC000262902910 497650767 /nfs/dbraw/zinc/65/07/67/497650767.db2.gz MLPVVGAZCPJQQD-UHFFFAOYSA-N -1 0 361.829 3.351 50 0 FGAARM Cc1noc(C)c1C(=O)N[C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263013780 497681193 /nfs/dbraw/zinc/68/11/93/497681193.db2.gz NGLBTHHMDADHEZ-OAHLLOKOSA-N -1 0 357.193 3.328 50 0 FGAARM Cc1c(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)sc2cccc(F)c12 ZINC000328780269 498936631 /nfs/dbraw/zinc/93/66/31/498936631.db2.gz MIMDYIXJLYLSAX-SNVBAGLBSA-N -1 0 360.414 3.192 50 0 FGAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(cccc3OC(F)(F)F)[nH]2)C1 ZINC000408513485 499591651 /nfs/dbraw/zinc/59/16/51/499591651.db2.gz DBFLKRIUSCHFTO-HNNXBMFYSA-N -1 0 356.300 3.003 50 0 FGAARM CCOc1cc(C(=O)N2C[C@@H](C)c3ccccc32)ccc1OCC(=O)[O-] ZINC000408513219 499591660 /nfs/dbraw/zinc/59/16/60/499591660.db2.gz SXHOFNATKOFQCO-CYBMUJFWSA-N -1 0 355.390 3.313 50 0 FGAARM O=C([O-])c1ccnc(-c2ccc(C(=O)N[C@H](CO)C3CCCCC3)cc2)c1 ZINC000426551930 500288337 /nfs/dbraw/zinc/28/83/37/500288337.db2.gz DGIYUDQASACATK-LJQANCHMSA-N -1 0 368.433 3.118 50 0 FGAARM O=C([O-])CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(Cl)ccc1Cl ZINC000517412065 503738969 /nfs/dbraw/zinc/73/89/69/503738969.db2.gz YPSCBTJTPBBSTO-CYBMUJFWSA-N -1 0 373.236 3.178 50 0 FGAARM CCCn1nc(NC(=O)CCCC(=O)[O-])c2cc3cccc(C)c3nc21 ZINC000009013074 506677321 /nfs/dbraw/zinc/67/73/21/506677321.db2.gz CMLOJWHOOGAUOU-UHFFFAOYSA-N -1 0 354.410 3.496 50 0 FGAARM O=C([O-])Cc1c(Br)cc(OC(F)F)cc1Br ZINC000263624505 534505358 /nfs/dbraw/zinc/50/53/58/534505358.db2.gz RDOJJKDTXYSFNB-UHFFFAOYSA-N -1 0 359.948 3.440 50 0 FGAARM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n[nH]1 ZINC000079106558 520675458 /nfs/dbraw/zinc/67/54/58/520675458.db2.gz KJJBXODBZCHPMV-GFCCVEGCSA-N -1 0 365.455 3.275 50 0 FGAARM COc1cc(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)ccc1C(=O)[O-] ZINC000237319578 522432196 /nfs/dbraw/zinc/43/21/96/522432196.db2.gz ZHLNYNXUEORMKT-ZFWWWQNUSA-N -1 0 361.344 3.092 50 0 FGAARM COc1ccc(CNC(=O)[C@H]2CCCO[C@H]2c2ccccc2)cc1C(=O)[O-] ZINC000299739770 524064576 /nfs/dbraw/zinc/06/45/76/524064576.db2.gz AUGJIELCUMUPNX-LPHOPBHVSA-N -1 0 369.417 3.178 50 0 FGAARM O=C([O-])[C@@H]1CN(C(=O)CCC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000091468464 526284207 /nfs/dbraw/zinc/28/42/07/526284207.db2.gz PATSGVUZVDCFQO-ZWKOTPCHSA-N -1 0 369.392 3.115 50 0 FGAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)C1 ZINC000262057199 526322706 /nfs/dbraw/zinc/32/27/06/526322706.db2.gz XVLVUMUYAVPLLA-ZDUSSCGKSA-N -1 0 373.430 3.123 50 0 FGAARM O=C([O-])C[C@@H]1CN(S(=O)(=O)c2cccc(Cl)c2)c2ccccc21 ZINC000169990582 571260366 /nfs/dbraw/zinc/26/03/66/571260366.db2.gz XKFKKHRAGBPIRQ-LLVKDONJSA-N -1 0 351.811 3.107 50 0 FGAARM