smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc2oc(C(=O)N3CCO[C@](C)(C(=O)[O-])C3)cc2c1 ZINC000585138074 790331531 /nfs/dbraw/zinc/33/15/31/790331531.db2.gz MODRSVYFNCCXAN-INIZCTEOSA-N -1 0 303.314 2.057 50 0 DEAARM C[C@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC000585137860 790331657 /nfs/dbraw/zinc/33/16/57/790331657.db2.gz WOPBLEAIKRQCQN-WCQYABFASA-N -1 0 315.377 2.161 50 0 DEAARM CCCC(=O)[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000585086543 789685811 /nfs/dbraw/zinc/68/58/11/789685811.db2.gz KZQIKULBLSMENN-UHFFFAOYSA-N -1 0 302.739 2.086 50 0 DEAARM Nc1c(C(=O)[O-])ccnc1-c1cccc(CO[C@H]2CCOC2)c1 ZINC000585091979 789692690 /nfs/dbraw/zinc/69/26/90/789692690.db2.gz XACXXYGBPNJLDG-ZDUSSCGKSA-N -1 0 314.341 2.335 50 0 DEAARM CCN(Cc1nc(C(C)C)no1)c1nc(C)cc(C(=O)[O-])n1 ZINC001529168772 1070896996 /nfs/dbraw/zinc/89/69/96/1070896996.db2.gz KYBXGQJENBQPLE-UHFFFAOYSA-N -1 0 305.338 2.016 50 0 DEAARM C[C@H](c1ccncc1)N(C)C(=O)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC001506401932 1061945013 /nfs/dbraw/zinc/94/50/13/1061945013.db2.gz KUZKSIMOSLUWRW-CYBMUJFWSA-N -1 0 322.368 2.394 50 0 DEAARM O=C([O-])C1(c2ccc(I)cn2)CCC1 ZINC000095803040 185384094 /nfs/dbraw/zinc/38/40/94/185384094.db2.gz VOLCXOWPTGJRKH-UHFFFAOYSA-N -1 0 303.099 2.193 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1F ZINC000078902622 185126015 /nfs/dbraw/zinc/12/60/15/185126015.db2.gz ZIFVEEUHFJXFSY-UHFFFAOYSA-N -1 0 321.329 2.275 50 0 DEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2cccc(O)c2)C1 ZINC000079036823 185148102 /nfs/dbraw/zinc/14/81/02/185148102.db2.gz DPOXPYJPMOPXDB-OLZOCXBDSA-N -1 0 307.346 2.427 50 0 DEAARM CC(C)(C)n1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)cn1 ZINC000096999791 185395910 /nfs/dbraw/zinc/39/59/10/185395910.db2.gz DTERXJYCEVTMCM-UHFFFAOYSA-N -1 0 315.373 2.365 50 0 DEAARM COc1ccc(CC(=O)NC[C@H](C(=O)[O-])c2ccccc2)cc1 ZINC000095408269 185356452 /nfs/dbraw/zinc/35/64/52/185356452.db2.gz YPNIJKULVSNCFS-INIZCTEOSA-N -1 0 313.353 2.222 50 0 DEAARM C[C@](COc1ccccc1)(NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000095424642 185361478 /nfs/dbraw/zinc/36/14/78/185361478.db2.gz UVCRAOALDQNVGE-QGZVFWFLSA-N -1 0 317.316 2.478 50 0 DEAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1ccc[nH]1 ZINC000097018126 185397701 /nfs/dbraw/zinc/39/77/01/185397701.db2.gz DINVSFKRTKTWHE-UHFFFAOYSA-N -1 0 308.284 2.410 50 0 DEAARM CCCN(CC(=O)[O-])S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000231806736 201892029 /nfs/dbraw/zinc/89/20/29/201892029.db2.gz BVCFXRNDFBAPTO-UHFFFAOYSA-N -1 0 311.812 2.195 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000238015984 539752857 /nfs/dbraw/zinc/75/28/57/539752857.db2.gz UHEZXTQWYCAJCE-IAQYHMDHSA-N -1 0 321.348 2.233 50 0 DEAARM Cc1nsc2ncc(C(=O)NC(C)(C)CCC(=O)[O-])cc12 ZINC000139695919 186022967 /nfs/dbraw/zinc/02/29/67/186022967.db2.gz PTATYYAWJXQBDJ-UHFFFAOYSA-N -1 0 307.375 2.373 50 0 DEAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)Cc1cccc2cccnc21 ZINC000263390286 539789385 /nfs/dbraw/zinc/78/93/85/539789385.db2.gz YOEHFLBEHFKCPY-IUODEOHRSA-N -1 0 312.369 2.489 50 0 DEAARM Cc1nc(C)c(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nc1C ZINC000263459604 539789520 /nfs/dbraw/zinc/78/95/20/539789520.db2.gz VJWOAWBPKQTGPY-ZDUSSCGKSA-N -1 0 305.378 2.119 50 0 DEAARM COCc1cccc(CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000263515698 539789922 /nfs/dbraw/zinc/78/99/22/539789922.db2.gz DPCGMAAJVDJOLU-UXLLHSPISA-N -1 0 317.385 2.087 50 0 DEAARM C[C@@H](C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccccc1F ZINC000237447919 186290616 /nfs/dbraw/zinc/29/06/16/186290616.db2.gz SRTUVYZMZSDNKR-LLVKDONJSA-N -1 0 309.337 2.021 50 0 DEAARM Cc1cc(C(=O)N(C[C@H](C)C(=O)[O-])C2CC2)nn1C(C)(C)C ZINC000237462458 186293524 /nfs/dbraw/zinc/29/35/24/186293524.db2.gz PHQQSLQUXBKSFM-JTQLQIEISA-N -1 0 307.394 2.272 50 0 DEAARM Cc1nc(C2CC2)oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262840551 186311318 /nfs/dbraw/zinc/31/13/18/186311318.db2.gz CYTBVAJVSCXEKL-SRVKXCTJSA-N -1 0 304.346 2.186 50 0 DEAARM CC[C@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-] ZINC000002943512 180971266 /nfs/dbraw/zinc/97/12/66/180971266.db2.gz NCZOQPHQZJOIEL-NSHDSACASA-N -1 0 316.313 2.125 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)[O-] ZINC000004000333 181060601 /nfs/dbraw/zinc/06/06/01/181060601.db2.gz SNVWKLNNEVZRDS-BMIGLBTASA-N -1 0 318.373 2.416 50 0 biogenic DEAARM CCc1cccc(C)c1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004162866 181080283 /nfs/dbraw/zinc/08/02/83/181080283.db2.gz ZIVSMMZWULXRQI-RQJABVFESA-N -1 0 301.342 2.150 50 0 DEAARM CCCOc1ccc(CCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000236795262 202013253 /nfs/dbraw/zinc/01/32/53/202013253.db2.gz RDBFJJMDKKEABT-AWEZNQCLSA-N -1 0 305.374 2.341 50 0 DEAARM C[C@@H](CC(=O)[O-])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004677874 181135145 /nfs/dbraw/zinc/13/51/45/181135145.db2.gz VIEJXMOERKEPJI-GFCCVEGCSA-N -1 0 324.808 2.490 50 0 DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2)cc1 ZINC000004746107 181146967 /nfs/dbraw/zinc/14/69/67/181146967.db2.gz IKRNEOSZRFEACP-UHFFFAOYSA-N -1 0 305.355 2.275 50 0 DEAARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])C2=CCC=CC2)cc1 ZINC000004746092 181147032 /nfs/dbraw/zinc/14/70/32/181147032.db2.gz QUNCCXMSWGCQCH-CQSZACIVSA-N -1 0 307.371 2.003 50 0 DEAARM CN1CCN(C(=O)c2cc(Cl)c(Cl)cc2C(=O)[O-])CC1 ZINC000004802526 181153017 /nfs/dbraw/zinc/15/30/17/181153017.db2.gz NMRYWGXBXKUZOC-UHFFFAOYSA-N -1 0 317.172 2.079 50 0 DEAARM Cc1n[n-]c(SCC(=O)N(c2ccccc2)C(C)C)nc1=O ZINC000005154732 181211321 /nfs/dbraw/zinc/21/13/21/181211321.db2.gz MCQHJYHPQYVMHY-UHFFFAOYSA-N -1 0 318.402 2.007 50 0 DEAARM COc1cc(-c2nc(CC(=O)[O-])cs2)cc(OC)c1OC ZINC000005592346 181261318 /nfs/dbraw/zinc/26/13/18/181261318.db2.gz AWBVQATVMBXAEM-UHFFFAOYSA-N -1 0 309.343 2.463 50 0 biogenic DEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000238174691 304056617 /nfs/dbraw/zinc/05/66/17/304056617.db2.gz UIJFUXFKZXTTHK-NXEZZACHSA-N -1 0 301.264 2.400 50 0 DEAARM CCO[C@H]1CCCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000236965356 202097602 /nfs/dbraw/zinc/09/76/02/202097602.db2.gz RYVRHVBRZHOISP-VSGCLNPGSA-N -1 0 303.358 2.426 50 0 DEAARM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237258290 202208120 /nfs/dbraw/zinc/20/81/20/202208120.db2.gz FGKHYSLZDIOUBP-KBPBESRZSA-N -1 0 317.385 2.438 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000178271027 198840555 /nfs/dbraw/zinc/84/05/55/198840555.db2.gz DWYGZKXIDRUUEP-JTQLQIEISA-N -1 0 319.748 2.277 50 0 DEAARM COc1cccc2c(C)c(C(=O)N3CC[C@@H](C(=O)[O-])C3)oc21 ZINC000237347605 202240085 /nfs/dbraw/zinc/24/00/85/202240085.db2.gz RUQUDWPFRKUFBE-SNVBAGLBSA-N -1 0 303.314 2.297 50 0 DEAARM C[C@H](NC(=O)CN1CCC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000237626804 202309378 /nfs/dbraw/zinc/30/93/78/202309378.db2.gz ODFFOKWWENGGHO-GWCFXTLKSA-N -1 0 310.781 2.066 50 0 DEAARM Cc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c(C)s1 ZINC000237673371 202324863 /nfs/dbraw/zinc/32/48/63/202324863.db2.gz MEWDQPCZHKIYLN-GFCCVEGCSA-N -1 0 311.403 2.461 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000237775894 202353005 /nfs/dbraw/zinc/35/30/05/202353005.db2.gz JRWBWQVSFBUTOE-INIZCTEOSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)C[C@@H](O)c2cccc(F)c2)C1 ZINC000238105426 202441044 /nfs/dbraw/zinc/44/10/44/202441044.db2.gz NKLQGABLCODSNX-IUODEOHRSA-N -1 0 323.364 2.353 50 0 DEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cccc2cc[nH]c21 ZINC000238107943 202441566 /nfs/dbraw/zinc/44/15/66/202441566.db2.gz FHKDAQHVUMPYJH-CYBMUJFWSA-N -1 0 316.357 2.264 50 0 DEAARM C[C@@H]1C[C@@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CCO1 ZINC000669434129 540832723 /nfs/dbraw/zinc/83/27/23/540832723.db2.gz KDPXDXYENYLSCT-DYEKYZERSA-N -1 0 303.358 2.407 50 0 DEAARM CCO[C@@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000606441155 361008374 /nfs/dbraw/zinc/00/83/74/361008374.db2.gz RYVRHVBRZHOISP-YYRKOSNBSA-N -1 0 303.358 2.426 50 0 DEAARM Cc1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)c(C)c1 ZINC000006678628 181369217 /nfs/dbraw/zinc/36/92/17/181369217.db2.gz CLLQCSXDZCQWOI-UHFFFAOYSA-N -1 0 310.400 2.265 50 0 DEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000630136267 367491041 /nfs/dbraw/zinc/49/10/41/367491041.db2.gz YQGKCQQDPMUJCT-PBHICJAKSA-N -1 0 319.357 2.356 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H]1CC12CCOCC2 ZINC000299745885 304141374 /nfs/dbraw/zinc/14/13/74/304141374.db2.gz TVDWCFFLSVCZQZ-CRWXNKLISA-N -1 0 307.390 2.047 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cc(C2CC2)on1 ZINC000261604989 203079696 /nfs/dbraw/zinc/07/96/96/203079696.db2.gz CRWXKPBLJJEMFE-UHTWSYAYSA-N -1 0 304.346 2.410 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cc(C2CC2)on1 ZINC000261604990 304147076 /nfs/dbraw/zinc/14/70/76/304147076.db2.gz CRWXKPBLJJEMFE-WXHSDQCUSA-N -1 0 304.346 2.410 50 0 DEAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000001309980 284129941 /nfs/dbraw/zinc/12/99/41/284129941.db2.gz SSMUTIZWENJZFM-UHFFFAOYSA-N -1 0 324.340 2.159 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1cn(C)nc1C1CCCCC1 ZINC000262232782 203235748 /nfs/dbraw/zinc/23/57/48/203235748.db2.gz AOPYIZJYNSQFOW-UHFFFAOYSA-N -1 0 307.394 2.405 50 0 DEAARM COCc1cc(NC(=O)[C@H]2CCO[C@H](C)C2)cc(C(=O)[O-])c1 ZINC000263100840 203437191 /nfs/dbraw/zinc/43/71/91/203437191.db2.gz OFSKFFAKGAIXAL-PWSUYJOCSA-N -1 0 307.346 2.285 50 0 DEAARM C[C@@](NC(=O)c1cc(-c2cccs2)n[nH]1)(C(=O)[O-])C1CC1 ZINC000095989604 193480681 /nfs/dbraw/zinc/48/06/81/193480681.db2.gz LEISRRLKZWMYGP-AWEZNQCLSA-N -1 0 305.359 2.121 50 0 DEAARM CCc1nc(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cs1 ZINC000095992025 193482332 /nfs/dbraw/zinc/48/23/32/193482332.db2.gz UEXLUPISAJPHNU-LLVKDONJSA-N -1 0 310.419 2.351 50 0 DEAARM CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OCC ZINC000013170426 181836477 /nfs/dbraw/zinc/83/64/77/181836477.db2.gz RTYKDQCLHMQXOA-ZDUSSCGKSA-N -1 0 321.373 2.421 50 0 DEAARM O=C([O-])Cc1csc(NC(=O)CCc2ccccc2F)n1 ZINC000013406662 181848291 /nfs/dbraw/zinc/84/82/91/181848291.db2.gz WZPFWLHMXBVUIS-UHFFFAOYSA-N -1 0 308.334 2.481 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2nc3c(s2)CCCC3)cn1 ZINC000017032524 182070596 /nfs/dbraw/zinc/07/05/96/182070596.db2.gz DLUVBFKLFGLUOQ-UHFFFAOYSA-N -1 0 312.420 2.039 50 0 DEAARM O=c1[n-]c(=O)c(SCc2ccc(Cl)cc2Cl)n[nH]1 ZINC000016940820 182065160 /nfs/dbraw/zinc/06/51/60/182065160.db2.gz CPIVFBSMLUWACU-UHFFFAOYSA-N -1 0 304.158 2.470 50 0 DEAARM CNc1nnc(SCc2nc(=O)c3sccc3[n-]2)s1 ZINC000019299122 182113673 /nfs/dbraw/zinc/11/36/73/182113673.db2.gz JUFUXHCFAYEIKP-UHFFFAOYSA-N -1 0 311.417 2.170 50 0 DEAARM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037436002 296210072 /nfs/dbraw/zinc/21/00/72/296210072.db2.gz RKFYXZLLQZEWKE-MNOVXSKESA-N -1 0 311.765 2.431 50 0 DEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000096191695 304181315 /nfs/dbraw/zinc/18/13/15/304181315.db2.gz VDXNAWZSCMHEQV-OLZOCXBDSA-N -1 0 316.357 2.401 50 0 DEAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2cn(C)cn2)c(C)c1 ZINC000021030640 182262470 /nfs/dbraw/zinc/26/24/70/182262470.db2.gz QUPVWQUMICAHQK-UHFFFAOYSA-N -1 0 322.434 2.376 50 0 DEAARM O=C([O-])C1=Nc2nnnn2[C@@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000101675748 193834707 /nfs/dbraw/zinc/83/47/07/193834707.db2.gz AGEGMBHGYHPHDP-OAHLLOKOSA-N -1 0 319.324 2.324 50 0 DEAARM CN(Cc1csc(Br)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000042362757 183259535 /nfs/dbraw/zinc/25/95/35/183259535.db2.gz NTXLUFHZBOFQMR-JGVFFNPUSA-N -1 0 318.192 2.190 50 0 DEAARM O=C([O-])c1cc(-c2cccc(Cl)c2)nc2[nH]c(=O)[nH]c(=O)c12 ZINC000044978465 304219355 /nfs/dbraw/zinc/21/93/55/304219355.db2.gz PNIUAHVFUFGFIL-UHFFFAOYSA-N -1 0 317.688 2.042 50 0 DEAARM COc1ccc(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000268918633 207084759 /nfs/dbraw/zinc/08/47/59/207084759.db2.gz RDIWZXZPHLYWGO-NXEZZACHSA-N -1 0 317.263 2.051 50 0 DEAARM COc1ccc(NC(C)=O)c([N-]S(=O)(=O)c2ccccc2)c1 ZINC000057121871 184027620 /nfs/dbraw/zinc/02/76/20/184027620.db2.gz BBHXXLPLRXPXLI-UHFFFAOYSA-N -1 0 320.370 2.454 50 0 DEAARM CCc1ccccc1NC(=O)[C@@H](Cc1cccnc1)c1nnn[n-]1 ZINC000057523472 184040965 /nfs/dbraw/zinc/04/09/65/184040965.db2.gz SJELYPBSSILFLP-AWEZNQCLSA-N -1 0 322.372 2.122 50 0 DEAARM CC(C)Oc1ccc(C(=O)NC2(C(=O)[O-])CCCCC2)cn1 ZINC000058365112 184109593 /nfs/dbraw/zinc/10/95/93/184109593.db2.gz QRAZGXKEEINKEY-UHFFFAOYSA-N -1 0 306.362 2.386 50 0 DEAARM CCOc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1OCC ZINC000269049637 207198835 /nfs/dbraw/zinc/19/88/35/207198835.db2.gz UVFVGTOKLAONRG-KRWDZBQOSA-N -1 0 321.373 2.421 50 0 DEAARM Cc1nnc2c(S(=O)(=O)[N-]c3ccc(C)cc3)cccn12 ZINC000062592000 184244607 /nfs/dbraw/zinc/24/46/07/184244607.db2.gz MTGXWTLQVKLFEF-UHFFFAOYSA-N -1 0 302.359 2.147 50 0 DEAARM O=C([O-])c1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 ZINC000016676184 304232589 /nfs/dbraw/zinc/23/25/89/304232589.db2.gz KDKFYJAAJWVHNF-NTEUORMPSA-N -1 0 322.345 2.155 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(Cc2scnc2-c2ccccc2)C1 ZINC000065422577 184341679 /nfs/dbraw/zinc/34/16/79/184341679.db2.gz KUTDWJSRCBRNRU-NSHDSACASA-N -1 0 302.355 2.243 50 0 DEAARM O=C([N-]O[C@@H]1CCCCO1)[C@H]1CCCN1C(=O)C1CCCCC1 ZINC000065475241 184351966 /nfs/dbraw/zinc/35/19/66/184351966.db2.gz WLLPAAYBYIWUPA-HUUCEWRRSA-N -1 0 324.421 2.132 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000269192893 207312630 /nfs/dbraw/zinc/31/26/30/207312630.db2.gz OTTVPHWCHVJQAK-BRAIEQGRSA-N -1 0 302.355 2.243 50 0 DEAARM O=C([O-])c1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 ZINC000016101436 304248298 /nfs/dbraw/zinc/24/82/98/304248298.db2.gz LXQKVAFHBQVHMD-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM CC(C)[C@H](NC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000155929252 197076179 /nfs/dbraw/zinc/07/61/79/197076179.db2.gz OAPDHLFYXFZNFZ-QMMMGPOBSA-N -1 0 306.181 2.350 50 0 DEAARM O=C([O-])c1ccccc1C(=O)NC1=NN(c2ccccc2)CC1 ZINC000000257802 304267104 /nfs/dbraw/zinc/26/71/04/304267104.db2.gz OBTVALCREXQEBN-UHFFFAOYSA-N -1 0 309.325 2.338 50 0 DEAARM C[C@H]1C[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)CCO1 ZINC000683298005 542424207 /nfs/dbraw/zinc/42/42/07/542424207.db2.gz QZUJILTXZRWNFC-ZFWWWQNUSA-N -1 0 305.374 2.305 50 0 DEAARM O=C([O-])[C@H]1CCC[C@@H](C(=O)N2CCOc3ccccc3C2)C1 ZINC000316358435 257236696 /nfs/dbraw/zinc/23/66/96/257236696.db2.gz SICXDCPLAGXQIN-OLZOCXBDSA-N -1 0 303.358 2.299 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000237941622 257238458 /nfs/dbraw/zinc/23/84/58/257238458.db2.gz DDSFLTOXQDKGLG-AWEZNQCLSA-N -1 0 303.358 2.481 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cc(-c2ccccc2)on1 ZINC000136486541 257239498 /nfs/dbraw/zinc/23/94/98/257239498.db2.gz VNAUZRMDXCOTIK-AWEZNQCLSA-N -1 0 314.341 2.350 50 0 DEAARM Cc1ccc(Br)cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000087742016 257260690 /nfs/dbraw/zinc/26/06/90/257260690.db2.gz QNXNGYGGALVBLH-VIFPVBQESA-N -1 0 312.163 2.304 50 0 DEAARM Cc1cc(C)n(-c2cncc(NC3CCC(C(=O)[O-])CC3)n2)n1 ZINC000263568094 132591473 /nfs/dbraw/zinc/59/14/73/132591473.db2.gz YDNBZHQDAKYRTG-UHFFFAOYSA-N -1 0 315.377 2.334 50 0 DEAARM CCOCc1ccccc1CNC(=O)N1CCC(C(=O)[O-])CC1 ZINC000263003963 145317480 /nfs/dbraw/zinc/31/74/80/145317480.db2.gz NALTWDZFKAULQV-UHFFFAOYSA-N -1 0 320.389 2.229 50 0 DEAARM Cc1nc(-c2cccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)c2)no1 ZINC000263168080 145331470 /nfs/dbraw/zinc/33/14/70/145331470.db2.gz FOBQMDURIKFJFG-NEPJUHHUSA-N -1 0 315.329 2.484 50 0 DEAARM CC(C)[C@]1(C)N=C(c2nc3ccccc3cc2C(=O)[O-])NC1=O ZINC000003851894 401725048 /nfs/dbraw/zinc/72/50/48/401725048.db2.gz CABMTIJINOIHOD-KRWDZBQOSA-N -1 0 311.341 2.224 50 0 in-vitro DEAARM CC(C)Sc1ncc(S(=O)(=O)c2ccccc2)c(=O)[n-]1 ZINC000006173440 401730717 /nfs/dbraw/zinc/73/07/17/401730717.db2.gz BGEWLDNJLCIOCV-UHFFFAOYSA-N -1 0 310.400 2.103 50 0 DEAARM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)[C@@H]1C ZINC000005788651 401730972 /nfs/dbraw/zinc/73/09/72/401730972.db2.gz AEOULEMWISPJTA-GYSYKLTISA-N -1 0 311.403 2.488 50 0 DEAARM CCSc1nnc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])s1 ZINC000000113491 401688166 /nfs/dbraw/zinc/68/81/66/401688166.db2.gz RFVBTVMRNXFBMX-HTQZYQBOSA-N -1 0 313.404 2.256 50 0 DEAARM COc1ccc(OC)c(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000000538789 401700504 /nfs/dbraw/zinc/70/05/04/401700504.db2.gz DOCRVOWHIBVZGY-LBPRGKRZSA-N -1 0 310.350 2.325 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccn2)[C@@H]1c1ccsc1 ZINC000072275699 401705467 /nfs/dbraw/zinc/70/54/67/401705467.db2.gz BXTNSAYFBJLBHM-DZGCQCFKSA-N -1 0 316.382 2.360 50 0 DEAARM O=C([O-])CCC(=O)c1ccc(I)cc1 ZINC000002579888 401715338 /nfs/dbraw/zinc/71/53/38/401715338.db2.gz KWWZSFSPTHZIBN-UHFFFAOYSA-N -1 0 304.083 2.339 50 0 DEAARM O=C([O-])Cc1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 ZINC000013420830 401800182 /nfs/dbraw/zinc/80/01/82/401800182.db2.gz OOGYTNDSQOCUKB-UHFFFAOYSA-N -1 0 317.316 2.148 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000013591528 401801397 /nfs/dbraw/zinc/80/13/97/401801397.db2.gz BSWLUSVVOOVZIR-GWCFXTLKSA-N -1 0 316.361 2.065 50 0 DEAARM COc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)c(C(=O)[O-])c1 ZINC000013086778 401795951 /nfs/dbraw/zinc/79/59/51/401795951.db2.gz OYWBGAIUQJVUFA-BXUZGUMPSA-N -1 0 321.373 2.467 50 0 DEAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2sccc2C(N)=O)C1 ZINC000017056026 401819981 /nfs/dbraw/zinc/81/99/81/401819981.db2.gz IUOTZCLCDAGPOC-MNOVXSKESA-N -1 0 322.386 2.233 50 0 DEAARM O=c1c2c3c(sc2[n-]c(=S)n1Cc1cc[nH]n1)CCC3 ZINC000017031105 401820248 /nfs/dbraw/zinc/82/02/48/401820248.db2.gz KWDMLQHDEVVXCY-UHFFFAOYSA-N -1 0 304.400 2.381 50 0 DEAARM Cc1ccccc1N1C(=O)C[C@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000025539510 401835625 /nfs/dbraw/zinc/83/56/25/401835625.db2.gz ZMLTZLICTWBQFS-AWEZNQCLSA-N -1 0 324.336 2.437 50 0 DEAARM CCC[C@H](C)NC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000032795136 401883124 /nfs/dbraw/zinc/88/31/24/401883124.db2.gz YCCUPBSXESSJEU-JTQLQIEISA-N -1 0 314.407 2.496 50 0 DEAARM COc1ccc(-c2csc3ncc(C(=O)[O-])c(=O)n23)cc1 ZINC000034776328 401894101 /nfs/dbraw/zinc/89/41/01/401894101.db2.gz KXJXGPYNRXVXTR-UHFFFAOYSA-N -1 0 302.311 2.130 50 0 DEAARM CC(C)(C)C(=O)Nc1ccnc(I)c1[O-] ZINC000035270533 401897550 /nfs/dbraw/zinc/89/75/50/401897550.db2.gz YPBLOIHQOGCARH-UHFFFAOYSA-N -1 0 320.130 2.376 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(c2cccc(C(=O)[O-])c2)CC1 ZINC000039952770 401924232 /nfs/dbraw/zinc/92/42/32/401924232.db2.gz CUQKZVZRDLXPHZ-UHFFFAOYSA-N -1 0 306.362 2.442 50 0 DEAARM CCC[C@@H](CC(=O)[O-])NC(=O)COc1ccc(F)cc1F ZINC000135712178 401951245 /nfs/dbraw/zinc/95/12/45/401951245.db2.gz DKICJAGQJSEWNS-JTQLQIEISA-N -1 0 301.289 2.103 50 0 DEAARM Cc1ccc(SCC(=O)N2CCC[C@@H](c3nnn[n-]3)C2)cc1 ZINC000089639212 401955289 /nfs/dbraw/zinc/95/52/89/401955289.db2.gz OMIFRJSCPYFFKD-GFCCVEGCSA-N -1 0 317.418 2.006 50 0 DEAARM CCOc1ccc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000136108100 401960911 /nfs/dbraw/zinc/96/09/11/401960911.db2.gz WCURVRSHXFDZEK-CQSZACIVSA-N -1 0 305.374 2.341 50 0 DEAARM COc1ccc([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)C)cc1OC ZINC000045922913 401963357 /nfs/dbraw/zinc/96/33/57/401963357.db2.gz FKJHUXWRDKKLHI-XHDPSFHLSA-N -1 0 307.346 2.086 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ncoc1-c1cccs1 ZINC000136494278 401968601 /nfs/dbraw/zinc/96/86/01/401968601.db2.gz AQBHKLHNWDTACH-VIFPVBQESA-N -1 0 306.343 2.482 50 0 DEAARM COc1ncccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000047521106 401983296 /nfs/dbraw/zinc/98/32/96/401983296.db2.gz DZTAAUQXQRBTDP-UHFFFAOYSA-N -1 0 304.371 2.380 50 0 DEAARM COc1ccc(-c2cc(N3CCC(C(=O)[O-])CC3)ncn2)cc1 ZINC000049455660 402017927 /nfs/dbraw/zinc/01/79/27/402017927.db2.gz CPZWZARMGPIDBH-UHFFFAOYSA-N -1 0 313.357 2.453 50 0 DEAARM CSCC[C@H](NC(=O)c1cc2ccccc2n1C)C(=O)[O-] ZINC000049543701 402019230 /nfs/dbraw/zinc/01/92/30/402019230.db2.gz VDZKALSZKPCQBO-NSHDSACASA-N -1 0 306.387 2.114 50 0 biogenic DEAARM CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000050363944 402027354 /nfs/dbraw/zinc/02/73/54/402027354.db2.gz RZSWOPVCZXUBLD-VIFPVBQESA-N -1 0 311.769 2.190 50 0 DEAARM O=C([O-])c1cccc([C@@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000095360597 402027986 /nfs/dbraw/zinc/02/79/86/402027986.db2.gz OWIAZJSQGBGOEY-CYBMUJFWSA-N -1 0 309.387 2.056 50 0 DEAARM O=C([O-])c1cccc(N2CCC(C(=O)N3CCCCC3)CC2)n1 ZINC000095363288 402028230 /nfs/dbraw/zinc/02/82/30/402028230.db2.gz LEKWVVONGZVZKN-UHFFFAOYSA-N -1 0 317.389 2.009 50 0 DEAARM Cc1nc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)no1 ZINC000095367851 402028376 /nfs/dbraw/zinc/02/83/76/402028376.db2.gz JUZQUXFYCPIOPP-CQSZACIVSA-N -1 0 301.346 2.456 50 0 DEAARM C[C@@](NC(=O)c1ccc(-c2cnco2)cc1)(C(=O)[O-])C1CC1 ZINC000095989625 402043365 /nfs/dbraw/zinc/04/33/65/402043365.db2.gz YXIPJKDURYVVKY-INIZCTEOSA-N -1 0 300.314 2.325 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000095989544 402043403 /nfs/dbraw/zinc/04/34/03/402043403.db2.gz WUTPCKIQEDXKBR-CQSZACIVSA-N -1 0 305.359 2.075 50 0 DEAARM Cc1c(C(=O)NC[C@H](C)CC(=O)[O-])cnn1-c1ccccc1C ZINC000095992063 402043616 /nfs/dbraw/zinc/04/36/16/402043616.db2.gz SVBVYNFSNIQAJL-LLVKDONJSA-N -1 0 315.373 2.330 50 0 DEAARM O=S(=O)([N-]c1nc(-c2ccncc2)ns1)c1cccs1 ZINC000096009604 402046886 /nfs/dbraw/zinc/04/68/86/402046886.db2.gz SVKLJECMBHYTRP-UHFFFAOYSA-N -1 0 324.412 2.462 50 0 DEAARM COC(=O)c1ccc(Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000054753913 402070955 /nfs/dbraw/zinc/07/09/55/402070955.db2.gz NNTXDZFISUKGEL-UHFFFAOYSA-N -1 0 300.339 2.362 50 0 DEAARM Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097039463 402101534 /nfs/dbraw/zinc/10/15/34/402101534.db2.gz HHUOOCRNZUXKPQ-OLZOCXBDSA-N -1 0 313.357 2.164 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000097045081 402101921 /nfs/dbraw/zinc/10/19/21/402101921.db2.gz SYQGCXAMFBZOHB-CYBMUJFWSA-N -1 0 315.373 2.140 50 0 DEAARM CC(C)c1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nn1C ZINC000097045121 402101970 /nfs/dbraw/zinc/10/19/70/402101970.db2.gz ORMCVWWCRBFLER-GFCCVEGCSA-N -1 0 307.394 2.261 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]c2ncccn2)c(Cl)cc1F ZINC000097048782 402102817 /nfs/dbraw/zinc/10/28/17/402102817.db2.gz YCKHUQWRPFFVQI-UHFFFAOYSA-N -1 0 301.730 2.378 50 0 DEAARM Cc1nnsc1C(=O)[N-]c1nnc(COc2ccccc2)o1 ZINC000061973988 402108606 /nfs/dbraw/zinc/10/86/06/402108606.db2.gz WXHHNROKLOXZLJ-UHFFFAOYSA-N -1 0 317.330 2.061 50 0 DEAARM Cc1ccc(CNC(=O)c2c([O-])c3ccccc3n(C)c2=O)cc1 ZINC000100621150 402141709 /nfs/dbraw/zinc/14/17/09/402141709.db2.gz GEWDOSOSMHBARX-UHFFFAOYSA-N -1 0 322.364 2.483 50 0 DEAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1 ZINC000101261245 402144210 /nfs/dbraw/zinc/14/42/10/402144210.db2.gz HTKJKSDXDYLSMD-CABCVRRESA-N -1 0 322.324 2.193 50 0 DEAARM CCN(CC(C)C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000069433500 402223701 /nfs/dbraw/zinc/22/37/01/402223701.db2.gz FZHPFQGJSFLPGD-UHFFFAOYSA-N -1 0 305.403 2.330 50 0 DEAARM Cc1sc2[nH]c(=O)n(-c3ccc(C(=O)[O-])cc3)c(=O)c2c1C ZINC000071289293 402272222 /nfs/dbraw/zinc/27/22/22/402272222.db2.gz YVBKRUMGHSINBD-UHFFFAOYSA-N -1 0 316.338 2.056 50 0 DEAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)c1nc2cc(F)ccc2[nH]1 ZINC000217768195 402293944 /nfs/dbraw/zinc/29/39/44/402293944.db2.gz XPEHJQZUSUDUIC-OAHLLOKOSA-N -1 0 305.309 2.171 50 0 DEAARM Cc1oc(CCNC(=O)OCc2ccccc2)nc1C(=O)[O-] ZINC000218912369 402297183 /nfs/dbraw/zinc/29/71/83/402297183.db2.gz GKPXISSZAGVARA-UHFFFAOYSA-N -1 0 304.302 2.150 50 0 DEAARM CN(Cc1cc(-c2ccccn2)no1)C(=O)c1ccncc1[O-] ZINC000219262636 402298057 /nfs/dbraw/zinc/29/80/57/402298057.db2.gz NBVWMPUAVSREKQ-UHFFFAOYSA-N -1 0 310.313 2.109 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)CCO1 ZINC000221229080 402303455 /nfs/dbraw/zinc/30/34/55/402303455.db2.gz VWOVLEJQELMRIJ-MDHMXLOGSA-N -1 0 315.778 2.117 50 0 DEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)c1c(Cl)nc2ccccn21 ZINC000225479701 402319301 /nfs/dbraw/zinc/31/93/01/402319301.db2.gz OQJWRHVNONNEHG-SECBINFHSA-N -1 0 309.753 2.313 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177479180 402407007 /nfs/dbraw/zinc/40/70/07/402407007.db2.gz WFFWVIRNLWURTA-AWEZNQCLSA-N -1 0 314.341 2.439 50 0 DEAARM Cc1c2cccc(Cl)c2oc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237759878 402420245 /nfs/dbraw/zinc/42/02/45/402420245.db2.gz JDMXVLPVJFTHPI-LLVKDONJSA-N -1 0 323.732 2.320 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000237964523 402428656 /nfs/dbraw/zinc/42/86/56/402428656.db2.gz SQHXEKLLHYXMOM-GUYCJALGSA-N -1 0 317.385 2.404 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2occc2COc2ccccc2)C1 ZINC000238097014 402437673 /nfs/dbraw/zinc/43/76/73/402437673.db2.gz CTPNJXYTARVZCG-LBPRGKRZSA-N -1 0 315.325 2.405 50 0 DEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000238175410 402439971 /nfs/dbraw/zinc/43/99/71/402439971.db2.gz GBUXAOUYEUXJNY-VHSXEESVSA-N -1 0 317.263 2.280 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(F)cc2C(F)(F)F)C1 ZINC000178265939 402477702 /nfs/dbraw/zinc/47/77/02/402477702.db2.gz QAWWVNQXLRXGPZ-ZETCQYMHSA-N -1 0 305.227 2.391 50 0 DEAARM Cc1cc2occ(C(=O)N(C)C[C@H](C)c3nnn[n-]3)c2cc1C ZINC000187351846 402495894 /nfs/dbraw/zinc/49/58/94/402495894.db2.gz BRHPBYPJZBKYQI-NSHDSACASA-N -1 0 313.361 2.438 50 0 DEAARM C[C@H](CNC(=O)Cc1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000170068041 402503260 /nfs/dbraw/zinc/50/32/60/402503260.db2.gz LCQWEULLWQVANI-VIFPVBQESA-N -1 0 303.280 2.475 50 0 DEAARM CCOc1ccc(CN2CC[NH+]([C@@H](CC)C(=O)[O-])CC2)cc1 ZINC000191427405 402669035 /nfs/dbraw/zinc/66/90/35/402669035.db2.gz RSKFNOQAZAPYMQ-INIZCTEOSA-N -1 0 306.406 2.066 50 0 DEAARM CNc1nc(CC(C)N=Nc2ccccc2C(=O)[O-])ns1 ZINC000254404871 402670639 /nfs/dbraw/zinc/67/06/39/402670639.db2.gz YVCRYKIYWAHPFA-UHFFFAOYSA-N -1 0 305.363 2.309 50 0 DEAARM Cc1noc(C)c1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263024884 402741419 /nfs/dbraw/zinc/74/14/19/402741419.db2.gz MIRPOLNXJSWTGN-CYBMUJFWSA-N -1 0 306.293 2.295 50 0 DEAARM COC[C@]1(C(=O)[O-])CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000263097978 402743901 /nfs/dbraw/zinc/74/39/01/402743901.db2.gz TXINIOSWCGPTGS-YATRRXNKSA-N -1 0 321.348 2.179 50 0 DEAARM C[C@@H](C(=O)[O-])C(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000263556447 402781112 /nfs/dbraw/zinc/78/11/12/402781112.db2.gz ONIPTSKHCQAUPC-SFYZADRCSA-N -1 0 305.252 2.483 50 0 DEAARM Cc1cc(Cl)ccc1C(=O)N[C@@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000263243397 402749754 /nfs/dbraw/zinc/74/97/54/402749754.db2.gz FNACLLRWBYALNL-ZWNOBZJWSA-N -1 0 311.765 2.258 50 0 DEAARM C[C@H](CN(C)C(=O)c1csc2ccccc12)c1nnn[n-]1 ZINC000183426604 402766435 /nfs/dbraw/zinc/76/64/35/402766435.db2.gz BMLTXTQQVAYXEB-SECBINFHSA-N -1 0 301.375 2.290 50 0 DEAARM CN(C(=O)c1cc(C(=O)[O-])ccn1)[C@@H]1CCc2ccccc2C1 ZINC000263426450 402768367 /nfs/dbraw/zinc/76/83/67/402768367.db2.gz RJLHPBXTHGVANU-OAHLLOKOSA-N -1 0 310.353 2.409 50 0 DEAARM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000195237240 402838176 /nfs/dbraw/zinc/83/81/76/402838176.db2.gz MHVHFCRJEZAZLJ-UHFFFAOYSA-N -1 0 318.373 2.144 50 0 DEAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000344433992 404135188 /nfs/dbraw/zinc/13/51/88/404135188.db2.gz 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/nfs/dbraw/zinc/00/31/15/196003115.db2.gz QRYFYTZWJMOESX-UHFFFAOYSA-N -1 0 316.180 2.281 50 0 DEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC12CCOCC2 ZINC000237596427 225212074 /nfs/dbraw/zinc/21/20/74/225212074.db2.gz AMTIWJRPUJPCQD-LSDHHAIUSA-N -1 0 317.385 2.444 50 0 DEAARM Cc1csc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)n1 ZINC000069417109 418488343 /nfs/dbraw/zinc/48/83/43/418488343.db2.gz DCTBSSCLQAMJDV-UHFFFAOYSA-N -1 0 322.367 2.359 50 0 DEAARM COCc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)ccc1F ZINC000299742130 229380410 /nfs/dbraw/zinc/38/04/10/229380410.db2.gz HBODCCZMVUUHAI-UHFFFAOYSA-N -1 0 309.337 2.345 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccn2CCc2ccccc2)C1 ZINC000299742188 229379257 /nfs/dbraw/zinc/37/92/57/229379257.db2.gz INKDTQOURKYTBI-OAHLLOKOSA-N -1 0 312.369 2.278 50 0 DEAARM O=C([O-])[C@H]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc21 ZINC000653333756 425464463 /nfs/dbraw/zinc/46/44/63/425464463.db2.gz SUYVVAOGKLWHOS-UXLLHSPISA-N -1 0 323.348 2.420 50 0 DEAARM Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000165534108 301019674 /nfs/dbraw/zinc/01/96/74/301019674.db2.gz KAICSOFHGQFNIT-LLVKDONJSA-N -1 0 315.325 2.038 50 0 DEAARM Cc1cnn([C@@H](C)C2CC2)c1NC(=O)CCc1cc(=O)[n-]o1 ZINC000055254449 302403353 /nfs/dbraw/zinc/40/33/53/302403353.db2.gz WRNXZZYZMVHOSC-JTQLQIEISA-N -1 0 304.350 2.427 50 0 DEAARM Cc1noc(C)c1CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000265552140 302839247 /nfs/dbraw/zinc/83/92/47/302839247.db2.gz HFFDQPNXGCMNOU-BNOWGMLFSA-N -1 0 306.362 2.078 50 0 DEAARM O=C(C[C@H]1SC(=O)[N-]C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000001124268 303653615 /nfs/dbraw/zinc/65/36/15/303653615.db2.gz WNGCNUYBVNHEHM-MRVPVSSYSA-N -1 0 318.276 2.386 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)c(Cl)cn2)cn1 ZINC000096433510 517882057 /nfs/dbraw/zinc/88/20/57/517882057.db2.gz MSPBPUHLLOQWLE-UHFFFAOYSA-N -1 0 321.189 2.406 50 0 DEAARM O=C([O-])[C@@H](NC(=O)N1C[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1)c1ccccc1 ZINC000426523557 534513385 /nfs/dbraw/zinc/51/33/85/534513385.db2.gz PMSGPZIQQOGZGD-NPJQDHAYSA-N -1 0 314.385 2.500 50 0 DEAARM O=C([O-])C1(NC(=O)c2ccc(Br)cc2Cl)CC1 ZINC000203658940 563822307 /nfs/dbraw/zinc/82/23/07/563822307.db2.gz MPCOMQCRECMZPT-UHFFFAOYSA-N -1 0 318.554 2.450 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000169967218 563901923 /nfs/dbraw/zinc/90/19/23/563901923.db2.gz UEGHYVKMVFFPPY-WHGOUJPWSA-N -1 0 301.264 2.398 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N(C)[C@@H](C)C(=O)[O-])cc1 ZINC000299749099 563938820 /nfs/dbraw/zinc/93/88/20/563938820.db2.gz JFZBMLWGXSNOSY-QEJZJMRPSA-N -1 0 305.374 2.394 50 0 DEAARM C[C@](CNC(=O)[C@H]1Cc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000263240514 625427567 /nfs/dbraw/zinc/42/75/67/625427567.db2.gz CDXHURZUMMMHDE-QFBILLFUSA-N -1 0 309.365 2.485 50 0 DEAARM O=C([O-])[C@]1(O)CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000888097546 635542240 /nfs/dbraw/zinc/54/22/40/635542240.db2.gz PNBLYLDNDQQXOD-ZDUSSCGKSA-N -1 0 304.173 2.405 50 0 DEAARM CCN(Cc1noc(C)n1)[C@@H](C(=O)[O-])c1cc(F)ccc1OC ZINC000063869516 683922919 /nfs/dbraw/zinc/92/29/19/683922919.db2.gz YLWQVBDQTOCUAT-CQSZACIVSA-N -1 0 323.324 2.174 50 0 DEAARM CCCS(=O)(=O)[N-]C(=O)/C=C\c1ccnc2ccccc12 ZINC000098013025 684055734 /nfs/dbraw/zinc/05/57/34/684055734.db2.gz ULFHCRVGJMXCBY-FPLPWBNLSA-N -1 0 304.371 2.104 50 0 DEAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N(C)Cc1cnn(C)c1 ZINC001506416538 1061960379 /nfs/dbraw/zinc/96/03/79/1061960379.db2.gz WRJUOAYDHKROFT-AWEZNQCLSA-N -1 0 323.780 2.340 50 0 DEAARM Cc1ccccc1N1CC[C@@H](CNc2cnc(C(=O)[O-])cn2)C1 ZINC001506422466 1061967246 /nfs/dbraw/zinc/96/72/46/1061967246.db2.gz BLHLWMDQHOTNNY-ZDUSSCGKSA-N -1 0 312.373 2.422 50 0 DEAARM CC(=O)c1ccc(OCC(=O)NCCCCCCC(=O)[O-])cc1 ZINC000095469798 185372745 /nfs/dbraw/zinc/37/27/45/185372745.db2.gz PQMRQUCOCSBBSH-UHFFFAOYSA-N -1 0 321.373 2.419 50 0 DEAARM Cc1cccc([C@H](C(=O)NCC2(C(=O)[O-])CCCC2)N(C)C)c1 ZINC000095502998 185375015 /nfs/dbraw/zinc/37/50/15/185375015.db2.gz MENAKJBBHIVHHV-OAHLLOKOSA-N -1 0 318.417 2.359 50 0 DEAARM Cc1ccc2nc(C)c(C)c(C(=O)N[C@@H](C)c3nnn[n-]3)c2c1 ZINC000095510086 185376040 /nfs/dbraw/zinc/37/60/40/185376040.db2.gz SIVFFKLZWOZRHI-NSHDSACASA-N -1 0 310.361 2.164 50 0 DEAARM COc1ccc([C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])c(OC)c1 ZINC000095748980 185383902 /nfs/dbraw/zinc/38/39/02/185383902.db2.gz RLFDKQZQLPTHDQ-GFCCVEGCSA-N -1 0 311.334 2.354 50 0 DEAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095446037 185367628 /nfs/dbraw/zinc/36/76/28/185367628.db2.gz OPPDYWOJXUYGIY-QJPTWQEYSA-N -1 0 317.418 2.079 50 0 DEAARM CC1(C)CCc2cc(CC(=O)NCCCC(=O)[O-])ccc2O1 ZINC000217916170 539726887 /nfs/dbraw/zinc/72/68/87/539726887.db2.gz CKLIHZSDKXRZLM-UHFFFAOYSA-N -1 0 305.374 2.314 50 0 biogenic DEAARM Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC2CC2)sc1Cl ZINC000231806661 539735235 /nfs/dbraw/zinc/73/52/35/539735235.db2.gz DENHBYGRAHPTGQ-UHFFFAOYSA-N -1 0 323.823 2.195 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C1 ZINC000237965162 539751799 /nfs/dbraw/zinc/75/17/99/539751799.db2.gz UHEZXTQWYCAJCE-XHDPSFHLSA-N -1 0 321.348 2.233 50 0 DEAARM O=C([O-])C[C@H]1COCCN1Cc1cnc(C2CCCCC2)nc1 ZINC000072170336 191068786 /nfs/dbraw/zinc/06/87/86/191068786.db2.gz VKGXMDYXQCHSBQ-HNNXBMFYSA-N -1 0 319.405 2.200 50 0 DEAARM C[C@@H](Cc1ccc(NC(=O)[C@H](C)n2cccn2)cc1)C(=O)[O-] ZINC000262877481 186317253 /nfs/dbraw/zinc/31/72/53/186317253.db2.gz XFTUUIJQAXTMKE-RYUDHWBXSA-N -1 0 301.346 2.346 50 0 DEAARM C[C@@H](Nc1cc(-c2ccccc2F)nc2ccnn21)c1nnn[n-]1 ZINC000072409397 191154791 /nfs/dbraw/zinc/15/47/91/191154791.db2.gz RCBDQERCFKULPE-SECBINFHSA-N -1 0 324.323 2.222 50 0 DEAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000000048271 180677443 /nfs/dbraw/zinc/67/74/43/180677443.db2.gz SPHKENASABCBDR-UHFFFAOYSA-N -1 0 323.374 2.441 50 0 DEAARM COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCC(=O)[O-])CC2 ZINC000000152636 180710505 /nfs/dbraw/zinc/71/05/05/180710505.db2.gz HBUAYNBDEBEVJW-SNVBAGLBSA-N -1 0 307.346 2.014 50 0 biogenic DEAARM O=c1c2ccccc2[n-]c(=S)n1CCn1cc(Cl)cn1 ZINC000002554068 180934568 /nfs/dbraw/zinc/93/45/68/180934568.db2.gz OHYNNFQGVICVSI-UHFFFAOYSA-N -1 0 306.778 2.235 50 0 DEAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1c(C)n[nH]c1C ZINC000003566113 181036118 /nfs/dbraw/zinc/03/61/18/181036118.db2.gz YDAGZHBVTGBYKX-UHFFFAOYSA-N -1 0 315.782 2.489 50 0 DEAARM CC(C)(C)n1nc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1C1CC1 ZINC000236770610 202000617 /nfs/dbraw/zinc/00/06/17/202000617.db2.gz XZIAXXHXCHWQFA-LLVKDONJSA-N -1 0 305.378 2.062 50 0 DEAARM COc1ccc(OC)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000004854653 181163983 /nfs/dbraw/zinc/16/39/83/181163983.db2.gz OMMCLSTYKQPZHQ-RYUDHWBXSA-N -1 0 305.330 2.309 50 0 DEAARM CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1F ZINC000004870102 181167219 /nfs/dbraw/zinc/16/72/19/181167219.db2.gz PGLPATUVQSAGBW-UHFFFAOYSA-N -1 0 309.318 2.349 50 0 DEAARM Cc1cc(C(=O)Nc2nc3ccc(Br)cn3n2)on1 ZINC000078987398 355289498 /nfs/dbraw/zinc/28/94/98/355289498.db2.gz JPDRFYQTFRYCDZ-UHFFFAOYSA-N 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356437575 /nfs/dbraw/zinc/43/75/75/356437575.db2.gz OZJJFMVEKHIRML-MRXNPFEDSA-N -1 0 308.378 2.470 50 0 DEAARM CCCCO[C@@H](C)C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000236841874 202033489 /nfs/dbraw/zinc/03/34/89/202033489.db2.gz GXVQJGOUFPZTSS-WFASDCNBSA-N -1 0 305.374 2.230 50 0 DEAARM CCc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000237134612 202161734 /nfs/dbraw/zinc/16/17/34/202161734.db2.gz UUKXRXNOVMPOQW-UHFFFAOYSA-N -1 0 305.374 2.345 50 0 DEAARM COc1ccc(C[C@@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000237217111 202193626 /nfs/dbraw/zinc/19/36/26/202193626.db2.gz VBELTXXEPQEZJN-TZMCWYRMSA-N -1 0 305.374 2.197 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc2C1 ZINC000299743515 304062430 /nfs/dbraw/zinc/06/24/30/304062430.db2.gz NXTYDXPYADCQPT-HUUCEWRRSA-N -1 0 317.385 2.484 50 0 DEAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000237282224 202217266 /nfs/dbraw/zinc/21/72/66/202217266.db2.gz RQWSTWYHRFTNBK-NEPJUHHUSA-N -1 0 311.765 2.003 50 0 DEAARM O=C([O-])C[C@@H]1CSCCN1C(=O)c1csc(C2CC2)n1 ZINC000141267263 304080886 /nfs/dbraw/zinc/08/08/86/304080886.db2.gz RHQKXLMHDQJDNL-SECBINFHSA-N -1 0 312.416 2.053 50 0 DEAARM C[C@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000668315908 540646075 /nfs/dbraw/zinc/64/60/75/540646075.db2.gz WBBIDDIKZVVEBO-WMZOPIPTSA-N -1 0 317.385 2.391 50 0 DEAARM Cc1noc(C2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)n1 ZINC000237684129 202327502 /nfs/dbraw/zinc/32/75/02/202327502.db2.gz DALQVLOYYZWPKV-UHFFFAOYSA-N -1 0 315.329 2.096 50 0 DEAARM CSCC[C@H](NC(=O)N(C)C1Cc2ccccc2C1)C(=O)[O-] ZINC000670457980 540937155 /nfs/dbraw/zinc/93/71/55/540937155.db2.gz XLQKMJYJUKOZPA-AWEZNQCLSA-N -1 0 322.430 2.002 50 0 DEAARM O=c1oc2cc(OCc3nnn[n-]3)c(Cl)cc2c2c1CCC2 ZINC000006223306 181321026 /nfs/dbraw/zinc/32/10/26/181321026.db2.gz SKYVSEPYOJCZFX-UHFFFAOYSA-N -1 0 318.720 2.027 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](Cc1cnc2ccccc2n1)C(=O)[O-] ZINC000006357324 181333819 /nfs/dbraw/zinc/33/38/19/181333819.db2.gz 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193039680 /nfs/dbraw/zinc/03/96/80/193039680.db2.gz SNTDNKYNZLJIIP-UONOGXRCSA-N -1 0 320.364 2.120 50 0 DEAARM O=c1[n-]c(CN(CCc2ccccc2)c2ccc(O)cc2)n[nH]1 ZINC000091622233 193080895 /nfs/dbraw/zinc/08/08/95/193080895.db2.gz NDUDTMGSNRBSFD-UHFFFAOYSA-N -1 0 310.357 2.053 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1noc2c1CCCC2 ZINC000252551369 304144642 /nfs/dbraw/zinc/14/46/42/304144642.db2.gz UDFSDXUHOFKILU-UHTWSYAYSA-N -1 0 318.373 2.411 50 0 DEAARM Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC000262639946 203362136 /nfs/dbraw/zinc/36/21/36/203362136.db2.gz PWDJRRNYUDCTAZ-CABCVRRESA-N -1 0 317.385 2.394 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2ccc(F)c(F)c2F)CC1 ZINC000094183575 193347810 /nfs/dbraw/zinc/34/78/10/193347810.db2.gz XTRGKZTUHLLYAT-UHFFFAOYSA-N -1 0 301.264 2.477 50 0 DEAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc2c(s1)CCOC2 ZINC000263111880 304157421 /nfs/dbraw/zinc/15/74/21/304157421.db2.gz WMJMOSJRQIHGOG-UDZFHETQSA-N -1 0 321.398 2.146 50 0 DEAARM COC(=O)c1ccc(-c2cc(C(=O)[O-])c3nc(C)[nH]c3n2)cc1 ZINC000011694740 181700746 /nfs/dbraw/zinc/70/07/46/181700746.db2.gz ZCZOVFRTAVDYIZ-UHFFFAOYSA-N -1 0 311.297 2.418 50 0 DEAARM O=C([O-])C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 ZINC000011767185 181705086 /nfs/dbraw/zinc/70/50/86/181705086.db2.gz PNPZNMOWWOKEGI-UHFFFAOYSA-N -1 0 300.358 2.424 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)NCc2ccc(F)cc2)c1 ZINC000013341480 181845485 /nfs/dbraw/zinc/84/54/85/181845485.db2.gz LEPVQRRLPZPULC-UHFFFAOYSA-N -1 0 309.318 2.002 50 0 DEAARM CNC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000013249193 181839057 /nfs/dbraw/zinc/83/90/57/181839057.db2.gz IHNWMVDTDZNYQQ-UHFFFAOYSA-N -1 0 304.346 2.020 50 0 DEAARM Cc1nc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cn1C ZINC000015785439 182017173 /nfs/dbraw/zinc/01/71/73/182017173.db2.gz OQUZTLDEKWVGJN-UHFFFAOYSA-N -1 0 303.746 2.322 50 0 DEAARM O=C([O-])CNC(=O)Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000020722561 182243366 /nfs/dbraw/zinc/24/33/66/182243366.db2.gz SHKKLXGSROBVHF-UHFFFAOYSA-N -1 0 310.762 2.207 50 0 DEAARM CC[C@@H](NC(=O)c1c(C(=O)[O-])cnn1C)c1ccc(C)cc1 ZINC000020614598 182238635 /nfs/dbraw/zinc/23/86/35/182238635.db2.gz GDRGJMMUULBWSJ-CYBMUJFWSA-N -1 0 301.346 2.308 50 0 DEAARM O=C([O-])[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000096191696 304181141 /nfs/dbraw/zinc/18/11/41/304181141.db2.gz VDXNAWZSCMHEQV-STQMWFEESA-N -1 0 316.357 2.401 50 0 DEAARM O=C([O-])c1cccc(CN2C(=S)N=NC2[C@@H]2CCCO2)c1 ZINC000020735279 182244980 /nfs/dbraw/zinc/24/49/80/182244980.db2.gz KXRKANZNSMFIDU-NSHDSACASA-N -1 0 305.359 2.165 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(Br)cc1F ZINC000019422903 304186397 /nfs/dbraw/zinc/18/63/97/304186397.db2.gz IDWWBMJBLPPLNL-SNVBAGLBSA-N -1 0 316.126 2.277 50 0 DEAARM CC(C)Oc1cccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000101347705 193811205 /nfs/dbraw/zinc/81/12/05/193811205.db2.gz VFZHDUBGBCJMHP-CYBMUJFWSA-N -1 0 300.318 2.049 50 0 DEAARM CCCC[S@](=N)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528827 183001786 /nfs/dbraw/zinc/00/17/86/183001786.db2.gz IIJKAKPMCGGPSE-UZJPJQLHSA-N -1 0 322.427 2.201 50 0 DEAARM CC(C)(C)c1ncc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000492230073 249020675 /nfs/dbraw/zinc/02/06/75/249020675.db2.gz BBALZKIEPVOQNB-UMCURTJPSA-N -1 0 308.403 2.387 50 0 DEAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2ccccc2)s1 ZINC000040460274 183070070 /nfs/dbraw/zinc/07/00/70/183070070.db2.gz QCVGTYLGJBRZKH-UHFFFAOYSA-N -1 0 310.400 2.185 50 0 DEAARM CCC(=O)N[C@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000041507286 183194770 /nfs/dbraw/zinc/19/47/70/183194770.db2.gz YDURHXZODNNQBG-SNVBAGLBSA-N -1 0 300.152 2.491 50 0 DEAARM CCc1c(C(=O)[O-])nnn1Cc1ccc(Br)cc1 ZINC000050214241 183778089 /nfs/dbraw/zinc/77/80/89/183778089.db2.gz IJLUEXNXZHKSNF-UHFFFAOYSA-N -1 0 310.151 2.350 50 0 DEAARM Cc1ccc(-c2nc(CCNC(=O)[C@H]3C[C@H]3C(=O)[O-])co2)cc1 ZINC000268920515 207086545 /nfs/dbraw/zinc/08/65/45/207086545.db2.gz SJRMOXNPOOZEJK-UONOGXRCSA-N -1 0 314.341 2.029 50 0 DEAARM O=C([O-])CCn1nc(-c2ccc(Br)cc2)ccc1=O ZINC000057352069 184034921 /nfs/dbraw/zinc/03/49/21/184034921.db2.gz RDUMYGVSIWYBFM-UHFFFAOYSA-N -1 0 323.146 2.148 50 0 DEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ncc(Br)s1 ZINC000061835029 184189217 /nfs/dbraw/zinc/18/92/17/184189217.db2.gz RCIDPIQLENJTPG-YFKPBYRVSA-N -1 0 307.169 2.345 50 0 DEAARM CCOc1ccccc1-n1nnc(C(=O)[O-])c1-c1cccnc1 ZINC000062267959 184226352 /nfs/dbraw/zinc/22/63/52/184226352.db2.gz QAZQMLBQGRFHDB-UHFFFAOYSA-N -1 0 310.313 2.426 50 0 DEAARM CCOc1ccc(-n2nnc(C(=O)[O-])c2-c2cccnc2)cc1 ZINC000062267939 184226651 /nfs/dbraw/zinc/22/66/51/184226651.db2.gz ZYVQOLDJNWXFBJ-UHFFFAOYSA-N -1 0 310.313 2.426 50 0 DEAARM CCN(Cc1noc(CC(C)C)n1)Cc1ncccc1C(=O)[O-] ZINC000065387412 184333994 /nfs/dbraw/zinc/33/39/94/184333994.db2.gz GSDUTKKEOGONNT-UHFFFAOYSA-N -1 0 318.377 2.383 50 0 DEAARM CCCCN(CCCCO)C(=O)c1ccccc1NCC(=O)[O-] ZINC000065380495 184332071 /nfs/dbraw/zinc/33/20/71/184332071.db2.gz PMEJBDPPUDSITO-UHFFFAOYSA-N -1 0 322.405 2.198 50 0 DEAARM CCN(CC)C(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000065547967 184363995 /nfs/dbraw/zinc/36/39/95/184363995.db2.gz PWWZMYRKNQGKCZ-UHFFFAOYSA-N -1 0 324.324 2.430 50 0 DEAARM COc1cc(OC)cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000299744692 533063840 /nfs/dbraw/zinc/06/38/40/533063840.db2.gz UHASJQFVKYIMRT-GFCCVEGCSA-N -1 0 321.373 2.421 50 0 DEAARM O=C([O-])CN(C(=O)Cn1ncc2ccccc21)c1ccccc1 ZINC000156289401 197101961 /nfs/dbraw/zinc/10/19/61/197101961.db2.gz NUAYZUVOEFVQTJ-UHFFFAOYSA-N -1 0 309.325 2.154 50 0 DEAARM Cc1ccccc1CCC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000237719324 257238434 /nfs/dbraw/zinc/23/84/34/257238434.db2.gz MXWJALNDERSLNA-MRXNPFEDSA-N -1 0 319.401 2.410 50 0 DEAARM CSCC[C@H](NC(=O)c1cccc2cccnc21)C(=O)[O-] ZINC000036971530 257242414 /nfs/dbraw/zinc/24/24/14/257242414.db2.gz XKLRRCNCOOSACH-LBPRGKRZSA-N -1 0 304.371 2.171 50 0 DEAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1cc(Cl)ccn1 ZINC000069654861 184832814 /nfs/dbraw/zinc/83/28/14/184832814.db2.gz ZVNYQZSXYTUJPV-UHFFFAOYSA-N -1 0 316.704 2.331 50 0 DEAARM CC(=O)N1CCC[C@@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121134174 195297473 /nfs/dbraw/zinc/29/74/73/195297473.db2.gz ZMCZWOIJDKGPMW-LLVKDONJSA-N -1 0 305.359 2.066 50 0 DEAARM CCc1nnc(C)cc1C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000262072029 145259450 /nfs/dbraw/zinc/25/94/50/145259450.db2.gz GGEQQSRQIJZITA-LBPRGKRZSA-N -1 0 305.378 2.207 50 0 DEAARM Cc1cccc(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1Cl ZINC000262476139 145286486 /nfs/dbraw/zinc/28/64/86/145286486.db2.gz VAOCGHPVFJYIJZ-NSHDSACASA-N -1 0 305.783 2.036 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2cscn2)C[C@@H]1c1ccccc1 ZINC000262832516 145306896 /nfs/dbraw/zinc/30/68/96/145306896.db2.gz GAZDHNZSYNFPEU-VXGBXAGGSA-N -1 0 302.355 2.084 50 0 DEAARM CCOC(=O)c1sc2[n-]c(C(F)(F)F)nc(=O)c2c1C ZINC000004864299 285978908 /nfs/dbraw/zinc/97/89/08/285978908.db2.gz VGDFXLHTWVESDQ-UHFFFAOYSA-N -1 0 306.265 2.489 50 0 DEAARM Cc1oc(CNC(=O)[C@@H]2Cc3cccc(F)c3O2)cc1C(=O)[O-] ZINC000372023175 148161968 /nfs/dbraw/zinc/16/19/68/148161968.db2.gz IOBZMOFATUGAFW-ZDUSSCGKSA-N -1 0 319.288 2.045 50 0 DEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)NCCc1ccccc1 ZINC000006742343 401732133 /nfs/dbraw/zinc/73/21/33/401732133.db2.gz XOZAHVYJTCZYCE-SSHXOBKSSA-N -1 0 301.386 2.482 50 0 DEAARM CCC[C@H](NC(=O)c1ccccc1Br)c1nnn[n-]1 ZINC000075107658 401749566 /nfs/dbraw/zinc/74/95/66/401749566.db2.gz LNRWEANYVHFXDC-JTQLQIEISA-N -1 0 324.182 2.233 50 0 DEAARM CS(=O)(=O)[N-]c1nnc(Cc2ccc(Cl)cc2)s1 ZINC000000073960 401687756 /nfs/dbraw/zinc/68/77/56/401687756.db2.gz IPOLHQVANUCQOZ-UHFFFAOYSA-N -1 0 303.796 2.154 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C(C)C)cc2)no1 ZINC000000120950 401688316 /nfs/dbraw/zinc/68/83/16/401688316.db2.gz HAVRDIHRFKGUAC-UHFFFAOYSA-N -1 0 323.374 2.378 50 0 DEAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000000155939 401688615 /nfs/dbraw/zinc/68/86/15/401688615.db2.gz MCRMUCXATQAAMN-OAHLLOKOSA-N -1 0 315.325 2.314 50 0 biogenic,in-vitro DEAARM CC(=O)Nc1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000000190903 401689711 /nfs/dbraw/zinc/68/97/11/401689711.db2.gz PSZQNXKRIHBZKI-UHFFFAOYSA-N -1 0 324.292 2.144 50 0 DEAARM CCSc1nnc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])s1 ZINC000000205009 401690264 /nfs/dbraw/zinc/69/02/64/401690264.db2.gz BNSAWHKPOCOZKJ-HTQZYQBOSA-N -1 0 315.420 2.480 50 0 DEAARM O=C([O-])CCC(=O)Nc1cccc(NC(=O)c2nccs2)c1 ZINC000000260939 401693020 /nfs/dbraw/zinc/69/30/20/401693020.db2.gz OVZQFZQEDYDCPD-UHFFFAOYSA-N -1 0 319.342 2.199 50 0 DEAARM CN(C)/C=C1/C(=O)c2sccc2[C@H]1[N-]C(=O)C(F)(F)F ZINC000001386558 401706375 /nfs/dbraw/zinc/70/63/75/401706375.db2.gz CMVMKIWABGOSPV-WVXIBAHESA-N -1 0 304.293 2.110 50 0 DEAARM O=C([O-])CCCNS(=O)(=O)c1c(Cl)cccc1Cl ZINC000001795959 401711211 /nfs/dbraw/zinc/71/12/11/401711211.db2.gz BLPFFXGOTABICA-UHFFFAOYSA-N -1 0 312.174 2.137 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000002389100 401713328 /nfs/dbraw/zinc/71/33/28/401713328.db2.gz UOQWIQGAZKFCDC-JTQLQIEISA-N -1 0 309.318 2.456 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-] ZINC000002583078 401715329 /nfs/dbraw/zinc/71/53/29/401715329.db2.gz FDLAXTKUGQAPTA-LLVKDONJSA-N -1 0 305.334 2.083 50 0 DEAARM CC(=O)N1CCc2ccc(S(=O)(=O)[N-]c3ccsc3)cc21 ZINC000076082572 401780983 /nfs/dbraw/zinc/78/09/83/401780983.db2.gz NCCQPLLNHUKSAB-UHFFFAOYSA-N -1 0 322.411 2.458 50 0 DEAARM O=C([O-])C[C@@H](c1ccc(OCc2ccccc2)cc1)n1cnnn1 ZINC000012376533 401784387 /nfs/dbraw/zinc/78/43/87/401784387.db2.gz QVCHQAJCIJKGSP-INIZCTEOSA-N -1 0 324.340 2.316 50 0 DEAARM COc1ccccc1CNC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000013079769 401795684 /nfs/dbraw/zinc/79/56/84/401795684.db2.gz VDRPSFCYNHTMLW-UHFFFAOYSA-N -1 0 315.325 2.089 50 0 DEAARM COC[C@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000013034879 401795910 /nfs/dbraw/zinc/79/59/10/401795910.db2.gz KFZLZXHIMXWBAE-NSHDSACASA-N -1 0 317.341 2.068 50 0 DEAARM Cc1oc2ncn(Cc3cccc(F)c3F)c(=O)c2c1C(=O)[O-] ZINC000013057732 401796001 /nfs/dbraw/zinc/79/60/01/401796001.db2.gz SKRGZEYUTVJHON-UHFFFAOYSA-N -1 0 320.251 2.323 50 0 DEAARM CCOc1ccc(-c2ccnc(N[C@H](C)CO)n2)cc1C(=O)[O-] ZINC000077565428 401820525 /nfs/dbraw/zinc/82/05/25/401820525.db2.gz UVELHHIQCREWTF-SNVBAGLBSA-N -1 0 317.345 2.033 50 0 DEAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c1 ZINC000033274038 401890229 /nfs/dbraw/zinc/89/02/29/401890229.db2.gz HZCDZYSJORTYCS-HUUCEWRRSA-N -1 0 322.324 2.193 50 0 DEAARM Cc1nn2c([n-]1)nc(C)c(NC(=O)Nc1cccc(F)c1)c2=O ZINC000033266182 401890438 /nfs/dbraw/zinc/89/04/38/401890438.db2.gz RONXZUKTGLVUKP-UHFFFAOYSA-N -1 0 316.296 2.230 50 0 DEAARM CCCOc1ccc(CCC(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000033451763 401890962 /nfs/dbraw/zinc/89/09/62/401890962.db2.gz FYWNMBFPNYAJBX-OAHLLOKOSA-N -1 0 305.374 2.484 50 0 DEAARM Cc1cccc2nc(C(=O)NCc3ccc(C(=O)[O-])cc3)cn21 ZINC000033519094 401891198 /nfs/dbraw/zinc/89/11/98/401891198.db2.gz XQHSDZUREKAIDK-UHFFFAOYSA-N -1 0 309.325 2.271 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2F)c[nH]1 ZINC000036983650 401909672 /nfs/dbraw/zinc/90/96/72/401909672.db2.gz SVNXLYWLVGFJLQ-UHFFFAOYSA-N -1 0 318.713 2.306 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ccccc1Br ZINC000037517835 401914420 /nfs/dbraw/zinc/91/44/20/401914420.db2.gz IJZVSYQXNZDJJD-SFGNSQDASA-N -1 0 312.163 2.347 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000136125056 401960883 /nfs/dbraw/zinc/96/08/83/401960883.db2.gz JZIDCOPOHVCTFV-CYBMUJFWSA-N -1 0 311.341 2.080 50 0 DEAARM CCOc1ccc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000136108056 401960896 /nfs/dbraw/zinc/96/08/96/401960896.db2.gz WCURVRSHXFDZEK-AWEZNQCLSA-N -1 0 305.374 2.341 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnc(-c2ccccc2)nc1 ZINC000136484637 401968295 /nfs/dbraw/zinc/96/82/95/401968295.db2.gz YUTLSZKCYACXNZ-CQSZACIVSA-N -1 0 311.341 2.223 50 0 DEAARM CC(C)Oc1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136504214 401968508 /nfs/dbraw/zinc/96/85/08/401968508.db2.gz GVIPEARIGXBWBV-CQSZACIVSA-N -1 0 305.374 2.482 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000136521705 401968771 /nfs/dbraw/zinc/96/87/71/401968771.db2.gz OWZAOHIVBWVBPW-CQSZACIVSA-N -1 0 317.320 2.091 50 0 DEAARM C[C@@H](CC(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1ccccc1F ZINC000089894506 401971525 /nfs/dbraw/zinc/97/15/25/401971525.db2.gz LCSUJUCJPCFWMN-RYUDHWBXSA-N -1 0 317.368 2.239 50 0 DEAARM C[C@H](NC(=O)c1c([O-])c2sccc2[nH]c1=O)c1ccncc1 ZINC000049409581 402016679 /nfs/dbraw/zinc/01/66/79/402016679.db2.gz FLSMVDDLUYXAMY-QMMMGPOBSA-N -1 0 315.354 2.181 50 0 DEAARM O=S(=O)([N-]c1cnn(C2CCOCC2)c1)c1ccccc1 ZINC000096104631 402059096 /nfs/dbraw/zinc/05/90/96/402059096.db2.gz NPKSSMCCGOKEDA-UHFFFAOYSA-N -1 0 307.375 2.035 50 0 DEAARM O=S(=O)([N-]c1ncccc1F)c1cc(F)c(F)c(F)c1 ZINC000095994116 402044196 /nfs/dbraw/zinc/04/41/96/402044196.db2.gz BIZMNQBCYCUEMJ-UHFFFAOYSA-N -1 0 306.240 2.439 50 0 DEAARM CCSc1nc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000055342773 402080399 /nfs/dbraw/zinc/08/03/99/402080399.db2.gz GNKWAUWXFYGPEE-VIFPVBQESA-N -1 0 314.432 2.121 50 0 DEAARM Cc1ocnc1C(=O)N(CC(=O)[O-])Cc1ccccc1Cl ZINC000097039177 402101437 /nfs/dbraw/zinc/10/14/37/402101437.db2.gz UGOURGRLDJDFOW-UHFFFAOYSA-N -1 0 308.721 2.363 50 0 DEAARM CC(C)Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)[nH]n1 ZINC000097045112 402101857 /nfs/dbraw/zinc/10/18/57/402101857.db2.gz KSBPQKVPMCSTMV-LBPRGKRZSA-N -1 0 307.394 2.325 50 0 DEAARM CC(C)OCCCNC(=O)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097546720 402126894 /nfs/dbraw/zinc/12/68/94/402126894.db2.gz FIDRXLWNWTWMPJ-UHFFFAOYSA-N -1 0 306.337 2.212 50 0 DEAARM CCSc1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000100133402 402139806 /nfs/dbraw/zinc/13/98/06/402139806.db2.gz LPFPUSHHMXYHHF-UHFFFAOYSA-N -1 0 300.387 2.429 50 0 DEAARM Cc1oc(C)c(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)c1C(=O)[O-] ZINC000123673532 402140761 /nfs/dbraw/zinc/14/07/61/402140761.db2.gz ZNVJIKUYMBHUFL-QWRGUYRKSA-N -1 0 313.375 2.015 50 0 DEAARM CN(Cc1cc(-c2ccccn2)no1)Cc1ncccc1C(=O)[O-] ZINC000065372416 402123927 /nfs/dbraw/zinc/12/39/27/402123927.db2.gz MNPQWDYZDWJQFB-UHFFFAOYSA-N -1 0 324.340 2.462 50 0 DEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1ccnc2ccccc21)C(=O)[O-] ZINC000067472716 402160767 /nfs/dbraw/zinc/16/07/67/402160767.db2.gz JITNIOGYIWZYLK-OAHLLOKOSA-N -1 0 324.340 2.130 50 0 DEAARM O=C([O-])c1cccnc1CN1CCc2[nH]nc(C3CCC3)c2C1 ZINC000067654890 402166634 /nfs/dbraw/zinc/16/66/34/402166634.db2.gz AFYUVYLFADDRFT-UHFFFAOYSA-N -1 0 312.373 2.329 50 0 DEAARM Cc1noc(C)c1CN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000069492033 402227228 /nfs/dbraw/zinc/22/72/28/402227228.db2.gz YRFSBKFBUYZEIK-BBRMVZONSA-N -1 0 314.341 2.466 50 0 DEAARM Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C1(C(=O)[O-])CC1 ZINC000154840412 402235332 /nfs/dbraw/zinc/23/53/32/402235332.db2.gz USWRXRSPUKSQMJ-UHFFFAOYSA-N -1 0 318.373 2.184 50 0 DEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2occc(=O)c2c1 ZINC000071288360 402272105 /nfs/dbraw/zinc/27/21/05/402272105.db2.gz JUEVJDCTZPFJQY-CHWSQXEVSA-N -1 0 301.298 2.088 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)NCc1ccccc1-n1ccnc1 ZINC000071825416 402283482 /nfs/dbraw/zinc/28/34/82/402283482.db2.gz YDLRVDKCKXNNKX-UHFFFAOYSA-N -1 0 315.373 2.380 50 0 DEAARM Cc1nc2ccccc2n1CCC(=O)N[C@H](CC(=O)[O-])C(C)C ZINC000223718722 402312212 /nfs/dbraw/zinc/31/22/12/402312212.db2.gz LJMMSBHQNBRQGG-CQSZACIVSA-N -1 0 317.389 2.350 50 0 DEAARM COC(=O)c1cnccc1[N-]S(=O)(=O)c1ccc(C)c(C)c1 ZINC000225528776 402320471 /nfs/dbraw/zinc/32/04/71/402320471.db2.gz NQSHJIMUGNHCEO-UHFFFAOYSA-N -1 0 320.370 2.286 50 0 DEAARM COc1ccc(NC(=O)NCC(=O)[O-])cc1Cc1ccccc1 ZINC000225565370 402321041 /nfs/dbraw/zinc/32/10/41/402321041.db2.gz HIRZTEZRQYTRRA-UHFFFAOYSA-N -1 0 314.341 2.492 50 0 DEAARM CC(C)(C)c1ccccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000236748171 402380210 /nfs/dbraw/zinc/38/02/10/402380210.db2.gz ROQVYRXQHOISKF-GFCCVEGCSA-N -1 0 305.374 2.300 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000237955505 402427939 /nfs/dbraw/zinc/42/79/39/402427939.db2.gz TYTMNSAUYHAIOZ-JTQLQIEISA-N -1 0 313.300 2.057 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCc1nc(C2CC2)no1 ZINC000237982936 402430011 /nfs/dbraw/zinc/43/00/11/402430011.db2.gz MEZIFIRPCWEPNH-GFCCVEGCSA-N -1 0 321.377 2.126 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1Cc2cccc(F)c2O1 ZINC000237991019 402430582 /nfs/dbraw/zinc/43/05/82/402430582.db2.gz VMDUDZIUHIKAAM-TZMCWYRMSA-N -1 0 321.348 2.375 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000238103645 402437733 /nfs/dbraw/zinc/43/77/33/402437733.db2.gz RJIHUKOKCJVZMD-JTQLQIEISA-N -1 0 319.748 2.072 50 0 DEAARM CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000177808387 402438344 /nfs/dbraw/zinc/43/83/44/402438344.db2.gz FCQLWQLCECDKBI-KGLIPLIRSA-N -1 0 318.373 2.200 50 0 DEAARM O=C([O-])C1(NC(=O)c2cc(Br)ccc2F)CCC1 ZINC000164853815 402469585 /nfs/dbraw/zinc/46/95/85/402469585.db2.gz IMANKMRYSQXNAM-UHFFFAOYSA-N -1 0 316.126 2.325 50 0 DEAARM CC1CCC(NC(=O)c2ccnc(C3CC3)n2)(C(=O)[O-])CC1 ZINC000170066576 402502840 /nfs/dbraw/zinc/50/28/40/402502840.db2.gz HTOHQUIPZGBVCS-UHFFFAOYSA-N -1 0 303.362 2.117 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000261933061 402719427 /nfs/dbraw/zinc/71/94/27/402719427.db2.gz ZCSGXNHRRWAATD-SNVBAGLBSA-N -1 0 319.748 2.072 50 0 DEAARM CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@H](C)Cc1ccsc1 ZINC000262809160 402733487 /nfs/dbraw/zinc/73/34/87/402733487.db2.gz AYKMUZNEPBOGOO-SNVBAGLBSA-N -1 0 319.386 2.330 50 0 DEAARM Cc1nc(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c(C)s1 ZINC000262832063 402734982 /nfs/dbraw/zinc/73/49/82/402734982.db2.gz XVLOYURWKKEAOG-LBPRGKRZSA-N -1 0 304.371 2.358 50 0 DEAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000263065829 402742748 /nfs/dbraw/zinc/74/27/48/402742748.db2.gz QXPOQIOKXDONTI-MRXNPFEDSA-N -1 0 309.362 2.275 50 0 DEAARM C[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CC[C@@H]1C(=O)[O-] ZINC000263147775 402745564 /nfs/dbraw/zinc/74/55/64/402745564.db2.gz YXIJZZIJFXUGAV-ZJUUUORDSA-N -1 0 304.321 2.490 50 0 DEAARM Cc1cccc([C@H](NC(=O)[C@H]2CCO[C@H](C)C2)C(=O)[O-])c1C ZINC000263165961 402746591 /nfs/dbraw/zinc/74/65/91/402746591.db2.gz VUVULKXHUZLLIO-ZLDLUXBVSA-N -1 0 305.374 2.360 50 0 DEAARM COc1ccc(-c2nnc(N(C)C[C@@H](C)C(=O)[O-])s2)cc1 ZINC000263241910 402749479 /nfs/dbraw/zinc/74/94/79/402749479.db2.gz RTFFNTQGQHTNKE-SECBINFHSA-N -1 0 307.375 2.371 50 0 DEAARM Cc1ccc(F)c(CCNC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000263408678 402766684 /nfs/dbraw/zinc/76/66/84/402766684.db2.gz UIEMICJNQIPOOE-UHFFFAOYSA-N -1 0 308.353 2.183 50 0 DEAARM CCOc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000299752633 286568273 /nfs/dbraw/zinc/56/82/73/286568273.db2.gz UUPRMCMCJRBBRY-ZNMIVQPWSA-N -1 0 303.358 2.470 50 0 DEAARM CCCN(Cc1nccn1C)C(=O)c1ccccc1C(=O)[O-] ZINC000426495540 405363781 /nfs/dbraw/zinc/36/37/81/405363781.db2.gz AIPYSCWYYDJNIM-UHFFFAOYSA-N -1 0 301.346 2.171 50 0 DEAARM CC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@@H]1c1ccccc1 ZINC000074828122 287179117 /nfs/dbraw/zinc/17/91/17/287179117.db2.gz FCCWPBOUOBHFNP-YPMHNXCESA-N -1 0 300.362 2.166 50 0 DEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)c(C)c1 ZINC000069674935 418487861 /nfs/dbraw/zinc/48/78/61/418487861.db2.gz BRFOQZMOSLXVPC-UHFFFAOYSA-N -1 0 320.370 2.286 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2sccc2-c2ccccc2)CCO1 ZINC000299745491 229386513 /nfs/dbraw/zinc/38/65/13/229386513.db2.gz ZOHSRTAGSHXXDB-ZDUSSCGKSA-N -1 0 317.366 2.341 50 0 DEAARM Cc1nn(C)c(Cl)c1/C=C\C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000103510967 424848658 /nfs/dbraw/zinc/84/86/58/424848658.db2.gz VPULTWFNWJAFCW-JMEBYUIHSA-N -1 0 313.785 2.011 50 0 DEAARM CC(C)(C)c1cc(C(=O)Nc2ccn(C(C)(C)C(=O)[O-])n2)no1 ZINC000659204735 425547427 /nfs/dbraw/zinc/54/74/27/425547427.db2.gz ZQEAPGJYMMMRPX-UHFFFAOYSA-N -1 0 320.349 2.241 50 0 DEAARM COC[C@](C)(CC(=O)[O-])NC(=O)c1cc2cccc(C)c2o1 ZINC000095989829 293243788 /nfs/dbraw/zinc/24/37/88/293243788.db2.gz TZLLEFFGWLYUCY-INIZCTEOSA-N -1 0 305.330 2.351 50 0 DEAARM C[C@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 ZINC000237444876 298216634 /nfs/dbraw/zinc/21/66/34/298216634.db2.gz HBWAUTZMHGHSNH-BXKDBHETSA-N -1 0 314.179 2.296 50 0 DEAARM Cc1cc(C)c(C)c(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c1C ZINC000000811631 301175035 /nfs/dbraw/zinc/17/50/35/301175035.db2.gz DFFZRBIPGBTBHG-ZDUSSCGKSA-N -1 0 311.403 2.158 50 0 DEAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2cccc(NC(N)=O)c2)c1 ZINC000055580790 301609488 /nfs/dbraw/zinc/60/94/88/301609488.db2.gz SZCVLCYHRZCBJE-UHFFFAOYSA-N -1 0 323.349 2.426 50 0 DEAARM Cc1cccc(/C=C\C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000492158248 301936901 /nfs/dbraw/zinc/93/69/01/301936901.db2.gz WHTVJUOKRAMJKS-WAYWQWQTSA-N -1 0 303.358 2.100 50 0 DEAARM Cc1c(C[S@](C)=O)cccc1NC(=O)c1ncccc1[O-] ZINC000127318529 337383011 /nfs/dbraw/zinc/38/30/11/337383011.db2.gz JOWRAJWMJPRUMX-OAQYLSRUSA-N -1 0 304.371 2.226 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000299749324 534223952 /nfs/dbraw/zinc/22/39/52/534223952.db2.gz JYASOQOVWNWGHH-QPSCCSFWSA-N -1 0 303.358 2.052 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnn(-c3cccc(Cl)c3)c2)C1 ZINC000299744253 534523579 /nfs/dbraw/zinc/52/35/79/534523579.db2.gz RJIHUKOKCJVZMD-SNVBAGLBSA-N -1 0 319.748 2.072 50 0 DEAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1cc2cc(C)ccn2n1 ZINC000426399257 528765637 /nfs/dbraw/zinc/76/56/37/528765637.db2.gz QAJGBDHCWWJBIM-LBPRGKRZSA-N -1 0 303.362 2.406 50 0 DEAARM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)c1ccco1 ZINC000252484630 563915911 /nfs/dbraw/zinc/91/59/11/563915911.db2.gz GBTJVHLXWDSGBO-UHFFFAOYSA-N -1 0 309.343 2.024 50 0 DEAARM C/C(=C\c1ccc(F)cc1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000584908395 601287496 /nfs/dbraw/zinc/28/74/96/601287496.db2.gz SFAITVPFHRUXMP-ZRDIBKRKSA-N -1 0 321.348 2.321 50 0 DEAARM COc1cccc2c1CC[C@@]2(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000585164341 635718103 /nfs/dbraw/zinc/71/81/03/635718103.db2.gz ZUYKNUHAOCTFCM-INIZCTEOSA-N -1 0 307.346 2.446 50 0 DEAARM COc1ccc(/C=C\C(=O)N[C@H](CCSC)C(=O)[O-])cc1 ZINC000005981915 683834606 /nfs/dbraw/zinc/83/46/06/683834606.db2.gz ARVMHKTZMCUMDI-DMTLFAOVSA-N -1 0 309.387 2.031 50 0 DEAARM O=C([O-])/C=C\C(=O)Nc1cccc(NC(=O)Cc2ccccc2)c1 ZINC000032645636 683878193 /nfs/dbraw/zinc/87/81/93/683878193.db2.gz QZLDJSBGYCTNCU-KTKRTIGZSA-N -1 0 324.336 2.447 50 0 DEAARM Cc1cc(C(=O)N[C@@H](C)c2nnn[n-]2)c2ccc(C)c(C)c2n1 ZINC000077504962 683952506 /nfs/dbraw/zinc/95/25/06/683952506.db2.gz NPQYGKNETIMQAJ-NSHDSACASA-N -1 0 310.361 2.164 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccccn1 ZINC000097017930 684054982 /nfs/dbraw/zinc/05/49/82/684054982.db2.gz GRVXYFOMHYRJJM-ROJDOSBLSA-N -1 0 308.337 2.133 50 0 DEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)nc(C)c2)C1 ZINC000219607147 789685742 /nfs/dbraw/zinc/68/57/42/789685742.db2.gz AIWMHHSHNFQZQY-QGZVFWFLSA-N -1 0 320.389 2.042 50 0 DEAARM C[C@H]1CCC(=O)N1c1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1 ZINC000952964278 792812391 /nfs/dbraw/zinc/81/23/91/792812391.db2.gz PBZOKLRSAAKHNM-JTQLQIEISA-N -1 0 302.330 2.005 50 0 DEAARM Cc1cc(C(=O)[O-])nc(N2CCC[C@H]2c2nc(C(C)C)no2)n1 ZINC001529153014 1070884013 /nfs/dbraw/zinc/88/40/13/1070884013.db2.gz OWYFELBKBUGXCJ-NSHDSACASA-N -1 0 317.349 2.331 50 0 DEAARM CCCn1cc(C(=O)NCc2cccc(C(=O)[O-])c2)c(C)n1 ZINC000095523699 185377814 /nfs/dbraw/zinc/37/78/14/185377814.db2.gz VJAJBJAIUKJCHN-UHFFFAOYSA-N -1 0 301.346 2.230 50 0 DEAARM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)CC(=O)[O-] ZINC000095425019 185361671 /nfs/dbraw/zinc/36/16/71/185361671.db2.gz NCUDCHCCNNQQIR-SNVBAGLBSA-N -1 0 302.330 2.172 50 0 DEAARM Cc1ccc2cc(C(=O)N(CC(=O)[O-])C3CCOCC3)[nH]c2c1 ZINC000237886811 282381166 /nfs/dbraw/zinc/38/11/66/282381166.db2.gz FFCXQPYEFRRWEY-UHFFFAOYSA-N -1 0 316.357 2.182 50 0 DEAARM C[C@@H](CCC(=O)[O-])NC(=O)c1sccc1Br ZINC000069837575 190826161 /nfs/dbraw/zinc/82/61/61/190826161.db2.gz RDEDHGFYEMAVLP-LURJTMIESA-N -1 0 306.181 2.494 50 0 DEAARM CC(C)NC(=O)c1cccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071284770 190952759 /nfs/dbraw/zinc/95/27/59/190952759.db2.gz CLBWDIBTXNZZHX-CHWSQXEVSA-N -1 0 318.373 2.120 50 0 DEAARM COc1ccc(CN(C)S(=O)(=O)c2ccccc2[O-])cc1 ZINC000211879053 539725284 /nfs/dbraw/zinc/72/52/84/539725284.db2.gz ZETMITXAMLYTET-UHFFFAOYSA-N -1 0 307.371 2.222 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1cccc(Br)c1 ZINC000147968499 186042366 /nfs/dbraw/zinc/04/23/66/186042366.db2.gz VXMYYYBZPYATJJ-WHGOUJPWSA-N -1 0 312.163 2.347 50 0 DEAARM CCOc1ccc(NC(=O)[C@@H](CC(=O)[O-])[C@H]2CCCO2)cc1 ZINC000000141419 180706222 /nfs/dbraw/zinc/70/62/22/180706222.db2.gz NUOVTMVEJZEPSN-UONOGXRCSA-N -1 0 307.346 2.294 50 0 DEAARM CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000003326930 181006127 /nfs/dbraw/zinc/00/61/27/181006127.db2.gz GBZDRKWTCYAPAW-UHFFFAOYSA-N -1 0 319.338 2.388 50 0 DEAARM CC1=CC[C@@H](C(=O)[O-])[C@@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000003640375 181043478 /nfs/dbraw/zinc/04/34/78/181043478.db2.gz RRJNVSTZJCFTLZ-OLZOCXBDSA-N -1 0 317.341 2.089 50 0 DEAARM COC(Cn1c(=O)c2ccc(Cl)cc2[n-]c1=S)OC ZINC000000425257 353989740 /nfs/dbraw/zinc/98/97/40/353989740.db2.gz LEWXGJXPPWCWOU-UHFFFAOYSA-N -1 0 300.767 2.331 50 0 DEAARM Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCCCC(=O)[O-] ZINC000003887539 181052756 /nfs/dbraw/zinc/05/27/56/181052756.db2.gz XUNXKZAKYDYDSX-UHFFFAOYSA-N -1 0 313.419 2.436 50 0 DEAARM CC1(C)[C@@]2(C(=O)N3CCC[C@H](C(=O)[O-])C3)CC[C@]1(C)C(=O)C2 ZINC000004045389 181066416 /nfs/dbraw/zinc/06/64/16/181066416.db2.gz YOFGYQIZDUGKMQ-JECHBYEQSA-N -1 0 307.390 2.095 50 0 biogenic DEAARM O=C([O-])c1cc(I)ccc1OCCF ZINC000039175626 354168157 /nfs/dbraw/zinc/16/81/57/354168157.db2.gz PJPPFIGQECKBEH-UHFFFAOYSA-N -1 0 310.062 2.338 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000004155831 181079651 /nfs/dbraw/zinc/07/96/51/181079651.db2.gz NUTITIYKYJGJGB-BVIHXZOGSA-N -1 0 316.357 2.330 50 0 DEAARM O=C([O-])c1cnc(NCc2cccnc2)nc1-c1ccncc1 ZINC000169751177 355980332 /nfs/dbraw/zinc/98/03/32/355980332.db2.gz MFKJYWJWCSNSLF-UHFFFAOYSA-N -1 0 307.313 2.244 50 0 DEAARM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000192261524 356220840 /nfs/dbraw/zinc/22/08/40/356220840.db2.gz LWXZWOPOCYZSMY-MRVPVSSYSA-N -1 0 324.324 2.342 50 0 DEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@@H]1CC12CCOCC2 ZINC000237040202 202132071 /nfs/dbraw/zinc/13/20/71/202132071.db2.gz XSOYZOYIYZUVOQ-AWEZNQCLSA-N -1 0 303.358 2.160 50 0 DEAARM COc1ccc(CCCCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000237204622 202189257 /nfs/dbraw/zinc/18/92/57/202189257.db2.gz GKGVYSFWDOXPGK-HNNXBMFYSA-N -1 0 305.374 2.484 50 0 DEAARM COc1ccc(/C(C)=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237334557 202235903 /nfs/dbraw/zinc/23/59/03/202235903.db2.gz MMUHJKNIDBIMHK-JICACKBISA-N -1 0 303.358 2.422 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 ZINC000237643764 202316093 /nfs/dbraw/zinc/31/60/93/202316093.db2.gz MGYYHHHPWJSZAB-KRWDZBQOSA-N -1 0 314.341 2.207 50 0 DEAARM Cc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000237658533 202319926 /nfs/dbraw/zinc/31/99/26/202319926.db2.gz SBCBXGJIQSEODA-CQSZACIVSA-N -1 0 315.325 2.500 50 0 DEAARM Cc1ccc(CCC(=O)N(CC(=O)[O-])C2CCOCC2)c(C)c1 ZINC000237674903 202325084 /nfs/dbraw/zinc/32/50/84/202325084.db2.gz BEDQMHPZUHGLCO-UHFFFAOYSA-N -1 0 319.401 2.328 50 0 DEAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)cnn1-c1ccccc1C ZINC000237735741 202342518 /nfs/dbraw/zinc/34/25/18/202342518.db2.gz WTHNBQFVYWBYPV-UHFFFAOYSA-N -1 0 313.357 2.178 50 0 DEAARM COc1ccc(/C(C)=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000606441838 361008275 /nfs/dbraw/zinc/00/82/75/361008275.db2.gz MMUHJKNIDBIMHK-XSLBHYSZSA-N -1 0 303.358 2.422 50 0 DEAARM CCn1ncc(Cl)c1C(=O)N1NC(C)=C[C@@]1(O)C(F)(F)F ZINC000006490070 181345064 /nfs/dbraw/zinc/34/50/64/181345064.db2.gz MPJSLPGYSZMRSO-SNVBAGLBSA-N -1 0 324.690 2.029 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000013260799 304109807 /nfs/dbraw/zinc/10/98/07/304109807.db2.gz KOPVNRDADVWBHT-ZYHUDNBSSA-N -1 0 323.776 2.214 50 0 DEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(F)c(Cl)c1 ZINC000006700110 181373127 /nfs/dbraw/zinc/37/31/27/181373127.db2.gz JJHKQUOMSZALQU-UHFFFAOYSA-N -1 0 303.746 2.322 50 0 DEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000091593906 193076896 /nfs/dbraw/zinc/07/68/96/193076896.db2.gz RCFWEFFNQBOWKF-INIZCTEOSA-N -1 0 309.362 2.240 50 0 DEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000088373596 304135421 /nfs/dbraw/zinc/13/54/21/304135421.db2.gz GZLWNAJMKLKXPO-JTQLQIEISA-N -1 0 322.119 2.058 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000362482200 304139560 /nfs/dbraw/zinc/13/95/60/304139560.db2.gz ATUYATPEVXIMOF-QWHCGFSZSA-N -1 0 323.776 2.183 50 0 DEAARM Cc1[nH]c(=O)c(C(=O)N[C@H](CC(=O)[O-])CC(C)C)c(C)c1C ZINC000253537273 202898461 /nfs/dbraw/zinc/89/84/61/202898461.db2.gz ISGNCQDAHFRAET-LBPRGKRZSA-N -1 0 308.378 2.332 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1noc2c1CCCC2 ZINC000252551367 304142855 /nfs/dbraw/zinc/14/28/55/304142855.db2.gz UDFSDXUHOFKILU-DRZSPHRISA-N -1 0 318.373 2.411 50 0 DEAARM CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262627122 203357307 /nfs/dbraw/zinc/35/73/07/203357307.db2.gz NUEBCEOLTSHEQS-UWVGGRQHSA-N -1 0 317.263 2.264 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000268952408 304152637 /nfs/dbraw/zinc/15/26/37/304152637.db2.gz ROBFSYQVQWMJME-DOTOQJQBSA-N -1 0 323.348 2.028 50 0 DEAARM O=C([O-])[C@@H]1CCC[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC000095991874 193482476 /nfs/dbraw/zinc/48/24/76/193482476.db2.gz UKZNOGIBWCTPES-ZJUUUORDSA-N -1 0 321.764 2.361 50 0 DEAARM C[C@H](CCc1cccn1C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000096479893 193663446 /nfs/dbraw/zinc/66/34/46/193663446.db2.gz RYSNDEZQSRKNGQ-GFCCVEGCSA-N -1 0 300.358 2.474 50 0 DEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000261636266 304162792 /nfs/dbraw/zinc/16/27/92/304162792.db2.gz DORFJKLRCWWLTB-SJORKVTESA-N -1 0 323.348 2.201 50 0 DEAARM Cc1oc2ncn(Cc3cccc(F)c3)c(=O)c2c1C(=O)[O-] ZINC000013056606 181825333 /nfs/dbraw/zinc/82/53/33/181825333.db2.gz ZGIYEUYPQCOMFV-UHFFFAOYSA-N -1 0 302.261 2.184 50 0 DEAARM CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000013363126 181845906 /nfs/dbraw/zinc/84/59/06/181845906.db2.gz QBIOSHJUVTXKEF-UHFFFAOYSA-N -1 0 315.347 2.411 50 0 DEAARM CCNC(=O)c1ccc(NC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000013631387 181870332 /nfs/dbraw/zinc/87/03/32/181870332.db2.gz WCNJXLKRZSMMEF-UHFFFAOYSA-N -1 0 312.325 2.387 50 0 DEAARM COC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000017031919 182069898 /nfs/dbraw/zinc/06/98/98/182069898.db2.gz JCLSTHHGAFIXJJ-DTWKUNHWSA-N -1 0 309.343 2.140 50 0 DEAARM O=C([O-])c1cccc(-n2nc([C@H]3CCOC3)nc2-c2cc[nH]c2)c1 ZINC000097729618 193751645 /nfs/dbraw/zinc/75/16/45/193751645.db2.gz IEIAAEYFPJDSNF-ZDUSSCGKSA-N -1 0 324.340 2.465 50 0 DEAARM CC[C@H](NC(=O)c1nn(C)cc1C(=O)[O-])c1ccc(C)cc1 ZINC000020614569 182238361 /nfs/dbraw/zinc/23/83/61/182238361.db2.gz SLJRTTDDCYLWRO-ZDUSSCGKSA-N -1 0 301.346 2.308 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc3c(c2)CCC3)c[nH]1 ZINC000021795225 182289757 /nfs/dbraw/zinc/28/97/57/182289757.db2.gz OMGVKGXTGVSURB-UHFFFAOYSA-N -1 0 306.343 2.002 50 0 DEAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1coc(-c2ccccc2)n1 ZINC000141358705 304189343 /nfs/dbraw/zinc/18/93/43/304189343.db2.gz ACTLJEZHXAUXIN-RYUDHWBXSA-N -1 0 300.314 2.325 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2ccc3[nH]c(C(F)F)nc3c2)CC1 ZINC000531995704 284638124 /nfs/dbraw/zinc/63/81/24/284638124.db2.gz GIYWRCRSRVQRKU-UHFFFAOYSA-N -1 0 323.299 2.437 50 0 DEAARM O=C([O-])CSc1cc(C(F)(F)F)cc(SCCO)n1 ZINC000043179055 183342966 /nfs/dbraw/zinc/34/29/66/183342966.db2.gz XQOXACYAVWRULZ-UHFFFAOYSA-N -1 0 313.322 2.362 50 0 DEAARM O=C([O-])[C@H]1c2[nH]cnc2CCN1Cc1coc(-c2ccccc2)n1 ZINC000244719137 304213005 /nfs/dbraw/zinc/21/30/05/304213005.db2.gz LXTIDDGDVQDEAB-OAHLLOKOSA-N -1 0 324.340 2.249 50 0 DEAARM O=C([O-])CCc1nnc2ccc(-c3ccc(Cl)cc3)nn21 ZINC000058021817 184068661 /nfs/dbraw/zinc/06/86/61/184068661.db2.gz TZNSYJFIJRIKFB-UHFFFAOYSA-N -1 0 302.721 2.462 50 0 DEAARM CCCNC(=O)[C@@H](C)Sc1nc2ccc(F)cc2c(=O)[nH]1 ZINC000058432854 184117756 /nfs/dbraw/zinc/11/77/56/184117756.db2.gz INQFTPFNSIHZKN-MRVPVSSYSA-N -1 0 309.366 2.481 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000062118448 184206848 /nfs/dbraw/zinc/20/68/48/184206848.db2.gz SYADWPXYFHOPBJ-SECBINFHSA-N -1 0 302.157 2.469 50 0 DEAARM CCc1nnc2c(S(=O)(=O)[N-]c3ccc(C)cc3)cccn12 ZINC000062592002 184244185 /nfs/dbraw/zinc/24/41/85/184244185.db2.gz QDSSUTQGUZFYAH-UHFFFAOYSA-N -1 0 316.386 2.401 50 0 DEAARM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NC1CCCC1 ZINC000064479630 184297903 /nfs/dbraw/zinc/29/79/03/184297903.db2.gz CVNNFBPLNCSLMC-UHFFFAOYSA-N -1 0 316.810 2.384 50 0 DEAARM CCc1ccc(NC(=O)c2c([O-])c3cccnc3[nH]c2=O)cc1 ZINC000065249526 184318561 /nfs/dbraw/zinc/31/85/61/184318561.db2.gz ITGOEGUOCQGUCR-UHFFFAOYSA-N -1 0 309.325 2.443 50 0 DEAARM O=C([O-])c1ccc(N2CCO[C@@H](c3ccc(F)cc3)C2)nc1 ZINC000071747360 304246826 /nfs/dbraw/zinc/24/68/26/304246826.db2.gz WRZLRVWVRVQDTR-CQSZACIVSA-N -1 0 302.305 2.497 50 0 DEAARM O=C([O-])c1ccc(N2CNC(c3ccccc3)=NC2=S)cc1 ZINC000002686576 304246966 /nfs/dbraw/zinc/24/69/66/304246966.db2.gz MTDXMIVZUGIUCN-UHFFFAOYSA-N -1 0 311.366 2.484 50 0 DEAARM O=C([O-])c1ccc([C@H]2CCN(C(=O)C3CCOCC3)C2)cc1 ZINC000072135154 304251165 /nfs/dbraw/zinc/25/11/65/304251165.db2.gz NDYBSJVEYKEPDW-HNNXBMFYSA-N -1 0 303.358 2.127 50 0 DEAARM O=C([O-])c1ccc2c(c1)C(=O)N(c1ccc(Cl)cn1)C2=O ZINC000003902615 304251785 /nfs/dbraw/zinc/25/17/85/304251785.db2.gz OPRMPNAELVZZKQ-UHFFFAOYSA-N -1 0 302.673 2.234 50 0 DEAARM CCc1nc(=NCCc2ccccc2N2CCOCC2)s[n-]1 ZINC000521398362 257234881 /nfs/dbraw/zinc/23/48/81/257234881.db2.gz ANAIPLQUKRSJKL-UHFFFAOYSA-N -1 0 318.446 2.014 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000362482194 133233007 /nfs/dbraw/zinc/23/30/07/133233007.db2.gz ATUYATPEVXIMOF-CHWSQXEVSA-N -1 0 323.776 2.183 50 0 DEAARM CC[C@@](CNC(=O)[C@@H]1CCCCO1)(C(=O)[O-])c1ccccc1 ZINC000262955047 145313501 /nfs/dbraw/zinc/31/35/01/145313501.db2.gz INRWNKRGAORNCC-YOEHRIQHSA-N -1 0 305.374 2.104 50 0 DEAARM Cc1noc(C)c1CC(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC000263053219 145321771 /nfs/dbraw/zinc/32/17/71/145321771.db2.gz AFIZFPSABSPTAU-UHFFFAOYSA-N -1 0 306.293 2.239 50 0 DEAARM CC1(C)[C@@]2(C(=O)N3CCC(C(=O)[O-])CC3)CC[C@]1(C)C(=O)C2 ZINC000004228223 401726325 /nfs/dbraw/zinc/72/63/25/401726325.db2.gz YNEJRSNLPOMFNN-SJORKVTESA-N -1 0 307.390 2.095 50 0 DEAARM C[C@H]1CCc2c(sc3c2c(=O)n(C)c2n[n-]c(=S)n32)C1 ZINC000005954839 401731024 /nfs/dbraw/zinc/73/10/24/401731024.db2.gz OOXBWMWBLYNHSA-LURJTMIESA-N -1 0 306.416 2.430 50 0 DEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cccc(O)c2)c1 ZINC000006230213 401731676 /nfs/dbraw/zinc/73/16/76/401731676.db2.gz GNKCUSJPICBIKI-UHFFFAOYSA-N -1 0 309.343 2.210 50 0 DEAARM O=C([O-])[C@@H]1CS[C@H](c2cc(F)ccc2Br)N1 ZINC000000076439 401687764 /nfs/dbraw/zinc/68/77/64/401687764.db2.gz UAVIBZFBXKULRR-DTWKUNHWSA-N -1 0 306.156 2.376 50 0 DEAARM COc1cccc(-n2c(CN3CCSCC3)n[n-]c2=S)c1 ZINC000000439450 401698295 /nfs/dbraw/zinc/69/82/95/401698295.db2.gz XYQTURUZLMTLRO-UHFFFAOYSA-N -1 0 322.459 2.487 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(-c3ccno3)cc2)cn1 ZINC000001432199 401707871 /nfs/dbraw/zinc/70/78/71/401707871.db2.gz KVKKVVNEBIGIHI-UHFFFAOYSA-N -1 0 318.358 2.359 50 0 DEAARM C[C@H](NS(=O)(=O)c1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000001760395 401710590 /nfs/dbraw/zinc/71/05/90/401710590.db2.gz KNUYAGSTPJYRSY-NSHDSACASA-N -1 0 305.355 2.424 50 0 DEAARM CCOCCCn1c(=O)c2ccc(C(=O)OC)cc2[n-]c1=S ZINC000002438769 401713617 /nfs/dbraw/zinc/71/36/17/401713617.db2.gz ZHTUYMHANMVVMO-UHFFFAOYSA-N -1 0 322.386 2.272 50 0 DEAARM CCn1cc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C)n1 ZINC000002809642 401719119 /nfs/dbraw/zinc/71/91/19/401719119.db2.gz IJVYRDWVDMMOCE-DRZSPHRISA-N -1 0 307.394 2.280 50 0 DEAARM CCNC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000013254284 401798201 /nfs/dbraw/zinc/79/82/01/401798201.db2.gz YMDCXMYTQSTECG-UHFFFAOYSA-N -1 0 318.373 2.410 50 0 DEAARM CC(C)c1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013263076 401798309 /nfs/dbraw/zinc/79/83/09/401798309.db2.gz QAAHFDIAOPVUER-ZDUSSCGKSA-N -1 0 311.403 2.295 50 0 DEAARM CCCCN1C(=O)C(=Cc2ccc(C(=O)[O-])cc2)NC1=S ZINC000013302843 401798385 /nfs/dbraw/zinc/79/83/85/401798385.db2.gz UOYIEYLJYIYBFS-FMIVXFBMSA-N -1 0 304.371 2.243 50 0 DEAARM O=C([O-])CCNC(=O)N1CCc2c3cc(Cl)ccc3[nH]c2C1 ZINC000013692438 401803539 /nfs/dbraw/zinc/80/35/39/401803539.db2.gz QIYOFGUNNLFVKO-UHFFFAOYSA-N -1 0 321.764 2.364 50 0 biogenic DEAARM CCCn1nc2c(c1C)c(C(F)F)cc(=O)n2CCC(=O)[O-] ZINC000012398341 401784849 /nfs/dbraw/zinc/78/48/49/401784849.db2.gz FYRPAVVJEUNYKU-UHFFFAOYSA-N -1 0 313.304 2.329 50 0 DEAARM CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@@H](C)C2 ZINC000012868084 401792916 /nfs/dbraw/zinc/79/29/16/401792916.db2.gz IOZDSNZITSUTKA-HOTUBEGUSA-N -1 0 321.373 2.443 50 0 DEAARM Cc1c(C)c2cc(Cl)c(OCc3nnn[n-]3)cc2oc1=O ZINC000013115585 401796295 /nfs/dbraw/zinc/79/62/95/401796295.db2.gz CGXYYKKOSODLLJ-UHFFFAOYSA-N -1 0 306.709 2.155 50 0 DEAARM Cc1cc(=O)n2nc(NC(=O)c3cccc(Cl)c3)[n-]c2n1 ZINC000018219970 401821704 /nfs/dbraw/zinc/82/17/04/401821704.db2.gz KVZMUHLYAPAIBH-UHFFFAOYSA-N -1 0 303.709 2.044 50 0 DEAARM Cc1ccc(C(=O)Nc2nn3c([n-]2)nc(C)c(Cl)c3=O)cc1 ZINC000021171302 401825694 /nfs/dbraw/zinc/82/56/94/401825694.db2.gz NYMJLPKDYPRJME-UHFFFAOYSA-N -1 0 317.736 2.352 50 0 DEAARM CNC(=O)c1ccc(C)c(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000027056624 401843225 /nfs/dbraw/zinc/84/32/25/401843225.db2.gz PMZYSFSZTRABAD-UHFFFAOYSA-N -1 0 306.362 2.184 50 0 DEAARM NS(=O)(=O)c1ccc(Sc2ccccc2C(=O)[O-])cc1 ZINC000035348733 401899088 /nfs/dbraw/zinc/89/90/88/401899088.db2.gz MLMDACZFCYASQZ-UHFFFAOYSA-N -1 0 309.368 2.183 50 0 DEAARM Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000036983369 401909535 /nfs/dbraw/zinc/90/95/35/401909535.db2.gz ZKZAAQOSAHCUEV-SNVBAGLBSA-N -1 0 317.794 2.134 50 0 DEAARM CCN(Cc1ccco1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037502276 401914326 /nfs/dbraw/zinc/91/43/26/401914326.db2.gz LUBBHFVGPKCLJF-UHFFFAOYSA-N -1 0 315.372 2.250 50 0 DEAARM O=C([O-])CN(C(=O)c1cc(F)ccc1Br)C1CC1 ZINC000037588412 401915526 /nfs/dbraw/zinc/91/55/26/401915526.db2.gz FQMGWAPXNLDYQY-UHFFFAOYSA-N -1 0 316.126 2.277 50 0 DEAARM CN(Cc1ccccc1Br)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000037827517 401917756 /nfs/dbraw/zinc/91/77/56/401917756.db2.gz FENGJZIONZTOBP-VHSXEESVSA-N -1 0 312.163 2.128 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnc2ccccc2n1 ZINC000089532563 401951505 /nfs/dbraw/zinc/95/15/05/401951505.db2.gz RWYVVEPIIVTTHH-UHFFFAOYSA-N -1 0 304.331 2.035 50 0 DEAARM O=C(Nc1nncs1)c1ccc(Br)cc1[O-] ZINC000044490164 401944206 /nfs/dbraw/zinc/94/42/06/401944206.db2.gz DMOOGTNQGNSXJW-UHFFFAOYSA-N -1 0 300.137 2.259 50 0 DEAARM O=C([O-])CC1(Cn2nnc3ccccc3c2=O)CCCCC1 ZINC000094992965 402023739 /nfs/dbraw/zinc/02/37/39/402023739.db2.gz VWCWFEHRCLHIIT-UHFFFAOYSA-N -1 0 301.346 2.217 50 0 DEAARM Cc1nc(S(=O)(=O)[N-]c2ccnn2C2CCCCC2)c[nH]1 ZINC000095347366 402025830 /nfs/dbraw/zinc/02/58/30/402025830.db2.gz HCUNVSNXIKLFHA-UHFFFAOYSA-N -1 0 309.395 2.221 50 0 DEAARM COCc1cc(CN(C)[C@H](/C=C/c2ccccc2)C(=O)[O-])[nH]n1 ZINC000095367222 402028441 /nfs/dbraw/zinc/02/84/41/402028441.db2.gz ULKMASXQUXZHHF-ROJDOSBLSA-N -1 0 315.373 2.155 50 0 DEAARM CN(Cc1[nH]nc2c1CCCC2)[C@@H](C(=O)[O-])c1ccc(O)cc1 ZINC000095387614 402031968 /nfs/dbraw/zinc/03/19/68/402031968.db2.gz ICTRNMFLSJBPOD-MRXNPFEDSA-N -1 0 315.373 2.252 50 0 DEAARM COc1cc(Cl)c(C)cc1NC(=O)N[C@H](C)c1nnn[n-]1 ZINC000095531622 402033921 /nfs/dbraw/zinc/03/39/21/402033921.db2.gz BUPRFWFWLQYDNS-SSDOTTSWSA-N -1 0 310.745 2.053 50 0 DEAARM C[C@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000095918249 402034561 /nfs/dbraw/zinc/03/45/61/402034561.db2.gz PGOYKDKWLOXKLC-NXEZZACHSA-N -1 0 301.408 2.004 50 0 DEAARM CCCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000095969689 402038662 /nfs/dbraw/zinc/03/86/62/402038662.db2.gz ZICQKLDXHXTLMS-UHTWSYAYSA-N -1 0 321.373 2.382 50 0 DEAARM Cc1nc(N(C)C)nc(C)c1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000096098611 402058395 /nfs/dbraw/zinc/05/83/95/402058395.db2.gz RPGSXVWIUPSAEU-UHFFFAOYSA-N -1 0 324.381 2.099 50 0 DEAARM Cc1nn(C)cc1C(=O)/C=C\c1cccc(O[C@H](C)C(=O)[O-])c1 ZINC000096297149 402076828 /nfs/dbraw/zinc/07/68/28/402076828.db2.gz JBAZTVHISBEAIB-QDZRJHCZSA-N -1 0 314.341 2.477 50 0 DEAARM CCCOC[C@H]1CCN(C(=O)c2ccccc2NCC(=O)[O-])C1 ZINC000055308952 402079441 /nfs/dbraw/zinc/07/94/41/402079441.db2.gz GSCRZRVUVXNLPG-ZDUSSCGKSA-N -1 0 320.389 2.072 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)Cn2ncc3ccccc32)C1 ZINC000097045082 402101936 /nfs/dbraw/zinc/10/19/36/402101936.db2.gz SYQGCXAMFBZOHB-ZDUSSCGKSA-N -1 0 315.373 2.140 50 0 DEAARM O=S(=O)(Cc1cccc(Br)c1)c1ncc[n-]1 ZINC000097047653 402102507 /nfs/dbraw/zinc/10/25/07/402102507.db2.gz OQJJHFPRZMJGFD-UHFFFAOYSA-N -1 0 301.165 2.146 50 0 DEAARM CN(C[C@@H]1CCCCO1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097080082 402104457 /nfs/dbraw/zinc/10/44/57/402104457.db2.gz BDCIWSBMYZGUTL-QMMMGPOBSA-N -1 0 303.280 2.451 50 0 DEAARM CCCS(=O)(=O)[N-]c1ncn(Cc2ccc(Cl)cc2)n1 ZINC000097231432 402118621 /nfs/dbraw/zinc/11/86/21/402118621.db2.gz KAIZREDHYHFJBP-UHFFFAOYSA-N -1 0 314.798 2.132 50 0 DEAARM O=C([O-])c1ccc(N2CCC[C@@H](OCc3cccnc3)C2)nc1 ZINC000096135841 402061634 /nfs/dbraw/zinc/06/16/34/402061634.db2.gz FJPQUGBUTHBRPC-OAHLLOKOSA-N -1 0 313.357 2.360 50 0 DEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cc(C)ccn1 ZINC000064983730 402122587 /nfs/dbraw/zinc/12/25/87/402122587.db2.gz KASCYJRNSQVFPG-UHFFFAOYSA-N -1 0 301.346 2.399 50 0 DEAARM Cc1cnc(C[N-]S(=O)(=O)c2c(F)cccc2Cl)o1 ZINC000097380105 402123790 /nfs/dbraw/zinc/12/37/90/402123790.db2.gz ILEHTVXRWGCODX-UHFFFAOYSA-N -1 0 304.730 2.254 50 0 DEAARM Cc1ccc(-c2nc(Cc3csc(C)n3)n(CC(=O)[O-])n2)o1 ZINC000097402362 402124305 /nfs/dbraw/zinc/12/43/05/402124305.db2.gz UHHOOOYKOMFDKF-UHFFFAOYSA-N -1 0 318.358 2.287 50 0 DEAARM COc1ccc(-c2cc(=O)n3nc(-c4cccnc4)[n-]c3n2)cc1 ZINC000101319613 402144329 /nfs/dbraw/zinc/14/43/29/402144329.db2.gz JUSQVAXGIWWTMJ-UHFFFAOYSA-N -1 0 319.324 2.155 50 0 DEAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3ccc(Cl)cc3F)c2n1 ZINC000067225501 402154858 /nfs/dbraw/zinc/15/48/58/402154858.db2.gz UWVBAIAITNUDTH-UHFFFAOYSA-N -1 0 320.711 2.376 50 0 DEAARM CCO[N-]C(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000022874760 286186578 /nfs/dbraw/zinc/18/65/78/286186578.db2.gz DUZZSEFUHPQGRK-GNFNDJEDSA-N -1 0 322.449 2.411 50 0 DEAARM Cn1c(Cc2c[nH]c3ccccc23)nnc1SCC(=O)[O-] ZINC000067673004 402166989 /nfs/dbraw/zinc/16/69/89/402166989.db2.gz VIOUGNXUALTKQR-UHFFFAOYSA-N -1 0 302.359 2.064 50 0 DEAARM COc1ccc(-n2nc(C)c(CCC(=O)[O-])c2C)cc1CO ZINC000067852477 402175528 /nfs/dbraw/zinc/17/55/28/402175528.db2.gz UWVOUEAFWBMIOP-UHFFFAOYSA-N -1 0 304.346 2.007 50 0 DEAARM COCCOCCNC(=O)c1ccc(Cl)c(Cl)c1[O-] ZINC000069377559 402221405 /nfs/dbraw/zinc/22/14/05/402221405.db2.gz DNGSAMBPFLAYEF-UHFFFAOYSA-N -1 0 308.161 2.092 50 0 DEAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)CCCCC1 ZINC000069947158 402252240 /nfs/dbraw/zinc/25/22/40/402252240.db2.gz XSWLVCSZKOQLQZ-GFCCVEGCSA-N -1 0 316.357 2.016 50 0 DEAARM O=C([O-])c1ccccc1CC(=O)Nc1nnc(C2CC2)s1 ZINC000071287458 402272244 /nfs/dbraw/zinc/27/22/44/402272244.db2.gz WANGTSYSEJGRKB-UHFFFAOYSA-N -1 0 303.343 2.295 50 0 DEAARM COCCN(Cc1ccncc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000216417460 402288757 /nfs/dbraw/zinc/28/87/57/402288757.db2.gz HAUMSXSEVMADSC-UHFFFAOYSA-N -1 0 314.341 2.069 50 0 DEAARM CCCCn1nc(C)c(/C=C\C(=O)N[C@@H](C)C(=O)[O-])c1Cl ZINC000222161114 402305757 /nfs/dbraw/zinc/30/57/57/402305757.db2.gz XXJRSOAYZPVTOI-GFVADAIESA-N -1 0 313.785 2.248 50 0 DEAARM CC(C)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)[nH]n1 ZINC000236683867 402373846 /nfs/dbraw/zinc/37/38/46/402373846.db2.gz XVUDVCOSKNZGDG-SWHYSGLUSA-N -1 0 305.378 2.391 50 0 DEAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000227151037 402331436 /nfs/dbraw/zinc/33/14/36/402331436.db2.gz UXFJCLGFSHHHSF-YGRLFVJLSA-N -1 0 302.330 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/nfs/dbraw/zinc/45/53/18/201455318.db2.gz SPWAOLSOHIWZIB-UHFFFAOYSA-N -1 0 301.346 2.290 50 0 DEAARM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630166109 367510657 /nfs/dbraw/zinc/51/06/57/367510657.db2.gz BNZHJPBMOXKHRI-ZIAGYGMSSA-N -1 0 320.389 2.446 50 0 DEAARM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N(C)c1ccc(OCC(=O)[O-])cc1 ZINC000630188617 367524601 /nfs/dbraw/zinc/52/46/01/367524601.db2.gz YFWUQWYOAMYPHH-AZKPJATDSA-N -1 0 321.373 2.172 50 0 DEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C[C@H]1CCCCO1 ZINC000262050752 203184526 /nfs/dbraw/zinc/18/45/26/203184526.db2.gz CUQUPLVVZUWUDL-CJNGLKHVSA-N -1 0 303.358 2.156 50 0 DEAARM O=C([O-])[C@H]1C[C@H]1C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000262416520 203288050 /nfs/dbraw/zinc/28/80/50/203288050.db2.gz PFKGVQZHRARKIK-SFYZADRCSA-N -1 0 321.226 2.426 50 0 DEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCc1nccs1 ZINC000262479793 203305153 /nfs/dbraw/zinc/30/51/53/203305153.db2.gz DFINFFRVYSTUSL-HNNXBMFYSA-N -1 0 316.382 2.286 50 0 DEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCc1cscn1 ZINC000262526977 203320326 /nfs/dbraw/zinc/32/03/26/203320326.db2.gz NTYWDHIQPHBXTL-OAHLLOKOSA-N -1 0 316.382 2.286 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ncc(F)cc1F ZINC000263433460 203466734 /nfs/dbraw/zinc/46/67/34/203466734.db2.gz NZJDREVXPBRKSR-AXTRIDKLSA-N -1 0 310.300 2.218 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000095969631 193466297 /nfs/dbraw/zinc/46/62/97/193466297.db2.gz BSJYEPCSVKHRAP-NSHDSACASA-N -1 0 323.393 2.156 50 0 DEAARM Cc1cccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC000096476293 193662289 /nfs/dbraw/zinc/66/22/89/193662289.db2.gz SXYQSIDPLBNECB-AWEZNQCLSA-N -1 0 302.305 2.475 50 0 DEAARM COc1ccc(CNC(=O)c2cccc(F)c2)cc1C(=O)[O-] ZINC000013392907 181847784 /nfs/dbraw/zinc/84/77/84/181847784.db2.gz RQKJNEVZMCTRFV-UHFFFAOYSA-N -1 0 303.289 2.463 50 0 DEAARM CNC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1 ZINC000013252363 181839649 /nfs/dbraw/zinc/83/96/49/181839649.db2.gz 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ZINC000036965471 304187669 /nfs/dbraw/zinc/18/76/69/304187669.db2.gz PHPLNUKANPATDN-SECBINFHSA-N -1 0 324.185 2.231 50 0 DEAARM CCn1c2ccccc2c([O-])c(C(=O)NCc2ccccn2)c1=O ZINC000100331669 193798745 /nfs/dbraw/zinc/79/87/45/193798745.db2.gz ARZHJRCNZTWKRS-UHFFFAOYSA-N -1 0 323.352 2.052 50 0 DEAARM Cc1nc(-n2cccc2)sc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000036365019 182820061 /nfs/dbraw/zinc/82/00/61/182820061.db2.gz OLTRUIKCGXZLPD-LLVKDONJSA-N -1 0 319.386 2.179 50 0 DEAARM Cc1nc(C)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000037406827 182888310 /nfs/dbraw/zinc/88/83/10/182888310.db2.gz QLAIQDWBJOLMQO-GFCCVEGCSA-N -1 0 304.371 2.186 50 0 DEAARM CCCc1cc(C(=O)N2C[C@H](OC)C[C@H]2C(=O)[O-])sc1C ZINC000037455057 182895850 /nfs/dbraw/zinc/89/58/50/182895850.db2.gz OTXPNOVQSMNQRC-NEPJUHHUSA-N -1 0 311.403 2.323 50 0 DEAARM O=C([O-])C1CCN(C(=O)CCn2ccc3ccccc32)CC1 ZINC000040288424 183052325 /nfs/dbraw/zinc/05/23/25/183052325.db2.gz JFKUHKPXTDVCNX-UHFFFAOYSA-N -1 0 300.358 2.355 50 0 DEAARM CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000041543127 183201347 /nfs/dbraw/zinc/20/13/47/183201347.db2.gz YZXHMZUGYPDZGL-UHFFFAOYSA-N -1 0 309.318 2.349 50 0 DEAARM CS(=O)(=O)[N-]C(=O)CCc1ccc(-c2ccccc2F)o1 ZINC000042279345 183249526 /nfs/dbraw/zinc/24/95/26/183249526.db2.gz LKHWROQXPVMDIL-UHFFFAOYSA-N -1 0 311.334 2.094 50 0 DEAARM O=C([O-])[C@]1(NC(=O)c2cc(Cl)c(Cl)[nH]2)CCSC1 ZINC000043508549 183367819 /nfs/dbraw/zinc/36/78/19/183367819.db2.gz BYVNHONFDUKKNA-JTQLQIEISA-N -1 0 309.174 2.012 50 0 DEAARM CC[C@@]1(c2ccc(C(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842153 184056408 /nfs/dbraw/zinc/05/64/08/184056408.db2.gz LDRSYGNBBCBDKT-INIZCTEOSA-N -1 0 304.346 2.052 50 0 DEAARM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1Cl ZINC000269027585 207178022 /nfs/dbraw/zinc/17/80/22/207178022.db2.gz LAUAWXHOVJYILI-JATZPVMKSA-N -1 0 323.776 2.445 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(F)cc(F)c1 ZINC000059930732 184142638 /nfs/dbraw/zinc/14/26/38/184142638.db2.gz 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ZINC000269136310 207268572 /nfs/dbraw/zinc/26/85/72/207268572.db2.gz DGNDOMNAURAHTJ-CYBMUJFWSA-N -1 0 321.373 2.177 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnc(-c3ccccc3)s2)C1 ZINC000269211757 207329647 /nfs/dbraw/zinc/32/96/47/207329647.db2.gz WFLLPEKGVIHQIM-LLVKDONJSA-N -1 0 302.355 2.357 50 0 DEAARM CC[C@H](Oc1cccc(C)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000066057198 184385904 /nfs/dbraw/zinc/38/59/04/184385904.db2.gz LGLFADHZGPLCNN-HNNXBMFYSA-N -1 0 305.374 2.476 50 0 DEAARM C[C@H](OCC(F)(F)F)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000299753571 299555062 /nfs/dbraw/zinc/55/50/62/299555062.db2.gz YRFAAUXYPMSRDD-ZDCRXTMVSA-N -1 0 323.311 2.198 50 0 DEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cc(OC)ccc1OC ZINC000006658142 285169336 /nfs/dbraw/zinc/16/93/36/285169336.db2.gz FUNLJWYYZRTVLO-NHYWBVRUSA-N -1 0 307.346 2.088 50 0 DEAARM C[C@@H]1CN(C(=O)c2ccc(F)cc2[O-])CCN1CC(F)(F)F ZINC000156012466 197080171 /nfs/dbraw/zinc/08/01/71/197080171.db2.gz KBGKHHPCAQXAMQ-SECBINFHSA-N -1 0 320.286 2.240 50 0 DEAARM O=C([O-])c1cn2ccc(Cl)c(I)c2n1 ZINC000071788982 304274630 /nfs/dbraw/zinc/27/46/30/304274630.db2.gz OHVUNVWTDIQYQL-UHFFFAOYSA-N -1 0 322.489 2.291 50 0 DEAARM O=C([O-])c1cnc2ccc(I)cc2c1O ZINC000008994874 304279167 /nfs/dbraw/zinc/27/91/67/304279167.db2.gz MPPGVYGQCYVNRZ-UHFFFAOYSA-N -1 0 315.066 2.243 50 0 DEAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000268977082 257256529 /nfs/dbraw/zinc/25/65/29/257256529.db2.gz KFFBYAPTTQMIFE-SNVBAGLBSA-N -1 0 309.705 2.012 50 0 DEAARM Cc1oc(CNC(=O)[C@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000376509931 133298068 /nfs/dbraw/zinc/29/80/68/133298068.db2.gz SXLVJPHOAVFOOX-ZDUSSCGKSA-N -1 0 301.298 2.079 50 0 DEAARM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)c1ccc2ccc(Cl)cc2n1 ZINC000263176839 145333187 /nfs/dbraw/zinc/33/31/87/145333187.db2.gz GQKXRGKDJISNDR-JGZJWPJOSA-N -1 0 304.733 2.481 50 0 DEAARM Cc1c[nH]cc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263205085 145336202 /nfs/dbraw/zinc/33/62/02/145336202.db2.gz ZAIQVSJTUDXCNE-NSHDSACASA-N -1 0 302.330 2.278 50 0 DEAARM Cc1sc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1C ZINC000004646616 401726695 /nfs/dbraw/zinc/72/66/95/401726695.db2.gz JPSOQNVAEXKMTR-ZJUUUORDSA-N -1 0 324.402 2.293 50 0 DEAARM O=C([O-])COc1cccc(NC(=O)COc2ccccc2)c1 ZINC000008189128 401749563 /nfs/dbraw/zinc/74/95/63/401749563.db2.gz NJWDICZRAVRWAI-UHFFFAOYSA-N -1 0 301.298 2.168 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000142789 401688488 /nfs/dbraw/zinc/68/84/88/401688488.db2.gz HICVGWDOEAENSY-ZIAGYGMSSA-N -1 0 304.346 2.475 50 0 DEAARM CCOc1cc(C=O)c(Br)cc1OCC(=O)[O-] ZINC000000336069 401695307 /nfs/dbraw/zinc/69/53/07/401695307.db2.gz OHTAODBDCAKZJM-UHFFFAOYSA-N -1 0 303.108 2.124 50 0 DEAARM CSc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000000364146 401695731 /nfs/dbraw/zinc/69/57/31/401695731.db2.gz HJGQJVPUMUDMHQ-UHFFFAOYSA-N -1 0 301.418 2.369 50 0 DEAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)N1CCCCC1 ZINC000000425342 401697781 /nfs/dbraw/zinc/69/77/81/401697781.db2.gz OLLTUTGMSAXLAU-UHFFFAOYSA-N -1 0 317.414 2.462 50 0 DEAARM O=C([O-])COc1ccc(NC(=O)COc2ccccc2)cc1 ZINC000000470545 401699295 /nfs/dbraw/zinc/69/92/95/401699295.db2.gz LTDKKZPMWAEFDP-UHFFFAOYSA-N -1 0 301.298 2.168 50 0 DEAARM CC1=NN(C(=O)c2cccc(C)c2O)[C@@](O)(c2cccnc2)C1 ZINC000000507332 401699685 /nfs/dbraw/zinc/69/96/85/401699685.db2.gz FBOBZMOEANUMBP-KRWDZBQOSA-N -1 0 311.341 2.163 50 0 DEAARM COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)cc1 ZINC000000581852 401701475 /nfs/dbraw/zinc/70/14/75/401701475.db2.gz GIIXCIUELYTKHR-UHFFFAOYSA-N -1 0 321.354 2.219 50 0 DEAARM Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000001051476 401704087 /nfs/dbraw/zinc/70/40/87/401704087.db2.gz OEALNRVFHXTLLW-UHFFFAOYSA-N -1 0 321.354 2.259 50 0 DEAARM CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000013170425 401797445 /nfs/dbraw/zinc/79/74/45/401797445.db2.gz RTYKDQCLHMQXOA-CYBMUJFWSA-N -1 0 321.373 2.421 50 0 DEAARM CCOc1ccccc1/C=C/C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013171202 401797499 /nfs/dbraw/zinc/79/74/99/401797499.db2.gz LPZMMHBEHUXQOT-HBWSCVEGSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2cc3c(c(Cl)c2)OCO3)CC1 ZINC000013167482 401797577 /nfs/dbraw/zinc/79/75/77/401797577.db2.gz DPJMOHIUZKMKFD-UHFFFAOYSA-N -1 0 311.721 2.006 50 0 DEAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000013340307 401798610 /nfs/dbraw/zinc/79/86/10/401798610.db2.gz IVCHRMCUEZRTIN-UHFFFAOYSA-N -1 0 309.318 2.002 50 0 DEAARM COc1ccccc1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000013392797 401799582 /nfs/dbraw/zinc/79/95/82/401799582.db2.gz UGUBSPMPURQZSX-UHFFFAOYSA-N -1 0 315.325 2.332 50 0 DEAARM O=C([O-])CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccccc1 ZINC000013943403 401805207 /nfs/dbraw/zinc/80/52/07/401805207.db2.gz PYRWBYSQMUEQDG-UHFFFAOYSA-N -1 0 323.345 2.101 50 0 DEAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)Nc1nccs1 ZINC000008909263 401757823 /nfs/dbraw/zinc/75/78/23/401757823.db2.gz ITWBYPFUOFIXJM-UHFFFAOYSA-N -1 0 319.342 2.199 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cccc(F)c1 ZINC000012747095 401790681 /nfs/dbraw/zinc/79/06/81/401790681.db2.gz RBHCWONFIMDQHQ-UHFFFAOYSA-N -1 0 317.345 2.396 50 0 DEAARM O=C([O-])c1ccc(CSCC(=O)NCC(F)(F)F)cc1 ZINC000012772308 401791527 /nfs/dbraw/zinc/79/15/27/401791527.db2.gz UNVKEOLSOZQMFF-UHFFFAOYSA-N -1 0 307.293 2.297 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000012895456 401793218 /nfs/dbraw/zinc/79/32/18/401793218.db2.gz PMCPSETUZFFITH-CYBMUJFWSA-N -1 0 300.358 2.424 50 0 biogenic DEAARM CCc1cccc(C)c1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000020001607 401823256 /nfs/dbraw/zinc/82/32/56/401823256.db2.gz BZCODDGITOUMRZ-UHFFFAOYSA-N -1 0 308.359 2.385 50 0 DEAARM O=c1ccc2cc(S(=O)(=O)[N-]c3ccccc3O)ccc2o1 ZINC000032602007 401880356 /nfs/dbraw/zinc/88/03/56/401880356.db2.gz KASWDJNSADCQPR-UHFFFAOYSA-N -1 0 317.322 2.299 50 0 DEAARM CO[N-]C(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000032848405 401884864 /nfs/dbraw/zinc/88/48/64/401884864.db2.gz ZQIVBTQJTYTUJD-AWEZNQCLSA-N -1 0 306.406 2.416 50 0 DEAARM O=C([O-])CN(CC(=O)NC1CCCCCC1)c1ccccc1 ZINC000034926530 401894690 /nfs/dbraw/zinc/89/46/90/401894690.db2.gz PAHVJWKAAROYGM-UHFFFAOYSA-N -1 0 304.390 2.417 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)c1sc(-n2cccc2)nc1C)C(=O)[O-] ZINC000036359074 401905046 /nfs/dbraw/zinc/90/50/46/401905046.db2.gz NPXICOVRMPLPHB-KOLCDFICSA-N -1 0 321.402 2.471 50 0 DEAARM Cc1cc(Br)ccc1CNC(=O)C1(C(=O)[O-])CC1 ZINC000118995693 401917683 /nfs/dbraw/zinc/91/76/83/401917683.db2.gz XCMDIQFQIOPOKF-UHFFFAOYSA-N -1 0 312.163 2.239 50 0 DEAARM O=C([O-])CCC(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000044903359 401950191 /nfs/dbraw/zinc/95/01/91/401950191.db2.gz KARFXRYLCFLMSA-UHFFFAOYSA-N -1 0 301.346 2.134 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]c2nncs2)c(Cl)cc1F ZINC000095439258 402033463 /nfs/dbraw/zinc/03/34/63/402033463.db2.gz OJLCQNIJQJHWLE-UHFFFAOYSA-N -1 0 307.759 2.440 50 0 DEAARM C[C@@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000095918250 402034445 /nfs/dbraw/zinc/03/44/45/402034445.db2.gz PGOYKDKWLOXKLC-UWVGGRQHSA-N -1 0 301.408 2.004 50 0 DEAARM CC(C)N(Cc1cnn(C)c1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000095956872 402036985 /nfs/dbraw/zinc/03/69/85/402036985.db2.gz USQFSLQWJNASOO-UHFFFAOYSA-N -1 0 301.346 2.169 50 0 DEAARM Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](c4nnn[n-]4)C3)cc2c1C ZINC000095976969 402040242 /nfs/dbraw/zinc/04/02/42/402040242.db2.gz XSYGOJBJUDISQZ-GFCCVEGCSA-N -1 0 324.388 2.318 50 0 DEAARM Cn1cnc2cc(C(=O)[N-]S(=O)(=O)CCC(C)(C)C)ccc21 ZINC000095991799 402043632 /nfs/dbraw/zinc/04/36/32/402043632.db2.gz NOQLSNPUIYXVHT-UHFFFAOYSA-N -1 0 323.418 2.069 50 0 DEAARM Cc1nc([N-]S(=O)(=O)c2cccc(Cl)c2Cl)no1 ZINC000095994087 402044220 /nfs/dbraw/zinc/04/42/20/402044220.db2.gz HBIIXPVMSYDRIN-UHFFFAOYSA-N -1 0 308.146 2.486 50 0 DEAARM CN(CC(=O)[N-]OCc1ccccc1)c1ccc(Cl)cn1 ZINC000053134519 402051369 /nfs/dbraw/zinc/05/13/69/402051369.db2.gz VELIXWCEQTZQCB-UHFFFAOYSA-N -1 0 305.765 2.419 50 0 DEAARM Cc1ccc(CC(=O)N[C@H](C(=O)[O-])c2ccc(F)c(F)c2)cn1 ZINC000097036651 402100641 /nfs/dbraw/zinc/10/06/41/402100641.db2.gz SJQLSHJWNDVVNY-HNNXBMFYSA-N -1 0 320.295 2.153 50 0 DEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)n1 ZINC000097114336 402109487 /nfs/dbraw/zinc/10/94/87/402109487.db2.gz VLTBWRQPIZHDAG-UHFFFAOYSA-N -1 0 313.329 2.481 50 0 DEAARM Cc1nc([C@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)no1 ZINC000097147180 402111882 /nfs/dbraw/zinc/11/18/82/402111882.db2.gz YTLIVOBYPWJRMT-LURJTMIESA-N -1 0 319.745 2.210 50 0 DEAARM CCN(CCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1cccc(C)c1 ZINC000097660414 402129073 /nfs/dbraw/zinc/12/90/73/402129073.db2.gz SFAKIVRAJYBDFI-LSDHHAIUSA-N -1 0 318.417 2.438 50 0 DEAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccncc2)c1=O ZINC000100329630 402140878 /nfs/dbraw/zinc/14/08/78/402140878.db2.gz AVLNERNTAFXDAC-UHFFFAOYSA-N -1 0 309.325 2.374 50 0 DEAARM COc1ccc(NC(=O)Cc2c(C(=O)[O-])c(C)cn2C)cc1 ZINC000064980579 402122715 /nfs/dbraw/zinc/12/27/15/402122715.db2.gz QUUOSLIBEFBIBT-UHFFFAOYSA-N -1 0 302.330 2.222 50 0 DEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1 ZINC000101128283 402143839 /nfs/dbraw/zinc/14/38/39/402143839.db2.gz NTDTUAFZLANFCH-GJZGRUSLSA-N -1 0 306.325 2.493 50 0 DEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1 ZINC000101417307 402144818 /nfs/dbraw/zinc/14/48/18/402144818.db2.gz UCUYULHKBQEMBL-CVEARBPZSA-N -1 0 320.352 2.488 50 0 DEAARM Cc1ccc(N2C(=O)[N-]S(=O)(=O)c3cccnc32)cc1F ZINC000067172415 402153333 /nfs/dbraw/zinc/15/33/33/402153333.db2.gz FLVRHWXELPWKBV-UHFFFAOYSA-N -1 0 307.306 2.284 50 0 DEAARM C[C@@H]1CCCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)C1 ZINC000102856107 402173299 /nfs/dbraw/zinc/17/32/99/402173299.db2.gz FWROXDPGCUBESO-SNVBAGLBSA-N -1 0 317.414 2.094 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(CCCn2ccnc2)[C@@H]1c1ccsc1 ZINC000069632855 402236036 /nfs/dbraw/zinc/23/60/36/402236036.db2.gz TVSNEYZGWQJQCS-TZMCWYRMSA-N -1 0 319.386 2.009 50 0 DEAARM CCC[C@H](CC(=O)[O-])NC(=O)COc1ccccc1OCC ZINC000225522074 402320518 /nfs/dbraw/zinc/32/05/18/402320518.db2.gz PJZRHSBPQCRMJX-GFCCVEGCSA-N -1 0 309.362 2.224 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)n1 ZINC000236662248 402372347 /nfs/dbraw/zinc/37/23/47/402372347.db2.gz KXJFJVHZOTWOBN-NSHDSACASA-N -1 0 323.393 2.013 50 0 DEAARM CC(C)[C@@H](NC(=O)c1ccc(C(=O)[O-])o1)c1nc(C2CC2)no1 ZINC000236662099 402372350 /nfs/dbraw/zinc/37/23/50/402372350.db2.gz HZJRNKDTKWSAIQ-LLVKDONJSA-N -1 0 319.317 2.365 50 0 DEAARM Cc1nc(C)c(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000237684799 402417863 /nfs/dbraw/zinc/41/78/63/402417863.db2.gz LPCCRKCBQXZHPM-CYBMUJFWSA-N -1 0 316.382 2.412 50 0 DEAARM Cc1cc2ccccc2n1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237812147 402422175 /nfs/dbraw/zinc/42/21/75/402422175.db2.gz KADOYDQNSJYWIG-QGZVFWFLSA-N -1 0 300.358 2.273 50 0 DEAARM O=C([O-])C[C@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccs1 ZINC000237970188 402429218 /nfs/dbraw/zinc/42/92/18/402429218.db2.gz VPXDDRDYPJYJHV-WCQYABFASA-N -1 0 317.366 2.384 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2nc3ccccc3s2)C1 ZINC000238095125 402437555 /nfs/dbraw/zinc/43/75/55/402437555.db2.gz OTTVPHWCHVJQAK-PORFMDCZSA-N -1 0 302.355 2.243 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnc(Cc2ccccc2)s1 ZINC000238086605 402437634 /nfs/dbraw/zinc/43/76/34/402437634.db2.gz GEIOESFSCNHJGO-GFCCVEGCSA-N -1 0 316.382 2.423 50 0 DEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)CCc1cscn1 ZINC000170672266 402512553 /nfs/dbraw/zinc/51/25/53/402512553.db2.gz PALYSZAZMATARF-UHFFFAOYSA-N -1 0 304.371 2.433 50 0 DEAARM CCc1nc2cc(N3CCC(C(=O)[O-])CC3)cnc2nc1CC ZINC000169676715 402501654 /nfs/dbraw/zinc/50/16/54/402501654.db2.gz WDWQRWNPLOYHTF-UHFFFAOYSA-N -1 0 314.389 2.451 50 0 DEAARM COc1cnc([N-]S(=O)(=O)c2ccc(Cl)s2)nc1 ZINC000252482923 402654371 /nfs/dbraw/zinc/65/43/71/402654371.db2.gz DQHKEONSKIEPBJ-UHFFFAOYSA-N -1 0 305.768 2.001 50 0 DEAARM CCc1nnc(C)cc1C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000261606369 402714395 /nfs/dbraw/zinc/71/43/95/402714395.db2.gz AJRVUEOEKAXXNC-GLQYFDAESA-N -1 0 317.389 2.205 50 0 DEAARM O=C([O-])CNC(=O)CN(Cc1ccccc1Cl)C1CCCC1 ZINC000253426559 402665892 /nfs/dbraw/zinc/66/58/92/402665892.db2.gz SNLVAOYWFCLUEN-UHFFFAOYSA-N -1 0 324.808 2.285 50 0 DEAARM O=C(NCc1ncccc1O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000253427388 402665983 /nfs/dbraw/zinc/66/59/83/402665983.db2.gz ADVXHBJEIAVJFF-SCLBCKFNSA-N -1 0 310.353 2.144 50 0 DEAARM CCOc1ccc(CN2CC[NH+]([C@H](CC)C(=O)[O-])CC2)cc1 ZINC000191427422 402669282 /nfs/dbraw/zinc/66/92/82/402669282.db2.gz RSKFNOQAZAPYMQ-MRXNPFEDSA-N -1 0 306.406 2.066 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N2CCOC3(CCC3)C2)cc1 ZINC000263507938 402776122 /nfs/dbraw/zinc/77/61/22/402776122.db2.gz BQLKTYJLEQMHRY-UHFFFAOYSA-N -1 0 303.358 2.099 50 0 DEAARM CCC[C@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)[O-] ZINC000195551788 402850841 /nfs/dbraw/zinc/85/08/41/402850841.db2.gz ONXOYVKNEKJUCP-ZDUSSCGKSA-N -1 0 301.346 2.164 50 0 DEAARM Cc1ccc(CC(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000265592568 402931777 /nfs/dbraw/zinc/93/17/77/402931777.db2.gz PUVABTYZQFNHRG-KKUMJFAQSA-N -1 0 302.374 2.177 50 0 DEAARM O=C([O-])C[C@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O ZINC000299791207 403577100 /nfs/dbraw/zinc/57/71/00/403577100.db2.gz DLAWFSGLFDQWAD-KRWDZBQOSA-N -1 0 319.332 2.240 50 0 DEAARM O=C([O-])C1(NC(=O)CCCCc2ccccc2)CCOCC1 ZINC000299799828 403578344 /nfs/dbraw/zinc/57/83/44/403578344.db2.gz UBYQFYRAVRUEKA-UHFFFAOYSA-N -1 0 305.374 2.149 50 0 DEAARM CCC[C@H]1COCCN1C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426488359 405363716 /nfs/dbraw/zinc/36/37/16/405363716.db2.gz OFXLYWBKCPHICM-ZDUSSCGKSA-N -1 0 307.346 2.035 50 0 DEAARM CSCC[C@H](NC(=O)c1ccc(C)n1C(F)F)C(=O)[O-] ZINC000426523729 405366697 /nfs/dbraw/zinc/36/66/97/405366697.db2.gz UVRKOGQWKNYTMC-QMMMGPOBSA-N -1 0 306.334 2.128 50 0 DEAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000426521119 405366731 /nfs/dbraw/zinc/36/67/31/405366731.db2.gz AIUGBBXTJRTSOT-CQSZACIVSA-N -1 0 319.405 2.254 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)[C@H]2Cc3ccccc3O2)cc1 ZINC000238093216 225213146 /nfs/dbraw/zinc/21/31/46/225213146.db2.gz USCCNYNUUZVIOA-MRXNPFEDSA-N 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/nfs/dbraw/zinc/09/90/58/295099058.db2.gz YVSURQPKBQXOMB-UHFFFAOYSA-N -1 0 320.326 2.113 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000237652044 297882479 /nfs/dbraw/zinc/88/24/79/297882479.db2.gz DZOZZZKQWPSFSM-SMDDNHRTSA-N -1 0 311.428 2.402 50 0 DEAARM Cc1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)[nH]1 ZINC000100020476 301371399 /nfs/dbraw/zinc/37/13/99/301371399.db2.gz PYAOPBJJNCTWCB-UHFFFAOYSA-N -1 0 323.157 2.440 50 0 DEAARM Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)sc1C(=O)[O-] ZINC000123672852 301394950 /nfs/dbraw/zinc/39/49/50/301394950.db2.gz DKCZGHWWHDERHZ-UWVGGRQHSA-N -1 0 315.416 2.175 50 0 DEAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237796866 302313148 /nfs/dbraw/zinc/31/31/48/302313148.db2.gz JWGAPMCIPPTSHM-QWHCGFSZSA-N -1 0 323.414 2.252 50 0 DEAARM Cn1cnc2cc(C(=O)N3CCCC[C@@H]3CCC(=O)[O-])ccc21 ZINC000263454300 303024299 /nfs/dbraw/zinc/02/42/99/303024299.db2.gz UETDTTSPAQUOTH-CYBMUJFWSA-N -1 0 315.373 2.433 50 0 DEAARM 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O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CCO2 ZINC000299741383 304152790 /nfs/dbraw/zinc/15/27/90/304152790.db2.gz FLSJLNOGIYXQJH-INIZCTEOSA-N -1 0 323.348 2.273 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2cccc(Br)c2)CC1 ZINC000011767190 181704990 /nfs/dbraw/zinc/70/49/90/181704990.db2.gz WKVLXZXHHBEHOX-UHFFFAOYSA-N -1 0 312.163 2.386 50 0 DEAARM O=C([O-])Cc1ccc(OCC(=O)NCCc2cccs2)cc1 ZINC000012979947 181817813 /nfs/dbraw/zinc/81/78/13/181817813.db2.gz OSMIDNCALMJIHV-UHFFFAOYSA-N -1 0 319.382 2.113 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)c(F)c1F)C(=O)[O-] ZINC000015442627 182002371 /nfs/dbraw/zinc/00/23/71/182002371.db2.gz AQIWKONTLIVVTR-MRVPVSSYSA-N -1 0 317.288 2.191 50 0 DEAARM O=C1c2ccccc2C(=O)N1CCSc1n[n-]c(=S)s1 ZINC000015923934 182024330 /nfs/dbraw/zinc/02/43/30/182024330.db2.gz IGJJUVLIDRTLRU-UHFFFAOYSA-N -1 0 323.424 2.215 50 0 DEAARM CN(c1c(F)cccc1C(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000016624081 182053866 /nfs/dbraw/zinc/05/38/66/182053866.db2.gz IUQBOZAVHZLHMO-UHFFFAOYSA-N -1 0 309.318 2.349 50 0 DEAARM COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)[O-] ZINC000016623958 182054140 /nfs/dbraw/zinc/05/41/40/182054140.db2.gz GFPNIQLOYGLHLW-UHFFFAOYSA-N -1 0 307.327 2.194 50 0 DEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000017054207 182071949 /nfs/dbraw/zinc/07/19/49/182071949.db2.gz JLVDRAKYWORNRI-QRFZECHKSA-N -1 0 317.341 2.491 50 0 DEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000027057444 304176043 /nfs/dbraw/zinc/17/60/43/304176043.db2.gz XUTKPUJHYYVKCU-OLZOCXBDSA-N -1 0 314.341 2.177 50 0 DEAARM Cc1nnc(SCc2cnc(-c3ccccc3)o2)[n-]c1=O ZINC000018179418 182096816 /nfs/dbraw/zinc/09/68/16/182096816.db2.gz YSBXRRSZGVUPOC-UHFFFAOYSA-N -1 0 300.343 2.421 50 0 DEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000027057436 304175873 /nfs/dbraw/zinc/17/58/73/304175873.db2.gz XUTKPUJHYYVKCU-STQMWFEESA-N -1 0 314.341 2.177 50 0 DEAARM C[C@H](Sc1ncccc1C(=O)[O-])C(=O)NCc1ccco1 ZINC000020303801 182204432 /nfs/dbraw/zinc/20/44/32/182204432.db2.gz OPUVIMGDYNPQLP-VIFPVBQESA-N -1 0 306.343 2.170 50 0 DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2C)n[nH]1 ZINC000021096295 182265648 /nfs/dbraw/zinc/26/56/48/182265648.db2.gz IVBGDBXYGYWQFX-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM Cc1ccccc1C(=O)Nc1nn2c([n-]1)nc(C)c(Cl)c2=O ZINC000021171314 182268177 /nfs/dbraw/zinc/26/81/77/182268177.db2.gz UJGOHSUWKJXMJN-UHFFFAOYSA-N -1 0 317.736 2.352 50 0 DEAARM O=C([N-]OCc1ccccc1)[C@@H]1CCCN1C(=O)c1ccco1 ZINC000025286665 182407330 /nfs/dbraw/zinc/40/73/30/182407330.db2.gz WMZZXKSMPOSSGM-AWEZNQCLSA-N -1 0 314.341 2.132 50 0 DEAARM Cc1cc(-c2ccccc2)nn2c(SCC(=O)[O-])nnc12 ZINC000027300836 182468173 /nfs/dbraw/zinc/46/81/73/182468173.db2.gz WROCMQLEHPOQHG-UHFFFAOYSA-N -1 0 300.343 2.276 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)cc1 ZINC000100856704 193805585 /nfs/dbraw/zinc/80/55/85/193805585.db2.gz LLBYTLGUYITGSH-AWEZNQCLSA-N -1 0 310.309 2.129 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2csc(Br)c2)C1 ZINC000037436093 182893642 /nfs/dbraw/zinc/89/36/42/182893642.db2.gz SJGRAAGMHAUFMN-SSDOTTSWSA-N -1 0 318.192 2.447 50 0 DEAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(F)c(Cl)cc1Cl ZINC000088373592 304200281 /nfs/dbraw/zinc/20/02/81/304200281.db2.gz GZLWNAJMKLKXPO-SNVBAGLBSA-N -1 0 322.119 2.058 50 0 DEAARM CC(C)(C)OC(=O)NCc1nc2ccccc2n1CC(=O)[O-] ZINC000038655435 183005566 /nfs/dbraw/zinc/00/55/66/183005566.db2.gz WAXPQFZXYJZOLH-UHFFFAOYSA-N -1 0 305.334 2.146 50 0 DEAARM COc1ccc2c(ccn2CCC(=O)NCCCC(=O)[O-])c1 ZINC000040309215 183053402 /nfs/dbraw/zinc/05/34/02/183053402.db2.gz YWKSNRDTECMKSV-UHFFFAOYSA-N -1 0 304.346 2.021 50 0 biogenic DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2sccc2Br)C1 ZINC000104286889 193996537 /nfs/dbraw/zinc/99/65/37/193996537.db2.gz LJNYSWDUNGQIRQ-LLVKDONJSA-N -1 0 318.192 2.447 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000268907825 207075762 /nfs/dbraw/zinc/07/57/62/207075762.db2.gz LVTYKLXGLCHZGA-JKSUJKDBSA-N -1 0 317.385 2.163 50 0 DEAARM CCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1OCC ZINC000268928514 207094420 /nfs/dbraw/zinc/09/44/20/207094420.db2.gz XEWXJXPSPNUSAA-CYZMBNFOSA-N -1 0 321.373 2.382 50 0 DEAARM CCCCN(CC)C(=O)c1cc(F)ccc1[N-]S(C)(=O)=O ZINC000058393764 184112454 /nfs/dbraw/zinc/11/24/54/184112454.db2.gz MSJQAGGMMOICQZ-UHFFFAOYSA-N -1 0 316.398 2.459 50 0 DEAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000062119987 184207264 /nfs/dbraw/zinc/20/72/64/184207264.db2.gz YCJGIMIAWSDKIN-ZETCQYMHSA-N -1 0 324.185 2.089 50 0 DEAARM CC[C@H](C)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000065539402 184362803 /nfs/dbraw/zinc/36/28/03/184362803.db2.gz KPULJTUULDBGBJ-QMMMGPOBSA-N -1 0 304.799 2.240 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)C1 ZINC000269209487 207327988 /nfs/dbraw/zinc/32/79/88/207327988.db2.gz VEIPZIFJLOLTHB-YOLVWIGZSA-N -1 0 323.732 2.015 50 0 DEAARM Cc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2Cc2c(C)noc2C)o1 ZINC000069492356 184519780 /nfs/dbraw/zinc/51/97/80/184519780.db2.gz MICKXOZQHJKKGO-XHDPSFHLSA-N -1 0 318.329 2.367 50 0 DEAARM C[C@@H](CNC(=O)CSc1ccc(F)c(F)c1)CC(=O)[O-] ZINC000157867436 197221492 /nfs/dbraw/zinc/22/14/92/197221492.db2.gz JCPSAEAQMULRTM-MRVPVSSYSA-N -1 0 303.330 2.284 50 0 DEAARM O=C([O-])CN(C(=O)[C@H]1Cc2cccc(F)c2O1)c1ccccc1 ZINC000156243098 197097690 /nfs/dbraw/zinc/09/76/90/197097690.db2.gz CKJNPAPWYXBQGC-CQSZACIVSA-N -1 0 315.300 2.247 50 0 DEAARM C[C@@H]1C[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)CCO1 ZINC000683297997 542424472 /nfs/dbraw/zinc/42/44/72/542424472.db2.gz QZUJILTXZRWNFC-HIFRSBDPSA-N -1 0 305.374 2.305 50 0 DEAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2CC=C(Cl)C[C@H]2C1=O ZINC000100591269 304269698 /nfs/dbraw/zinc/26/96/98/304269698.db2.gz KWSVYBROBOEDLZ-MWLCHTKSSA-N -1 0 305.717 2.407 50 0 DEAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000072144620 304271873 /nfs/dbraw/zinc/27/18/73/304271873.db2.gz ZRPNYLGONTWPDL-ZDUSSCGKSA-N -1 0 303.358 2.127 50 0 DEAARM O=C([O-])[C@H]1CCC[C@H](C(=O)N2CCOc3ccccc3C2)C1 ZINC000316358437 257236988 /nfs/dbraw/zinc/23/69/88/257236988.db2.gz SICXDCPLAGXQIN-STQMWFEESA-N -1 0 303.358 2.299 50 0 DEAARM Cn1cc(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000237763491 257237832 /nfs/dbraw/zinc/23/78/32/257237832.db2.gz HBGFXTLOSTYQJT-QGZVFWFLSA-N -1 0 300.358 2.044 50 0 DEAARM O=C([O-])c1c(=O)n(-c2ccc(F)cc2)cc2c1CCCC2=O ZINC000045796109 257269965 /nfs/dbraw/zinc/26/99/65/257269965.db2.gz NLYMHBXHCKWJKG-UHFFFAOYSA-N -1 0 301.273 2.194 50 0 DEAARM CC(C)(C)OC(=O)c1cc(Br)cnc1C(=O)[O-] ZINC000685944699 542769123 /nfs/dbraw/zinc/76/91/23/542769123.db2.gz RJRTXWLPAKAFSE-UHFFFAOYSA-N -1 0 302.124 2.498 50 0 DEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(c2ccc(Cl)cc2)CCOCC1 ZINC000362482203 133232885 /nfs/dbraw/zinc/23/28/85/133232885.db2.gz ATUYATPEVXIMOF-STQMWFEESA-N -1 0 323.776 2.183 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000262590647 145295441 /nfs/dbraw/zinc/29/54/41/145295441.db2.gz URVBWFHULBWOAY-OAHLLOKOSA-N -1 0 321.421 2.164 50 0 DEAARM Cc1ccc(NC(=S)N[N-]S(=O)(=O)c2ccccc2)cc1 ZINC000003086386 401721372 /nfs/dbraw/zinc/72/13/72/401721372.db2.gz DMORACSBVSEZTD-UHFFFAOYSA-N -1 0 321.427 2.175 50 0 DEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1cccc(F)c1 ZINC000006916791 401734134 /nfs/dbraw/zinc/73/41/34/401734134.db2.gz YCXUYONUOKUCQN-UHFFFAOYSA-N -1 0 315.347 2.475 50 0 DEAARM O=c1[n-]c(CNc2nc(-c3ccccc3)nc3ccccc32)n[nH]1 ZINC000075109967 401749357 /nfs/dbraw/zinc/74/93/57/401749357.db2.gz TULNNGDGYLQBFS-UHFFFAOYSA-N -1 0 318.340 2.320 50 0 DEAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)OCc1ccccc1 ZINC000000105356 401688122 /nfs/dbraw/zinc/68/81/22/401688122.db2.gz MCRMUCXATQAAMN-HNNXBMFYSA-N -1 0 315.325 2.314 50 0 biogenic,in-vitro DEAARM O=C([O-])C[C@H]1SC(c2cccc(-n3cccc3)c2)=NC1=O ZINC000000121352 401688229 /nfs/dbraw/zinc/68/82/29/401688229.db2.gz SCECKFITNRRBFY-GFCCVEGCSA-N -1 0 300.339 2.341 50 0 DEAARM Cc1cc(NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)n(C)n1 ZINC000000153149 401688741 /nfs/dbraw/zinc/68/87/41/401688741.db2.gz NXUAEAVRSRHHMA-CYBMUJFWSA-N -1 0 301.346 2.316 50 0 DEAARM COc1ccc(CC(=O)Nc2ccc(O)cc2C(=O)[O-])cc1 ZINC000000226990 401691719 /nfs/dbraw/zinc/69/17/19/401691719.db2.gz OFSJLEJAHSQUGX-UHFFFAOYSA-N -1 0 301.298 2.280 50 0 biogenic DEAARM CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(N)=O)C1 ZINC000000369063 401695852 /nfs/dbraw/zinc/69/58/52/401695852.db2.gz CVFLQQSICGUSLT-QMMMGPOBSA-N -1 0 324.402 2.165 50 0 DEAARM Cc1ccccc1Cn1ccc(NC(=O)CCCC(=O)[O-])n1 ZINC000000999923 401703505 /nfs/dbraw/zinc/70/35/05/401703505.db2.gz WXFBVICMXMPQGP-UHFFFAOYSA-N -1 0 301.346 2.433 50 0 DEAARM COc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000001389953 401706688 /nfs/dbraw/zinc/70/66/88/401706688.db2.gz GGARAUDIGSZPSJ-KBPBESRZSA-N -1 0 305.330 2.309 50 0 DEAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)c1ccc(O)cc1 ZINC000001435891 401707773 /nfs/dbraw/zinc/70/77/73/401707773.db2.gz CGDQNVNWDDEJPY-AWEZNQCLSA-N -1 0 301.298 2.444 50 0 DEAARM Cn1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)cn1 ZINC000001430102 401707821 /nfs/dbraw/zinc/70/78/21/401707821.db2.gz KEFCFRLLEUJUSY-UHFFFAOYSA-N -1 0 305.281 2.240 50 0 DEAARM CCCCN1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000001793013 401710977 /nfs/dbraw/zinc/71/09/77/401710977.db2.gz CSUOOXBTBJFALG-LBPRGKRZSA-N -1 0 307.371 2.405 50 0 DEAARM CCOCc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000002191243 401712061 /nfs/dbraw/zinc/71/20/61/401712061.db2.gz NDFLZKZURWQYDR-UHFFFAOYSA-N -1 0 313.404 2.184 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)OC1CCCCC1)C(=O)[O-] ZINC000002382577 401713368 /nfs/dbraw/zinc/71/33/68/401713368.db2.gz NLPQIWFEEKQBBN-NSHDSACASA-N -1 0 315.366 2.230 50 0 DEAARM CC(C)(C)OC(=O)NC1CCN([C@H](C(=O)[O-])c2ccco2)CC1 ZINC000002527330 401714702 /nfs/dbraw/zinc/71/47/02/401714702.db2.gz YPMFFOGSMOXXLA-ZDUSSCGKSA-N -1 0 324.377 2.394 50 0 DEAARM COc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000013264822 401798176 /nfs/dbraw/zinc/79/81/76/401798176.db2.gz IIEQLFNLBNODCN-UHFFFAOYSA-N -1 0 307.327 2.194 50 0 DEAARM O=C([O-])c1ccc(-n2ncc(NC3CC3)c(Cl)c2=O)cc1 ZINC000013277044 401798314 /nfs/dbraw/zinc/79/83/14/401798314.db2.gz UQCLTZAJFJKKNS-UHFFFAOYSA-N -1 0 305.721 2.158 50 0 DEAARM CCc1cc(=O)oc2cc(OCc3nnn[n-]3)c(Cl)cc12 ZINC000013805765 401804687 /nfs/dbraw/zinc/80/46/87/401804687.db2.gz XXEHPXLIHJITBA-UHFFFAOYSA-N -1 0 306.709 2.101 50 0 DEAARM COc1cccc(NC(=O)Cc2c([O-])c3ccccc3[nH]c2=O)c1 ZINC000008628142 401754297 /nfs/dbraw/zinc/75/42/97/401754297.db2.gz XYIQGJIJROXOBS-UHFFFAOYSA-N -1 0 324.336 2.424 50 0 DEAARM O=S1(=O)[N-]C(SCc2cccnc2)=Nc2ccccc21 ZINC000009530219 401763236 /nfs/dbraw/zinc/76/32/36/401763236.db2.gz XCPBGJOTCBIHHI-UHFFFAOYSA-N -1 0 305.384 2.485 50 0 DEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000020614479 401824437 /nfs/dbraw/zinc/82/44/37/401824437.db2.gz LHCJDWQBSRAFKJ-UHFFFAOYSA-N -1 0 313.235 2.389 50 0 DEAARM O=C([O-])c1ccc2c(=O)n(-c3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000021966602 401826612 /nfs/dbraw/zinc/82/66/12/401826612.db2.gz KQAPWDPUWNKAQD-UHFFFAOYSA-N -1 0 316.700 2.031 50 0 DEAARM COCCNC(=O)c1nn(-c2cccc(C(C)C)c2)cc1[O-] ZINC000078875605 401867378 /nfs/dbraw/zinc/86/73/78/401867378.db2.gz NDZTUFHYYPTSKF-UHFFFAOYSA-N -1 0 303.362 2.078 50 0 DEAARM C[C@H](Cn1cncn1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080003307 401885793 /nfs/dbraw/zinc/88/57/93/401885793.db2.gz WKLVIXUGNNLDPM-SSDOTTSWSA-N -1 0 315.160 2.109 50 0 DEAARM COc1ccc(-c2cc(N3CCC[C@H](C(=O)[O-])C3)ncn2)cc1 ZINC000032918487 401885971 /nfs/dbraw/zinc/88/59/71/401885971.db2.gz WIAGTARAKCTUSU-ZDUSSCGKSA-N -1 0 313.357 2.453 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2Cl)c[nH]1 ZINC000034973241 401894628 /nfs/dbraw/zinc/89/46/28/401894628.db2.gz IORJNXDPZIZMBS-UHFFFAOYSA-N -1 0 318.713 2.306 50 0 DEAARM C[C@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccccc1Cl ZINC000035303094 401897987 /nfs/dbraw/zinc/89/79/87/401897987.db2.gz ODFFOKWWENGGHO-GXFFZTMASA-N -1 0 310.781 2.066 50 0 DEAARM CCC[C@@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)[O-] ZINC000035686339 401900687 /nfs/dbraw/zinc/90/06/87/401900687.db2.gz NZMMBZCSUKCQSA-GFCCVEGCSA-N -1 0 304.346 2.170 50 0 DEAARM CC(=O)c1cn(CC(=O)N[C@H](C(=O)[O-])C(C)C)c2ccccc12 ZINC000036369916 401904770 /nfs/dbraw/zinc/90/47/70/401904770.db2.gz XOAJHMHNGXMKHX-INIZCTEOSA-N -1 0 316.357 2.069 50 0 biogenic DEAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCCC2)c2ccc(C(=O)[O-])cc21 ZINC000036360660 401904773 /nfs/dbraw/zinc/90/47/73/401904773.db2.gz ZOMNMULPFCMFBP-HNNXBMFYSA-N -1 0 316.357 2.488 50 0 DEAARM CN1C(=O)[C@H](C(=O)[O-])[C@H]2c3ccccc3O[C@@]13CCCC[C@H]23 ZINC000036498848 401905465 /nfs/dbraw/zinc/90/54/65/401905465.db2.gz JUWAKUBFCACRJR-ABYLEIOUSA-N -1 0 301.342 2.222 50 0 DEAARM COc1ccc(-c2nc3cnccn3c2NCCC(=O)[O-])cc1 ZINC000085347989 401914639 /nfs/dbraw/zinc/91/46/39/401914639.db2.gz MWKZGFJWOVWGSH-UHFFFAOYSA-N -1 0 312.329 2.292 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)CCCOc2ccccc2F)C1 ZINC000136116648 401960434 /nfs/dbraw/zinc/96/04/34/401960434.db2.gz IVOOKPPYVCWYRM-LBPRGKRZSA-N -1 0 309.337 2.308 50 0 DEAARM O=S(=O)([N-]C1CC1)c1cc(F)c(Br)cc1F ZINC000142077599 401990410 /nfs/dbraw/zinc/99/04/10/401990410.db2.gz OEWJHDBHIBYHIN-UHFFFAOYSA-N -1 0 312.135 2.168 50 0 DEAARM Cc1cc(NS(=O)(=O)N2CCC[C@@H](C)C2)ccc1C(=O)[O-] ZINC000044750149 401947759 /nfs/dbraw/zinc/94/77/59/401947759.db2.gz KBEZQEMGKRALBC-SNVBAGLBSA-N -1 0 312.391 2.082 50 0 DEAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cn12 ZINC000049408634 402016753 /nfs/dbraw/zinc/01/67/53/402016753.db2.gz OPNGSSNHMJCFCG-UHFFFAOYSA-N -1 0 322.777 2.492 50 0 DEAARM CC(C)c1ncc(Cl)c(C(=O)N[C@](C)(C(=O)[O-])C2CC2)n1 ZINC000050364139 402027372 /nfs/dbraw/zinc/02/73/72/402027372.db2.gz FSIDEKOPTACEFA-AWEZNQCLSA-N -1 0 311.769 2.237 50 0 DEAARM Cc1nc(CN2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)no1 ZINC000095367850 402028350 /nfs/dbraw/zinc/02/83/50/402028350.db2.gz JUZQUXFYCPIOPP-AWEZNQCLSA-N -1 0 301.346 2.456 50 0 DEAARM O=C([O-])c1cncnc1N1CCC(Oc2ccccc2F)CC1 ZINC000095380665 402030578 /nfs/dbraw/zinc/03/05/78/402030578.db2.gz LWWGAMWZZMVFMS-UHFFFAOYSA-N -1 0 317.320 2.362 50 0 DEAARM Cc1cc(C(=O)NC(C)(C)C(=O)[O-])c(C)n1-c1nccs1 ZINC000095969801 402038381 /nfs/dbraw/zinc/03/83/81/402038381.db2.gz PVQOKUQHBNFVRD-UHFFFAOYSA-N -1 0 307.375 2.144 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(N2CCOCC2)c1 ZINC000055151359 402076554 /nfs/dbraw/zinc/07/65/54/402076554.db2.gz SLHRIHZHRZNZSZ-UHFFFAOYSA-N -1 0 320.389 2.353 50 0 DEAARM CCCCN(Cc1ccco1)Cc1cnc(NCC(=O)[O-])nc1 ZINC000055383455 402081311 /nfs/dbraw/zinc/08/13/11/402081311.db2.gz PDZVVELDDPVKJC-UHFFFAOYSA-N -1 0 318.377 2.368 50 0 DEAARM Cc1cc(C)nc([N-]S(=O)(=O)Cc2ccc(F)cc2F)n1 ZINC000097114356 402109392 /nfs/dbraw/zinc/10/93/92/402109392.db2.gz PNZWNDLJHMNQRR-UHFFFAOYSA-N -1 0 313.329 2.314 50 0 DEAARM CCCn1nccc1[N-]S(=O)(=O)c1cccc2nsnc21 ZINC000066253196 402129323 /nfs/dbraw/zinc/12/93/23/402129323.db2.gz QXPDXOKAYQOLPH-UHFFFAOYSA-N -1 0 323.403 2.099 50 0 DEAARM Cn1c(=O)c(C(=O)Nc2ccc(O)cc2)c([O-])c2ccccc21 ZINC000100478272 402141206 /nfs/dbraw/zinc/14/12/06/402141206.db2.gz OMFYMMCGJVONAP-UHFFFAOYSA-N -1 0 310.309 2.202 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3F)c=2c(=O)n1-c1ccccc1 ZINC000101167612 402144263 /nfs/dbraw/zinc/14/42/63/402144263.db2.gz PRAVLKKYGBQKRR-HUUCEWRRSA-N -1 0 324.315 2.319 50 0 DEAARM O=c1c2[n-][nH]n(-c3cccc(F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101277653 402144270 /nfs/dbraw/zinc/14/42/70/402144270.db2.gz YPESBVNUZLGZEQ-ZIAGYGMSSA-N -1 0 310.288 2.324 50 0 DEAARM CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1CCc1ccccc1 ZINC000101449753 402145297 /nfs/dbraw/zinc/14/52/97/402145297.db2.gz BHZMCMOFSUNPTF-AWEZNQCLSA-N -1 0 320.414 2.042 50 0 DEAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cn12 ZINC000067172410 402153451 /nfs/dbraw/zinc/15/34/51/402153451.db2.gz RZOHJXDMFQUEIC-UHFFFAOYSA-N -1 0 320.349 2.286 50 0 DEAARM Cc1ncc(C(=O)[N-]S(=O)(=O)c2cc(C)ccc2C)s1 ZINC000069820037 402246679 /nfs/dbraw/zinc/24/66/79/402246679.db2.gz MFKYKPCXWDPNDU-UHFFFAOYSA-N -1 0 310.400 2.187 50 0 DEAARM CN(CCC(F)(F)F)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000071186243 402271063 /nfs/dbraw/zinc/27/10/63/402271063.db2.gz ORHHXNVHJGVOCR-UHFFFAOYSA-N -1 0 324.324 2.083 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000071280073 402272043 /nfs/dbraw/zinc/27/20/43/402272043.db2.gz WDFQLVQMIKUMFE-BDAKNGLRSA-N -1 0 302.252 2.396 50 0 DEAARM Cc1cc(C)n(C2CN(Cc3ccccc3OCC(=O)[O-])C2)n1 ZINC000215786452 402284314 /nfs/dbraw/zinc/28/43/14/402284314.db2.gz MINYKEBQFMKWAB-UHFFFAOYSA-N -1 0 315.373 2.020 50 0 DEAARM CC(C)[C@@H](NC(=O)CN1CCC[C@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000236602842 402367883 /nfs/dbraw/zinc/36/78/83/402367883.db2.gz BCHQWRJMGDEYJE-GOEBONIOSA-N -1 0 322.380 2.188 50 0 DEAARM CC(C)[C@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000236685626 402374641 /nfs/dbraw/zinc/37/46/41/402374641.db2.gz BCHQWRJMGDEYJE-ZBFHGGJFSA-N -1 0 322.380 2.188 50 0 DEAARM CC(C)(C)c1ccccc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000236748137 402380248 /nfs/dbraw/zinc/38/02/48/402380248.db2.gz ROQVYRXQHOISKF-LBPRGKRZSA-N -1 0 305.374 2.300 50 0 DEAARM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237761105 402420159 /nfs/dbraw/zinc/42/01/59/402420159.db2.gz NUQJUISHMRHOLP-LBPRGKRZSA-N -1 0 323.732 2.320 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000237952241 402428020 /nfs/dbraw/zinc/42/80/20/402428020.db2.gz IXEZRRQHSSSWJP-SSDOTTSWSA-N -1 0 305.227 2.391 50 0 DEAARM CO[C@@H](C)c1nc(C)c(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000178177746 402468459 /nfs/dbraw/zinc/46/84/59/402468459.db2.gz BXJXFWNCFVGRBA-VIFPVBQESA-N -1 0 312.391 2.096 50 0 DEAARM O=C(NCc1ncccc1O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000253427391 402665930 /nfs/dbraw/zinc/66/59/30/402665930.db2.gz ADVXHBJEIAVJFF-UGSOOPFHSA-N -1 0 310.353 2.144 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000253427856 402665958 /nfs/dbraw/zinc/66/59/58/402665958.db2.gz BBXYDTPARKIOHM-NWDGAFQWSA-N -1 0 302.355 2.147 50 0 DEAARM CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262627126 402728340 /nfs/dbraw/zinc/72/83/40/402728340.db2.gz NUEBCEOLTSHEQS-ZJUUUORDSA-N -1 0 317.263 2.264 50 0 DEAARM Cc1cc(C)c(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)o1 ZINC000262975176 402739001 /nfs/dbraw/zinc/73/90/01/402739001.db2.gz KFMXHKDQWJGATN-LBPRGKRZSA-N -1 0 305.252 2.376 50 0 DEAARM Cc1ncc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)c(C)n1 ZINC000263212123 402747463 /nfs/dbraw/zinc/74/74/63/402747463.db2.gz ZSRGCZOKJZDCDT-HNNXBMFYSA-N -1 0 313.357 2.266 50 0 DEAARM CCO[C@@H]1C[C@](NC(=O)c2ccc(Cl)o2)(C(=O)[O-])C1(C)C ZINC000193047008 402762666 /nfs/dbraw/zinc/76/26/66/402762666.db2.gz RRIPWZAZOITXLN-OTYXRUKQSA-N -1 0 315.753 2.321 50 0 DEAARM CCc1nn(C)c(CC)c1CNC(=O)c1cccc(C(=O)[O-])c1 ZINC000263415873 402767286 /nfs/dbraw/zinc/76/72/86/402767286.db2.gz JXYRRLPANNVDAS-UHFFFAOYSA-N -1 0 315.373 2.173 50 0 DEAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2cc(C3CC3)ncn2)C1 ZINC000091690401 292379231 /nfs/dbraw/zinc/37/92/31/292379231.db2.gz MRAPSBKVGFKVMY-KRWDZBQOSA-N -1 0 319.405 2.452 50 0 DEAARM CC(C)Oc1cccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000136490650 196539229 /nfs/dbraw/zinc/53/92/29/196539229.db2.gz ZEAZSKYUCHVWIM-HNNXBMFYSA-N -1 0 305.374 2.482 50 0 DEAARM Cc1cc(CNC(=O)c2ccccc2S[C@@H](C)C(=O)[O-])on1 ZINC000137164752 196566982 /nfs/dbraw/zinc/56/69/82/196566982.db2.gz QNQNBNFGPLMPRV-JTQLQIEISA-N -1 0 320.370 2.478 50 0 DEAARM CC[C@@H]1c2ccsc2CCN1C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237068169 287375147 /nfs/dbraw/zinc/37/51/47/287375147.db2.gz JKJDXZDZECBZQW-CHWSQXEVSA-N -1 0 322.430 2.133 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000299747812 229390833 /nfs/dbraw/zinc/39/08/33/229390833.db2.gz FDPPKIJUACMTSI-GHMZBOCLSA-N -1 0 301.264 2.085 50 0 DEAARM COc1ccccc1/C(C)=C\C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000606443690 422459971 /nfs/dbraw/zinc/45/99/71/422459971.db2.gz SKRDQADGGYGZKI-LUAWRHEFSA-N -1 0 315.329 2.018 50 0 DEAARM COC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000048383584 424832778 /nfs/dbraw/zinc/83/27/78/424832778.db2.gz XDPGXURONKARCL-MNOVXSKESA-N -1 0 321.304 2.218 50 0 DEAARM O=C([O-])CN1CC[C@H](Oc2c(F)cc(Cl)cc2Cl)C1=O ZINC000663220662 425817891 /nfs/dbraw/zinc/81/78/91/425817891.db2.gz UCEDAYQZUBDAJY-VIFPVBQESA-N -1 0 322.119 2.197 50 0 DEAARM CC[C@H](CO)n1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000006473438 287877276 /nfs/dbraw/zinc/87/72/76/287877276.db2.gz NXHLWUWLYVEPPG-MRVPVSSYSA-N -1 0 310.375 2.020 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000256534 278199708 /nfs/dbraw/zinc/19/97/08/278199708.db2.gz GVLBWQBONYHZKK-KGLIPLIRSA-N -1 0 302.330 2.251 50 0 DEAARM COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)cn1 ZINC000072277023 295096481 /nfs/dbraw/zinc/09/64/81/295096481.db2.gz DMZIFFUBWLQTIC-JTQLQIEISA-N -1 0 306.343 2.098 50 0 DEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@]2(CCOC2)C1 ZINC000154979362 304542264 /nfs/dbraw/zinc/54/22/64/304542264.db2.gz RCMVAIQDLAZUGJ-HNNXBMFYSA-N -1 0 304.371 2.369 50 0 DEAARM Cc1c(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])cnn1C(C)C ZINC000262872829 300933573 /nfs/dbraw/zinc/93/35/73/300933573.db2.gz GDZPRTGXWYBEDM-SCRDCRAPSA-N -1 0 305.378 2.098 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCCCCC2)sc1C(=O)[O-] ZINC000037238612 301380429 /nfs/dbraw/zinc/38/04/29/301380429.db2.gz JXNKWLVFUKAPOM-UHFFFAOYSA-N -1 0 303.405 2.319 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000253388814 302849746 /nfs/dbraw/zinc/84/97/46/302849746.db2.gz XPSVZQYBIWQLRI-UPJWGTAASA-N -1 0 319.361 2.099 50 0 DEAARM CC(C)(C)n1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000095947196 500601427 /nfs/dbraw/zinc/60/14/27/500601427.db2.gz UPKRSLLJPKYTFF-CYBMUJFWSA-N -1 0 301.346 2.194 50 0 DEAARM C[C@H](CN(C)C(=O)c1ccc(OC[C@@H]2CCCO2)cc1)C(=O)[O-] ZINC000299331735 534014340 /nfs/dbraw/zinc/01/43/40/534014340.db2.gz CJFKDAXLCKQRNG-DOMZBBRYSA-N -1 0 321.373 2.037 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)c1cccs1 ZINC000238155667 534501681 /nfs/dbraw/zinc/50/16/81/534501681.db2.gz VPXDDRDYPJYJHV-DGCLKSJQSA-N -1 0 317.366 2.384 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)CCO1 ZINC000299748578 534503782 /nfs/dbraw/zinc/50/37/82/534503782.db2.gz HNCXWZYBXOJCDU-HZSPNIEDSA-N -1 0 323.776 2.146 50 0 DEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000299750018 534539669 /nfs/dbraw/zinc/53/96/69/534539669.db2.gz MKIPVHCOFIFAHL-UWVGGRQHSA-N -1 0 304.371 2.066 50 0 DEAARM CCOc1ccccc1CCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000299741611 528717383 /nfs/dbraw/zinc/71/73/83/528717383.db2.gz GVEFFTHJFBXDTB-MRXNPFEDSA-N -1 0 323.414 2.094 50 0 DEAARM CN(Cc1nnc2n1CCCCC2)[C@H](C(=O)[O-])c1ccccc1 ZINC000737495039 600214115 /nfs/dbraw/zinc/21/41/15/600214115.db2.gz FHNLJBGYALSZME-INIZCTEOSA-N -1 0 314.389 2.262 50 0 DEAARM C[C@@](CNC(=O)[C@@H]1Cc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000263240510 625427582 /nfs/dbraw/zinc/42/75/82/625427582.db2.gz CDXHURZUMMMHDE-APWZRJJASA-N -1 0 309.365 2.485 50 0 DEAARM Cc1c(C=C2SC(=N)NC2=O)[n-]n(-c2ccccc2)c1=O ZINC000023128320 625089203 /nfs/dbraw/zinc/08/92/03/625089203.db2.gz BBEAHOYALWEGPJ-YRNVUSSQSA-N -1 0 300.343 2.025 50 0 DEAARM Cc1coc(CC(=O)[O-])c1C(=O)Nc1cnc(C(C)C)nc1 ZINC000863982016 686602510 /nfs/dbraw/zinc/60/25/10/686602510.db2.gz ZBGCQJSZVLMSFP-UHFFFAOYSA-N -1 0 303.318 2.381 50 0 DEAARM C/C(=C\C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccccc1F ZINC000584908003 789634076 /nfs/dbraw/zinc/63/40/76/789634076.db2.gz MBBNYRSIDOMWHT-ZRDIBKRKSA-N -1 0 321.348 2.321 50 0 DEAARM O=S(=O)([N-]c1ccsn1)c1ccc2c(c1)OCCCO2 ZINC000952993703 792854961 /nfs/dbraw/zinc/85/49/61/792854961.db2.gz KNIYTNFCZIRFPC-UHFFFAOYSA-N -1 0 312.372 2.105 50 0 DEAARM CN(C[C@H]1CCN(c2ccccc2)C1)c1nc(C(=O)[O-])co1 ZINC001529133689 1070874643 /nfs/dbraw/zinc/87/46/43/1070874643.db2.gz DDJQMCWZESTDDD-GFCCVEGCSA-N -1 0 301.346 2.336 50 0 DEAARM O=C([O-])c1cnc(N2CCC([C@@H](O)c3cccs3)CC2)cn1 ZINC001529146793 1070880934 /nfs/dbraw/zinc/88/09/34/1070880934.db2.gz QHPVPAIVORRBFI-CQSZACIVSA-N -1 0 319.386 2.186 50 0 DEAARM COc1cc(C(=O)[O-])cc(C(=O)NCCCC[C@H]2CCCO2)c1 ZINC000426359818 230791143 /nfs/dbraw/zinc/79/11/43/230791143.db2.gz NEQLRGJNHDBQCT-AWEZNQCLSA-N 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/nfs/dbraw/zinc/89/35/89/182893589.db2.gz NCQWUULXJWGWAB-LLVKDONJSA-N -1 0 311.765 2.432 50 0 DEAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000299745103 304200226 /nfs/dbraw/zinc/20/02/26/304200226.db2.gz WEOTTYQVFYKTDG-MRXNPFEDSA-N -1 0 311.337 2.279 50 0 DEAARM O=C([O-])[C@@]1(NC(=O)Cc2c(F)cccc2Cl)CCSC1 ZINC000043508689 183368154 /nfs/dbraw/zinc/36/81/54/183368154.db2.gz VVGRUAJEQPYONS-CYBMUJFWSA-N -1 0 317.769 2.098 50 0 DEAARM CC[C@]1(c2ccc(C(C)C)cc2)NC(=O)N(CC(=O)[O-])C1=O ZINC000057842156 184056422 /nfs/dbraw/zinc/05/64/22/184056422.db2.gz LDRSYGNBBCBDKT-MRXNPFEDSA-N -1 0 304.346 2.052 50 0 DEAARM CCC(CC)(CC(=O)Nc1ccc2c(c1)C(=O)NC2)C(=O)[O-] ZINC000058473476 184120025 /nfs/dbraw/zinc/12/00/25/184120025.db2.gz MMSXLPJROQSMPL-UHFFFAOYSA-N -1 0 304.346 2.150 50 0 DEAARM Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117839 184206528 /nfs/dbraw/zinc/20/65/28/184206528.db2.gz GKHXDNFCTKEOTQ-QWRGUYRKSA-N -1 0 311.765 2.349 50 0 DEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCCN1Cc1ccc(F)cc1 ZINC000269088440 207232136 /nfs/dbraw/zinc/23/21/36/207232136.db2.gz OSMZGGYGWGNNHO-HNNXBMFYSA-N -1 0 322.380 2.113 50 0 DEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CNC(=O)CC(C)(C)C ZINC000120248093 195127342 /nfs/dbraw/zinc/12/73/42/195127342.db2.gz LPBPSLFROOFDLE-UHFFFAOYSA-N -1 0 306.362 2.184 50 0 DEAARM C[C@@H](NC(=O)CN1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000158490479 197277523 /nfs/dbraw/zinc/27/75/23/197277523.db2.gz YUMCTYHIWJAICU-BXUZGUMPSA-N -1 0 324.808 2.456 50 0 DEAARM CN(CC(=O)[O-])C(=O)c1ccc(-n2cnc3ccccc32)cc1 ZINC000153072471 196848900 /nfs/dbraw/zinc/84/89/00/196848900.db2.gz KIJADASDITVXOQ-UHFFFAOYSA-N -1 0 309.325 2.182 50 0 DEAARM Cc1cc(S[C@@H](C(=O)[O-])c2ccccc2)n2ncnc2n1 ZINC000030822756 256531820 /nfs/dbraw/zinc/53/18/20/256531820.db2.gz HEMVHHGDLAWWJE-GFCCVEGCSA-N -1 0 300.343 2.351 50 0 DEAARM O=C([O-])Cc1csc(Nc2ccc(Cn3cncn3)cc2)n1 ZINC000216628121 257273760 /nfs/dbraw/zinc/27/37/60/257273760.db2.gz AVUBEKKKYOUSRM-UHFFFAOYSA-N -1 0 315.358 2.154 50 0 DEAARM Cn1cc(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000237763555 257237604 /nfs/dbraw/zinc/23/76/04/257237604.db2.gz HBGFXTLOSTYQJT-KRWDZBQOSA-N -1 0 300.358 2.044 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)COCc1ccccc1 ZINC000261552384 257237779 /nfs/dbraw/zinc/23/77/79/257237779.db2.gz RGOKEPGEBCZHJC-OAHLLOKOSA-N -1 0 305.374 2.449 50 0 DEAARM Cc1ccccc1CCC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237719249 257238503 /nfs/dbraw/zinc/23/85/03/257238503.db2.gz DEQCJSWQWHBNAM-UHFFFAOYSA-N -1 0 319.401 2.410 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000237645756 257238523 /nfs/dbraw/zinc/23/85/23/257238523.db2.gz SZBFTZUJYZRGMY-MRXNPFEDSA-N -1 0 304.321 2.173 50 0 DEAARM Cc1ccc(Br)cc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000087741802 257260840 /nfs/dbraw/zinc/26/08/40/257260840.db2.gz YSEOLPFWCSICGJ-NSHDSACASA-N -1 0 312.163 2.447 50 0 DEAARM Cc1cc([O-])c(C2=Nc3ncnn3[C@H](c3ccccc3)C2)c(=O)o1 ZINC000036621712 291969752 /nfs/dbraw/zinc/96/97/52/291969752.db2.gz SMEXQYLPVKDRTE-ZDUSSCGKSA-N -1 0 322.324 2.359 50 0 DEAARM O=C([O-])C1CCC(Nc2ccc(NC(=O)C3CC3)nc2)CC1 ZINC000263396313 132585643 /nfs/dbraw/zinc/58/56/43/132585643.db2.gz GSEYCFUEUBVRBI-UHFFFAOYSA-N -1 0 303.362 2.485 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1ccc2ccccc2c1)[C@@H]1CCCOC1 ZINC000262720690 145301423 /nfs/dbraw/zinc/30/14/23/145301423.db2.gz DULCPBRDXMVVCH-CVEARBPZSA-N -1 0 313.353 2.449 50 0 DEAARM COc1c(C)cc(C(=O)N2C[C@@H](OC)C[C@@H]2CC(=O)[O-])cc1C ZINC000262970311 145315027 /nfs/dbraw/zinc/31/50/27/145315027.db2.gz IRFYTGSJUCOEMP-KGLIPLIRSA-N -1 0 321.373 2.016 50 0 DEAARM C[C@@H](Oc1ccc(/C=C2/SC(=O)N(C)C2=O)cc1)C(=O)[O-] ZINC000002978991 401721059 /nfs/dbraw/zinc/72/10/59/401721059.db2.gz XIRBRWFZIDGGSD-XAPLUZPNSA-N -1 0 307.327 2.205 50 0 DEAARM Cc1ccc(OCCNC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000003075266 401721419 /nfs/dbraw/zinc/72/14/19/401721419.db2.gz UTGNOVQBXRWDFM-LSDHHAIUSA-N -1 0 303.358 2.157 50 0 DEAARM Cc1cc2c(cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])OCO2 ZINC000006668245 401731988 /nfs/dbraw/zinc/73/19/88/401731988.db2.gz JZOMYLSRHYPZRD-GHMZBOCLSA-N -1 0 303.314 2.329 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1OC)C(=O)[O-] ZINC000006934279 401734739 /nfs/dbraw/zinc/73/47/39/401734739.db2.gz PAUYLFWERLEVTJ-ZANVPECISA-N -1 0 310.350 2.325 50 0 biogenic DEAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000133701 401688378 /nfs/dbraw/zinc/68/83/78/401688378.db2.gz SBHJWGVUVFVDMN-SNVBAGLBSA-N -1 0 324.185 2.231 50 0 DEAARM O=C([O-])CCCC(=O)Nc1ccccc1C(=O)N1CCCC1 ZINC000000193595 401689671 /nfs/dbraw/zinc/68/96/71/401689671.db2.gz SDVUTHXUDAJMCU-UHFFFAOYSA-N -1 0 304.346 2.116 50 0 DEAARM O=C([O-])c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 ZINC000000246264 401691765 /nfs/dbraw/zinc/69/17/65/401691765.db2.gz FCNJMGGLUGSOGL-UHFFFAOYSA-N -1 0 303.767 2.213 50 0 DEAARM Cc1nn(C)c([N-]S(=O)(=O)c2cc(F)cc(F)c2)c1C ZINC000071883920 401692250 /nfs/dbraw/zinc/69/22/50/401692250.db2.gz YOSVFBMTMKASLU-UHFFFAOYSA-N -1 0 301.318 2.116 50 0 DEAARM CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(N)=O)C1 ZINC000000369064 401695651 /nfs/dbraw/zinc/69/56/51/401695651.db2.gz CVFLQQSICGUSLT-MRVPVSSYSA-N -1 0 324.402 2.165 50 0 DEAARM O=C1CCCN1CCCn1c(=O)c2cc(F)ccc2[n-]c1=S ZINC000000424955 401697716 /nfs/dbraw/zinc/69/77/16/401697716.db2.gz LWAINHKGUKXZMN-UHFFFAOYSA-N -1 0 321.377 2.211 50 0 DEAARM COc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000000615897 401702008 /nfs/dbraw/zinc/70/20/08/401702008.db2.gz GVOQVIUIGUCBME-CHWSQXEVSA-N -1 0 321.373 2.211 50 0 DEAARM COc1ccc(NC(=O)c2cccnc2C(=O)[O-])c(OC)c1 ZINC000000613837 401702312 /nfs/dbraw/zinc/70/23/12/401702312.db2.gz FXLNOGIMIKDPAW-UHFFFAOYSA-N -1 0 302.286 2.049 50 0 DEAARM COc1cccc(C(=O)Nc2cnn(CCCC(=O)[O-])c2)c1 ZINC000001424796 401707241 /nfs/dbraw/zinc/70/72/41/401707241.db2.gz NQRWQYRCRZUQHP-UHFFFAOYSA-N -1 0 303.318 2.009 50 0 DEAARM Cc1cc2ncc(C(=O)Nc3ccsc3C(=O)[O-])c(C)n2n1 ZINC000002384361 401713391 /nfs/dbraw/zinc/71/33/91/401713391.db2.gz ICBQMUXQZBRNMY-UHFFFAOYSA-N -1 0 316.342 2.358 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])c1ccc2c(c1)OCO2 ZINC000002511618 401714862 /nfs/dbraw/zinc/71/48/62/401714862.db2.gz UOQWIQGAZKFCDC-SNVBAGLBSA-N -1 0 309.318 2.456 50 0 DEAARM CCc1ccccc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000002606618 401715556 /nfs/dbraw/zinc/71/55/56/401715556.db2.gz KXWSCKBJPUBUGK-UHFFFAOYSA-N -1 0 304.375 2.179 50 0 DEAARM Cc1ccc(C)c(OCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013170544 401797762 /nfs/dbraw/zinc/79/77/62/401797762.db2.gz SWKIVHSIKMVIRT-CQSZACIVSA-N -1 0 305.374 2.396 50 0 DEAARM COc1cc(C(=O)[O-])ccc1O[C@@H](C)C(=O)NC1CCCC1 ZINC000013419921 401799861 /nfs/dbraw/zinc/79/98/61/401799861.db2.gz ASGUKPPCFDOTOU-JTQLQIEISA-N -1 0 307.346 2.220 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)COc2ccc(F)cc2)cc1 ZINC000013442197 401799950 /nfs/dbraw/zinc/79/99/50/401799950.db2.gz VZGQUQBAGUEHNW-UHFFFAOYSA-N -1 0 317.316 2.262 50 0 DEAARM O=C1Cc2cc([N-]S(=O)(=O)c3ccc(F)cc3F)ccc2N1 ZINC000009572785 401764340 /nfs/dbraw/zinc/76/43/40/401764340.db2.gz KQAHISBRRBXQGP-UHFFFAOYSA-N -1 0 324.308 2.260 50 0 DEAARM O=c1nc(CNc2ccc3c(c2)OCO3)[n-]c2ccsc21 ZINC000009647096 401765068 /nfs/dbraw/zinc/76/50/68/401765068.db2.gz DHOXXSURHPTBFF-UHFFFAOYSA-N -1 0 301.327 2.325 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccccc2F)c(F)c1 ZINC000076081897 401781353 /nfs/dbraw/zinc/78/13/53/401781353.db2.gz MXTUMSTXEGQRBG-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000128527918 401781441 /nfs/dbraw/zinc/78/14/41/401781441.db2.gz GYNYWVMPOWMOSF-SECBINFHSA-N -1 0 305.359 2.075 50 0 DEAARM O=C([O-])c1cccc(CN2C(=S)N=NC2c2ccncc2)c1 ZINC000012391866 401784635 /nfs/dbraw/zinc/78/46/35/401784635.db2.gz PBPNFBYQCPMFHI-UHFFFAOYSA-N -1 0 312.354 2.375 50 0 DEAARM C[C@H]1CCCN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1 ZINC000013087161 401795894 /nfs/dbraw/zinc/79/58/94/401795894.db2.gz JMDZUAQTRFXCBV-LBPRGKRZSA-N -1 0 311.403 2.124 50 0 DEAARM COc1ccccc1CNC(=O)COc1cccc(C(=O)[O-])c1 ZINC000013079951 401796042 /nfs/dbraw/zinc/79/60/42/401796042.db2.gz UHIQLYBVTKLILK-UHFFFAOYSA-N -1 0 315.325 2.089 50 0 DEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccccc2N)cc1 ZINC000035178498 401896654 /nfs/dbraw/zinc/89/66/54/401896654.db2.gz RDUWRBWDJBGLCL-OAHLLOKOSA-N -1 0 314.341 2.223 50 0 DEAARM CC(C)(C)[C@H](NC(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000035390064 401899157 /nfs/dbraw/zinc/89/91/57/401899157.db2.gz KPPXCAVLNBNFRW-SECBINFHSA-N -1 0 315.167 2.073 50 0 DEAARM C[C@H](O)[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037407215 401913032 /nfs/dbraw/zinc/91/30/32/401913032.db2.gz MEORQPXWSFVHNN-QUBYGPBYSA-N -1 0 313.762 2.119 50 0 DEAARM CN(Cc1ccccc1Br)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000037827516 401917770 /nfs/dbraw/zinc/91/77/70/401917770.db2.gz FENGJZIONZTOBP-NXEZZACHSA-N -1 0 312.163 2.128 50 0 DEAARM C[C@H](C(=O)[O-])N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000089598249 401953474 /nfs/dbraw/zinc/95/34/74/401953474.db2.gz UFIPULYSSDYCHO-MRVPVSSYSA-N -1 0 305.252 2.059 50 0 DEAARM O=S(=O)([N-]c1c[nH]nc1-c1ccccn1)c1ccccc1F ZINC000089814063 401966014 /nfs/dbraw/zinc/96/60/14/401966014.db2.gz FRPZBHJFPAMADU-UHFFFAOYSA-N -1 0 318.333 2.412 50 0 DEAARM CCc1ncsc1[N-]S(=O)(=O)c1cc(Cl)cnc1N ZINC000089282684 401941180 /nfs/dbraw/zinc/94/11/80/401941180.db2.gz MNZLOTZTOJRKFM-UHFFFAOYSA-N -1 0 318.811 2.137 50 0 DEAARM C[C@@H](NC(=O)c1c([O-])c2sccc2[nH]c1=O)c1ccncc1 ZINC000049409583 402016613 /nfs/dbraw/zinc/01/66/13/402016613.db2.gz FLSMVDDLUYXAMY-MRVPVSSYSA-N -1 0 315.354 2.181 50 0 DEAARM CCc1ncnc(N(C)Cc2nc(=O)c3sccc3[n-]2)c1F ZINC000095944837 402035871 /nfs/dbraw/zinc/03/58/71/402035871.db2.gz KEIRBJWIZBAVLQ-UHFFFAOYSA-N -1 0 319.365 2.113 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000096295739 402076726 /nfs/dbraw/zinc/07/67/26/402076726.db2.gz ANQPBZXIOBWVGX-XQRVVYSFSA-N -1 0 319.357 2.040 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)cn1 ZINC000096408031 402078782 /nfs/dbraw/zinc/07/87/82/402078782.db2.gz SDOWDFJSOGJLLA-UHFFFAOYSA-N -1 0 320.296 2.118 50 0 DEAARM CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(C)(C)C)[nH]n2)cn1 ZINC000096433490 402085706 /nfs/dbraw/zinc/08/57/06/402085706.db2.gz ODTRJAJCPYUCLU-UHFFFAOYSA-N -1 0 311.411 2.285 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)c1cc(Cl)c[nH]1)Cc1ccccc1 ZINC000097035964 402101007 /nfs/dbraw/zinc/10/10/07/402101007.db2.gz KASIEQAIFIESRJ-LLVKDONJSA-N -1 0 306.749 2.341 50 0 DEAARM Cc1n[nH]c(C)c1C(=O)NC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000097053571 402103652 /nfs/dbraw/zinc/10/36/52/402103652.db2.gz MULIKCKGOAHZFI-CQSZACIVSA-N -1 0 315.373 2.008 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000097062107 402103885 /nfs/dbraw/zinc/10/38/85/402103885.db2.gz OUWZGWNVPSSCLO-QWHCGFSZSA-N -1 0 311.403 2.143 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2C)c(C)c1F ZINC000097083734 402105503 /nfs/dbraw/zinc/10/55/03/402105503.db2.gz SJUFWMCHUKVODD-UHFFFAOYSA-N -1 0 313.354 2.283 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)N(C(=O)c1ccncc1)C1CC1 ZINC000097228630 402118427 /nfs/dbraw/zinc/11/84/27/402118427.db2.gz RAXYAWCUJBERLM-INIZCTEOSA-N -1 0 310.353 2.382 50 0 DEAARM CCOC(=O)CCc1c(C)[n-]n(-c2nc3ccccc3[nH]2)c1=O ZINC000100137641 402139798 /nfs/dbraw/zinc/13/97/98/402139798.db2.gz FPVRWUAPUMLKTJ-UHFFFAOYSA-N -1 0 314.345 2.258 50 0 DEAARM O=C(Nc1ccccc1O[C@H]1CCOC1)c1ncccc1[O-] ZINC000153986252 402184931 /nfs/dbraw/zinc/18/49/31/402184931.db2.gz QLNBUVQFJHEANR-NSHDSACASA-N -1 0 300.314 2.207 50 0 DEAARM COCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000069492065 402226960 /nfs/dbraw/zinc/22/69/60/402226960.db2.gz QOXBCINYYCMQBC-DZGCQCFKSA-N -1 0 309.337 2.227 50 0 DEAARM O=C([O-])CCCC(=O)NCCCn1ncc2c1cccc2Cl ZINC000071196079 402271255 /nfs/dbraw/zinc/27/12/55/402271255.db2.gz CVZAPPKXPQXPBU-UHFFFAOYSA-N -1 0 323.780 2.451 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000224811877 402314910 /nfs/dbraw/zinc/31/49/10/402314910.db2.gz GXZLUXJNAWONLN-ZCFIWIBFSA-N -1 0 324.185 2.371 50 0 DEAARM CC(C)c1noc2ncc(C(=O)N3CCC(C(=O)[O-])CC3)cc21 ZINC000236674695 402373148 /nfs/dbraw/zinc/37/31/48/402373148.db2.gz VKXFSSLOZGUFQN-UHFFFAOYSA-N -1 0 317.345 2.283 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)COCc2ccccc2)c2ccccc21 ZINC000177478396 402407328 /nfs/dbraw/zinc/40/73/28/402407328.db2.gz NFWLZXHJJOODMQ-OAHLLOKOSA-N -1 0 311.337 2.418 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000237649957 402416635 /nfs/dbraw/zinc/41/66/35/402416635.db2.gz CQQDWPRGCHKUBX-DAYGRLMNSA-N -1 0 317.385 2.478 50 0 DEAARM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000237903493 402426090 /nfs/dbraw/zinc/42/60/90/402426090.db2.gz SBCBXGJIQSEODA-AWEZNQCLSA-N -1 0 315.325 2.500 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CCC1CCOCC1 ZINC000238022733 402432445 /nfs/dbraw/zinc/43/24/45/402432445.db2.gz SCZOUFRKYUTLML-MRXNPFEDSA-N -1 0 317.385 2.231 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000238064975 402435718 /nfs/dbraw/zinc/43/57/18/402435718.db2.gz FKTLHQRHCIOXLP-GFCCVEGCSA-N -1 0 313.300 2.199 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000238062946 402436000 /nfs/dbraw/zinc/43/60/00/402436000.db2.gz AFDXPBBHWRIIGB-JKSUJKDBSA-N -1 0 317.385 2.487 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000238075056 402436430 /nfs/dbraw/zinc/43/64/30/402436430.db2.gz GEQFSKWKQYRZBN-NSHDSACASA-N -1 0 317.320 2.153 50 0 DEAARM O=C([O-])CCNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000238178114 402440323 /nfs/dbraw/zinc/44/03/23/402440323.db2.gz HOEXNGXORXIQFI-QWRGUYRKSA-N -1 0 301.264 2.400 50 0 DEAARM Cc1nc2ccccc2n1CC(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000178297107 402481122 /nfs/dbraw/zinc/48/11/22/402481122.db2.gz CQCKMORGLOHYGL-KRWDZBQOSA-N -1 0 323.352 2.287 50 0 DEAARM O=C([O-])CN1C(=O)[C@H](Oc2ccc(F)cc2)C12CCCCC2 ZINC000169676551 402501540 /nfs/dbraw/zinc/50/15/40/402501540.db2.gz HKFMHUQDERDIKI-AWEZNQCLSA-N -1 0 307.321 2.203 50 0 DEAARM 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C[C@H](C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000639429725 406085724 /nfs/dbraw/zinc/08/57/24/406085724.db2.gz KIPUOYOEBNIGTE-JQWIXIFHSA-N -1 0 303.362 2.370 50 0 DEAARM C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136167836 196524372 /nfs/dbraw/zinc/52/43/72/196524372.db2.gz FGGXAJBRSYYHME-KGLIPLIRSA-N -1 0 305.374 2.415 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000299743008 229380141 /nfs/dbraw/zinc/38/01/41/229380141.db2.gz LLYRCMPWPUKTBP-JSGCOSHPSA-N -1 0 303.358 2.266 50 0 DEAARM CC[C@H](C)Oc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347922 287632870 /nfs/dbraw/zinc/63/28/70/287632870.db2.gz WEVYQNOECMTEGQ-GXFFZTMASA-N -1 0 314.345 2.439 50 0 DEAARM CCn1c(=O)c2ccc(C(=O)NCC3CCC3)cc2[n-]c1=S ZINC000103154731 424848760 /nfs/dbraw/zinc/84/87/60/424848760.db2.gz LFYPIGWHOKBFHK-UHFFFAOYSA-N -1 0 317.414 2.235 50 0 DEAARM C[C@](NC(=O)[C@H]1C[C@H]1c1cccc(F)c1F)(C(=O)[O-])C1CC1 ZINC000108167527 424851040 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401698845 /nfs/dbraw/zinc/69/88/45/401698845.db2.gz BTUCDCVKKNNAFO-RKDXNWHRSA-N -1 0 311.359 2.364 50 0 DEAARM CC(C)CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001321271 401705167 /nfs/dbraw/zinc/70/51/67/401705167.db2.gz HURPYOMXIQVOBS-UHFFFAOYSA-N -1 0 314.385 2.429 50 0 DEAARM CC(C)COc1ccc(C(C)(C)C(=O)[N-]S(C)(=O)=O)cc1 ZINC000072271634 401705417 /nfs/dbraw/zinc/70/54/17/401705417.db2.gz XKBABBYWUXBBFG-UHFFFAOYSA-N -1 0 313.419 2.075 50 0 DEAARM Cc1ccccc1[C@@H]1[C@H](C(=O)[O-])CCC(=O)N1C[C@@H]1CCOC1 ZINC000072275747 401705513 /nfs/dbraw/zinc/70/55/13/401705513.db2.gz PMQIUZOFXICROE-YSVLISHTSA-N -1 0 317.385 2.396 50 0 DEAARM Cc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1C(=O)[O-] ZINC000013348931 401798961 /nfs/dbraw/zinc/79/89/61/401798961.db2.gz YLEZKGBWXNVZQK-UHFFFAOYSA-N -1 0 317.366 2.445 50 0 DEAARM O=C(c1ccccc1)c1ccc2[nH]c(S(=O)(=O)[O-])nc2c1 ZINC000008701357 401755322 /nfs/dbraw/zinc/75/53/22/401755322.db2.gz UDIQSSGUXKJPOL-UHFFFAOYSA-N -1 0 302.311 2.041 50 0 DEAARM O=C(c1ccc([N-]S(=O)(=O)c2cccs2)cc1)N1CCC1 ZINC000008746734 401756436 /nfs/dbraw/zinc/75/64/36/401756436.db2.gz JDPRAHDWDRNEEJ-UHFFFAOYSA-N -1 0 322.411 2.395 50 0 DEAARM Cc1nnc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c[nH]2)o1 ZINC000075427903 401759367 /nfs/dbraw/zinc/75/93/67/401759367.db2.gz CPVYURKSTGGTGR-UHFFFAOYSA-N -1 0 322.321 2.313 50 0 DEAARM CC(C)CN1C(=O)S[C@@H](Nc2ccccc2C(=O)[O-])C1=O ZINC000009338865 401761734 /nfs/dbraw/zinc/76/17/34/401761734.db2.gz KNTHXZOCOUNOJK-LLVKDONJSA-N -1 0 308.359 2.474 50 0 DEAARM COc1cccc(-c2nnc([N-]C(=O)c3cc(C)no3)o2)c1 ZINC000012422432 401785711 /nfs/dbraw/zinc/78/57/11/401785711.db2.gz HOTPTYRHPIRKSC-UHFFFAOYSA-N -1 0 300.274 2.294 50 0 DEAARM CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000019231545 401822320 /nfs/dbraw/zinc/82/23/20/401822320.db2.gz BCASULWFHPZNBV-UHFFFAOYSA-N -1 0 312.174 2.378 50 0 DEAARM Cc1[nH]nc2c1[C@H](c1ccc(C(=O)[O-])cc1)SCC(=O)N2 ZINC000021525133 401825833 /nfs/dbraw/zinc/82/58/33/401825833.db2.gz AXXQHKNPESQZIY-LBPRGKRZSA-N -1 0 303.343 2.191 50 0 DEAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2cnn(C)c2)cc1 ZINC000078556802 401856240 /nfs/dbraw/zinc/85/62/40/401856240.db2.gz KZNJCEGPHDVJCQ-UHFFFAOYSA-N -1 0 308.407 2.067 50 0 DEAARM CCCCOc1cnc([N-]S(=O)(=O)c2ccc(N)cc2)nc1 ZINC000032106291 401876084 /nfs/dbraw/zinc/87/60/84/401876084.db2.gz GSFQJPLGVOTORF-UHFFFAOYSA-N -1 0 322.390 2.039 50 0 DEAARM C[C@@H](Cn1cncn1)NC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080003304 401886165 /nfs/dbraw/zinc/88/61/65/401886165.db2.gz WKLVIXUGNNLDPM-ZETCQYMHSA-N -1 0 315.160 2.109 50 0 DEAARM CN(Cc1ccc(Br)o1)C(=O)CCCC(=O)[O-] ZINC000037834957 401917744 /nfs/dbraw/zinc/91/77/44/401917744.db2.gz WGYUJICBLSATCZ-UHFFFAOYSA-N -1 0 304.140 2.255 50 0 DEAARM CS(=O)(=O)c1ccc(-c2nc(=O)c3sccc3[n-]2)cc1 ZINC000044978346 401953234 /nfs/dbraw/zinc/95/32/34/401953234.db2.gz QZJNGPYRKFVMSI-UHFFFAOYSA-N -1 0 306.368 2.055 50 0 DEAARM O=C1C[C@@H](c2nc(=O)c3sccc3[n-]2)CN1CC1CCC1 ZINC000089885396 401970399 /nfs/dbraw/zinc/97/03/99/401970399.db2.gz JWVZVGWDVQEZPJ-SNVBAGLBSA-N -1 0 303.387 2.101 50 0 DEAARM CCn1cnnc1CN1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095352668 402026749 /nfs/dbraw/zinc/02/67/49/402026749.db2.gz ADJIKPMXHKRRBX-OAHLLOKOSA-N -1 0 314.389 2.376 50 0 DEAARM COc1cccc(CN(C)[C@@H](C(=O)[O-])c2c(C)nn(C)c2C)c1 ZINC000095375297 402029926 /nfs/dbraw/zinc/02/99/26/402029926.db2.gz BRVNOVLEALFUMA-MRXNPFEDSA-N -1 0 317.389 2.303 50 0 DEAARM Cc1nc(CN(C)[C@H](C(=O)[O-])c2c(C)nn(C)c2C)cs1 ZINC000095378554 402030561 /nfs/dbraw/zinc/03/05/61/402030561.db2.gz BMHLFJCFCCGYLK-ZDUSSCGKSA-N -1 0 308.407 2.060 50 0 DEAARM CCC[C@](C)(NC(=O)Cc1c(C)nn(C(F)F)c1C)C(=O)[O-] ZINC000095969843 402038253 /nfs/dbraw/zinc/03/82/53/402038253.db2.gz DHKIKJSUMVIXRC-AWEZNQCLSA-N -1 0 317.336 2.197 50 0 DEAARM O=S(=O)([N-]c1cccnc1Nc1ccccc1)c1c[nH]cn1 ZINC000096001673 402045409 /nfs/dbraw/zinc/04/54/09/402045409.db2.gz KFQSSUWJZJPKRZ-UHFFFAOYSA-N -1 0 315.358 2.349 50 0 DEAARM O=S(=O)([N-]c1nncn1Cc1ccccc1)c1cccs1 ZINC000096410845 402079932 /nfs/dbraw/zinc/07/99/32/402079932.db2.gz PSPNMTRYPDKMCA-UHFFFAOYSA-N -1 0 320.399 2.189 50 0 DEAARM C[C@@H](CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000096480539 402094009 /nfs/dbraw/zinc/09/40/09/402094009.db2.gz DWUVTROUVKBXIB-VIFPVBQESA-N -1 0 322.748 2.374 50 0 DEAARM CN(CC(=O)[O-])C(=O)c1cc(-c2cccnc2)nc2ccccc21 ZINC000153081945 402126008 /nfs/dbraw/zinc/12/60/08/402126008.db2.gz FZVJFROGDGJCNC-UHFFFAOYSA-N -1 0 321.336 2.453 50 0 DEAARM CC(C)(C)n1nc([C@H]2CCOC2)nc1CCc1cc(=O)[n-]o1 ZINC000097499645 402126111 /nfs/dbraw/zinc/12/61/11/402126111.db2.gz JAENSVNEOMDZSO-JTQLQIEISA-N -1 0 306.366 2.016 50 0 DEAARM CC(C)C[C@H]1CN(Cc2ccc(OCC(=O)[O-])cc2)CCO1 ZINC000097785359 402132721 /nfs/dbraw/zinc/13/27/21/402132721.db2.gz GLXZQAUXUWWBDJ-INIZCTEOSA-N -1 0 307.390 2.397 50 0 DEAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2cccnc2)c1=O ZINC000100602418 402141803 /nfs/dbraw/zinc/14/18/03/402141803.db2.gz HJRYWVDOHSMUML-UHFFFAOYSA-N -1 0 309.325 2.374 50 0 DEAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1 ZINC000101261242 402144299 /nfs/dbraw/zinc/14/42/99/402144299.db2.gz HTKJKSDXDYLSMD-GJZGRUSLSA-N -1 0 322.324 2.193 50 0 DEAARM CC[C@H](C(=O)N(C)C[C@H](C)c1nnn[n-]1)c1ccc(F)cc1 ZINC000124517494 402184065 /nfs/dbraw/zinc/18/40/65/402184065.db2.gz TZQYBFKVQIZOQV-GWCFXTLKSA-N -1 0 305.357 2.095 50 0 DEAARM NC(=O)c1cc(-n2c(CCC(=O)[O-])nc3ccccc32)cs1 ZINC000067878561 402177339 /nfs/dbraw/zinc/17/73/39/402177339.db2.gz HLGCGKXYTAMRIZ-UHFFFAOYSA-N -1 0 315.354 2.203 50 0 DEAARM CC(C)(C)C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(F)cc1 ZINC000069570950 402231561 /nfs/dbraw/zinc/23/15/61/402231561.db2.gz DOKPZYUMEXSQNV-NSHDSACASA-N -1 0 306.341 2.144 50 0 DEAARM O=C(Cc1ccc(F)cc1)[N-]S(=O)(=O)CCc1ccccc1 ZINC000069844031 402247024 /nfs/dbraw/zinc/24/70/24/402247024.db2.gz LSGQBTZPNCZJRM-UHFFFAOYSA-N -1 0 321.373 2.057 50 0 DEAARM CC(C)(C)c1noc(-c2ccnc(-n3cnc(C(=O)[O-])c3)c2)n1 ZINC000070451535 402260426 /nfs/dbraw/zinc/26/04/26/402260426.db2.gz JVVFJDJNJRIALP-UHFFFAOYSA-N -1 0 313.317 2.313 50 0 DEAARM C/C(=C/C(=O)N1CCO[C@@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000236627827 402369114 /nfs/dbraw/zinc/36/91/14/402369114.db2.gz UMLJHPBZABKQGD-CHOZFAJLSA-N -1 0 309.749 2.055 50 0 DEAARM O=C([O-])C1(NC(=O)Cc2ccccc2Br)CCC1 ZINC000238087353 402437426 /nfs/dbraw/zinc/43/74/26/402437426.db2.gz OJOIZLZQMNXKNP-UHFFFAOYSA-N -1 0 312.163 2.115 50 0 DEAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)C/C=C/c2ccc(F)cc2)C1 ZINC000263097974 402743579 /nfs/dbraw/zinc/74/35/79/402743579.db2.gz TXINIOSWCGPTGS-RCAFFNEUSA-N -1 0 321.348 2.179 50 0 DEAARM Cc1noc(C)c1C[C@@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000263304509 402756496 /nfs/dbraw/zinc/75/64/96/402756496.db2.gz VLWVEQJKRKBDPO-SSDOTTSWSA-N -1 0 308.359 2.412 50 0 DEAARM Cc1nc(C)c(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)nc1C ZINC000263473582 402772719 /nfs/dbraw/zinc/77/27/19/402772719.db2.gz YPNVTDCPDAHQAC-RDBSUJKOSA-N -1 0 317.389 2.260 50 0 DEAARM CO[C@@]1(C)CCCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000263578775 402783655 /nfs/dbraw/zinc/78/36/55/402783655.db2.gz TTWNTPWABITXER-KRWDZBQOSA-N -1 0 321.373 2.181 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)/C=C/c1cccnc1 ZINC000274792814 403088186 /nfs/dbraw/zinc/08/81/86/403088186.db2.gz QPHIJDNDOJJXFY-SLOKZKOWSA-N -1 0 300.358 2.339 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000268938636 403121511 /nfs/dbraw/zinc/12/15/11/403121511.db2.gz JPGXUKACHQUHRI-BZUAXINKSA-N -1 0 317.385 2.478 50 0 DEAARM O=C([O-])[C@@H]1C=CCN1C(=O)c1ccc(N2CCCCC2)cc1 ZINC000426444953 405359919 /nfs/dbraw/zinc/35/99/19/405359919.db2.gz NXKWQQWILOVHET-HNNXBMFYSA-N -1 0 300.358 2.142 50 0 DEAARM CCC[C@@H]1COCCN1C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426488358 405363573 /nfs/dbraw/zinc/36/35/73/405363573.db2.gz OFXLYWBKCPHICM-CYBMUJFWSA-N -1 0 307.346 2.035 50 0 DEAARM CC(C)c1nnc(CN(C)Cc2nc(=O)c3sccc3[n-]2)o1 ZINC000131798580 196199917 /nfs/dbraw/zinc/19/99/17/196199917.db2.gz ZXABNGSYEOAWCR-UHFFFAOYSA-N -1 0 319.390 2.123 50 0 DEAARM COC(=O)c1ccc(F)cc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000069674851 418488182 /nfs/dbraw/zinc/48/81/82/418488182.db2.gz VRUXOWHDYZCURW-UHFFFAOYSA-N -1 0 324.333 2.117 50 0 DEAARM COC(=O)c1ccc(F)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000048383587 424833174 /nfs/dbraw/zinc/83/31/74/424833174.db2.gz XDPGXURONKARCL-WDEREUQCSA-N -1 0 321.304 2.218 50 0 DEAARM CCCc1cc(=O)n2nc(CNc3ccc(F)cc3)[n-]c2n1 ZINC000101803274 424847312 /nfs/dbraw/zinc/84/73/12/424847312.db2.gz AALVVISVWPGTIG-UHFFFAOYSA-N -1 0 301.325 2.121 50 0 DEAARM CCn1nc(C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000659193181 425545234 /nfs/dbraw/zinc/54/52/34/425545234.db2.gz ITWYPJZTXPSSTQ-MELADBBJSA-N -1 0 319.405 2.317 50 0 DEAARM Cc1ccc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[n-]3)C2)c(Cl)c1 ZINC000334027290 269008561 /nfs/dbraw/zinc/00/85/61/269008561.db2.gz IAIPHQSUBJRHON-JTQLQIEISA-N -1 0 320.780 2.492 50 0 DEAARM CC(C)(C)n1nc(C(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cc1C1CC1 ZINC000095991973 278584775 /nfs/dbraw/zinc/58/47/75/278584775.db2.gz LVQGYHSYIXTXBM-NWDGAFQWSA-N -1 0 319.405 2.499 50 0 DEAARM Cn1c(=O)c2ccc(C(=O)N3CCCCCC3)cc2[n-]c1=S ZINC000102361397 279313645 /nfs/dbraw/zinc/31/36/45/279313645.db2.gz CRWTWLLZDRTQAY-UHFFFAOYSA-N -1 0 317.414 2.238 50 0 DEAARM CC(C)[S@](=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000136477616 280558010 /nfs/dbraw/zinc/55/80/10/280558010.db2.gz ZPMHYZKKBKPLBH-RCDICMHDSA-N -1 0 323.414 2.282 50 0 DEAARM CN1C(=O)[C@@H](C(=O)[O-])[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 ZINC000013517660 289856319 /nfs/dbraw/zinc/85/63/19/289856319.db2.gz JUWAKUBFCACRJR-PLNCSYRRSA-N -1 0 301.342 2.222 50 0 DEAARM CO[N-]C(=O)[C@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000408519400 293376662 /nfs/dbraw/zinc/37/66/62/293376662.db2.gz USXSTIUERRWGQZ-ZDUSSCGKSA-N -1 0 303.280 2.332 50 0 DEAARM Cc1nc2[n-]c(NC(=O)c3ccccc3F)nn2c(=O)c1Cl ZINC000008613526 293556689 /nfs/dbraw/zinc/55/66/89/293556689.db2.gz KPYOAMMNPQQETM-UHFFFAOYSA-N -1 0 321.699 2.183 50 0 DEAARM COc1c(C)cc(C(=O)N2C[C@@H](OC)C[C@H]2CC(=O)[O-])cc1C ZINC000262970309 294890081 /nfs/dbraw/zinc/89/00/81/294890081.db2.gz IRFYTGSJUCOEMP-KBPBESRZSA-N -1 0 321.373 2.016 50 0 DEAARM COc1cccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000032919332 295287532 /nfs/dbraw/zinc/28/75/32/295287532.db2.gz WZJWIGCQPGNHIA-MRXNPFEDSA-N -1 0 311.337 2.347 50 0 DEAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000240902760 295317456 /nfs/dbraw/zinc/31/74/56/295317456.db2.gz IVFDWKUYKMDZGN-KKUMJFAQSA-N -1 0 303.358 2.264 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c(C)c1 ZINC000003865030 301193465 /nfs/dbraw/zinc/19/34/65/301193465.db2.gz CVPVJQPGFMVOBQ-ZDUSSCGKSA-N -1 0 311.403 2.097 50 0 DEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC12CCOCC2 ZINC000237599518 302123289 /nfs/dbraw/zinc/12/32/89/302123289.db2.gz AMTIWJRPUJPCQD-HUUCEWRRSA-N -1 0 317.385 2.444 50 0 DEAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCCC2)c1C(=O)[O-] ZINC000036358291 302901864 /nfs/dbraw/zinc/90/18/64/302901864.db2.gz VHVMSPQJYMTQFR-AWEZNQCLSA-N -1 0 302.330 2.098 50 0 DEAARM Cc1nc2sc3c(c2c2nc(CCC(=O)[O-])nn21)CCC3 ZINC000016393265 332157251 /nfs/dbraw/zinc/15/72/51/332157251.db2.gz VNWVNJDXVTWLSA-UHFFFAOYSA-N -1 0 302.359 2.153 50 0 DEAARM COc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000007052958 333002538 /nfs/dbraw/zinc/00/25/38/333002538.db2.gz PUJLACZDEPWMHJ-UHFFFAOYSA-N -1 0 307.327 2.194 50 0 DEAARM Cc1c(CN2C[C@H](O)C[C@H]2C(=O)[O-])[nH]c2c1cccc2Cl ZINC000534666165 334318801 /nfs/dbraw/zinc/31/88/01/334318801.db2.gz PRSPNTSUIXQZBS-RNCFNFMXSA-N -1 0 308.765 2.150 50 0 DEAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000299743576 533739791 /nfs/dbraw/zinc/73/97/91/533739791.db2.gz LKUZQVFEKPANMC-ZQIUZPCESA-N -1 0 303.358 2.122 50 0 DEAARM O=C([O-])CN(C(=O)[C@H]1CCCc2ccccc21)C1CCOCC1 ZINC000299753141 534498294 /nfs/dbraw/zinc/49/82/94/534498294.db2.gz WZNQNQIRIINMQA-INIZCTEOSA-N -1 0 317.385 2.199 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)c2cccc3c2OCCO3)c1 ZINC000299741939 534549425 /nfs/dbraw/zinc/54/94/25/534549425.db2.gz HVJUWLVYKRBXLM-UHFFFAOYSA-N -1 0 313.309 2.086 50 0 DEAARM COC(=O)C[C@H](c1c(=O)nc2ccc(Cl)cn2c1[O-])C(C)C ZINC000205979721 563592558 /nfs/dbraw/zinc/59/25/58/563592558.db2.gz GQSYZEJYZCRNPD-JTQLQIEISA-N -1 0 324.764 2.356 50 0 DEAARM C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(=O)[O-] ZINC000206414482 602242820 /nfs/dbraw/zinc/24/28/20/602242820.db2.gz FRKPJPGPVCOENO-LLVKDONJSA-N -1 0 321.336 2.500 50 0 DEAARM O=C([O-])[C@@H]1C[C@H](C(F)(F)F)CCN1C(=O)OCCCF ZINC000952994314 635216329 /nfs/dbraw/zinc/21/63/29/635216329.db2.gz ZFCQFKWORLXOIK-SFYZADRCSA-N -1 0 301.236 2.210 50 0 DEAARM COc1cccc2c1CC[C@]2(NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000585164342 635717815 /nfs/dbraw/zinc/71/78/15/635717815.db2.gz ZUYKNUHAOCTFCM-MRXNPFEDSA-N -1 0 307.346 2.446 50 0 DEAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000033340738 648006022 /nfs/dbraw/zinc/00/60/22/648006022.db2.gz 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/nfs/dbraw/zinc/36/14/73/185361473.db2.gz MMOSKOSITJGVEQ-UHFFFAOYSA-N -1 0 309.337 2.090 50 0 DEAARM COc1cc(CCC(=O)N[C@H](CC(C)C)C(=O)[O-])cc(OC)c1 ZINC000095427726 185362030 /nfs/dbraw/zinc/36/20/30/185362030.db2.gz XQQDUMRRSMNMEX-OAHLLOKOSA-N -1 0 323.389 2.252 50 0 DEAARM CC[C@H](NC=C1C(=O)N(c2ccc(Cl)cc2)N=C1C)C(=O)[O-] ZINC000095470965 185372635 /nfs/dbraw/zinc/37/26/35/185372635.db2.gz UBHYXVBWPGSTLS-RPHSKFLZSA-N -1 0 321.764 2.399 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)CCn2ccc3ccccc32)C1 ZINC000097039287 185401646 /nfs/dbraw/zinc/40/16/46/185401646.db2.gz KELRSURPNUVYQS-KGLIPLIRSA-N -1 0 300.358 2.401 50 0 DEAARM C[C@@H](C(=O)[O-])N(CNC(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC000002541728 295801816 /nfs/dbraw/zinc/80/18/16/295801816.db2.gz XJFVMNFBUVUCPX-VIFPVBQESA-N -1 0 318.370 2.179 50 0 DEAARM CC(C)[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000000142791 180706468 /nfs/dbraw/zinc/70/64/68/180706468.db2.gz GFCPZHIUZCLSNZ-CQSZACIVSA-N -1 0 307.371 2.227 50 0 DEAARM O=C([O-])CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1 ZINC000000781734 180832971 /nfs/dbraw/zinc/83/29/71/180832971.db2.gz QTKDRUABFJMKRT-UHFFFAOYSA-N -1 0 302.286 2.335 50 0 DEAARM CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000316918472 282878766 /nfs/dbraw/zinc/87/87/66/282878766.db2.gz WNVXNXUVWSOBHV-JKEYDSJLSA-N -1 0 303.358 2.422 50 0 DEAARM Cn1cc(/C=C2/SC(=O)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000002451954 180924435 /nfs/dbraw/zinc/92/44/35/180924435.db2.gz UOLGOYBYRKWVCL-WUXMJOGZSA-N -1 0 316.338 2.299 50 0 DEAARM Cc1ccc(/C=C/S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000003440448 181020267 /nfs/dbraw/zinc/02/02/67/181020267.db2.gz HCMXATFRTFVUEC-DHZHZOJOSA-N -1 0 309.387 2.092 50 0 aggregator DEAARM CCC(=O)NCCc1c2cc(C(C)=O)ccc2[nH]c1C(=O)[O-] ZINC000005427973 353994622 /nfs/dbraw/zinc/99/46/22/353994622.db2.gz SVCGTTNXIGCZND-UHFFFAOYSA-N -1 0 302.330 2.137 50 0 DEAARM Cc1ccc(-c2nc(N)[nH]c(=O)c2CCCCC(=O)[O-])cc1 ZINC000019862337 354045312 /nfs/dbraw/zinc/04/53/12/354045312.db2.gz 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/nfs/dbraw/zinc/21/10/73/181211073.db2.gz JZYJQTDOZJEOCW-UHFFFAOYSA-N -1 0 300.362 2.119 50 0 DEAARM O=C(NCCc1n[n-]c(=S)o1)C1(c2ccc(Cl)cc2)CC1 ZINC000170599095 355987618 /nfs/dbraw/zinc/98/76/18/355987618.db2.gz QZIIFYYYIGPAAD-UHFFFAOYSA-N -1 0 323.805 2.402 50 0 DEAARM Cc1ccc(C[C@H](CO)NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000170605333 355988576 /nfs/dbraw/zinc/98/85/76/355988576.db2.gz QBXGRWQMSLCYHH-CYBMUJFWSA-N -1 0 321.323 2.312 50 0 DEAARM CCC(=O)[N-]S(=O)(=O)c1cc(C)c(C)c(Br)c1 ZINC000193617728 356227930 /nfs/dbraw/zinc/22/79/30/356227930.db2.gz HIGRQEPZPDMTCK-UHFFFAOYSA-N -1 0 320.208 2.281 50 0 DEAARM C[C@H](CN(C(=O)c1ccc(-n2cccn2)cc1)C1CC1)C(=O)[O-] ZINC000195552035 356256312 /nfs/dbraw/zinc/25/63/12/356256312.db2.gz LZQLEBJUBZLDGU-GFCCVEGCSA-N -1 0 313.357 2.198 50 0 DEAARM C[C@H](CN(C(=O)c1ccc(Br)o1)C1CC1)C(=O)[O-] ZINC000195551926 356256428 /nfs/dbraw/zinc/25/64/28/356256428.db2.gz CPWGNJDDGOYKRE-SSDOTTSWSA-N -1 0 316.151 2.367 50 0 DEAARM CCc1ccc([C@@H](C)CC(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000236950050 202088776 /nfs/dbraw/zinc/08/87/76/202088776.db2.gz QNJPACPAWIUBQF-WFASDCNBSA-N -1 0 305.374 2.055 50 0 DEAARM CCOC[C@H]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)C1 ZINC000236980523 202106868 /nfs/dbraw/zinc/10/68/68/202106868.db2.gz INSRZNFTWLCBCC-GPAKFWEMSA-N -1 0 303.358 2.283 50 0 DEAARM COc1ccccc1CC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237121911 202159356 /nfs/dbraw/zinc/15/93/56/202159356.db2.gz RESFBYUBSKBZES-AWEZNQCLSA-N -1 0 305.374 2.484 50 0 DEAARM COCC1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000237152190 202168537 /nfs/dbraw/zinc/16/85/37/202168537.db2.gz VZPOOFVMBIFLIC-UHFFFAOYSA-N -1 0 305.374 2.202 50 0 DEAARM C[C@@H](CN(C)C(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)[O-] ZINC000237398259 202254871 /nfs/dbraw/zinc/25/48/71/202254871.db2.gz DTRQOQUQKLLETM-GXSJLCMTSA-N -1 0 311.765 2.070 50 0 DEAARM C[C@@H](CN(C(=O)C1=Cc2ccccc2OC1)C1CC1)C(=O)[O-] ZINC000237427369 202262644 /nfs/dbraw/zinc/26/26/44/202262644.db2.gz 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ZINC000669434131 540832682 /nfs/dbraw/zinc/83/26/82/540832682.db2.gz KDPXDXYENYLSCT-YRGRVCCFSA-N -1 0 303.358 2.407 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CCC(F)(F)F)C[C@H]1c1ccncc1 ZINC000091321451 193041030 /nfs/dbraw/zinc/04/10/30/193041030.db2.gz GWQRJBYXONGIEN-WDEREUQCSA-N -1 0 316.279 2.051 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)c2cnn(CC3CC3)c2)c2ccccc21 ZINC000630170780 367514206 /nfs/dbraw/zinc/51/42/06/367514206.db2.gz OHEPFCCEJVXMLG-AWEZNQCLSA-N -1 0 311.341 2.122 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1n[nH]c2ccccc21 ZINC000262555249 304147811 /nfs/dbraw/zinc/14/78/11/304147811.db2.gz UBARREDLXINGEU-SWHYSGLUSA-N -1 0 313.357 2.421 50 0 DEAARM Cc1cc(NC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1OC1CCOCC1 ZINC000262468969 203301631 /nfs/dbraw/zinc/30/16/31/203301631.db2.gz ZMZOQBHOXGQKBR-KBPBESRZSA-N -1 0 319.357 2.212 50 0 DEAARM CCN(C(=O)CN1CCC[C@@H]1C(=O)[O-])[C@H](C)c1ccc(F)cc1 ZINC000294473294 284151939 /nfs/dbraw/zinc/15/19/39/284151939.db2.gz WDVLHDFVPBLJQD-IUODEOHRSA-N -1 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/nfs/dbraw/zinc/05/88/39/182058839.db2.gz HDQDXDVOCXFYFH-FLIBITNWSA-N -1 0 307.327 2.206 50 0 DEAARM COc1ccc(OC)c([C@@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000017031951 182069907 /nfs/dbraw/zinc/06/99/07/182069907.db2.gz SCFRHQVACYLNRB-GHMZBOCLSA-N -1 0 309.362 2.382 50 0 DEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2c1OCCO2 ZINC000055151429 304176000 /nfs/dbraw/zinc/17/60/00/304176000.db2.gz PPDFIIFXPDURIG-MNOVXSKESA-N -1 0 303.314 2.063 50 0 DEAARM CC(C)CN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019880936 182160081 /nfs/dbraw/zinc/16/00/81/182160081.db2.gz BFYPNOCSODCUBO-GFCCVEGCSA-N -1 0 307.371 2.260 50 0 DEAARM CNS(=O)(=O)c1ccc2c(Cl)c(C(=O)[O-])sc2c1 ZINC000020285112 182203238 /nfs/dbraw/zinc/20/32/38/182203238.db2.gz QMIAPORYSJGFDL-UHFFFAOYSA-N -1 0 305.764 2.161 50 0 DEAARM Cc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCC(C(=O)[O-])CC3)c2c1 ZINC000020744461 182245725 /nfs/dbraw/zinc/24/57/25/182245725.db2.gz YQBNJHNBPCWYAN-OAHLLOKOSA-N -1 0 316.357 2.399 50 0 DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2C)n[nH]1 ZINC000021096299 182265535 /nfs/dbraw/zinc/26/55/35/182265535.db2.gz FEGNUKRRXJGKFX-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM O=C([O-])c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 ZINC000021802067 182290616 /nfs/dbraw/zinc/29/06/16/182290616.db2.gz GHDXXAICFBFECN-UHFFFAOYSA-N -1 0 305.355 2.004 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000136135222 304183450 /nfs/dbraw/zinc/18/34/50/304183450.db2.gz AIVCTQZPIYKVQR-JSGCOSHPSA-N -1 0 305.399 2.340 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000238081900 304186672 /nfs/dbraw/zinc/18/66/72/304186672.db2.gz FUMQDMLOGOYTKK-CQSZACIVSA-N -1 0 317.389 2.151 50 0 DEAARM Cc1ccccc1NC(=O)c1nnc(CSCC(=O)[O-])s1 ZINC000034927227 182745379 /nfs/dbraw/zinc/74/53/79/182745379.db2.gz CEASZCUYVLKWMV-UHFFFAOYSA-N -1 0 323.399 2.417 50 0 DEAARM COc1cc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])cc(OC)c1 ZINC000491936675 248977776 /nfs/dbraw/zinc/97/77/76/248977776.db2.gz HSWPQAFUKWSWHR-XHPSBEMXSA-N -1 0 319.357 2.183 50 0 DEAARM CC(C)(C)c1cc([N-]C(=O)c2nc(-c3cnccn3)no2)on1 ZINC000042381585 183262122 /nfs/dbraw/zinc/26/21/22/183262122.db2.gz JAJFWAIDRCWOSI-UHFFFAOYSA-N -1 0 314.305 2.064 50 0 DEAARM COCC(=O)Nc1ccc(N2CCCCCC2)cc1C(=O)[O-] ZINC000045967558 183541622 /nfs/dbraw/zinc/54/16/22/183541622.db2.gz GUUNTQMAOASHPH-UHFFFAOYSA-N -1 0 306.362 2.350 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000268945609 207109045 /nfs/dbraw/zinc/10/90/45/207109045.db2.gz MKWXDTIMLLFXPA-MVWJERBFSA-N -1 0 300.314 2.240 50 0 DEAARM CCCNC(=O)[C@H](C)Sc1nc2ccc(F)cc2c(=O)[nH]1 ZINC000058432857 184117637 /nfs/dbraw/zinc/11/76/37/184117637.db2.gz INQFTPFNSIHZKN-QMMMGPOBSA-N -1 0 309.366 2.481 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(F)cc2Br)C1 ZINC000062117315 184206426 /nfs/dbraw/zinc/20/64/26/184206426.db2.gz QSMRMRFYMSCZMZ-ZETCQYMHSA-N -1 0 316.126 2.135 50 0 DEAARM O=C([O-])c1ccc2c(cnn2CC(=O)N2CCCCCC2)c1 ZINC000065321060 184325033 /nfs/dbraw/zinc/32/50/33/184325033.db2.gz IPPGKACNADKNLM-UHFFFAOYSA-N -1 0 301.346 2.137 50 0 DEAARM C[C@](NC(=O)NCc1cccc(F)c1)(C(=O)[O-])c1ccco1 ZINC000065554036 184365672 /nfs/dbraw/zinc/36/56/72/184365672.db2.gz TZIOZOTVRMPCMC-OAHLLOKOSA-N -1 0 306.293 2.218 50 0 DEAARM Cc1ccccc1CC(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000237710173 257238588 /nfs/dbraw/zinc/23/85/88/257238588.db2.gz XYAOOTCDTJTEFS-UHFFFAOYSA-N -1 0 305.374 2.020 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)OCO2 ZINC000262102264 145261684 /nfs/dbraw/zinc/26/16/84/145261684.db2.gz CKMLDERPILNPOF-ZDUSSCGKSA-N -1 0 319.357 2.204 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H]2CC(=O)[O-])n1 ZINC000262925113 145311355 /nfs/dbraw/zinc/31/13/55/145311355.db2.gz KURZOQQRHNTKDH-LLVKDONJSA-N -1 0 323.393 2.156 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1F ZINC000007401961 401739557 /nfs/dbraw/zinc/73/95/57/401739557.db2.gz QJCYUZCRSWSPNW-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM O=C([O-])c1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 ZINC000000098501 401687977 /nfs/dbraw/zinc/68/79/77/401687977.db2.gz GCLQRRKSNUDMPL-CYBMUJFWSA-N -1 0 312.325 2.174 50 0 DEAARM O=C(Oc1ccc(/C=C2\NC(=O)[N-]C2=O)cc1)c1ccccc1 ZINC000000093351 401688003 /nfs/dbraw/zinc/68/80/03/401688003.db2.gz NDNDCODUYPTCDM-UVTDQMKNSA-N -1 0 308.293 2.086 50 0 DEAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000000133697 401688404 /nfs/dbraw/zinc/68/84/04/401688404.db2.gz SBHJWGVUVFVDMN-JTQLQIEISA-N -1 0 324.185 2.231 50 0 DEAARM CC(C)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000166225 401688744 /nfs/dbraw/zinc/68/87/44/401688744.db2.gz OBAXKZOSVQFXHA-NSHDSACASA-N -1 0 305.783 2.118 50 0 DEAARM O=C([O-])c1nccnc1C(=O)Nc1ccc(Br)cc1 ZINC000000175783 401688999 /nfs/dbraw/zinc/68/89/99/401688999.db2.gz CYRVLMAAJHPIPQ-UHFFFAOYSA-N -1 0 322.118 2.190 50 0 DEAARM COc1cc(S(=O)(=O)[N-]c2ccccc2)c(OC)cc1N ZINC000000410311 401696639 /nfs/dbraw/zinc/69/66/39/401696639.db2.gz NFYQAEPHDGXJSY-UHFFFAOYSA-N -1 0 308.359 2.087 50 0 DEAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000001472294 401707763 /nfs/dbraw/zinc/70/77/63/401707763.db2.gz DHYQCHGTXGSQDV-SSDOTTSWSA-N -1 0 309.796 2.029 50 0 DEAARM COc1cc(/C=C/C(=O)[O-])cc(I)c1O ZINC000002149637 401712113 /nfs/dbraw/zinc/71/21/13/401712113.db2.gz JQIZBHHUQWUZTA-NSCUHMNNSA-N -1 0 320.082 2.103 50 0 DEAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1nc2ccc(C)cc2s1 ZINC000002804101 401719200 /nfs/dbraw/zinc/71/92/00/401719200.db2.gz CLXABQSDUNPNDP-UHFFFAOYSA-N -1 0 322.415 2.447 50 0 DEAARM Cc1c(C)n(Cc2ccco2)c2ncnc(NCC(=O)[O-])c12 ZINC000009970655 401767317 /nfs/dbraw/zinc/76/73/17/401767317.db2.gz MJZQJGBTMVOFAM-UHFFFAOYSA-N -1 0 300.318 2.186 50 0 DEAARM O=S(=O)([N-]c1ncccn1)c1ccc(OC(F)(F)F)cc1 ZINC000010342308 401769697 /nfs/dbraw/zinc/76/96/97/401769697.db2.gz ICMKVAYZDHTRPU-UHFFFAOYSA-N -1 0 319.264 2.176 50 0 DEAARM CCCCc1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000011535502 401774840 /nfs/dbraw/zinc/77/48/40/401774840.db2.gz JXYOTJSFNUMUDH-UHFFFAOYSA-N -1 0 318.402 2.238 50 0 DEAARM CCCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1OC ZINC000011767311 401776074 /nfs/dbraw/zinc/77/60/74/401776074.db2.gz TZAOTEVRHWUWBZ-WFASDCNBSA-N -1 0 321.373 2.478 50 0 DEAARM O=C([O-])[C@H]1CCCN1c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000012357719 401784041 /nfs/dbraw/zinc/78/40/41/401784041.db2.gz JRKYPQASRSOLIZ-SECBINFHSA-N -1 0 301.268 2.426 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)[O-] ZINC000012664390 401789469 /nfs/dbraw/zinc/78/94/69/401789469.db2.gz SNVWKLNNEVZRDS-BONVTDFDSA-N -1 0 318.373 2.416 50 0 biogenic DEAARM CN(Cc1ccsc1)S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000012916225 401793367 /nfs/dbraw/zinc/79/33/67/401793367.db2.gz AZXAUGQLLLQWSA-UHFFFAOYSA-N -1 0 317.413 2.329 50 0 DEAARM O=C(NCCc1nnc2ccccn21)c1ccc([O-])c(Cl)c1 ZINC000012914825 401793369 /nfs/dbraw/zinc/79/33/69/401793369.db2.gz VZMMQAQXVVTGOD-UHFFFAOYSA-N -1 0 316.748 2.061 50 0 DEAARM O=C([O-])c1csc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000015243426 401816265 /nfs/dbraw/zinc/81/62/65/401816265.db2.gz KGSZRDLOXOOXET-UHFFFAOYSA-N -1 0 309.368 2.198 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000040714841 401926378 /nfs/dbraw/zinc/92/63/78/401926378.db2.gz XPSVZQYBIWQLRI-AVGNSLFASA-N -1 0 319.361 2.099 50 0 DEAARM Cc1nc(-c2ccccc2F)sc1C(=O)N[C@H](C)C(=O)[O-] ZINC000033453502 401890934 /nfs/dbraw/zinc/89/09/34/401890934.db2.gz KDGBDNQATGBXJY-MRVPVSSYSA-N -1 0 308.334 2.461 50 0 DEAARM O=C([O-])CNC(=O)Cc1csc(-c2cccc(Cl)c2)n1 ZINC000036357075 401904160 /nfs/dbraw/zinc/90/41/60/401904160.db2.gz VENDQAUDVFSPCY-UHFFFAOYSA-N -1 0 310.762 2.207 50 0 DEAARM O=C([O-])[C@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000037359295 401912390 /nfs/dbraw/zinc/91/23/90/401912390.db2.gz AETUWZOWSACGEX-NSHDSACASA-N -1 0 305.252 2.043 50 0 biogenic DEAARM C[C@H](CC(=O)N1CCC[C@H](c2nnn[n-]2)C1)c1ccccc1F ZINC000089894507 401971598 /nfs/dbraw/zinc/97/15/98/401971598.db2.gz LCSUJUCJPCFWMN-NEPJUHHUSA-N -1 0 317.368 2.239 50 0 DEAARM Nc1cc(S(=O)(=O)C(F)(F)F)cc(Br)c1[O-] ZINC000094986260 402023561 /nfs/dbraw/zinc/02/35/61/402023561.db2.gz YCSGJJBOTKNWMT-UHFFFAOYSA-N -1 0 320.086 2.030 50 0 DEAARM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3c[nH]cn3)nc21 ZINC000095960543 402037443 /nfs/dbraw/zinc/03/74/43/402037443.db2.gz CNGJAPKCLUQYLH-UHFFFAOYSA-N -1 0 308.388 2.437 50 0 DEAARM O=C([O-])CCN(C(=O)c1ccc2[nH]ccc2c1)C1CCOCC1 ZINC000095970184 402038317 /nfs/dbraw/zinc/03/83/17/402038317.db2.gz YLTLPOOKMUDZQK-UHFFFAOYSA-N -1 0 316.357 2.264 50 0 DEAARM C[C@](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)(C(=O)[O-])C1CC1 ZINC000096494284 402096441 /nfs/dbraw/zinc/09/64/41/402096441.db2.gz HWUBBWGUEBGPTL-YNHOBRIKSA-N -1 0 309.312 2.438 50 0 DEAARM C[C@@H](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])n1cccc1 ZINC000097017898 402100315 /nfs/dbraw/zinc/10/03/15/402100315.db2.gz OYYNDUHJAPAFPM-XJKSGUPXSA-N -1 0 312.369 2.477 50 0 DEAARM O=C([O-])[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1F ZINC000097036405 402100701 /nfs/dbraw/zinc/10/07/01/402100701.db2.gz ZHIFKPLJQMLUKN-HNNXBMFYSA-N -1 0 305.280 2.449 50 0 DEAARM O=S(=O)(Cc1ccccc1)[N-]c1ncn(-c2ccccc2)n1 ZINC000097082371 402105077 /nfs/dbraw/zinc/10/50/77/402105077.db2.gz DYXIPLFJFHQIOA-UHFFFAOYSA-N -1 0 314.370 2.209 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncc(Cl)cn1 ZINC000097094780 402106797 /nfs/dbraw/zinc/10/67/97/402106797.db2.gz LHWRQODXXZNYII-UHFFFAOYSA-N -1 0 307.766 2.064 50 0 DEAARM CCn1ccnc1CN(C)[C@H](C(=O)[O-])c1cc(C)ccc1OC ZINC000063868946 402116197 /nfs/dbraw/zinc/11/61/97/402116197.db2.gz TXMGIGSEHSOPLO-INIZCTEOSA-N -1 0 317.389 2.478 50 0 DEAARM Cc1cn(C)c(CC(=O)Nc2cc(F)ccc2F)c1C(=O)[O-] ZINC000064980586 402122394 /nfs/dbraw/zinc/12/23/94/402122394.db2.gz RMUBFPMWXODBBH-UHFFFAOYSA-N -1 0 308.284 2.491 50 0 DEAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1 ZINC000101261248 402144252 /nfs/dbraw/zinc/14/42/52/402144252.db2.gz HTKJKSDXDYLSMD-HUUCEWRRSA-N -1 0 322.324 2.193 50 0 DEAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000101167590 402144326 /nfs/dbraw/zinc/14/43/26/402144326.db2.gz KPYRKUGYFUPUSX-HOTGVXAUSA-N -1 0 320.352 2.488 50 0 DEAARM Cc1ccsc1CN(C)C(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000067774800 402172669 /nfs/dbraw/zinc/17/26/69/402172669.db2.gz KIBNZXJZUKLTFT-UHFFFAOYSA-N -1 0 324.431 2.006 50 0 DEAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1cccs1 ZINC000069594400 402232946 /nfs/dbraw/zinc/23/29/46/402232946.db2.gz FIIPPRYQOSXDMQ-UHFFFAOYSA-N -1 0 318.379 2.415 50 0 DEAARM O=C([O-])CCCCNC(=O)Cc1cccc(Br)c1 ZINC000070199921 402259046 /nfs/dbraw/zinc/25/90/46/402259046.db2.gz WLLPHPBHVQRRMO-UHFFFAOYSA-N -1 0 314.179 2.363 50 0 DEAARM Cc1nnc(-c2ccccc2NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)o1 ZINC000071285507 402272128 /nfs/dbraw/zinc/27/21/28/402272128.db2.gz ZPNIIJWHFZXZBC-NWDGAFQWSA-N -1 0 315.329 2.340 50 0 DEAARM Cc1cc2c(c(=O)o1)[C@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000217956496 402294411 /nfs/dbraw/zinc/29/44/11/402294411.db2.gz CNQAMSYKSMCPKJ-NSHDSACASA-N -1 0 300.266 2.087 50 0 biogenic DEAARM C[C@@H]1CN(C(=O)C[C@@H](CC(=O)[O-])c2cccs2)C[C@H](C)O1 ZINC000223125201 402309687 /nfs/dbraw/zinc/30/96/87/402309687.db2.gz LPIKQIJUIMAKEN-TUAOUCFPSA-N -1 0 311.403 2.332 50 0 DEAARM CC(C)C[C@H](NC(=O)Cc1cc(-c2ccccc2)on1)C(=O)[O-] ZINC000236599750 402367635 /nfs/dbraw/zinc/36/76/35/402367635.db2.gz QDBCKSUQUFGWHZ-AWEZNQCLSA-N -1 0 316.357 2.500 50 0 DEAARM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000226934503 402329963 /nfs/dbraw/zinc/32/99/63/402329963.db2.gz ADMWFFKOZSQJTG-OTYXRUKQSA-N -1 0 320.320 2.229 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1F ZINC000237306107 402403458 /nfs/dbraw/zinc/40/34/58/402403458.db2.gz ZRTHTJFTSWPZGO-MQDFFIGUSA-N -1 0 307.321 2.171 50 0 DEAARM Cc1nc(N[C@@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000244852640 402450199 /nfs/dbraw/zinc/45/01/99/402450199.db2.gz UWDUEXLYAHUNDC-GBIKHYSHSA-N -1 0 320.780 2.463 50 0 DEAARM Cc1nc(C2CCCC2)sc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237613950 402415437 /nfs/dbraw/zinc/41/54/37/402415437.db2.gz ZYQUIJWACBUASQ-NSHDSACASA-N -1 0 324.402 2.035 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000237950906 402427190 /nfs/dbraw/zinc/42/71/90/402427190.db2.gz HSNKNQYMIKPZFR-LBPRGKRZSA-N -1 0 309.337 2.308 50 0 DEAARM Cc1nc(C)c(S(=O)(=O)[N-]c2cccnc2N(C)C)s1 ZINC000170600126 402506581 /nfs/dbraw/zinc/50/65/81/402506581.db2.gz DURAFGVRVBRDEX-UHFFFAOYSA-N -1 0 312.420 2.022 50 0 DEAARM CCCn1[nH]ccc1=NC(=O)CN(C)[C@@H](CC)c1ccncc1 ZINC000254825173 402671992 /nfs/dbraw/zinc/67/19/92/402671992.db2.gz FLZRWPPRUVMOAH-HNNXBMFYSA-N -1 0 315.421 2.132 50 0 DEAARM CN(Cc1ccccc1OC(F)(F)F)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262627124 402728406 /nfs/dbraw/zinc/72/84/06/402728406.db2.gz NUEBCEOLTSHEQS-VHSXEESVSA-N -1 0 317.263 2.264 50 0 DEAARM C[C@@H]1CC[C@@H](CCC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)O1 ZINC000262988784 402739619 /nfs/dbraw/zinc/73/96/19/402739619.db2.gz LGGUSMLRKRZNGZ-GBIKHYSHSA-N -1 0 323.311 2.200 50 0 DEAARM CO[C@@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000192846258 402753438 /nfs/dbraw/zinc/75/34/38/402753438.db2.gz NFCGGVBMVGCSCY-MRXNPFEDSA-N -1 0 313.353 2.431 50 0 DEAARM O=C([O-])c1cccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)c1 ZINC000263531079 402778521 /nfs/dbraw/zinc/77/85/21/402778521.db2.gz MJWFCPOSNORZEK-HNNXBMFYSA-N -1 0 303.358 2.416 50 0 DEAARM O=C([O-])C1(CNC(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000263537794 402778961 /nfs/dbraw/zinc/77/89/61/402778961.db2.gz PJLZMYTWEMIHLR-UHFFFAOYSA-N -1 0 306.749 2.345 50 0 DEAARM O=C([O-])c1ccc(CN2CCN(c3ncccc3F)CC2)cc1 ZINC000263578907 402783695 /nfs/dbraw/zinc/78/36/95/402783695.db2.gz TYLZFXZEWRKNCU-UHFFFAOYSA-N -1 0 315.348 2.241 50 0 DEAARM Cc1cnn(CCC(=O)Nc2cccc([C@H](C)C(=O)[O-])c2)c1 ZINC000414458058 404639727 /nfs/dbraw/zinc/63/97/27/404639727.db2.gz VWDYROUSBQRWOQ-LBPRGKRZSA-N -1 0 301.346 2.408 50 0 DEAARM Cn1nc(-c2ccccc2)cc1C(=O)N1CCC[C@@]1(C)C(=O)[O-] ZINC000426544978 405368321 /nfs/dbraw/zinc/36/83/21/405368321.db2.gz HTACOKXPKDTWNV-KRWDZBQOSA-N -1 0 313.357 2.166 50 0 DEAARM COc1ccc2[nH]c(C(=O)NC3(C(=O)[O-])CCC3)c(C)c2c1 ZINC000426545058 405368482 /nfs/dbraw/zinc/36/84/82/405368482.db2.gz LXBBVIQFEBYLDA-UHFFFAOYSA-N -1 0 302.330 2.222 50 0 DEAARM CC(C)[C@H](CC(=O)[O-])NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000426624775 405371568 /nfs/dbraw/zinc/37/15/68/405371568.db2.gz NXOHBLDRNXRGRX-LBPRGKRZSA-N -1 0 324.425 2.348 50 0 DEAARM COc1cc(F)ccc1[N-]S(=O)(=O)CC1(OC)CCC1 ZINC000585118841 405869801 /nfs/dbraw/zinc/86/98/01/405869801.db2.gz DXEDVRNOWKFBCN-UHFFFAOYSA-N -1 0 303.355 2.145 50 0 DEAARM CC[C@@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662768 286785336 /nfs/dbraw/zinc/78/53/36/286785336.db2.gz BHDBPJHBGXHANO-SNVBAGLBSA-N -1 0 300.358 2.182 50 0 biogenic DEAARM O=C(/C=C/c1ccc(C(=O)[O-])cc1)NCCc1nccs1 ZINC000137098623 196564846 /nfs/dbraw/zinc/56/48/46/196564846.db2.gz NFIQFVZIBOPGBR-ZZXKWVIFSA-N -1 0 302.355 2.213 50 0 DEAARM O=C([O-])c1nccnc1C(=O)Nc1nc2ccccc2s1 ZINC000031815433 418413405 /nfs/dbraw/zinc/41/34/05/418413405.db2.gz LMBWCTMUDBICCO-UHFFFAOYSA-N -1 0 300.299 2.037 50 0 DEAARM C[C@H](C(=O)[O-])[S@](=O)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000408520172 227240301 /nfs/dbraw/zinc/24/03/01/227240301.db2.gz PDABSEXZJWAAAG-VERVWZFWSA-N -1 0 323.414 2.035 50 0 DEAARM C[C@@H](CN(C)C(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000299363853 229074722 /nfs/dbraw/zinc/07/47/22/229074722.db2.gz OFYOZRXVRBCQKO-WFASDCNBSA-N -1 0 321.373 2.037 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1cccc(F)c1 ZINC000102820801 424848151 /nfs/dbraw/zinc/84/81/51/424848151.db2.gz JLZGUCWAEPHDCQ-UONOGXRCSA-N -1 0 310.288 2.324 50 0 DEAARM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)Cc1ccccc1Cl ZINC000650232785 424967028 /nfs/dbraw/zinc/96/70/28/424967028.db2.gz NCMGVQQRFSUZCD-BXKDBHETSA-N -1 0 317.794 2.107 50 0 DEAARM CC(C)[C@@H]1CCO[C@@H]1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000649239738 424975218 /nfs/dbraw/zinc/97/52/18/424975218.db2.gz BBSFBGNZINBRLC-GJZGRUSLSA-N -1 0 305.374 2.105 50 0 DEAARM CCn1nc(C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000659193175 425545380 /nfs/dbraw/zinc/54/53/80/425545380.db2.gz ITWYPJZTXPSSTQ-IHRRRGAJSA-N -1 0 319.405 2.317 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(c2ccc(C(=O)[O-])cc2)CC1 ZINC000002527255 278400191 /nfs/dbraw/zinc/40/01/91/278400191.db2.gz BEDWYXZFIYMEJG-UHFFFAOYSA-N -1 0 306.362 2.442 50 0 DEAARM CC(C)(C)[C@H]1CCc2nc(NC(=O)c3n[nH]c(=O)[n-]3)sc2C1 ZINC000097047650 278548675 /nfs/dbraw/zinc/54/86/75/278548675.db2.gz MNSQBIDCGYNASR-ZETCQYMHSA-N -1 0 321.406 2.370 50 0 DEAARM C[C@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102347877 279647377 /nfs/dbraw/zinc/64/73/77/279647377.db2.gz IPJSWVCJMACWHG-JTQLQIEISA-N -1 0 317.414 2.237 50 0 DEAARM CC1(C)CN(c2cccc(C(=O)[O-])n2)C[C@H](C(F)(F)F)O1 ZINC000263387836 281268297 /nfs/dbraw/zinc/26/82/97/281268297.db2.gz FIOWXJRFZWGJAJ-SECBINFHSA-N -1 0 304.268 2.326 50 0 DEAARM CS(=O)(=O)c1ccc(-c2cn3cc(C(=O)[O-])ccc3n2)cc1 ZINC000001395477 295555247 /nfs/dbraw/zinc/55/52/47/295555247.db2.gz FYMLPOXBAZJDJK-UHFFFAOYSA-N -1 0 316.338 2.103 50 0 DEAARM Cc1cc(OCC(=O)N2CCC[C@@H]2CC(=O)[O-])ccc1Cl ZINC000042144922 301377446 /nfs/dbraw/zinc/37/74/46/301377446.db2.gz HPGGFDFOESXOLJ-LLVKDONJSA-N -1 0 311.765 2.493 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCCC[C@H]2C)sc1C(=O)[O-] ZINC000037238542 301382061 /nfs/dbraw/zinc/38/20/61/301382061.db2.gz DFKSPAHKTIDEAR-SECBINFHSA-N -1 0 303.405 2.318 50 0 DEAARM CCn1ccnc1CN(C)[C@@H](C(=O)[O-])c1cccc(OC)c1 ZINC000095376039 332169471 /nfs/dbraw/zinc/16/94/71/332169471.db2.gz OBNMGHARVMHIJX-OAHLLOKOSA-N -1 0 303.362 2.169 50 0 DEAARM Cc1ccc(C(F)(F)F)cc1CN1C[C@H](O)C[C@H]1C(=O)[O-] ZINC000534586253 334291991 /nfs/dbraw/zinc/29/19/91/334291991.db2.gz DIEZHXQBWNNGSH-NEPJUHHUSA-N -1 0 303.280 2.034 50 0 DEAARM COc1cc(-c2c(C)nn(CC(=O)[O-])c2C)cc(OC)c1OC ZINC000534644818 334306787 /nfs/dbraw/zinc/30/67/87/334306787.db2.gz VKVVFZYEJIYAKK-UHFFFAOYSA-N -1 0 320.345 2.277 50 0 DEAARM O=C([O-])COc1ccc(-c2cccs2)cc1CN1CC(O)C1 ZINC000534653666 334312977 /nfs/dbraw/zinc/31/29/77/334312977.db2.gz BPCVQCHNZHBMSZ-UHFFFAOYSA-N -1 0 319.382 2.055 50 0 DEAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1cccc2c1OCO2 ZINC000299746114 534500748 /nfs/dbraw/zinc/50/07/48/534500748.db2.gz VJQFLCUUQWKUJS-UHFFFAOYSA-N -1 0 313.309 2.142 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(OC)c1 ZINC000492142516 536602698 /nfs/dbraw/zinc/60/26/98/536602698.db2.gz VLUCUEDNRPFQIY-WVRJYTFGSA-N -1 0 319.357 2.040 50 0 DEAARM COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2ncoc2C)c1 ZINC000263230214 536914543 /nfs/dbraw/zinc/91/45/43/536914543.db2.gz RZWXVLIRTMSMLZ-INIZCTEOSA-N -1 0 318.329 2.112 50 0 DEAARM CCNC(=O)c1ccc(C)c(NC(=O)CC(C)(C)C(=O)[O-])c1 ZINC000169987559 563902412 /nfs/dbraw/zinc/90/24/12/563902412.db2.gz CVHGPRFPGMQRQM-UHFFFAOYSA-N -1 0 306.362 2.184 50 0 DEAARM COc1ccc2nc(C(=O)N3CCCC[C@@H]3C(=O)[O-])ccc2c1 ZINC000191228757 601630180 /nfs/dbraw/zinc/63/01/80/601630180.db2.gz HABNONOOCFNIEU-OAHLLOKOSA-N -1 0 314.341 2.323 50 0 DEAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1occc1Br ZINC000263256075 640162944 /nfs/dbraw/zinc/16/29/44/640162944.db2.gz UCNNJFPWXRFHRS-JGVFFNPUSA-N -1 0 316.151 2.367 50 0 DEAARM CCc1nc2cc(CNC(=O)[C@@H](C)C(=O)[O-])ccc2n1C1CC1 ZINC000263548287 640299163 /nfs/dbraw/zinc/29/91/63/640299163.db2.gz IWCYBVIVSTUVFU-SNVBAGLBSA-N -1 0 315.373 2.271 50 0 DEAARM Cc1n[nH]c(C)c1[C@@H](C(=O)[O-])n1cc(C2CCCCC2)nn1 ZINC000091665813 684037476 /nfs/dbraw/zinc/03/74/76/684037476.db2.gz OMPYTIROCSYJLE-AWEZNQCLSA-N -1 0 303.366 2.340 50 0 DEAARM CCc1cc(CNS(=O)(=O)c2ccc(Cl)c([O-])c2)on1 ZINC000585135201 790326731 /nfs/dbraw/zinc/32/67/31/790326731.db2.gz NOGQQFNYBSKQIL-UHFFFAOYSA-N -1 0 316.766 2.075 50 0 DEAARM C[C@@H](CN(C)C(=O)C=Cc1cccc2cccnc12)c1nnn[n-]1 ZINC000588507971 777319646 /nfs/dbraw/zinc/31/96/46/777319646.db2.gz DMBYEDKINDVHFY-LAUAKBEESA-N -1 0 322.372 2.023 50 0 DEAARM CC(C)n1cc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])cn1 ZINC000095521326 185377448 /nfs/dbraw/zinc/37/74/48/185377448.db2.gz OJDWFSSIPLXRMP-AWEZNQCLSA-N -1 0 319.336 2.029 50 0 DEAARM CCC[C@@H](NC(=O)[C@@H]1SCCc2ccccc21)c1nnn[n-]1 ZINC000089949569 185271114 /nfs/dbraw/zinc/27/11/14/185271114.db2.gz BISGVGCSZAPHLR-CHWSQXEVSA-N -1 0 317.418 2.188 50 0 DEAARM CN1CCN(c2nc(-c3ccc(C(=O)[O-])cc3)cs2)CC1 ZINC000090505087 185299459 /nfs/dbraw/zinc/29/94/59/185299459.db2.gz NPHPALJCGYEBNO-UHFFFAOYSA-N -1 0 303.387 2.260 50 0 DEAARM C[C@H](CC(=O)Nc1ccc(-n2cc(C(=O)[O-])nn2)cc1)C1CC1 ZINC000095425182 185361593 /nfs/dbraw/zinc/36/15/93/185361593.db2.gz QSPCXDZDSSNHHL-SNVBAGLBSA-N -1 0 314.345 2.340 50 0 DEAARM CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095442225 185366567 /nfs/dbraw/zinc/36/65/67/185366567.db2.gz CCYHXCLOUMAEGT-TVQRCGJNSA-N -1 0 314.744 2.066 50 0 DEAARM CC(C)c1nn(C)c2sc(C(=O)NC[C@H](C)C(=O)[O-])cc12 ZINC000097018681 185397935 /nfs/dbraw/zinc/39/79/35/185397935.db2.gz WGGXFBCNSCQGCH-QMMMGPOBSA-N -1 0 309.391 2.209 50 0 DEAARM O=C(Nc1ccc2c(c1)NC(=O)CO2)c1c([O-])cc(F)cc1F ZINC000084489932 539395783 /nfs/dbraw/zinc/39/57/83/539395783.db2.gz JXRAHTSPUFAXJS-UHFFFAOYSA-N -1 0 320.251 2.254 50 0 DEAARM CC(C)c1noc(CCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)n1 ZINC000236664101 201953187 /nfs/dbraw/zinc/95/31/87/201953187.db2.gz BCKLTTJYXUGJKT-GFCCVEGCSA-N -1 0 323.393 2.229 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)C(=O)[O-] ZINC000170044417 539614398 /nfs/dbraw/zinc/61/43/98/539614398.db2.gz PJMNOFMWGLVCQV-LRDDRELGSA-N -1 0 315.373 2.030 50 0 DEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(-c2nc(C(C)C)no2)cn1 ZINC000071289356 190953210 /nfs/dbraw/zinc/95/32/10/190953210.db2.gz FZAHKPYILQWWOW-UHFFFAOYSA-N -1 0 313.317 2.447 50 0 DEAARM CC(=O)c1cn(CC(=O)N[C@@H](C(=O)[O-])C(C)C)c2ccccc12 ZINC000071375666 190962698 /nfs/dbraw/zinc/96/26/98/190962698.db2.gz XOAJHMHNGXMKHX-MRXNPFEDSA-N -1 0 316.357 2.069 50 0 DEAARM CC(C)(C)CC[C@@H](NC(=O)Cc1cn2ccccc2n1)C(=O)[O-] ZINC000262946683 539789121 /nfs/dbraw/zinc/78/91/21/539789121.db2.gz CWWQDKJPNGCKIF-CYBMUJFWSA-N -1 0 317.389 2.273 50 0 DEAARM Cc1ccc2[nH]c([C@@H]3CCCN3C(=O)[C@@H](C)C(=O)[O-])nc2c1 ZINC000263552392 539789765 /nfs/dbraw/zinc/78/97/65/539789765.db2.gz LTWPOCIXNZNKBK-MFKMUULPSA-N -1 0 301.346 2.256 50 0 DEAARM CCc1noc(C)c1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000072279416 191100377 /nfs/dbraw/zinc/10/03/77/191100377.db2.gz OZDPZWQWTCYKKD-ZDUSSCGKSA-N -1 0 302.330 2.491 50 0 DEAARM CCc1noc(C)c1C(=O)NCc1ccc(OC)c(C(=O)[O-])c1 ZINC000072307161 191118023 /nfs/dbraw/zinc/11/80/23/191118023.db2.gz YRPSXYDKLKIMBH-UHFFFAOYSA-N -1 0 318.329 2.182 50 0 DEAARM O=C([O-])C1=Nc2nc(C(F)(F)F)nn2[C@H](c2ccccc2)C1 ZINC000100434733 304035905 /nfs/dbraw/zinc/03/59/05/304035905.db2.gz VEYQZDJCPFKZKZ-VIFPVBQESA-N -1 0 310.235 2.280 50 0 DEAARM COC(=O)c1cccc(CNC(=O)c2ccccc2C(=O)[O-])c1 ZINC000003358661 181010931 /nfs/dbraw/zinc/01/09/31/181010931.db2.gz MSOPORLGWJVWQN-UHFFFAOYSA-N -1 0 313.309 2.101 50 0 DEAARM C[C@H](Oc1ccccc1)C(=O)Nc1cc(O)ccc1C(=O)[O-] ZINC000004029808 181064312 /nfs/dbraw/zinc/06/43/12/181064312.db2.gz HZXFHKRNSGNOJT-JTQLQIEISA-N -1 0 301.298 2.496 50 0 biogenic DEAARM CC(C)CCO[C@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000236763994 201997453 /nfs/dbraw/zinc/99/74/53/201997453.db2.gz JIJQZFYFXKANQN-ZDUSSCGKSA-N -1 0 306.362 2.057 50 0 DEAARM CSCC[C@@H](NC(=O)c1c(C)oc2c1CCCC2)C(=O)[O-] ZINC000004125551 181076844 /nfs/dbraw/zinc/07/68/44/181076844.db2.gz IOYNVVSWFGMSNZ-LLVKDONJSA-N -1 0 311.403 2.403 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2ccc(Br)cc2)CC1 ZINC000004206323 181085570 /nfs/dbraw/zinc/08/55/70/181085570.db2.gz SOJAKGJUMHFNTK-UHFFFAOYSA-N -1 0 312.163 2.386 50 0 DEAARM Cc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])c(C)c1 ZINC000004318891 181097435 /nfs/dbraw/zinc/09/74/35/181097435.db2.gz KBLLIJMOFHJJFN-HNNXBMFYSA-N -1 0 316.357 2.468 50 0 DEAARM Cc1ccc(C)c(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000004671285 181134758 /nfs/dbraw/zinc/13/47/58/181134758.db2.gz HHRGSMBNCDFMLE-UHFFFAOYSA-N -1 0 311.403 2.369 50 0 DEAARM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1CCCO1 ZINC000059969483 354607582 /nfs/dbraw/zinc/60/75/82/354607582.db2.gz PNJFRSXRRGAUQJ-HOTGVXAUSA-N -1 0 313.353 2.131 50 0 DEAARM Cc1nc2c([N-]S(=O)(=O)c3ccc(Cl)cc3)cccn2n1 ZINC000065283965 354681674 /nfs/dbraw/zinc/68/16/74/354681674.db2.gz QSOUCOYUTDXXCP-UHFFFAOYSA-N -1 0 322.777 2.492 50 0 DEAARM CC(=O)Oc1ccc(NC(=O)Cc2ccccc2)c(C(=O)[O-])c1 ZINC000004824388 181157205 /nfs/dbraw/zinc/15/72/05/181157205.db2.gz UNNWSDYLOKQOAA-UHFFFAOYSA-N -1 0 313.309 2.491 50 0 DEAARM C[C@H](Oc1ccccc1)C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000004822763 181157338 /nfs/dbraw/zinc/15/73/38/181157338.db2.gz RUCBDLYUWODQFE-JTQLQIEISA-N -1 0 301.298 2.496 50 0 DEAARM O=C([O-])CCNS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 ZINC000004832883 181158787 /nfs/dbraw/zinc/15/87/87/181158787.db2.gz SFGAXTGZJZQGEH-UHFFFAOYSA-N -1 0 317.366 2.011 50 0 DEAARM CCc1ccccc1NCc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000101803517 355710353 /nfs/dbraw/zinc/71/03/53/355710353.db2.gz SRCCINBQVXZGGG-UHFFFAOYSA-N -1 0 309.373 2.081 50 0 DEAARM Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000005154700 181210714 /nfs/dbraw/zinc/21/07/14/181210714.db2.gz BQPCGNLRFKYYRF-UHFFFAOYSA-N -1 0 324.793 2.166 50 0 DEAARM O=C(CNC(=O)c1cc(F)c([O-])c(F)c1)Cc1ccccc1 ZINC000135257386 355864634 /nfs/dbraw/zinc/86/46/34/355864634.db2.gz PZDBDMGBBMIYPR-UHFFFAOYSA-N -1 0 305.280 2.212 50 0 DEAARM O=C([O-])c1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 ZINC000005379132 181236422 /nfs/dbraw/zinc/23/64/22/181236422.db2.gz VUTUBBUSAWUNHY-UHFFFAOYSA-N -1 0 311.293 2.060 50 0 DEAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccoc1 ZINC000195580302 356259405 /nfs/dbraw/zinc/25/94/05/356259405.db2.gz ICOUOJWRHDPYHT-UHFFFAOYSA-N -1 0 322.386 2.100 50 0 DEAARM C/C(=C/C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccc(F)cc1 ZINC000236617645 356289839 /nfs/dbraw/zinc/28/98/39/356289839.db2.gz NURFGGZYVXCSAO-BENRWUELSA-N -1 0 321.348 2.321 50 0 DEAARM Cc1noc(C)c1CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177478008 198732573 /nfs/dbraw/zinc/73/25/73/198732573.db2.gz PCWDEDBWQJRASD-CYBMUJFWSA-N -1 0 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SOAOCNPJFCZGTM-UHFFFAOYSA-N -1 0 321.373 2.421 50 0 DEAARM COc1ccc2nc(/C=C\c3cnnn3C)cc(C(=O)[O-])c2c1 ZINC000352569616 404463238 /nfs/dbraw/zinc/46/32/38/404463238.db2.gz URRWZGFCOBPBOP-ARJAWSKDSA-N -1 0 310.313 2.241 50 0 DEAARM O=C(Cc1cccc2ccccc21)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000361192522 404967342 /nfs/dbraw/zinc/96/73/42/404967342.db2.gz VWRJPGQFAVRKBQ-HNNXBMFYSA-N -1 0 321.384 2.302 50 0 DEAARM Cc1ccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c(Cl)c1 ZINC000408472164 405214983 /nfs/dbraw/zinc/21/49/83/405214983.db2.gz ULAOJEFGQKYQEE-UHFFFAOYSA-N -1 0 320.780 2.492 50 0 DEAARM COc1ccc2c(c1)nc(C)cc2C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000426477173 405362620 /nfs/dbraw/zinc/36/26/20/405362620.db2.gz HHYOXUYJVJTPHG-LLVKDONJSA-N -1 0 314.341 2.099 50 0 DEAARM Cc1ccc(/C=C\C(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000492117781 405492041 /nfs/dbraw/zinc/49/20/41/405492041.db2.gz JSTGWTHMHUQFAM-SREVYHEPSA-N -1 0 303.358 2.100 50 0 DEAARM O=C([O-])[C@@H]1CN(c2nccc(C(F)(F)F)n2)CC12CCC2 ZINC000575609409 406813383 /nfs/dbraw/zinc/81/33/83/406813383.db2.gz XBFILFYIGQILJE-QMMMGPOBSA-N -1 0 301.268 2.187 50 0 DEAARM Cc1c(Cl)c(C(=O)N[C@H](CC(=O)[O-])CC(C)C)nn1C ZINC000299800376 229459503 /nfs/dbraw/zinc/45/95/03/229459503.db2.gz WARZWDYGADFDHE-VIFPVBQESA-N -1 0 301.774 2.001 50 0 DEAARM O=C(NCc1ccsc1)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000047110284 424823748 /nfs/dbraw/zinc/82/37/48/424823748.db2.gz OSJOJANWONDPFX-UHFFFAOYSA-N -1 0 317.395 2.203 50 0 DEAARM O=c1c2c(nc3[n-]c(CNc4ccccc4Cl)nn31)CCC2 ZINC000101803455 424847346 /nfs/dbraw/zinc/84/73/46/424847346.db2.gz HWTQIGFRGUALQH-UHFFFAOYSA-N -1 0 315.764 2.172 50 0 DEAARM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cn1)[C@@H]1CCCCO1 ZINC000649453377 425020106 /nfs/dbraw/zinc/02/01/06/425020106.db2.gz BXZQPPUMYUPQEC-ZDUSSCGKSA-N -1 0 306.362 2.105 50 0 DEAARM Cn1ccnc1COc1ccc(NC(=O)C(C)(C)C(=O)[O-])cc1 ZINC000649463008 425021650 /nfs/dbraw/zinc/02/16/50/425021650.db2.gz NJLWTYIVRZOKJE-UHFFFAOYSA-N -1 0 317.345 2.048 50 0 DEAARM Cc1nnccc1NC(=O)N[C@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653542078 425173336 /nfs/dbraw/zinc/17/33/36/425173336.db2.gz FPTNDYVJCVGWMV-DVVUODLYSA-N -1 0 306.366 2.042 50 0 DEAARM O=C([O-])c1ccc(NC(=O)c2ncn(-c3ccccc3)n2)cc1 ZINC000004858164 267357239 /nfs/dbraw/zinc/35/72/39/267357239.db2.gz VYNLUYJUDRNNLH-UHFFFAOYSA-N -1 0 308.297 2.218 50 0 DEAARM Cc1nscc1C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653329463 425463018 /nfs/dbraw/zinc/46/30/18/425463018.db2.gz WVIJYFGJTKSRSC-WCQYABFASA-N -1 0 302.355 2.495 50 0 DEAARM Cc1noc(C)c1CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653334198 425464063 /nfs/dbraw/zinc/46/40/63/425464063.db2.gz YLVZTXSRFWVZRO-CABCVRRESA-N -1 0 314.341 2.263 50 0 DEAARM O=c1[n-]c(=S)c2c(n1-c1ccc3c(c1)OCCO3)CCC2 ZINC000010509836 275042301 /nfs/dbraw/zinc/04/23/01/275042301.db2.gz DSNKVOJDPNNMSG-UHFFFAOYSA-N -1 0 302.355 2.155 50 0 DEAARM C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102347873 277673642 /nfs/dbraw/zinc/67/36/42/277673642.db2.gz IPJSWVCJMACWHG-SNVBAGLBSA-N -1 0 317.414 2.237 50 0 DEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@H]1c1c(F)cc(F)cc1F ZINC000000031822 278075626 /nfs/dbraw/zinc/07/56/26/278075626.db2.gz RGNOXUJJWODZFC-ONGXEEELSA-N -1 0 305.277 2.151 50 0 DEAARM CC[C@H]1C[C@]1(NC(=O)C1=C[C@@H](CC)C[C@H]2C(=O)CC[C@@H]12)C(=O)[O-] ZINC000013408435 288352537 /nfs/dbraw/zinc/35/25/37/288352537.db2.gz FMGBNISRFNDECK-BDASQDPRSA-N -1 0 319.401 2.308 50 0 DEAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)Nc1nccs1 ZINC000009468997 295560165 /nfs/dbraw/zinc/56/01/65/295560165.db2.gz DTALFVWBBPIQHU-UHFFFAOYSA-N -1 0 318.383 2.154 50 0 DEAARM Cc1ccc2nc(NC(=O)c3nn(C)cc3C(=O)[O-])sc2c1 ZINC000020614953 301926875 /nfs/dbraw/zinc/92/68/75/301926875.db2.gz HFBOYPSFMDGLNL-UHFFFAOYSA-N -1 0 316.342 2.289 50 0 DEAARM O=C([O-])CCN(C(=O)c1ccc(Cl)s1)C1CCOCC1 ZINC000238074635 337383631 /nfs/dbraw/zinc/38/36/31/337383631.db2.gz QXACERPMFZMWRZ-UHFFFAOYSA-N -1 0 317.794 2.497 50 0 DEAARM Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000097164228 484019253 /nfs/dbraw/zinc/01/92/53/484019253.db2.gz PCYCZBAFUJQDOI-UHFFFAOYSA-N -1 0 314.436 2.418 50 0 DEAARM O=C([O-])C1(NC(=O)[C@H]2CSc3ccccc3O2)CCCC1 ZINC000299748755 534483004 /nfs/dbraw/zinc/48/30/04/534483004.db2.gz IBSPKSWQKBPANU-LLVKDONJSA-N -1 0 307.371 2.053 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnc(Cc3ccccc3)s2)C1 ZINC000178269205 534523625 /nfs/dbraw/zinc/52/36/25/534523625.db2.gz XLLJXABZXVDZEV-GFCCVEGCSA-N -1 0 316.382 2.281 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)[C@H]2COc3ccccc32)c1 ZINC000299745397 534548465 /nfs/dbraw/zinc/54/84/65/534548465.db2.gz YRIHZUCSZVIKJC-HNNXBMFYSA-N -1 0 311.337 2.220 50 0 DEAARM CC(C)C[C@@H](NC(=O)c1csc(-c2ccccn2)n1)C(=O)[O-] ZINC000156180144 597031854 /nfs/dbraw/zinc/03/18/54/597031854.db2.gz QOFKJNMDYLXJBY-LLVKDONJSA-N -1 0 319.386 2.434 50 0 DEAARM CN(Cc1nnc2n1CCCCC2)[C@@H](C(=O)[O-])c1ccccc1 ZINC000737495040 600213985 /nfs/dbraw/zinc/21/39/85/600213985.db2.gz FHNLJBGYALSZME-MRXNPFEDSA-N -1 0 314.389 2.262 50 0 DEAARM C/C(=C\C(=O)N(CC(=O)[O-])C1CCOCC1)c1cccc(F)c1 ZINC000584908006 600959681 /nfs/dbraw/zinc/95/96/81/600959681.db2.gz RVTUGQJXNPJZEC-FMIVXFBMSA-N -1 0 321.348 2.321 50 0 DEAARM O=C([O-])CN1C(=O)c2ccccc2/C(=C/c2cccs2)C1=O ZINC000032741434 647842216 /nfs/dbraw/zinc/84/22/16/647842216.db2.gz BUZVMLSJAVGXSF-JYRVWZFOSA-N -1 0 313.334 2.356 50 0 DEAARM CCOC(=O)C=C([O-])c1sc2nccc(N(C)C)c2c1N ZINC000000208765 683830238 /nfs/dbraw/zinc/83/02/38/683830238.db2.gz DQLITHKKFQVVGK-UHFFFAOYSA-N -1 0 307.375 2.080 50 0 DEAARM CC(C)CC(=O)[N-]S(=O)(=O)c1ccc2onc(Cl)c2c1 ZINC000585086526 778823938 /nfs/dbraw/zinc/82/39/38/778823938.db2.gz AZPHYAXYUAXDIT-UHFFFAOYSA-N -1 0 316.766 2.332 50 0 DEAARM CCN(CCc1nc2ccccc2[nH]1)c1cncc(C(=O)[O-])n1 ZINC001529174451 1070901673 /nfs/dbraw/zinc/90/16/73/1070901673.db2.gz SZVAUIZGWSYNFT-UHFFFAOYSA-N -1 0 311.345 2.120 50 0 DEAARM O=C([O-])c1cccc(CNCc2noc(-c3cccs3)n2)n1 ZINC001506412013 1061954243 /nfs/dbraw/zinc/95/42/43/1061954243.db2.gz MMKPKFJCVATDCZ-UHFFFAOYSA-N -1 0 316.342 2.181 50 0 DEAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2ccccn2)cc1F ZINC001506411745 1061954933 /nfs/dbraw/zinc/95/49/33/1061954933.db2.gz UNMPTEHFHPFICV-OAHLLOKOSA-N -1 0 304.321 2.487 50 0 DEAARM O=S(=O)(C[C@@H]1CCCCO1)[N-]c1ccn(-c2ccccc2)n1 ZINC000076935788 185058158 /nfs/dbraw/zinc/05/81/58/185058158.db2.gz BSTJWUAPKVJRGR-AWEZNQCLSA-N -1 0 321.402 2.183 50 0 DEAARM CCc1c(C(=O)[O-])c(=O)cc(C)n1Cc1ccc(OC)cc1 ZINC000299769397 529490953 /nfs/dbraw/zinc/49/09/53/529490953.db2.gz NBJPJNFGXJORIK-UHFFFAOYSA-N -1 0 301.342 2.474 50 0 DEAARM CCC[C@@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nnn[n-]1 ZINC000089949618 185271104 /nfs/dbraw/zinc/27/11/04/185271104.db2.gz LLOREZDGPADJPP-SNVBAGLBSA-N -1 0 315.711 2.403 50 0 DEAARM CSc1nc(Cl)c(I)c(=O)[n-]1 ZINC000078404250 295689571 /nfs/dbraw/zinc/68/95/71/295689571.db2.gz VFMFMAVBNDRHBE-UHFFFAOYSA-N -1 0 302.524 2.162 50 0 DEAARM Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)CC(=O)[O-] ZINC000095425018 185361604 /nfs/dbraw/zinc/36/16/04/185361604.db2.gz NCUDCHCCNNQQIR-JTQLQIEISA-N -1 0 302.330 2.172 50 0 DEAARM CCc1noc2nc(CCC(=O)[O-])nc(N3CCCCC3)c12 ZINC000035475912 539333622 /nfs/dbraw/zinc/33/36/22/539333622.db2.gz GAGKHIREGYISJI-UHFFFAOYSA-N -1 0 304.350 2.188 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1 ZINC000097017432 185397733 /nfs/dbraw/zinc/39/77/33/185397733.db2.gz VANYSEBUZGGUIV-VIFPVBQESA-N -1 0 306.343 2.340 50 0 DEAARM O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1cccnc1 ZINC000097018075 185397881 /nfs/dbraw/zinc/39/78/81/185397881.db2.gz NZLUYXNOWSUBSV-UHFFFAOYSA-N -1 0 320.295 2.477 50 0 DEAARM Cc1oc(CNC(=O)Cc2cc(F)ccc2F)cc1C(=O)[O-] ZINC000097018554 185397982 /nfs/dbraw/zinc/39/79/82/185397982.db2.gz HFAGDNWOCVVVAT-UHFFFAOYSA-N -1 0 309.268 2.423 50 0 DEAARM CC(C)(CNC(=O)Cc1ccccc1Br)C(=O)[O-] ZINC000097018900 185398042 /nfs/dbraw/zinc/39/80/42/185398042.db2.gz BMXPMQXOCZYWFG-UHFFFAOYSA-N -1 0 314.179 2.219 50 0 DEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1cccc2c1OCO2 ZINC000299748301 529984000 /nfs/dbraw/zinc/98/40/00/529984000.db2.gz GUPCFZWTEJLDMT-UHFFFAOYSA-N -1 0 313.309 2.386 50 0 DEAARM COc1cccc2cc(C(=O)N3CCC(C(=O)[O-])CC3)oc21 ZINC000237351080 539745582 /nfs/dbraw/zinc/74/55/82/539745582.db2.gz MTXARCVLEJKUEF-UHFFFAOYSA-N -1 0 303.314 2.378 50 0 DEAARM COc1ccc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])cc1 ZINC000000036337 180673837 /nfs/dbraw/zinc/67/38/37/180673837.db2.gz INJNHVCOQAARDV-UHFFFAOYSA-N -1 0 317.297 2.117 50 0 biogenic DEAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)C2CC2)CC1 ZINC000072462564 191172189 /nfs/dbraw/zinc/17/21/89/191172189.db2.gz JTLXCUTYYYGNEH-UHFFFAOYSA-N -1 0 307.321 2.060 50 0 DEAARM CCOC(=O)C1=C(O)[C@H](Nc2ccccc2C(=O)[O-])CCC1 ZINC000006206540 353996514 /nfs/dbraw/zinc/99/65/14/353996514.db2.gz ZEVAJPAUVWZVEW-WCQYABFASA-N -1 0 305.330 2.098 50 0 DEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000004027822 181064743 /nfs/dbraw/zinc/06/47/43/181064743.db2.gz IRMPITCUTYXXON-LSDHHAIUSA-N -1 0 312.369 2.494 50 0 biogenic DEAARM CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(=O)[O-] ZINC000005162086 181212081 /nfs/dbraw/zinc/21/20/81/181212081.db2.gz KYTSFMHGUZQSFG-RNCFNFMXSA-N -1 0 310.350 2.325 50 0 DEAARM Cc1ccc(C[C@@H](CO)NC(=O)c2c([O-])cc(F)cc2F)cc1 ZINC000170605332 355988486 /nfs/dbraw/zinc/98/84/86/355988486.db2.gz QBXGRWQMSLCYHH-ZDUSSCGKSA-N -1 0 321.323 2.312 50 0 DEAARM Cc1noc([N-]S(=O)(=O)C2=Cc3ccccc3OC2)c1C ZINC000170608309 355988742 /nfs/dbraw/zinc/98/87/42/355988742.db2.gz RCQCYMCINKNYML-UHFFFAOYSA-N -1 0 306.343 2.467 50 0 DEAARM CCOc1ccc(CCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000236920332 202071895 /nfs/dbraw/zinc/07/18/95/202071895.db2.gz BJVFBHMMCLMPNL-QGZVFWFLSA-N -1 0 305.374 2.341 50 0 DEAARM CCc1ccc([C@H]2COCCN2C(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000236983620 202108972 /nfs/dbraw/zinc/10/89/72/202108972.db2.gz GSKUGNIWSRTOHL-LLVKDONJSA-N -1 0 319.313 2.347 50 0 DEAARM CCN(CCC(=O)[O-])C(=O)C1(c2cccc(F)c2)CCOCC1 ZINC000237016563 202124427 /nfs/dbraw/zinc/12/44/27/202124427.db2.gz ZVHLSCCQUHVYAH-UHFFFAOYSA-N -1 0 323.364 2.197 50 0 DEAARM COc1ccccc1C[C@H](C)CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237248572 202205216 /nfs/dbraw/zinc/20/52/16/202205216.db2.gz OUYAGOKFCZVQTC-GXTWGEPZSA-N -1 0 305.374 2.197 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000585134323 357336552 /nfs/dbraw/zinc/33/65/52/357336552.db2.gz NDRADLCITWXLHK-KBPBESRZSA-N -1 0 303.358 2.278 50 0 DEAARM C[C@@H](CCc1ccccc1F)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237349317 202239529 /nfs/dbraw/zinc/23/95/29/202239529.db2.gz QSLOATCSADTQIT-GXTWGEPZSA-N -1 0 323.364 2.097 50 0 DEAARM C[C@@H](CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1F ZINC000237335207 202234952 /nfs/dbraw/zinc/23/49/52/202234952.db2.gz QKGIQYRSPGUJGB-RYUDHWBXSA-N -1 0 309.337 2.021 50 0 DEAARM Cc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)nn1-c1ccccc1 ZINC000237709676 202335753 /nfs/dbraw/zinc/33/57/53/202335753.db2.gz SYBGURMDINHGFI-KRWDZBQOSA-N -1 0 313.357 2.118 50 0 DEAARM Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237686812 202327878 /nfs/dbraw/zinc/32/78/78/202327878.db2.gz NYVDQVXHWUDECH-AWEZNQCLSA-N -1 0 321.421 2.215 50 0 DEAARM Cc1ccc(OCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000237693846 202330567 /nfs/dbraw/zinc/33/05/67/202330567.db2.gz HTQYWSVMQLNISU-AWEZNQCLSA-N -1 0 305.374 2.477 50 0 DEAARM Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237700659 202331869 /nfs/dbraw/zinc/33/18/69/202331869.db2.gz SIPQNRLTTGSQDL-KRWDZBQOSA-N -1 0 318.348 2.481 50 0 DEAARM Cc1nc(-c2cc(C(=O)N3CCC[C@H]3C(=O)[O-])n(C)c2)cs1 ZINC000237789322 202355379 /nfs/dbraw/zinc/35/53/79/202355379.db2.gz JSJZVLWIEFLSMY-LBPRGKRZSA-N -1 0 319.386 2.146 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)C2CCC(c3ccccc3)CC2)CCO1 ZINC000238122715 202442694 /nfs/dbraw/zinc/44/26/94/202442694.db2.gz GCWUSGQGNIDEMV-UYSNPLJNSA-N -1 0 317.385 2.272 50 0 DEAARM COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1OC ZINC000005955364 181300537 /nfs/dbraw/zinc/30/05/37/181300537.db2.gz WQCLCLYSSQOLME-KPKJPENVSA-N -1 0 321.358 2.348 50 0 DEAARM O=C([O-])[C@]1(O)c2ccccc2NC(=S)N1Cc1ccccc1 ZINC000006190243 181318594 /nfs/dbraw/zinc/31/85/94/181318594.db2.gz RUHDGFSTNVIPGD-MRXNPFEDSA-N -1 0 314.366 2.349 50 0 DEAARM Cc1ccccc1CNC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000006270386 181325274 /nfs/dbraw/zinc/32/52/74/181325274.db2.gz IZCXMQSOPSBZDX-UHFFFAOYSA-N -1 0 318.398 2.297 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(F)cc1 ZINC000006268704 181325289 /nfs/dbraw/zinc/32/52/89/181325289.db2.gz SDQPABQFJGQNGU-UHFFFAOYSA-N -1 0 308.334 2.450 50 0 DEAARM O=S(=O)([N-]CCn1cccc1)c1c(F)c(F)cc(F)c1F ZINC000193788577 201123489 /nfs/dbraw/zinc/12/34/89/201123489.db2.gz WWMFMSAWMXEJQG-UHFFFAOYSA-N -1 0 322.283 2.023 50 0 DEAARM CCNc1ccc(Cl)cc1C(=O)N(C)C[C@H](C)c1nnn[n-]1 ZINC000193807264 201126588 /nfs/dbraw/zinc/12/65/88/201126588.db2.gz LUPJWAOOOXHCPL-VIFPVBQESA-N -1 0 322.800 2.161 50 0 DEAARM CC(C)(C)OC(=O)N[C@H]1CCc2cc(C(=O)[O-])ccc2NC1=O ZINC000675050501 541285902 /nfs/dbraw/zinc/28/59/02/541285902.db2.gz WFLUUWRASKUXOU-LBPRGKRZSA-N -1 0 320.345 2.163 50 0 DEAARM CCn1cc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c(C)n1 ZINC000006636827 181363095 /nfs/dbraw/zinc/36/30/95/181363095.db2.gz IJVYRDWVDMMOCE-UHTWSYAYSA-N -1 0 307.394 2.280 50 0 DEAARM CCOc1ccccc1[N-]S(=O)(=O)c1cnn(CC)c1C ZINC000006706558 181374927 /nfs/dbraw/zinc/37/49/27/181374927.db2.gz UDSACFAHTBQOHE-UHFFFAOYSA-N -1 0 309.391 2.411 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1Cl ZINC000006746607 181381626 /nfs/dbraw/zinc/38/16/26/181381626.db2.gz MQQJUIWMXAAAFR-JTQLQIEISA-N -1 0 317.794 2.134 50 0 DEAARM COCCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccsc2)C1 ZINC000091563278 193073438 /nfs/dbraw/zinc/07/34/38/193073438.db2.gz IYBWRJGQHAYNNR-HNNXBMFYSA-N -1 0 311.403 2.482 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)NC2CCCC2)C[C@H]1c1ccccc1 ZINC000091724500 193097529 /nfs/dbraw/zinc/09/75/29/193097529.db2.gz AMSUATKZROLHAN-LSDHHAIUSA-N -1 0 302.374 2.439 50 0 DEAARM CCC[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C(=O)[O-] ZINC000091915290 193125505 /nfs/dbraw/zinc/12/55/05/193125505.db2.gz DRJHUHBRADJWKP-ZIAGYGMSSA-N -1 0 303.358 2.194 50 0 DEAARM Cn1nc(C(=O)N(CC(=O)[O-])C2CCCCC2)cc1C1CC1 ZINC000630130867 367487211 /nfs/dbraw/zinc/48/72/11/367487211.db2.gz UXZYKBPNEFJIHE-UHFFFAOYSA-N -1 0 305.378 2.157 50 0 DEAARM CCc1ccc(F)cc1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000630130996 367488538 /nfs/dbraw/zinc/48/85/38/367488538.db2.gz MWGQJXQAZGVRRR-UHFFFAOYSA-N -1 0 309.337 2.094 50 0 DEAARM Cc1nn(C)c(C)c1C(=O)NC[C@H](C(=O)[O-])C1CCCCC1 ZINC000630266209 367563444 /nfs/dbraw/zinc/56/34/44/367563444.db2.gz ZIFIBUJRJIHVLS-ZDUSSCGKSA-N -1 0 307.394 2.048 50 0 DEAARM C[C@@](CNC(=O)c1cnn(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000630170136 367512427 /nfs/dbraw/zinc/51/24/27/367512427.db2.gz MFMCESHLFGKIAJ-HNNXBMFYSA-N -1 0 323.299 2.051 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000630285324 367572973 /nfs/dbraw/zinc/57/29/73/367572973.db2.gz ZPMFHFYEWUWMBA-KQTLUZQSSA-N -1 0 315.369 2.092 50 0 DEAARM CC(C)Oc1ccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)cn1 ZINC000262379818 203278576 /nfs/dbraw/zinc/27/85/76/203278576.db2.gz OBRKIRKUUFEBMU-ZDUSSCGKSA-N -1 0 318.373 2.196 50 0 DEAARM CCn1nc(C)c(C(=O)N=c2nc(C3(C)CC3)[n-]s2)c1C ZINC000529704230 284243926 /nfs/dbraw/zinc/24/39/26/284243926.db2.gz KQKASSJLBHVUHR-UHFFFAOYSA-N -1 0 305.407 2.097 50 0 DEAARM CCc1ccc(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)cc1 ZINC000008607782 181568779 /nfs/dbraw/zinc/56/87/79/181568779.db2.gz PKNRHZGKNRQZPD-UHFFFAOYSA-N -1 0 314.385 2.453 50 0 DEAARM COc1ccc(C(=O)[O-])c(OCC(=O)N[C@@H]2CCCC[C@H]2C)c1 ZINC000013084274 181826964 /nfs/dbraw/zinc/82/69/64/181826964.db2.gz BGMOYRKTMXRTJN-BXUZGUMPSA-N -1 0 321.373 2.467 50 0 DEAARM COc1ccc(OCCCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013171294 181836735 /nfs/dbraw/zinc/83/67/35/181836735.db2.gz GHUJGBAGFOHIGA-ZDUSSCGKSA-N -1 0 321.373 2.177 50 0 DEAARM COCc1c(C(=O)[O-])nnn1-c1cccc(C(F)(F)F)c1 ZINC000020272166 182202191 /nfs/dbraw/zinc/20/21/91/182202191.db2.gz JZWMJFSLAVACHL-UHFFFAOYSA-N -1 0 301.224 2.131 50 0 DEAARM CSCC[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000020736450 182245125 /nfs/dbraw/zinc/24/51/25/182245125.db2.gz GQWXRYKNMCQGQF-LBPRGKRZSA-N -1 0 324.377 2.103 50 0 DEAARM O=C([O-])CCCNC(=O)Cc1csc(-c2ccccc2)n1 ZINC000020735369 182245244 /nfs/dbraw/zinc/24/52/44/182245244.db2.gz NEJKWMCZOKHBJR-UHFFFAOYSA-N -1 0 304.371 2.334 50 0 DEAARM Cc1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000020736508 182245341 /nfs/dbraw/zinc/24/53/41/182245341.db2.gz QLAIQDWBJOLMQO-LBPRGKRZSA-N -1 0 304.371 2.186 50 0 DEAARM Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)s1 ZINC000021794889 182289857 /nfs/dbraw/zinc/28/98/57/182289857.db2.gz PZUZSLJZESKNCD-UHFFFAOYSA-N -1 0 311.384 2.233 50 0 DEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)cc1C ZINC000021883841 182296390 /nfs/dbraw/zinc/29/63/90/182296390.db2.gz FIVFVLPJLZEYPX-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM CC(C)[C@@H](NC(=O)c1cc(F)ccc1Br)C(=O)[O-] ZINC000022142735 182310442 /nfs/dbraw/zinc/31/04/42/182310442.db2.gz OQOVGPHTQKWUEG-SNVBAGLBSA-N -1 0 318.142 2.427 50 0 DEAARM O=C([O-])[C@H]1CCCN(c2ncnc3sc4c(c32)CCC4)C1 ZINC000003391715 304184630 /nfs/dbraw/zinc/18/46/30/304184630.db2.gz HFWBEZWBCMILEK-VIFPVBQESA-N -1 0 303.387 2.481 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccccc1C(F)(F)F ZINC000195542627 304185154 /nfs/dbraw/zinc/18/51/54/304185154.db2.gz AGIMRXNQOUZGFF-LLVKDONJSA-N -1 0 301.264 2.324 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1sccc1Br ZINC000070162812 304186899 /nfs/dbraw/zinc/18/68/99/304186899.db2.gz ZPVVJQLSJKNBRD-SSDOTTSWSA-N -1 0 304.165 2.200 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)C1 ZINC000062119012 184206768 /nfs/dbraw/zinc/20/67/68/184206768.db2.gz QRVNIWUFZLFXGR-MRVPVSSYSA-N -1 0 308.384 2.418 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000062119118 184206792 /nfs/dbraw/zinc/20/67/92/184206792.db2.gz TZOBRCABHQEZBI-MRVPVSSYSA-N -1 0 318.156 2.305 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000062118447 184206815 /nfs/dbraw/zinc/20/68/15/184206815.db2.gz SYADWPXYFHOPBJ-VIFPVBQESA-N -1 0 302.157 2.469 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000062913488 184259469 /nfs/dbraw/zinc/25/94/69/184259469.db2.gz NUOWDRMHKJNKAR-CQSZACIVSA-N -1 0 315.728 2.181 50 0 DEAARM Cc1cn(C)c(CC(=O)NCc2cccc(C)c2)c1C(=O)[O-] ZINC000064774951 184303486 /nfs/dbraw/zinc/30/34/86/184303486.db2.gz HFAZUOIBLBMHNM-UHFFFAOYSA-N -1 0 300.358 2.199 50 0 DEAARM Nc1nc2ccc(C(=O)[O-])cc2c(N[C@@H](CO)c2ccccc2)n1 ZINC000065458356 184348086 /nfs/dbraw/zinc/34/80/86/184348086.db2.gz WGGJQXJDSRFZIS-AWEZNQCLSA-N -1 0 324.340 2.056 50 0 DEAARM COc1ccccc1-n1c(SCC(=O)[O-])nnc1[C@H](C)OC ZINC000065461731 184349098 /nfs/dbraw/zinc/34/90/98/184349098.db2.gz LRWHJNVWROKOIJ-VIFPVBQESA-N -1 0 323.374 2.160 50 0 DEAARM COCc1c(C(=O)[O-])nnn1-c1ccccc1C(F)(F)F ZINC000067323682 184460445 /nfs/dbraw/zinc/46/04/45/184460445.db2.gz MBNQYMHHTIPSHV-UHFFFAOYSA-N -1 0 301.224 2.131 50 0 DEAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc(C)c1C ZINC000069492100 184519782 /nfs/dbraw/zinc/51/97/82/184519782.db2.gz GJYHRETVQHQGPC-GOEBONIOSA-N -1 0 305.374 2.314 50 0 DEAARM Cn1cc(CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)cn1 ZINC000158402146 197269580 /nfs/dbraw/zinc/26/95/80/197269580.db2.gz CEYQFBCAFLVCRG-UHFFFAOYSA-N -1 0 302.359 2.421 50 0 DEAARM Cc1cc2nc(CN3CC[C@H]3c3ccc(F)cc3)cc(=O)n2[n-]1 ZINC000334159589 257262588 /nfs/dbraw/zinc/26/25/88/257262588.db2.gz GVVSDLSDBSDMJE-HNNXBMFYSA-N -1 0 312.348 2.417 50 0 DEAARM O=C([O-])c1nsc2c1NC(=O)C[C@@H]2c1ccc2c(c1)OCO2 ZINC000066091368 304285696 /nfs/dbraw/zinc/28/56/96/304285696.db2.gz GOWOZXIFYFLBLB-SSDOTTSWSA-N -1 0 318.310 2.044 50 0 DEAARM C/C=C\c1ccc(OCC(=O)N2CC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000340197644 131142917 /nfs/dbraw/zinc/14/29/17/131142917.db2.gz KNXDINYVRGTHOC-SCOBNMCVSA-N -1 0 319.357 2.040 50 0 DEAARM Cc1ccc(CNC(=O)NCCC(=O)[O-])c(OCC2CC2)c1 ZINC000263275589 132580211 /nfs/dbraw/zinc/58/02/11/132580211.db2.gz SFKRMSHSJAMISK-UHFFFAOYSA-N -1 0 306.362 2.058 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1coc(-c2ccccc2)n1 ZINC000353942551 133012667 /nfs/dbraw/zinc/01/26/67/133012667.db2.gz SIHFHLNBVZWEGJ-AWEZNQCLSA-N -1 0 314.341 2.350 50 0 DEAARM COC(=O)c1sccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000474320 292042920 /nfs/dbraw/zinc/04/29/20/292042920.db2.gz NCLPSSAAUMRJND-BDAKNGLRSA-N -1 0 309.343 2.140 50 0 DEAARM Cn1cc(CSc2nc(=O)cc([O-])n2C2CCCC2)cn1 ZINC000192708601 145077951 /nfs/dbraw/zinc/07/79/51/145077951.db2.gz HDJPOBXFLMABNW-UHFFFAOYSA-N -1 0 306.391 2.090 50 0 DEAARM Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(C(=O)[O-])cc2)n1 ZINC000262431984 145283244 /nfs/dbraw/zinc/28/32/44/145283244.db2.gz MMYVHCDDEIFZTG-CYBMUJFWSA-N -1 0 315.373 2.466 50 0 DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)c(C)o2)cc1 ZINC000000394572 401695982 /nfs/dbraw/zinc/69/59/82/401695982.db2.gz BCGBRLMXWWNZLS-UHFFFAOYSA-N -1 0 309.347 2.051 50 0 DEAARM COc1ccccc1C[C@H](C(=O)Nc1ccccc1)c1nnn[n-]1 ZINC000000418770 401697305 /nfs/dbraw/zinc/69/73/05/401697305.db2.gz IABNZEUISJEPBR-AWEZNQCLSA-N -1 0 323.356 2.173 50 0 DEAARM COc1ccc(OC)c([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000000428645 401697619 /nfs/dbraw/zinc/69/76/19/401697619.db2.gz IUZKLCMIEVEKOK-UHFFFAOYSA-N -1 0 312.347 2.109 50 0 DEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000000461392 401698883 /nfs/dbraw/zinc/69/88/83/401698883.db2.gz IVBNPKKPTFYBLS-JKSUJKDBSA-N -1 0 316.401 2.226 50 0 DEAARM COc1ccccc1OCC(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000000552668 401701018 /nfs/dbraw/zinc/70/10/18/401701018.db2.gz ZYMKUCOXSHHPNE-UHFFFAOYSA-N -1 0 317.297 2.117 50 0 DEAARM Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1ccccc1C(=O)[O-] ZINC000072243047 401704247 /nfs/dbraw/zinc/70/42/47/401704247.db2.gz YPKRXFSCTLFRPC-HNNXBMFYSA-N -1 0 311.341 2.291 50 0 DEAARM COc1cc(C=O)cc(-c2cc(C=O)cc(OC)c2O)c1[O-] ZINC000001747302 401710520 /nfs/dbraw/zinc/71/05/20/401710520.db2.gz NSTQUZVZBUTVPY-UHFFFAOYSA-N -1 0 302.282 2.407 50 0 endogenous,in-man DEAARM Cc1cccc(OCCCC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013170707 401797737 /nfs/dbraw/zinc/79/77/37/401797737.db2.gz JNCYMCXCZYBMSV-AWEZNQCLSA-N -1 0 305.374 2.477 50 0 DEAARM COc1cccc(CNC(=O)COc2cccc(C(=O)[O-])c2)c1 ZINC000013418875 401799174 /nfs/dbraw/zinc/79/91/74/401799174.db2.gz ZWEGJMNBGDPWRH-UHFFFAOYSA-N -1 0 315.325 2.089 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N(C(C)C)C(C)C ZINC000013419799 401800244 /nfs/dbraw/zinc/80/02/44/401800244.db2.gz BFIRRHXOYMFXEO-UHFFFAOYSA-N -1 0 309.362 2.418 50 0 DEAARM CCNC(=O)c1cccc(NC(=O)c2ccccc2C(=O)[O-])c1 ZINC000013624037 401802266 /nfs/dbraw/zinc/80/22/66/401802266.db2.gz KQQHGNYVGYIAHD-UHFFFAOYSA-N -1 0 312.325 2.387 50 0 DEAARM COc1cccc(/C=C2\SC(=O)N(CCC(=O)[O-])C2=O)c1 ZINC000013739562 401804196 /nfs/dbraw/zinc/80/41/96/401804196.db2.gz LKEUUXMNNQMEEH-FLIBITNWSA-N -1 0 307.327 2.206 50 0 DEAARM O=C([N-]n1cnc2sccc2c1=O)c1ccc2ccccc2n1 ZINC000014017123 401805767 /nfs/dbraw/zinc/80/57/67/401805767.db2.gz XSUTUQOGDWMPAB-UHFFFAOYSA-N -1 0 322.349 2.390 50 0 DEAARM Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc12 ZINC000011635115 401775002 /nfs/dbraw/zinc/77/50/02/401775002.db2.gz WTIBTNJGNKJRBP-AWEZNQCLSA-N -1 0 319.382 2.386 50 0 DEAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)NC23CCC(CC2)C3)cc1 ZINC000014241044 401810261 /nfs/dbraw/zinc/81/02/61/401810261.db2.gz QDUGJRSIKVBVMD-ZZXKWVIFSA-N -1 0 321.398 2.395 50 0 DEAARM CCOc1ccc(-n2nnc(C(=O)[O-])c2-c2ccncc2)cc1 ZINC000011730580 401775955 /nfs/dbraw/zinc/77/59/55/401775955.db2.gz BBHIMSIKYXVYEG-UHFFFAOYSA-N -1 0 310.313 2.426 50 0 DEAARM COc1ccc(-c2cc(C(F)F)n3nc(C(=O)[O-])nc3n2)cc1 ZINC000012396721 401784221 /nfs/dbraw/zinc/78/42/21/401784221.db2.gz VQZJUBUSILTJCW-UHFFFAOYSA-N -1 0 320.255 2.436 50 0 DEAARM CC[S@@](=O)[C@H]1CCCC[C@@H]1NC(=O)c1c(O)cccc1F ZINC000128779418 401791359 /nfs/dbraw/zinc/79/13/59/401791359.db2.gz CBZKUDZWUPBUBK-KDKPCJNHSA-N -1 0 313.394 2.341 50 0 DEAARM COc1ccc(OCC(=O)NC2CCCCC2)c(C(=O)[O-])c1 ZINC000013086709 401795868 /nfs/dbraw/zinc/79/58/68/401795868.db2.gz HILFESPKXNSSOC-UHFFFAOYSA-N -1 0 307.346 2.221 50 0 DEAARM C[C@@H](NC(=O)CSc1n[n-]c(=S)s1)c1ccoc1 ZINC000135137750 401928094 /nfs/dbraw/zinc/92/80/94/401928094.db2.gz IVQDKUBMUKPTDN-ZCFIWIBFSA-N -1 0 301.418 2.389 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000033114659 401888820 /nfs/dbraw/zinc/88/88/20/401888820.db2.gz FWMIWDYLUUNGJN-KGLIPLIRSA-N -1 0 310.288 2.324 50 0 DEAARM CC(C)CNC(=O)CCc1nnc(-c2ccccc2F)[n-]c1=O ZINC000034767718 401893814 /nfs/dbraw/zinc/89/38/14/401893814.db2.gz HNFLPFWZRQQDEU-UHFFFAOYSA-N -1 0 318.352 2.088 50 0 DEAARM COc1ccc2[nH]c(C(=O)N[C@@H](CCSC)C(=O)[O-])cc2c1 ZINC000035686330 401900896 /nfs/dbraw/zinc/90/08/96/401900896.db2.gz IGNWAGILXVBZDM-LBPRGKRZSA-N -1 0 322.386 2.113 50 0 DEAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCCCC2)c2cc(C(=O)[O-])ccc21 ZINC000036359085 401905114 /nfs/dbraw/zinc/90/51/14/401905114.db2.gz IDCXNYOBTJDCRL-OAHLLOKOSA-N -1 0 316.357 2.488 50 0 DEAARM COCCS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1Cl ZINC000037310431 401912254 /nfs/dbraw/zinc/91/22/54/401912254.db2.gz PAIVEXNICBEYFN-UHFFFAOYSA-N -1 0 313.158 2.112 50 0 DEAARM CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000136477575 401968523 /nfs/dbraw/zinc/96/85/23/401968523.db2.gz ZPMHYZKKBKPLBH-FPTDNZKUSA-N -1 0 323.414 2.282 50 0 DEAARM O=C([O-])c1cccc(C(=O)Nc2nc3c(s2)CCCC3)n1 ZINC000049561804 402019906 /nfs/dbraw/zinc/01/99/06/402019906.db2.gz IQQXESGIEILDNY-UHFFFAOYSA-N -1 0 303.343 2.367 50 0 DEAARM CCCCCS(=O)(=O)[N-]C(=O)c1ccc(-n2ccnc2)cc1 ZINC000095987685 402043119 /nfs/dbraw/zinc/04/31/19/402043119.db2.gz VOXNVKFLFIVMND-UHFFFAOYSA-N -1 0 321.402 2.122 50 0 DEAARM CCn1nc(C)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccccc1C ZINC000095989817 402043368 /nfs/dbraw/zinc/04/33/68/402043368.db2.gz RMMDGAXLPPXPKW-AWEZNQCLSA-N -1 0 315.373 2.466 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)no1 ZINC000095994133 402044335 /nfs/dbraw/zinc/04/43/35/402044335.db2.gz ARZBCYNRWCJGJK-UHFFFAOYSA-N -1 0 303.290 2.019 50 0 DEAARM COC(=O)C[C@@H](c1ccccc1)c1c([O-])nc2ccccn2c1=O ZINC000096116604 402060519 /nfs/dbraw/zinc/06/05/19/402060519.db2.gz UOOSTIJEBHIQSA-ZDUSSCGKSA-N -1 0 324.336 2.095 50 0 DEAARM CC(C)Cc1ccc(-c2cc(C(=O)Nc3nnn[n-]3)n[nH]2)cc1 ZINC000096230849 402073119 /nfs/dbraw/zinc/07/31/19/402073119.db2.gz CWDNKPAYBMOUEB-UHFFFAOYSA-N -1 0 311.349 2.041 50 0 DEAARM Cn1cc(C(=O)Nc2cccc(C(=O)[O-])c2)c(C(F)(F)F)n1 ZINC000096402411 402077986 /nfs/dbraw/zinc/07/79/86/402077986.db2.gz LKJHBKUJPMJFRC-UHFFFAOYSA-N -1 0 313.235 2.389 50 0 DEAARM COCC(=O)Nc1ccc(N2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000064588955 402120488 /nfs/dbraw/zinc/12/04/88/402120488.db2.gz BGKWSQQFQOTTMB-LLVKDONJSA-N -1 0 306.362 2.206 50 0 DEAARM CN(Cc1ccccn1)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000096436178 402086808 /nfs/dbraw/zinc/08/68/08/402086808.db2.gz FBDDKVNMCGLWLE-UHFFFAOYSA-N -1 0 308.341 2.245 50 0 DEAARM Cn1cc(CCNC(=O)c2c([O-])cc(Cl)cc2Cl)cn1 ZINC000096456614 402091224 /nfs/dbraw/zinc/09/12/24/402091224.db2.gz GKVREWVEKATEGI-UHFFFAOYSA-N -1 0 314.172 2.405 50 0 DEAARM COc1ccsc1S(=O)(=O)[N-]c1cccc2n[nH]cc21 ZINC000096471752 402092962 /nfs/dbraw/zinc/09/29/62/402092962.db2.gz PZZOBWGZMAYAFR-UHFFFAOYSA-N -1 0 309.372 2.434 50 0 DEAARM CC(C)N(CCC(=O)[O-])C(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000096480098 402093747 /nfs/dbraw/zinc/09/37/47/402093747.db2.gz NHKWTLYFOHWWCU-UHFFFAOYSA-N -1 0 319.336 2.337 50 0 DEAARM O=S1(=O)C=C([O-])c2ccccc2N1Cc1ccc(F)cc1 ZINC000057352139 402093811 /nfs/dbraw/zinc/09/38/11/402093811.db2.gz JDBJSXHXTAFSSU-UHFFFAOYSA-N -1 0 305.330 2.358 50 0 DEAARM O=S(=O)([N-]c1ccon1)c1cc(Cl)cc2c1OCC2 ZINC000096501917 402097480 /nfs/dbraw/zinc/09/74/80/402097480.db2.gz BGKBMGIQEFKRPY-UHFFFAOYSA-N -1 0 300.723 2.064 50 0 DEAARM CCc1ccc(N2C(=O)[N-]S(=O)(=O)c3cccnc32)cc1 ZINC000096511560 402097982 /nfs/dbraw/zinc/09/79/82/402097982.db2.gz VMPPYGSPALXFDN-UHFFFAOYSA-N -1 0 303.343 2.398 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1cccc2c[nH]nc21)c1ccccc1F ZINC000097036453 402100906 /nfs/dbraw/zinc/10/09/06/402100906.db2.gz 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402288573 /nfs/dbraw/zinc/28/85/73/402288573.db2.gz ZMORGDVTBKNWPB-GFCCVEGCSA-N -1 0 313.357 2.235 50 0 DEAARM CCc1ncc(C(=O)NCCc2cccc(C(=O)[O-])c2)s1 ZINC000225553228 402321032 /nfs/dbraw/zinc/32/10/32/402321032.db2.gz BRHVUKNGTSWXGP-UHFFFAOYSA-N -1 0 304.371 2.376 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccc(F)cc2)c2ccccc21 ZINC000177476060 402406589 /nfs/dbraw/zinc/40/65/89/402406589.db2.gz IGHDGQYKSYFQSK-CQSZACIVSA-N -1 0 315.300 2.420 50 0 DEAARM Cc1nc(N[C@H](c2ccccn2)[C@H]2C[C@@H](O)C2)c(Cl)c(=O)[n-]1 ZINC000244852639 402450239 /nfs/dbraw/zinc/45/02/39/402450239.db2.gz UWDUEXLYAHUNDC-CWSCBRNRSA-N -1 0 320.780 2.463 50 0 DEAARM O=C([O-])c1ccc(/C=C/C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000237945251 402427160 /nfs/dbraw/zinc/42/71/60/402427160.db2.gz JEGLWIACLLUPOQ-VSZOKUSCSA-N -1 0 315.369 2.426 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)C1 ZINC000238015332 402431665 /nfs/dbraw/zinc/43/16/65/402431665.db2.gz SQHXEKLLHYXMOM-DYVFJYSZSA-N -1 0 317.385 2.404 50 0 DEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(F)cc1 ZINC000238090825 402437293 /nfs/dbraw/zinc/43/72/93/402437293.db2.gz GKSRJYOWLUYEFW-PXTSUWAFSA-N -1 0 321.348 2.321 50 0 DEAARM O=C([O-])C1CCN(C(=O)CCCOc2cccc(F)c2)CC1 ZINC000238101107 402438186 /nfs/dbraw/zinc/43/81/86/402438186.db2.gz VROWQPKENCTKLE-UHFFFAOYSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3[nH]2)CCO1 ZINC000238198402 402440626 /nfs/dbraw/zinc/44/06/26/402440626.db2.gz WUFIGMOAZNAPIU-LLVKDONJSA-N -1 0 322.748 2.137 50 0 DEAARM Cc1cccc([C@@H](NC(=O)c2nn(C)c3ccccc23)C(=O)[O-])c1 ZINC000244718873 402448530 /nfs/dbraw/zinc/44/85/30/402448530.db2.gz LSOWJUJZTZOAFM-OAHLLOKOSA-N -1 0 323.352 2.437 50 0 DEAARM Cc1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)cnn1C1CCCC1 ZINC000190483052 402604723 /nfs/dbraw/zinc/60/47/23/402604723.db2.gz LCUJSPAYLFWZPM-LBPRGKRZSA-N -1 0 305.378 2.243 50 0 DEAARM CC(C)c1cc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])[nH]n1 ZINC000262479490 402725969 /nfs/dbraw/zinc/72/59/69/402725969.db2.gz XVUDVCOSKNZGDG-GDLCADMTSA-N -1 0 305.378 2.391 50 0 DEAARM Cc1ncsc1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263010323 402740583 /nfs/dbraw/zinc/74/05/83/402740583.db2.gz LMXZYFYSRQWWKY-VIFPVBQESA-N -1 0 320.370 2.406 50 0 DEAARM Cc1cc(C(=O)N2CCC(n3cc(C(=O)[O-])cn3)CC2)c(C)o1 ZINC000263231430 402748059 /nfs/dbraw/zinc/74/80/59/402748059.db2.gz SCZMAKHTXIYONJ-UHFFFAOYSA-N -1 0 317.345 2.268 50 0 DEAARM Cc1ccc(C[C@H](C)NC(=O)c2cnc(C(=O)[O-])cn2)c(C)c1 ZINC000263293324 402755237 /nfs/dbraw/zinc/75/52/37/402755237.db2.gz RQNVCLMBFCXZSE-LBPRGKRZSA-N -1 0 313.357 2.153 50 0 DEAARM COc1cccc(C2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC000263533718 402778260 /nfs/dbraw/zinc/77/82/60/402778260.db2.gz NPHFZXKXRYYLNU-HUUCEWRRSA-N -1 0 303.358 2.122 50 0 DEAARM COc1cccc(C2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC000263533719 402778392 /nfs/dbraw/zinc/77/83/92/402778392.db2.gz NPHFZXKXRYYLNU-LSDHHAIUSA-N -1 0 303.358 2.122 50 0 DEAARM O=C([O-])[C@H]1Cc2nc(NC(=O)c3ccsc3)sc2C(=O)C1 ZINC000299763160 403568065 /nfs/dbraw/zinc/56/80/65/403568065.db2.gz PGZYHYPSBZNBRW-ZETCQYMHSA-N -1 0 322.367 2.287 50 0 DEAARM O=C([O-])C[C@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000299801174 403579457 /nfs/dbraw/zinc/57/94/57/403579457.db2.gz YYMLVWKPERXYEX-KRWDZBQOSA-N -1 0 319.332 2.240 50 0 DEAARM CCOc1ccccc1/C=C\C(=O)N1CCC(C(=O)[O-])CC1 ZINC000314072348 403993673 /nfs/dbraw/zinc/99/36/73/403993673.db2.gz LQVSGYZNRBHTSK-FPLPWBNLSA-N -1 0 303.358 2.422 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1F ZINC000316960698 404031251 /nfs/dbraw/zinc/03/12/51/404031251.db2.gz ZRTHTJFTSWPZGO-LEXSJLIMSA-N -1 0 307.321 2.171 50 0 DEAARM COCc1nc(=NC(=O)[C@@]2(C)CCc3ccccc3C2)s[n-]1 ZINC000329614809 404394696 /nfs/dbraw/zinc/39/46/96/404394696.db2.gz DAQCIQPZNPVPPZ-INIZCTEOSA-N -1 0 317.414 2.240 50 0 DEAARM COc1ccc(C2(C(=O)N3CC=C[C@H]3C(=O)[O-])CCCC2)cc1 ZINC000426527098 405366694 /nfs/dbraw/zinc/36/66/94/405366694.db2.gz XCCGSUMYIDGJRZ-HNNXBMFYSA-N -1 0 315.369 2.359 50 0 DEAARM COc1cc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)ccc1C(=O)[O-] ZINC000583652308 405781246 /nfs/dbraw/zinc/78/12/46/405781246.db2.gz LIAKPICOIQQYBI-JYAVWHMHSA-N -1 0 303.358 2.446 50 0 DEAARM C[S@@](=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000299746506 229389031 /nfs/dbraw/zinc/38/90/31/229389031.db2.gz XVMSDNKOVXIZMQ-AMXDTQDGSA-N -1 0 323.414 2.141 50 0 DEAARM CN(c1ccc(F)cc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000048441904 424833844 /nfs/dbraw/zinc/83/38/44/424833844.db2.gz MLTJKLQZTBUOTG-UHFFFAOYSA-N -1 0 315.347 2.411 50 0 DEAARM C[C@@H]1C[C@H]1COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000119995007 424853172 /nfs/dbraw/zinc/85/31/72/424853172.db2.gz BNKLUFSZPHPSBQ-SCZZXKLOSA-N -1 0 304.371 2.035 50 0 DEAARM CC[C@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000119571278 424853309 /nfs/dbraw/zinc/85/33/09/424853309.db2.gz DCBAAXHZJCGRFF-CZUORRHYSA-N -1 0 322.336 2.078 50 0 DEAARM CCn1nc(C)cc1C(=O)N1CC[C@H](C(=O)[O-])[C@H]2CCCC[C@H]21 ZINC000659193174 425545832 /nfs/dbraw/zinc/54/58/32/425545832.db2.gz ITWYPJZTXPSSTQ-HZSPNIEDSA-N -1 0 319.405 2.317 50 0 DEAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)c1cccc(C2CC2)c1 ZINC000655597326 425609223 /nfs/dbraw/zinc/60/92/23/425609223.db2.gz PSIWQRZSNZXFCB-MRXNPFEDSA-N -1 0 310.353 2.385 50 0 DEAARM Cc1nc2[n-]c(NC(=O)c3cccs3)nn2c(=O)c1Cl ZINC000008738697 279144902 /nfs/dbraw/zinc/14/49/02/279144902.db2.gz DUXWBPOMVYISTL-UHFFFAOYSA-N -1 0 309.738 2.106 50 0 DEAARM CCc1ccc(S(=O)(=O)N(C)[C@@H](C)C2CC2)cc1C(=O)[O-] ZINC000152943629 288541832 /nfs/dbraw/zinc/54/18/32/288541832.db2.gz RUGSUHWJZHHORV-JTQLQIEISA-N -1 0 311.403 2.366 50 0 DEAARM COc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1OC ZINC000002424779 295133569 /nfs/dbraw/zinc/13/35/69/295133569.db2.gz CCZRIRFQPUWXIS-LBPRGKRZSA-N -1 0 324.377 2.002 50 0 DEAARM Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)n1 ZINC000100621311 302004237 /nfs/dbraw/zinc/00/42/37/302004237.db2.gz PLZUEDWFLYAJGC-UHFFFAOYSA-N -1 0 321.336 2.219 50 0 biogenic DEAARM Cc1nc(C2CCCC2)sc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299751154 302583750 /nfs/dbraw/zinc/58/37/50/302583750.db2.gz PSXYXOFXPYRKPW-NSHDSACASA-N -1 0 324.402 2.035 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](CSc1ccccc1N)C(=O)[O-] ZINC000002525351 336221105 /nfs/dbraw/zinc/22/11/05/336221105.db2.gz YBVFEWAJVVFSOW-SNVBAGLBSA-N -1 0 312.391 2.339 50 0 DEAARM CCc1nc(-c2ccccc2NC(=O)c2ncccc2[O-])n[nH]1 ZINC000133046035 337383166 /nfs/dbraw/zinc/38/31/66/337383166.db2.gz DVMHGIINXBKMOD-UHFFFAOYSA-N -1 0 309.329 2.387 50 0 DEAARM Cc1ccc(F)c(-c2cc([N-]S(=O)(=O)c3cn[nH]c3)n[nH]2)c1 ZINC000188536037 337383558 /nfs/dbraw/zinc/38/35/58/337383558.db2.gz XNDPEKWXBGFYSM-UHFFFAOYSA-N -1 0 321.337 2.048 50 0 DEAARM COc1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177481015 534008752 /nfs/dbraw/zinc/00/87/52/534008752.db2.gz XEHRILCHVXGFOR-CQSZACIVSA-N -1 0 311.337 2.453 50 0 DEAARM CCN(C[C@@H]1CCCCO1)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426387802 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O=C([O-])C1CCC(NC(=O)Nc2ccn3ccnc3c2)CC1 ZINC000262987313 145316095 /nfs/dbraw/zinc/31/60/95/145316095.db2.gz CXOJGUQLGUEGKL-UHFFFAOYSA-N -1 0 302.334 2.099 50 0 DEAARM Cc1cc(C(=O)N2CCC[C@@]2(C)C(=O)[O-])ccc1-n1cccn1 ZINC000263182249 145333618 /nfs/dbraw/zinc/33/36/18/145333618.db2.gz KLBNGIAISZXKSG-KRWDZBQOSA-N -1 0 313.357 2.260 50 0 DEAARM Cc1c(Cl)c(C(=O)N2C[C@H](C(=O)[O-])c3ccccc32)nn1C ZINC000263197867 145335717 /nfs/dbraw/zinc/33/57/17/145335717.db2.gz MBGBJDOGYRGKSK-JTQLQIEISA-N -1 0 319.748 2.211 50 0 DEAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)c1 ZINC000004334110 401726127 /nfs/dbraw/zinc/72/61/27/401726127.db2.gz PECCAKLYYBKQMU-UHFFFAOYSA-N -1 0 320.418 2.211 50 0 DEAARM CCC(CC)(CC)NC(=O)c1cc(C)c2c(=O)[n-]c(=O)nc-2[nH]1 ZINC000073985749 401726258 /nfs/dbraw/zinc/72/62/58/401726258.db2.gz IVSZAGKXYSESQZ-UHFFFAOYSA-N -1 0 318.377 2.031 50 0 DEAARM C[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC000006848309 401733529 /nfs/dbraw/zinc/73/35/29/401733529.db2.gz 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Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3C)s1 ZINC000009572742 401763176 /nfs/dbraw/zinc/76/31/76/401763176.db2.gz MSPLNMSNFYLQGJ-UHFFFAOYSA-N -1 0 322.411 2.376 50 0 DEAARM O=C([O-])[C@@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000012322360 401783353 /nfs/dbraw/zinc/78/33/53/401783353.db2.gz UXFJCLGFSHHHSF-QMTHXVAHSA-N -1 0 302.330 2.090 50 0 DEAARM Cc1nn(C)cc1-c1nn(-c2ccc(F)cc2)cc1C(=O)[O-] ZINC000012394278 401784434 /nfs/dbraw/zinc/78/44/34/401784434.db2.gz CAZYVMXZPIHFIQ-UHFFFAOYSA-N -1 0 300.293 2.419 50 0 DEAARM COc1ccc(C[C@H](CNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000012648483 401789737 /nfs/dbraw/zinc/78/97/37/401789737.db2.gz RZILVXJBADJFIP-GFCCVEGCSA-N -1 0 309.362 2.463 50 0 DEAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(C)cc2)s1 ZINC000016623220 401820241 /nfs/dbraw/zinc/82/02/41/401820241.db2.gz MKBFJCLXWCIETG-UHFFFAOYSA-N -1 0 311.388 2.211 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])n1 ZINC000040714837 401926301 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2.092 50 0 DEAARM CCC[C@@H](C)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-] ZINC000095989878 402043398 /nfs/dbraw/zinc/04/33/98/402043398.db2.gz GWOIQKWVDRODJS-OCCSQVGLSA-N -1 0 307.390 2.491 50 0 DEAARM Cc1c(C(=O)NC[C@@H](C)CC(=O)[O-])cnn1-c1ccccc1C ZINC000095992062 402043694 /nfs/dbraw/zinc/04/36/94/402043694.db2.gz SVBVYNFSNIQAJL-NSHDSACASA-N -1 0 315.373 2.330 50 0 DEAARM CC(C)CN(CC(=O)[O-])C(=O)c1cnn(-c2ccccc2)c1 ZINC000096402435 402077655 /nfs/dbraw/zinc/07/76/55/402077655.db2.gz OYUPKARDAMLJSY-UHFFFAOYSA-N -1 0 301.346 2.055 50 0 DEAARM Cc1noc(-c2ccccc2)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000097115108 402109318 /nfs/dbraw/zinc/10/93/18/402109318.db2.gz YFGCROJRPLONEV-UHFFFAOYSA-N -1 0 318.358 2.184 50 0 DEAARM Cc1ccnc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000097114326 402109365 /nfs/dbraw/zinc/10/93/65/402109365.db2.gz FRELMPMQTWYBNA-UHFFFAOYSA-N -1 0 301.730 2.378 50 0 DEAARM Cc1oc(C)c(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)c1C(=O)[O-] ZINC000123673311 402141023 /nfs/dbraw/zinc/14/10/23/402141023.db2.gz 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/nfs/dbraw/zinc/17/09/15/402170915.db2.gz PLOSEVYCRKCIOL-UHFFFAOYSA-N -1 0 317.374 2.094 50 0 DEAARM Cn1cnc(S(=O)(=O)[N-]c2ccc(F)c(-n3cccc3)c2)c1 ZINC000069743216 402242426 /nfs/dbraw/zinc/24/24/26/402242426.db2.gz SDTSFKJYUPSFHM-UHFFFAOYSA-N -1 0 320.349 2.151 50 0 DEAARM CN(C)C(=O)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000071804948 402279739 /nfs/dbraw/zinc/27/97/39/402279739.db2.gz QNAWDJKOXVOCBG-UHFFFAOYSA-N -1 0 318.373 2.362 50 0 DEAARM COc1ccc(Cn2cc(-c3cncc(C(=O)[O-])n3)cn2)cc1 ZINC000215755861 402284811 /nfs/dbraw/zinc/28/48/11/402284811.db2.gz PDZVBMCKYSKSFR-UHFFFAOYSA-N -1 0 310.313 2.095 50 0 DEAARM COCCN(Cc1ccc(C)s1)Cc1c[nH]nc1C(=O)[O-] ZINC000218779702 402296627 /nfs/dbraw/zinc/29/66/27/402296627.db2.gz TXHUARASCQJCFQ-UHFFFAOYSA-N -1 0 309.391 2.126 50 0 DEAARM O=C([O-])Cn1cc(/C=C(\Cl)c2nc3ccc(F)cc3o2)nn1 ZINC000221990093 402305730 /nfs/dbraw/zinc/30/57/30/402305730.db2.gz FPIWSFYAAXFAAS-WTKPLQERSA-N -1 0 322.683 2.380 50 0 DEAARM C[C@H](CN(C(=O)c1ccn(-c2ccccc2)n1)C1CC1)C(=O)[O-] ZINC000225484954 402318901 /nfs/dbraw/zinc/31/89/01/402318901.db2.gz XPNZHDMDJLVSCA-GFCCVEGCSA-N -1 0 313.357 2.198 50 0 DEAARM CC(C)c1cc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)[nH]n1 ZINC000236684107 402373769 /nfs/dbraw/zinc/37/37/69/402373769.db2.gz XVUDVCOSKNZGDG-BPNCWPANSA-N -1 0 305.378 2.391 50 0 DEAARM CCOc1ccc(-c2noc(CN3CCC[C@H]3C(=O)[O-])n2)cc1 ZINC000236875531 402386610 /nfs/dbraw/zinc/38/66/10/402386610.db2.gz VYCZSTFGKKJJQN-ZDUSSCGKSA-N -1 0 317.345 2.184 50 0 DEAARM Cc1c2cccc(Cl)c2oc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237761045 402420345 /nfs/dbraw/zinc/42/03/45/402420345.db2.gz JDMXVLPVJFTHPI-NSHDSACASA-N -1 0 323.732 2.320 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)COc2ccccc2F)C1 ZINC000238002640 402431153 /nfs/dbraw/zinc/43/11/53/402431153.db2.gz JOEHELCWMLHTBG-GFCCVEGCSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])C1CCN(C(=O)C[C@@H]2OCCc3ccccc32)CC1 ZINC000238023375 402433108 /nfs/dbraw/zinc/43/31/08/402433108.db2.gz OZBBBGTVHMVUOO-HNNXBMFYSA-N -1 0 303.358 2.014 50 0 DEAARM O=C([O-])C1CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000238030004 402433675 /nfs/dbraw/zinc/43/36/75/402433675.db2.gz TWWUCCXKBGLYLX-STQMWFEESA-N -1 0 309.312 2.392 50 0 DEAARM CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000177808362 402438677 /nfs/dbraw/zinc/43/86/77/402438677.db2.gz FCQLWQLCECDKBI-KBPBESRZSA-N -1 0 318.373 2.200 50 0 DEAARM O=C(COC[C@H]1CCOC1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163573579 402452808 /nfs/dbraw/zinc/45/28/08/402452808.db2.gz YNAAPZQPFUOCPB-VIFPVBQESA-N -1 0 308.359 2.108 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000178268501 402478176 /nfs/dbraw/zinc/47/81/76/402478176.db2.gz UNQOOKXWSPLIQQ-SECBINFHSA-N -1 0 319.748 2.277 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000178274623 402478823 /nfs/dbraw/zinc/47/88/23/402478823.db2.gz UEEIWASNYXUZGI-JTQLQIEISA-N -1 0 319.748 2.277 50 0 DEAARM O=C([O-])[C@H](NC(=O)CCc1cc(Cl)no1)c1ccccc1 ZINC000252537193 402658515 /nfs/dbraw/zinc/65/85/15/402658515.db2.gz KQEMZUXBZHNVRH-CYBMUJFWSA-N -1 0 308.721 2.203 50 0 DEAARM CCn1cc(C(=O)N[C@@H](CC(F)F)C(=O)[O-])c2ccccc21 ZINC000262952807 402738192 /nfs/dbraw/zinc/73/81/92/402738192.db2.gz IOPMSMZBBBQSQN-NSHDSACASA-N -1 0 310.300 2.499 50 0 DEAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@@]3(C)C(=O)[O-])[nH]n2)o1 ZINC000263486278 402773724 /nfs/dbraw/zinc/77/37/24/402773724.db2.gz VRHWTBFNPGRHRB-HNNXBMFYSA-N -1 0 303.318 2.057 50 0 DEAARM CCC[C@]1(COC)CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000263573472 402783519 /nfs/dbraw/zinc/78/35/19/402783519.db2.gz MKBHZPGKRFTXPS-MRXNPFEDSA-N -1 0 306.362 2.201 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)[C@H]2Cc3ccccc3O2)c1 ZINC000320883955 404071660 /nfs/dbraw/zinc/07/16/60/404071660.db2.gz TWAIRMPRRABFEF-MRXNPFEDSA-N -1 0 311.337 2.047 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2nc(C3CCCCC3)no2)C1 ZINC000426383423 405356239 /nfs/dbraw/zinc/35/62/39/405356239.db2.gz XKYHXLIWGYLCNK-NWDGAFQWSA-N -1 0 321.377 2.234 50 0 DEAARM COc1cccc(CN(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000131887053 196207202 /nfs/dbraw/zinc/20/72/02/196207202.db2.gz UYUYFFMBRHUVCV-UHFFFAOYSA-N -1 0 316.386 2.020 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nc2c(s1)CCCC2 ZINC000040287833 418416485 /nfs/dbraw/zinc/41/64/85/418416485.db2.gz WZHPOCIXPSCJNG-UHFFFAOYSA-N -1 0 313.404 2.428 50 0 DEAARM O=C([O-])C1CCC(NC(=O)COc2ccc(F)cc2F)CC1 ZINC000299740838 229375523 /nfs/dbraw/zinc/37/55/23/229375523.db2.gz CBGDUNLHQVRXFG-UHFFFAOYSA-N -1 0 313.300 2.103 50 0 DEAARM Cc1ccc(NCc2nn3c([n-]2)nc2c(c3=O)CCC2)c(C)c1 ZINC000101803482 424847421 /nfs/dbraw/zinc/84/74/21/424847421.db2.gz PYUURVNGFUTUCA-UHFFFAOYSA-N -1 0 309.373 2.135 50 0 DEAARM O=c1c2c(nc3[n-]c(CNc4ccc(Cl)cc4)nn31)CCC2 ZINC000101803501 424847459 /nfs/dbraw/zinc/84/74/59/424847459.db2.gz AOMPXZFQMISUBL-UHFFFAOYSA-N -1 0 315.764 2.172 50 0 DEAARM Cc1cc(C(=O)[N-]c2nnc(-c3ccc4c(c3)OCO4)o2)on1 ZINC000011613069 280375312 /nfs/dbraw/zinc/37/53/12/280375312.db2.gz HFBTVPZXIDNSDL-UHFFFAOYSA-N -1 0 314.257 2.014 50 0 DEAARM COc1ccc2nc(NC(=O)CSCC(=O)[O-])sc2c1 ZINC000000417635 295280373 /nfs/dbraw/zinc/28/03/73/295280373.db2.gz NURQYBNFKXKMLG-UHFFFAOYSA-N -1 0 312.372 2.061 50 0 DEAARM C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000004089625 297224300 /nfs/dbraw/zinc/22/43/00/297224300.db2.gz BXFWZVGFFUOJQF-NFAWXSAZSA-N -1 0 304.390 2.370 50 0 biogenic DEAARM C[C@@H]1N(C(=O)c2ccc(C(=O)[O-])cc2)CCC12CCOCC2 ZINC000263580548 297515428 /nfs/dbraw/zinc/51/54/28/297515428.db2.gz WBPUPWQKCJEOAV-LBPRGKRZSA-N -1 0 303.358 2.416 50 0 DEAARM C[C@H](C(=O)[O-])N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000020130906 298215208 /nfs/dbraw/zinc/21/52/08/298215208.db2.gz QBFPTDSBIHPUFM-ZCFIWIBFSA-N -1 0 312.174 2.233 50 0 DEAARM Cc1cc(C)cc(OCCC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000237838640 301227567 /nfs/dbraw/zinc/22/75/67/301227567.db2.gz IGGGARPQTAVQTG-AWEZNQCLSA-N -1 0 305.374 2.396 50 0 DEAARM Cc1nc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cs1 ZINC000087427984 302554425 /nfs/dbraw/zinc/55/44/25/302554425.db2.gz LFVDKAQPDRJOCA-ZDUSSCGKSA-N -1 0 302.355 2.103 50 0 DEAARM Cc1[nH]n(C)c2nnc(NC(=O)c3cc(F)cc(Cl)c3[O-])c1-2 ZINC000089567321 302787339 /nfs/dbraw/zinc/78/73/39/302787339.db2.gz FDHVNXPHBDINTM-UHFFFAOYSA-N -1 0 323.715 2.355 50 0 DEAARM Cc1nn(CCC(=O)N[C@@H](CC(=O)[O-])CC(C)C)c(C)c1C ZINC000222267366 302805304 /nfs/dbraw/zinc/80/53/04/302805304.db2.gz KYRCAXXOHXNOSE-CQSZACIVSA-N -1 0 309.410 2.204 50 0 DEAARM [NH3+][C@@H](CCCCC[P@@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002139900 303448596 /nfs/dbraw/zinc/44/85/96/303448596.db2.gz HXFOQPAMWAWQNR-AWEZNQCLSA-N -1 0 313.334 2.472 50 0 biogenic DEAARM CCOc1ccccc1/C=C\C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000387749253 333170028 /nfs/dbraw/zinc/17/00/28/333170028.db2.gz AQNLVTPFXRHMPQ-JJEJIETFSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])[C@@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccoc1 ZINC000097231193 337382371 /nfs/dbraw/zinc/38/23/71/337382371.db2.gz LQQXZAFGECIVRF-CQSZACIVSA-N -1 0 316.288 2.326 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000070666377 500641736 /nfs/dbraw/zinc/64/17/36/500641736.db2.gz HPVJYDOAPSFAGJ-GJZGRUSLSA-N -1 0 312.369 2.409 50 0 biogenic DEAARM CCOc1cc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)ccc1OC ZINC000299740572 528217972 /nfs/dbraw/zinc/21/79/72/528217972.db2.gz ADNNBDSTCITEKY-INIZCTEOSA-N -1 0 307.346 2.031 50 0 DEAARM C[C@](NC(=O)[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC000766963484 640932818 /nfs/dbraw/zinc/93/28/18/640932818.db2.gz UOEXUTLHTHRHDN-BXKDBHETSA-N -1 0 302.157 2.296 50 0 DEAARM C/C(=C/C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1)C1CC1 ZINC000097036104 641615452 /nfs/dbraw/zinc/61/54/52/641615452.db2.gz LDBBXCPZTFSUNY-SMJHDNPOSA-N -1 0 303.362 2.101 50 0 DEAARM O=C([O-])[C@H](F)[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000952881378 792795960 /nfs/dbraw/zinc/79/59/60/792795960.db2.gz GQRZUNIIQUDPKA-YLWLKBPMSA-N -1 0 309.124 2.206 50 0 DEAARM CCC(=O)Nc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000952864055 792798544 /nfs/dbraw/zinc/79/85/44/792798544.db2.gz HVSTWCICBOTZTL-GFCCVEGCSA-N -1 0 324.764 2.378 50 0 DEAARM C[C@H]1CSc2ccccc2CN1C(=O)c1cc(=O)n(C)[n-]1 ZINC000952994657 792856500 /nfs/dbraw/zinc/85/65/00/792856500.db2.gz DUWRSRZYIMQRJI-JTQLQIEISA-N -1 0 303.387 2.262 50 0 DEAARM CN(Cc1cc(-c2cccnc2)no1)Cc1nc(C(=O)[O-])co1 ZINC001529158660 1070887156 /nfs/dbraw/zinc/88/71/56/1070887156.db2.gz ICWLSOFLJHMMGX-UHFFFAOYSA-N -1 0 314.301 2.055 50 0 DEAARM COc1ccc(F)cc1[C@H](C(=O)[O-])N1CCc2n[nH]c(C)c2C1 ZINC001529168438 1070896804 /nfs/dbraw/zinc/89/68/04/1070896804.db2.gz DGYZGUGOFDMJRY-OAHLLOKOSA-N -1 0 319.336 2.050 50 0 DEAARM CSc1ncc(C(=O)[O-])c(N(C)Cc2ncccc2C)n1 ZINC001529172783 1070902895 /nfs/dbraw/zinc/90/28/95/1070902895.db2.gz OILZGOHTCZFCRG-UHFFFAOYSA-N -1 0 304.375 2.237 50 0 DEAARM COc1cc(OC)cc([C@H](C(=O)[O-])N(C)Cc2ccccn2)c1 ZINC000095499627 185374817 /nfs/dbraw/zinc/37/48/17/185374817.db2.gz AULKTZODFGEVQI-MRXNPFEDSA-N -1 0 316.357 2.357 50 0 DEAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095446035 185367639 /nfs/dbraw/zinc/36/76/39/185367639.db2.gz OPPDYWOJXUYGIY-TUAOUCFPSA-N -1 0 317.418 2.079 50 0 DEAARM CC(C)(C)c1nc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)no1 ZINC000182945473 199513894 /nfs/dbraw/zinc/51/38/94/199513894.db2.gz XGHPOJRWWOQFMC-UHFFFAOYSA-N -1 0 323.374 2.103 50 0 DEAARM Cc1nnsc1C(=O)[N-]c1nonc1-c1ccc(C)cc1 ZINC000027788940 282372817 /nfs/dbraw/zinc/37/28/17/282372817.db2.gz JYRWHHLZFOYVNL-UHFFFAOYSA-N -1 0 301.331 2.457 50 0 DEAARM Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2cn[nH]n2)c1 ZINC000133597231 539508070 /nfs/dbraw/zinc/50/80/70/539508070.db2.gz OQJOJIMVSXJLJB-ZFWWWQNUSA-N -1 0 300.362 2.233 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cn1 ZINC000083755490 192381270 /nfs/dbraw/zinc/38/12/70/192381270.db2.gz UHRLCDNNLPDMGF-ZDUSSCGKSA-N -1 0 304.733 2.161 50 0 DEAARM Cc1nc(-c2ccc(N3CCC[C@H](C(=O)[O-])C3)c(F)c2)no1 ZINC000072264980 191089956 /nfs/dbraw/zinc/08/99/56/191089956.db2.gz HIWPWSFHQDEPLE-NSHDSACASA-N -1 0 305.309 2.485 50 0 DEAARM COc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)[O-])co2)cc1 ZINC000237479980 186295950 /nfs/dbraw/zinc/29/59/50/186295950.db2.gz NOPXQLQKMWPWRT-CQSZACIVSA-N -1 0 302.330 2.399 50 0 DEAARM COc1cccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000000613118 180829208 /nfs/dbraw/zinc/82/92/08/180829208.db2.gz MFDWDBVNODEDRR-UHFFFAOYSA-N -1 0 307.327 2.194 50 0 DEAARM COc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc(OC)c1 ZINC000001389951 180858976 /nfs/dbraw/zinc/85/89/76/180858976.db2.gz GGARAUDIGSZPSJ-UONOGXRCSA-N -1 0 305.330 2.309 50 0 DEAARM COC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCC2 ZINC000003634132 181042744 /nfs/dbraw/zinc/04/27/44/181042744.db2.gz GWMTWDVPECKOSZ-UHFFFAOYSA-N -1 0 311.359 2.217 50 0 DEAARM COc1cc(-c2noc(CCCC(=O)[O-])n2)cc(OC)c1OC ZINC000003882744 181052313 /nfs/dbraw/zinc/05/23/13/181052313.db2.gz YLTIWQPJXSUECM-UHFFFAOYSA-N -1 0 322.317 2.170 50 0 DEAARM CC1(C)[C@H]2CC[C@]1(CS(=O)(=O)[N-]c1ccccn1)C(=O)C2 ZINC000003841548 181047902 /nfs/dbraw/zinc/04/79/02/181047902.db2.gz NZJRKZFTKAPINZ-NHYWBVRUSA-N -1 0 308.403 2.219 50 0 DEAARM O=C([O-])C[C@@H]1Sc2nc3c(n2[C@]1(O)c1ccccc1)CCC3 ZINC000019909817 354045536 /nfs/dbraw/zinc/04/55/36/354045536.db2.gz XVZWCSRXWPHPIZ-BBRMVZONSA-N -1 0 316.382 2.014 50 0 DEAARM O=C([O-])c1cc2c(nc3ccccn3c2=O)n1Cc1ccccc1 ZINC000004205234 181085433 /nfs/dbraw/zinc/08/54/33/181085433.db2.gz JGKUVEBUQZYNGR-UHFFFAOYSA-N -1 0 319.320 2.396 50 0 DEAARM COC(=O)c1cccc(NC(=O)c2cccnc2C(=O)[O-])c1C ZINC000004384050 181104731 /nfs/dbraw/zinc/10/47/31/181104731.db2.gz USNCFHMCPPFNGU-UHFFFAOYSA-N -1 0 314.297 2.127 50 0 DEAARM O=C([O-])Cc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004487899 181113774 /nfs/dbraw/zinc/11/37/74/181113774.db2.gz AYCRHVQVOFXQMM-UHFFFAOYSA-N -1 0 313.309 2.337 50 0 DEAARM O=C([O-])CN(c1ccccc1F)S(=O)(=O)c1ccccc1 ZINC000004641817 181131442 /nfs/dbraw/zinc/13/14/42/181131442.db2.gz CEWNGHCLOILHLU-UHFFFAOYSA-N -1 0 309.318 2.106 50 0 DEAARM C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000004822767 181157055 /nfs/dbraw/zinc/15/70/55/181157055.db2.gz RUCBDLYUWODQFE-SNVBAGLBSA-N -1 0 301.298 2.496 50 0 DEAARM O=C([O-])CC1(CC(=O)NC[C@H](O)c2ccccc2)CCCC1 ZINC000000130381 304043310 /nfs/dbraw/zinc/04/33/10/304043310.db2.gz BGQSXZAEJLHOAF-AWEZNQCLSA-N -1 0 305.374 2.261 50 0 DEAARM CC[C@H]1[C@@H](c2ccc(C)cc2)CCN1C(=O)c1n[nH]c(=O)[n-]1 ZINC000075410093 355086007 /nfs/dbraw/zinc/08/60/07/355086007.db2.gz MDGYESZXJPSDBW-OLZOCXBDSA-N -1 0 300.362 2.227 50 0 DEAARM COc1ccc(-n2c(CN3CCSCC3)n[n-]c2=S)cc1 ZINC000004982454 181183818 /nfs/dbraw/zinc/18/38/18/181183818.db2.gz CDCYQFDXWRBORV-UHFFFAOYSA-N -1 0 322.459 2.487 50 0 DEAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000390937559 540136165 /nfs/dbraw/zinc/13/61/65/540136165.db2.gz IVLOUYBSDPPFSD-HWWQOWPSSA-N -1 0 319.357 2.071 50 0 DEAARM CCc1ccc(NCc2nn3c([n-]2)nc2c(c3=O)CCC2)cc1 ZINC000101803421 355710584 /nfs/dbraw/zinc/71/05/84/355710584.db2.gz AXJOJUIHGFVMEH-UHFFFAOYSA-N -1 0 309.373 2.081 50 0 DEAARM COc1ccc(Nc2nnc(C(C)(C)C)c(=O)[n-]2)cc1OC ZINC000005154462 181211167 /nfs/dbraw/zinc/21/11/67/181211167.db2.gz JDGHMFHZVYZUBB-UHFFFAOYSA-N -1 0 304.350 2.223 50 0 DEAARM CSCC[C@@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450947 181244637 /nfs/dbraw/zinc/24/46/37/181244637.db2.gz YPMYDSHISNOZST-CYBMUJFWSA-N -1 0 306.387 2.033 50 0 in-vitro DEAARM CCO[C@@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000236852988 202038029 /nfs/dbraw/zinc/03/80/29/202038029.db2.gz QGYNKEYJVXHBOV-LSDHHAIUSA-N -1 0 317.385 2.056 50 0 DEAARM COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237248360 202205040 /nfs/dbraw/zinc/20/50/40/202205040.db2.gz BRKHPFDCHMHKGZ-GXTWGEPZSA-N -1 0 305.374 2.340 50 0 DEAARM CC[C@@H](C)n1ncc([N-]S(=O)(=O)c2ccc(F)nc2)c1C ZINC000585140273 357338042 /nfs/dbraw/zinc/33/80/42/357338042.db2.gz BKMGKCWCOLFRCL-SECBINFHSA-N -1 0 312.370 2.497 50 0 DEAARM C[C@H](CCc1ccccc1F)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237522499 202271045 /nfs/dbraw/zinc/27/10/45/202271045.db2.gz QSLOATCSADTQIT-TZMCWYRMSA-N -1 0 323.364 2.097 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000237522859 202271054 /nfs/dbraw/zinc/27/10/54/202271054.db2.gz WHOSMXSTDINYPY-MRXNPFEDSA-N -1 0 309.337 2.308 50 0 DEAARM C[C@H](CC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1F ZINC000237539186 202275780 /nfs/dbraw/zinc/27/57/80/202275780.db2.gz QKGIQYRSPGUJGB-VXGBXAGGSA-N -1 0 309.337 2.021 50 0 DEAARM Cc1cc(C(=O)N(CC(=O)[O-])C2CC2)c(C)n1-c1nccs1 ZINC000237667264 202323102 /nfs/dbraw/zinc/32/31/02/202323102.db2.gz UOTIRXLBWVCBOT-UHFFFAOYSA-N -1 0 319.386 2.240 50 0 DEAARM Cc1nc2ccccc2c(C)c1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237752277 202345633 /nfs/dbraw/zinc/34/56/33/202345633.db2.gz FOYIJWYPKZTNBP-INIZCTEOSA-N -1 0 312.369 2.470 50 0 DEAARM O=S(=O)([O-])c1nc2ccccc2n1Cc1ccccc1F ZINC000006143675 181315831 /nfs/dbraw/zinc/31/58/31/181315831.db2.gz KIQSAQHJRPKGCG-UHFFFAOYSA-N -1 0 306.318 2.470 50 0 DEAARM COc1ccccc1C/C(C)=C\C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000606441019 361008437 /nfs/dbraw/zinc/00/84/37/361008437.db2.gz HXEDCCLMPVUSDK-HCYCVZQXSA-N -1 0 303.358 2.117 50 0 DEAARM O=C(c1nn(-c2ccc(Cl)cc2)cc1[O-])N1CCCCO1 ZINC000194563999 201253231 /nfs/dbraw/zinc/25/32/31/201253231.db2.gz VLASYGPURDBRRW-UHFFFAOYSA-N -1 0 307.737 2.399 50 0 DEAARM CCc1noc(CC)c1CC(=O)N[C@@H](C(=O)[O-])c1ccccc1 ZINC000195542666 201402984 /nfs/dbraw/zinc/40/29/84/201402984.db2.gz LYEZULBSPFPDEW-MRXNPFEDSA-N -1 0 316.357 2.284 50 0 DEAARM O=C([O-])CCC(=O)Nc1sccc1C(=O)NC1CCCC1 ZINC000006729953 181378497 /nfs/dbraw/zinc/37/84/97/181378497.db2.gz RGZZGBQEWAHHJA-UHFFFAOYSA-N -1 0 310.375 2.224 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)c[nH]1 ZINC000006779738 181386500 /nfs/dbraw/zinc/38/65/00/181386500.db2.gz YJAMIXRNGMDVPL-UHFFFAOYSA-N -1 0 308.359 2.219 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)cn1C ZINC000006777767 181386570 /nfs/dbraw/zinc/38/65/70/181386570.db2.gz CVLBZOHXKMFBPW-UHFFFAOYSA-N -1 0 322.386 2.229 50 0 DEAARM CCOc1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000006779760 181386575 /nfs/dbraw/zinc/38/65/75/181386575.db2.gz MYTFUAKOGPSKMO-UHFFFAOYSA-N -1 0 324.358 2.001 50 0 DEAARM CC(=O)N(C)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000006820860 181394813 /nfs/dbraw/zinc/39/48/13/181394813.db2.gz BWQLJWWQIZIBSQ-GJZGRUSLSA-N -1 0 316.357 2.275 50 0 DEAARM CCC[C@@H]1CN(C(=O)NCc2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000091807326 193111544 /nfs/dbraw/zinc/11/15/44/193111544.db2.gz REELEHORPPWQDT-TZMCWYRMSA-N -1 0 308.353 2.468 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H]1C1CC1 ZINC000091987558 193137603 /nfs/dbraw/zinc/13/76/03/193137603.db2.gz LJLCVEABULDMFM-UONOGXRCSA-N -1 0 306.337 2.078 50 0 DEAARM Cc1nn(C)c(C)c1C(=O)NC[C@@H](C(=O)[O-])C1CCCCC1 ZINC000630266208 367563204 /nfs/dbraw/zinc/56/32/04/367563204.db2.gz ZIFIBUJRJIHVLS-CYBMUJFWSA-N -1 0 307.394 2.048 50 0 DEAARM CC(C)CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C(=O)[O-])nn1C ZINC000630292068 367577885 /nfs/dbraw/zinc/57/78/85/367577885.db2.gz VPBAYOXKZPXNFQ-NEPJUHHUSA-N -1 0 307.394 2.453 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ncc(F)cc1F ZINC000263433462 304142624 /nfs/dbraw/zinc/14/26/24/304142624.db2.gz NZJDREVXPBRKSR-UWJYBYFXSA-N -1 0 310.300 2.218 50 0 DEAARM COc1ccc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000261906703 203148497 /nfs/dbraw/zinc/14/84/97/203148497.db2.gz XKVINOLIJLHXCS-GFCCVEGCSA-N -1 0 309.337 2.090 50 0 DEAARM COc1cc(C(=O)[O-])cc(NC(=O)c2c(C)noc2C)c1OC ZINC000262278180 203248899 /nfs/dbraw/zinc/24/88/99/203248899.db2.gz YZNOMAFAZLUKJF-UHFFFAOYSA-N -1 0 320.301 2.259 50 0 DEAARM CC[C@@H](C(=O)[O-])N1CCN(Cc2nc3ccccc3s2)CC1 ZINC000262423525 203290525 /nfs/dbraw/zinc/29/05/25/203290525.db2.gz QWBGYBRQCPXIRB-ZDUSSCGKSA-N -1 0 319.430 2.277 50 0 DEAARM COc1ccc2cc(C(=O)N[C@H](C)CC(=O)[O-])c(C)nc2c1 ZINC000262699666 203385308 /nfs/dbraw/zinc/38/53/08/203385308.db2.gz JNIIUCDZCYHZSW-SECBINFHSA-N -1 0 302.330 2.145 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2csc([C@H]3CCCO3)n2)o1 ZINC000262741998 203396881 /nfs/dbraw/zinc/39/68/81/203396881.db2.gz GXOSDXAKVXNJED-SNVBAGLBSA-N -1 0 322.342 2.216 50 0 DEAARM Cc1n[n-]c(SCc2c(F)c(F)c(F)c(F)c2F)nc1=O ZINC000096318761 193613746 /nfs/dbraw/zinc/61/37/46/193613746.db2.gz PAVBVWSVWKMMGY-UHFFFAOYSA-N -1 0 323.246 2.461 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1OC ZINC000013167006 181835642 /nfs/dbraw/zinc/83/56/42/181835642.db2.gz ANQPBZXIOBWVGX-GQCTYLIASA-N -1 0 319.357 2.040 50 0 DEAARM CCOC(=O)c1n[n-]n(-c2cc(Cl)cc(Cl)c2)c1=O ZINC000015924221 182024718 /nfs/dbraw/zinc/02/47/18/182024718.db2.gz FZOJPPCQOGQOCU-UHFFFAOYSA-N -1 0 302.117 2.456 50 0 DEAARM CCc1cccc(C)c1NC(=O)CSc1nc([O-])cc(=O)[nH]1 ZINC000016475476 182045869 /nfs/dbraw/zinc/04/58/69/182045869.db2.gz AGOQZAKFVWTCSO-UHFFFAOYSA-N -1 0 319.386 2.077 50 0 DEAARM O=c1c(-c2nc3ccccc3[nH]c2=O)c[n-]n1-c1ccccc1 ZINC000016974540 182067061 /nfs/dbraw/zinc/06/70/61/182067061.db2.gz UTYOBEQVFBAWGV-UHFFFAOYSA-N -1 0 304.309 2.069 50 0 DEAARM COc1ccc(OC)c([C@@H](C)NC(=O)C[C@H](C)CC(=O)[O-])c1 ZINC000017031955 182069778 /nfs/dbraw/zinc/06/97/78/182069778.db2.gz SCFRHQVACYLNRB-WDEREUQCSA-N -1 0 309.362 2.382 50 0 DEAARM C[C@@H](OCC(F)(F)F)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237397984 296205937 /nfs/dbraw/zinc/20/59/37/296205937.db2.gz HAYNCEGTOMYULR-ZJUUUORDSA-N -1 0 311.300 2.057 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000013260798 304183149 /nfs/dbraw/zinc/18/31/49/304183149.db2.gz KOPVNRDADVWBHT-JQWIXIFHSA-N -1 0 323.776 2.214 50 0 DEAARM CC[C@]1(C)NC(=O)N([N-]C(=O)c2oc3ccccc3c2C)C1=O ZINC000032997820 182687181 /nfs/dbraw/zinc/68/71/81/182687181.db2.gz GCAXHSAOTRGFIO-INIZCTEOSA-N -1 0 315.329 2.107 50 0 DEAARM O=C([O-])CN(C(=O)CCc1nc2ccccc2s1)C1CC1 ZINC000037589263 182911235 /nfs/dbraw/zinc/91/12/35/182911235.db2.gz BXFNHEHAUUFVON-UHFFFAOYSA-N -1 0 304.371 2.305 50 0 DEAARM COc1ccc(COC(=O)[C@@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000038634506 183004296 /nfs/dbraw/zinc/00/42/96/183004296.db2.gz JHALLYTYXLWETG-OAHLLOKOSA-N -1 0 316.309 2.312 50 0 DEAARM CSCC[C@H](NC(=O)CCn1ccc2ccccc21)C(=O)[O-] ZINC000040312629 183053561 /nfs/dbraw/zinc/05/35/61/183053561.db2.gz LKGDPJNMPZUZLB-ZDUSSCGKSA-N -1 0 320.414 2.354 50 0 biogenic DEAARM O=C([O-])c1ccc(Nc2nc3ccccc3c(NCCO)n2)cc1 ZINC000041149960 183177700 /nfs/dbraw/zinc/17/77/00/183177700.db2.gz CRGFCMDNXPVPAZ-UHFFFAOYSA-N -1 0 324.340 2.476 50 0 biogenic DEAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000041565008 183203536 /nfs/dbraw/zinc/20/35/36/183203536.db2.gz JINRKKBYQYYDRV-NXEZZACHSA-N -1 0 313.300 2.055 50 0 DEAARM CCCc1sc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1CC ZINC000043702187 183381949 /nfs/dbraw/zinc/38/19/49/183381949.db2.gz IKRBIJPCNMAIRF-NSHDSACASA-N -1 0 311.403 2.189 50 0 DEAARM CC(C)c1ncc(Cl)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000050363947 183782799 /nfs/dbraw/zinc/78/27/99/183782799.db2.gz RZSWOPVCZXUBLD-SECBINFHSA-N -1 0 311.769 2.190 50 0 DEAARM COc1ccc(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000268918635 207085921 /nfs/dbraw/zinc/08/59/21/207085921.db2.gz RDIWZXZPHLYWGO-UWVGGRQHSA-N -1 0 317.263 2.051 50 0 DEAARM CCN(C[C@@H]1CCCO1)C(=O)/C=C/c1ccc(C(=O)[O-])cc1 ZINC000268916573 207083803 /nfs/dbraw/zinc/08/38/03/207083803.db2.gz QNQHZZFBEWINSJ-VSGCLNPGSA-N -1 0 303.358 2.426 50 0 DEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)/C=C\c1ccccc1 ZINC000056695801 184017420 /nfs/dbraw/zinc/01/74/20/184017420.db2.gz PLYDEFCEXNMERT-KHPPLWFESA-N -1 0 302.355 2.198 50 0 DEAARM Cc1cccc(NC(=O)[C@@H](Cc2cccnc2)c2nnn[n-]2)c1C ZINC000057523519 184040772 /nfs/dbraw/zinc/04/07/72/184040772.db2.gz ZQPQALPDPXRLFI-AWEZNQCLSA-N -1 0 322.372 2.177 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(NCc3ccccc3)nc2)C1 ZINC000065385626 184333083 /nfs/dbraw/zinc/33/30/83/184333083.db2.gz HOMVPQCXUWZDOH-CYBMUJFWSA-N -1 0 311.341 2.131 50 0 DEAARM Cc1cc(CNC(=O)N[C@@](C)(C(=O)[O-])c2ccc(C)cc2)on1 ZINC000065554034 184365741 /nfs/dbraw/zinc/36/57/41/184365741.db2.gz FJEOESWBOLJEQY-MRXNPFEDSA-N -1 0 317.345 2.091 50 0 DEAARM CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000066057199 184385820 /nfs/dbraw/zinc/38/58/20/184385820.db2.gz LGLFADHZGPLCNN-OAHLLOKOSA-N -1 0 305.374 2.476 50 0 DEAARM CC[C@@H](Oc1ccccc1C)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000066057194 184386085 /nfs/dbraw/zinc/38/60/85/184386085.db2.gz KQZUKYFHMSMSSG-CQSZACIVSA-N -1 0 305.374 2.476 50 0 DEAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cccc(C)c1C ZINC000069492099 184519696 /nfs/dbraw/zinc/51/96/96/184519696.db2.gz GJYHRETVQHQGPC-ZBFHGGJFSA-N -1 0 305.374 2.314 50 0 DEAARM O=C([O-])c1cccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)c1 ZINC000004089530 304260843 /nfs/dbraw/zinc/26/08/43/304260843.db2.gz HGNCZWIESFNTCT-HNNXBMFYSA-N -1 0 322.320 2.278 50 0 biogenic DEAARM CC1(C)c2ccccc2N(CC2(O)CCC(C(=O)[O-])CC2)C1=O ZINC000521398432 257234467 /nfs/dbraw/zinc/23/44/67/257234467.db2.gz GXSIPILVENUDDV-UHFFFAOYSA-N -1 0 317.385 2.317 50 0 DEAARM CCOC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000071405191 257253773 /nfs/dbraw/zinc/25/37/73/257253773.db2.gz XAZIOURHZYSVNS-VXGBXAGGSA-N -1 0 305.330 2.303 50 0 DEAARM O=C(C[C@H]1C=CCC1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069594427 184820520 /nfs/dbraw/zinc/82/05/20/184820520.db2.gz ALVCFUHPCQFMPD-LBPRGKRZSA-N -1 0 316.382 2.396 50 0 DEAARM CC(C)c1noc(-c2ccnc(N(C)C[C@H](C)C(=O)[O-])c2)n1 ZINC000263547786 132591015 /nfs/dbraw/zinc/59/10/15/132591015.db2.gz IJOSUIPIALLCAX-JTQLQIEISA-N -1 0 304.350 2.412 50 0 DEAARM Cc1oc(CNC(=O)[C@@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000376509930 133298233 /nfs/dbraw/zinc/29/82/33/133298233.db2.gz SXLVJPHOAVFOOX-CYBMUJFWSA-N -1 0 301.298 2.079 50 0 DEAARM COc1ccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c(Cl)c1 ZINC000128532220 195971746 /nfs/dbraw/zinc/97/17/46/195971746.db2.gz JJYXQGUNCHFFQX-NSHDSACASA-N -1 0 311.765 2.214 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)[C@H]1CCc2cc(F)ccc21)CC1CC1 ZINC000563448978 292058017 /nfs/dbraw/zinc/05/80/17/292058017.db2.gz DJAYSYFJCUTAKO-DOMZBBRYSA-N -1 0 305.349 2.473 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1ccc2ccccc2c1)[C@@H]1CCCOC1 ZINC000262720695 145302067 /nfs/dbraw/zinc/30/20/67/145302067.db2.gz DULCPBRDXMVVCH-HZPDHXFCSA-N -1 0 313.353 2.449 50 0 DEAARM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)CCc2ccoc2)C1 ZINC000262929797 145312033 /nfs/dbraw/zinc/31/20/33/145312033.db2.gz GXCBZWOFXFMKFM-LBPRGKRZSA-N -1 0 305.252 2.078 50 0 DEAARM Cc1cnccc1NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263089001 145323922 /nfs/dbraw/zinc/32/39/22/145323922.db2.gz SFWNATOQTRZRLR-RKDXNWHRSA-N -1 0 317.267 2.117 50 0 DEAARM Cc1nc(-c2ccccc2)ncc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000263185846 145333745 /nfs/dbraw/zinc/33/37/45/145333745.db2.gz HXLAHSDBFBZQGL-BETUJISGSA-N -1 0 311.341 2.045 50 0 DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccccc2F)cc1 ZINC000002954892 401720243 /nfs/dbraw/zinc/72/02/43/401720243.db2.gz JGPYEJAIONGROF-UHFFFAOYSA-N -1 0 323.345 2.414 50 0 DEAARM Nc1c(Br)cc(S(=O)(=O)[O-])c2ccccc12 ZINC000003123050 401722096 /nfs/dbraw/zinc/72/20/96/401722096.db2.gz VHMAXQPOQONGJS-UHFFFAOYSA-N -1 0 302.149 2.431 50 0 DEAARM O=C([O-])CCCN1C(=O)[C@@H](c2ccccc2)Oc2cccnc21 ZINC000006751398 401732747 /nfs/dbraw/zinc/73/27/47/401732747.db2.gz BOBQOIJTZCZWLK-OAHLLOKOSA-N -1 0 312.325 2.413 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OC)c(Cl)c2)cn1 ZINC000006742447 401732790 /nfs/dbraw/zinc/73/27/90/401732790.db2.gz CNVGFDHWTVANQP-UHFFFAOYSA-N -1 0 315.782 2.366 50 0 DEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)/C=C/c1ccccc1 ZINC000007056138 401736128 /nfs/dbraw/zinc/73/61/28/401736128.db2.gz PLYDEFCEXNMERT-ZHACJKMWSA-N -1 0 302.355 2.198 50 0 DEAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)on2)cc1 ZINC000000093573 401688039 /nfs/dbraw/zinc/68/80/39/401688039.db2.gz ZEFAIIMWAHCEND-UHFFFAOYSA-N -1 0 309.347 2.132 50 0 DEAARM COc1cc(C)nc([N-]S(=O)(=O)c2ccccc2Cl)n1 ZINC000000182372 401689440 /nfs/dbraw/zinc/68/94/40/401689440.db2.gz CXFFWPVMHWZQIZ-UHFFFAOYSA-N -1 0 313.766 2.248 50 0 DEAARM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1c(F)cccc1F ZINC000000182916 401689463 /nfs/dbraw/zinc/68/94/63/401689463.db2.gz DIKVLCIVURPDME-UHFFFAOYSA-N -1 0 315.279 2.367 50 0 DEAARM O=C([O-])C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000000323758 401694323 /nfs/dbraw/zinc/69/43/23/401694323.db2.gz MDJITYWHEVEXJY-UHFFFAOYSA-N -1 0 319.382 2.325 50 0 DEAARM COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000321497 401694397 /nfs/dbraw/zinc/69/43/97/401694397.db2.gz AIUKHSIQGFTDMT-UHFFFAOYSA-N -1 0 307.327 2.194 50 0 DEAARM CN(Cc1ccccc1)C(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000000382763 401695976 /nfs/dbraw/zinc/69/59/76/401695976.db2.gz MYXUPLTYDVRNCF-UHFFFAOYSA-N -1 0 318.398 2.330 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2cnn(CC(F)F)c2)cc1F ZINC000071909726 401696550 /nfs/dbraw/zinc/69/65/50/401696550.db2.gz SMRAISYVXCDCGT-UHFFFAOYSA-N -1 0 319.308 2.397 50 0 DEAARM CC(=O)Oc1ccc(-c2cccc(C(=O)NCC(=O)[O-])c2)cc1 ZINC000000459237 401698722 /nfs/dbraw/zinc/69/87/22/401698722.db2.gz LLLCDAFKOGLFGA-UHFFFAOYSA-N -1 0 313.309 2.093 50 0 DEAARM O=S(=O)([N-]c1nnc(C(F)(F)F)s1)c1ccccc1 ZINC000001150440 401704683 /nfs/dbraw/zinc/70/46/83/401704683.db2.gz YHTDPSNGBGWFKO-UHFFFAOYSA-N -1 0 309.294 2.358 50 0 DEAARM Cc1ccc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2C[C@@H]2CCOC2)cc1 ZINC000072275753 401705439 /nfs/dbraw/zinc/70/54/39/401705439.db2.gz HFAHAIVJPFUXBG-JLJPHGGASA-N -1 0 317.385 2.396 50 0 DEAARM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2C[C@@H]2CCOC2)cc1 ZINC000072275751 401705651 /nfs/dbraw/zinc/70/56/51/401705651.db2.gz HFAHAIVJPFUXBG-YSVLISHTSA-N -1 0 317.385 2.396 50 0 DEAARM O=C([O-])CN1C(=O)S/C(=C\c2c[nH]c3ccccc23)C1=O ZINC000001485300 401707864 /nfs/dbraw/zinc/70/78/64/401707864.db2.gz NZKJOIVNMMAUDS-WZUFQYTHSA-N -1 0 302.311 2.289 50 0 DEAARM O=C([O-])COc1ccccc1/C=C1/N=C(c2ccccc2)OC1=O ZINC000001688817 401709913 /nfs/dbraw/zinc/70/99/13/401709913.db2.gz UOZROCYNJRNIIC-GXDHUFHOSA-N -1 0 323.304 2.495 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000013170276 401797631 /nfs/dbraw/zinc/79/76/31/401797631.db2.gz LHPCZGNUMZFQFE-CFNZNRNTSA-N -1 0 319.357 2.040 50 0 DEAARM Cc1ccnn1-c1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013260754 401798227 /nfs/dbraw/zinc/79/82/27/401798227.db2.gz ZLFCVWAWCZYHOK-AWEZNQCLSA-N -1 0 313.357 2.118 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1 ZINC000013261587 401798263 /nfs/dbraw/zinc/79/82/63/401798263.db2.gz CPCRQWUQNSFBSD-HNNXBMFYSA-N -1 0 311.337 2.252 50 0 DEAARM CCCc1cc(=O)oc2cc(OCc3nnn[n-]3)c(Cl)cc12 ZINC000013804867 401804741 /nfs/dbraw/zinc/80/47/41/401804741.db2.gz MCHSBJIWBTYFIA-UHFFFAOYSA-N -1 0 320.736 2.491 50 0 DEAARM Cc1cc(=O)n2nc(NC(=O)c3ccccc3Cl)[n-]c2n1 ZINC000008738415 401756247 /nfs/dbraw/zinc/75/62/47/401756247.db2.gz UMRGFLQUSMNSIV-UHFFFAOYSA-N -1 0 303.709 2.044 50 0 DEAARM CCSc1nnc([N-]S(=O)(=O)c2ccccc2)s1 ZINC000075284492 401756669 /nfs/dbraw/zinc/75/66/69/401756669.db2.gz CYEWKIWTNUFYPJ-UHFFFAOYSA-N -1 0 301.418 2.451 50 0 DEAARM Cc1nc2[n-]c(NC(=O)c3ccccc3)nn2c(=O)c1Cl ZINC000009202664 401759942 /nfs/dbraw/zinc/75/99/42/401759942.db2.gz MOKBBSRYQJORKV-UHFFFAOYSA-N -1 0 303.709 2.044 50 0 DEAARM Cc1n[nH]c(SC(=Cc2ccc3c(c2)OCO3)C(=O)[O-])n1 ZINC000009411668 401762267 /nfs/dbraw/zinc/76/22/67/401762267.db2.gz SSYSATUFBDSWML-VZUCSPMQSA-N -1 0 305.315 2.060 50 0 DEAARM COC(=O)Cc1cc(=O)n(-c2ccc(OC(F)(F)F)cc2)[n-]1 ZINC000009482708 401763009 /nfs/dbraw/zinc/76/30/09/401763009.db2.gz AHAJQTQEKOWHIS-UHFFFAOYSA-N -1 0 316.235 2.192 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccco1 ZINC000010720892 401771692 /nfs/dbraw/zinc/77/16/92/401771692.db2.gz VFSYSHPKKLBMPQ-SNAWJCMRSA-N -1 0 315.354 2.249 50 0 DEAARM CCC(CC)c1nc2ccccc2c(N[C@H](CO)C(=O)[O-])n1 ZINC000012101353 401779337 /nfs/dbraw/zinc/77/93/37/401779337.db2.gz SMIBEBMSDUFGCC-CYBMUJFWSA-N -1 0 303.362 2.391 50 0 DEAARM Cc1cc(C)c2nc(C)cc(C(=O)N[C@H](C)c3nnn[n-]3)c2c1 ZINC000077436728 401815137 /nfs/dbraw/zinc/81/51/37/401815137.db2.gz TVUSQEPXGCXXAO-LLVKDONJSA-N -1 0 310.361 2.164 50 0 DEAARM Cc1nc(-c2ccccc2F)sc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000032104018 401876525 /nfs/dbraw/zinc/87/65/25/401876525.db2.gz KDGBDNQATGBXJY-QMMMGPOBSA-N -1 0 308.334 2.461 50 0 DEAARM COc1ccc(/C=C2/SC(=O)N([C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000033931562 401892332 /nfs/dbraw/zinc/89/23/32/401892332.db2.gz RONGUDWUOIRGNR-LBTPYSACSA-N -1 0 307.327 2.205 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1csc(Br)c1 ZINC000037435291 401913582 /nfs/dbraw/zinc/91/35/82/401913582.db2.gz CMPSDEZSHLFPNZ-ZETCQYMHSA-N -1 0 304.165 2.200 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2sccc2-n2cccc2)C1 ZINC000037436532 401913958 /nfs/dbraw/zinc/91/39/58/401913958.db2.gz YLYDCSFQMOLAJM-LLVKDONJSA-N -1 0 304.371 2.476 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]C(=O)c2cncc(C)c2)c(C)s1 ZINC000089591503 401953015 /nfs/dbraw/zinc/95/30/15/401953015.db2.gz VKRYHANHYDMVAI-UHFFFAOYSA-N -1 0 310.400 2.187 50 0 DEAARM CC(C)Oc1ccccc1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136140351 401961037 /nfs/dbraw/zinc/96/10/37/401961037.db2.gz DPBFXZHSMNXNBD-CQSZACIVSA-N -1 0 305.374 2.340 50 0 DEAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136485058 401968330 /nfs/dbraw/zinc/96/83/30/401968330.db2.gz SLHMLCMJXMSXRK-LBPRGKRZSA-N -1 0 318.329 2.251 50 0 DEAARM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])nn1-c1ccccc1 ZINC000136472266 401968572 /nfs/dbraw/zinc/96/85/72/401968572.db2.gz AFCQPZBKWKGMJK-HNNXBMFYSA-N -1 0 313.357 2.260 50 0 DEAARM O=C([O-])c1ccc(NC(=O)Cc2cc3ccccc3[nH]c2=O)cc1 ZINC000089873024 401969213 /nfs/dbraw/zinc/96/92/13/401969213.db2.gz JKCXAXMBIKOSDW-UHFFFAOYSA-N -1 0 322.320 2.408 50 0 DEAARM CCc1ccsc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090938957 401989530 /nfs/dbraw/zinc/98/95/30/401989530.db2.gz RFGGGOWZDVNWOM-UHFFFAOYSA-N -1 0 310.400 2.438 50 0 DEAARM CC(C)[C@@H](NC(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000050039844 402023905 /nfs/dbraw/zinc/02/39/05/402023905.db2.gz WQOGNBMCKJIRPU-GFCCVEGCSA-N -1 0 314.179 2.217 50 0 DEAARM CC(C)[C@H](NC(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000050039841 402024018 /nfs/dbraw/zinc/02/40/18/402024018.db2.gz WQOGNBMCKJIRPU-LBPRGKRZSA-N -1 0 314.179 2.217 50 0 DEAARM C[C@H](CN(C)C(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000050040138 402024331 /nfs/dbraw/zinc/02/43/31/402024331.db2.gz MFXFZVSTKSFKDY-SECBINFHSA-N -1 0 314.179 2.171 50 0 DEAARM CCn1cnnc1CN1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095359242 402027706 /nfs/dbraw/zinc/02/77/06/402027706.db2.gz SZLIEIPPAHGCKL-OAHLLOKOSA-N -1 0 314.389 2.376 50 0 DEAARM O=C([O-])CCC1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000050923481 402030604 /nfs/dbraw/zinc/03/06/04/402030604.db2.gz XEOSQINZZSROQC-UHFFFAOYSA-N -1 0 315.366 2.091 50 0 DEAARM O=C(NC1CC1)[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000051444028 402034299 /nfs/dbraw/zinc/03/42/99/402034299.db2.gz KUNHPXQIRQZVNN-NSHDSACASA-N -1 0 322.792 2.176 50 0 DEAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000095970258 402038537 /nfs/dbraw/zinc/03/85/37/402038537.db2.gz PEFRQSFLFCFUED-QGZVFWFLSA-N -1 0 315.373 2.305 50 0 DEAARM CCN(Cc1noc(C)n1)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055060821 402074863 /nfs/dbraw/zinc/07/48/63/402074863.db2.gz NMCAJAPZQSKCOZ-CQSZACIVSA-N -1 0 307.325 2.473 50 0 DEAARM Cc1cc(CNC(=O)CSc2n[n-]c(=S)s2)c(C)o1 ZINC000096446789 402089153 /nfs/dbraw/zinc/08/91/53/402089153.db2.gz RIQBGLXPTRMSHN-UHFFFAOYSA-N -1 0 315.445 2.445 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2cccc(F)c2F)c(C)n1 ZINC000096469260 402093002 /nfs/dbraw/zinc/09/30/02/402093002.db2.gz XJUKDTVNWHIDLX-UHFFFAOYSA-N -1 0 314.313 2.478 50 0 DEAARM CC(C)c1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)nn1C ZINC000097045122 402101910 /nfs/dbraw/zinc/10/19/10/402101910.db2.gz ORMCVWWCRBFLER-LBPRGKRZSA-N -1 0 307.394 2.261 50 0 DEAARM Cc1[nH]c(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)c(C)c1C(=O)[O-] ZINC000097610110 402128795 /nfs/dbraw/zinc/12/87/95/402128795.db2.gz ZPTVQROXEDFIRX-NSHDSACASA-N -1 0 316.361 2.073 50 0 DEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1 ZINC000101417312 402144726 /nfs/dbraw/zinc/14/47/26/402144726.db2.gz UCUYULHKBQEMBL-HZPDHXFCSA-N -1 0 320.352 2.488 50 0 DEAARM CSCC[C@@H](NC(=O)Cc1c(C)[nH]c2ccccc21)C(=O)[O-] ZINC000067604005 402164526 /nfs/dbraw/zinc/16/45/26/402164526.db2.gz BNLMCNZEKQFLNJ-CQSZACIVSA-N -1 0 320.414 2.341 50 0 DEAARM O=C([N-]S(=O)(=O)c1cccc2cnccc21)c1ccsc1 ZINC000069594749 402233960 /nfs/dbraw/zinc/23/39/60/402233960.db2.gz NNUSGCPMIUUAJV-UHFFFAOYSA-N -1 0 318.379 2.415 50 0 DEAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2c(C)noc2C)c1C ZINC000069978610 402254001 /nfs/dbraw/zinc/25/40/01/402254001.db2.gz YORMEXIVWGOZEX-UHFFFAOYSA-N -1 0 324.358 2.187 50 0 DEAARM Cc1c(C(=O)[O-])cnn1-c1cc(-c2nc(C(C)C)no2)ccn1 ZINC000070451540 402260736 /nfs/dbraw/zinc/26/07/36/402260736.db2.gz RXAGHWDNDDWTBC-UHFFFAOYSA-N -1 0 313.317 2.447 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000125005577 402207945 /nfs/dbraw/zinc/20/79/45/402207945.db2.gz CWFRURCBJNAUDV-INIZCTEOSA-N -1 0 300.314 2.278 50 0 DEAARM C[C@H](c1ccc(Cl)cc1Cl)N(C)CC(=O)NCC(=O)[O-] ZINC000225568248 402321418 /nfs/dbraw/zinc/32/14/18/402321418.db2.gz HQSOSXHOFVXMCC-MRVPVSSYSA-N -1 0 319.188 2.187 50 0 DEAARM CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000071288491 402272324 /nfs/dbraw/zinc/27/23/24/402272324.db2.gz MVNSCANAADYRSI-QWHCGFSZSA-N -1 0 318.373 2.120 50 0 DEAARM CO[C@@H](C[N-]S(=O)(=O)c1c(F)cccc1F)c1ccco1 ZINC000206864195 402277057 /nfs/dbraw/zinc/27/70/57/402277057.db2.gz DNXNASNSWUMCQL-LBPRGKRZSA-N -1 0 317.313 2.224 50 0 DEAARM Cc1ccc([C@H](NC(=O)c2n[nH]c(=O)[n-]2)c2ccccc2)cc1C ZINC000071819843 402281621 /nfs/dbraw/zinc/28/16/21/402281621.db2.gz CHQQSJHERMNZKL-OAHLLOKOSA-N -1 0 322.368 2.234 50 0 DEAARM C[C@@H]1CN(C(=O)C[C@@H](CC(=O)[O-])c2cccs2)C[C@@H](C)O1 ZINC000223125134 402309598 /nfs/dbraw/zinc/30/95/98/402309598.db2.gz LPIKQIJUIMAKEN-UTUOFQBUSA-N -1 0 311.403 2.332 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2c(C)n(C)c3ccccc32)no1 ZINC000225435642 402317329 /nfs/dbraw/zinc/31/73/29/402317329.db2.gz ILOCVNKSQWTUOJ-UHFFFAOYSA-N -1 0 320.374 2.233 50 0 DEAARM CC[C@@H](NC(=O)Nc1ccc(OC)c(OC(F)F)c1)C(=O)[O-] ZINC000225565525 402320982 /nfs/dbraw/zinc/32/09/82/402320982.db2.gz PCRLZGWREBARFL-MRVPVSSYSA-N -1 0 318.276 2.281 50 0 DEAARM CC(C)COc1ccc(CC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000236668405 402372600 /nfs/dbraw/zinc/37/26/00/402372600.db2.gz FLMDWZDFOJVSLC-CQSZACIVSA-N -1 0 305.374 2.197 50 0 DEAARM O=C([O-])C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CC1 ZINC000238026371 402432785 /nfs/dbraw/zinc/43/27/85/402432785.db2.gz TWWUCCXKBGLYLX-CHWSQXEVSA-N -1 0 309.312 2.392 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)/C=C/c1ccc2c(c1)CCO2 ZINC000238048065 402434428 /nfs/dbraw/zinc/43/44/28/402434428.db2.gz XHANDEWCRMCNPX-HZRUHFOJSA-N -1 0 301.342 2.100 50 0 DEAARM CCC[C@H](NC(=O)Cc1ccc(F)cc1Cl)c1nnn[n-]1 ZINC000164429468 402462449 /nfs/dbraw/zinc/46/24/49/402462449.db2.gz RKGCCLXMMVTHRB-NSHDSACASA-N -1 0 311.748 2.192 50 0 DEAARM Cn1c(=O)oc2ccc(NC(=O)CC3(C(=O)[O-])CCCC3)cc21 ZINC000170618703 402507973 /nfs/dbraw/zinc/50/79/73/402507973.db2.gz LMMMGGZEYQCZRL-UHFFFAOYSA-N -1 0 318.329 2.105 50 0 DEAARM CC(=O)N1N=C(c2c([O-])cc(C)oc2=O)C[C@H]1c1ccccc1 ZINC000170625901 402508259 /nfs/dbraw/zinc/50/82/59/402508259.db2.gz OMDAQRLBLMGVKC-AWEZNQCLSA-N -1 0 312.325 2.351 50 0 DEAARM O=C([O-])c1csc(CNC(=O)c2ccn(C3CCCC3)n2)n1 ZINC000181863883 402658752 /nfs/dbraw/zinc/65/87/52/402658752.db2.gz GWFSAYNQLHAHEW-UHFFFAOYSA-N -1 0 320.374 2.083 50 0 DEAARM Cn1cc([N-]S(=O)(=O)c2c(Cl)ccc(F)c2F)cn1 ZINC000252498203 402656554 /nfs/dbraw/zinc/65/65/54/402656554.db2.gz QWOLRQGIRHGRSM-UHFFFAOYSA-N -1 0 307.709 2.153 50 0 DEAARM Cc1cc(C)n(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)n1 ZINC000191406328 402667396 /nfs/dbraw/zinc/66/73/96/402667396.db2.gz DILGGWYRLYNIHP-NSHDSACASA-N -1 0 315.373 2.402 50 0 DEAARM COCc1cccc(CC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000262946607 402738136 /nfs/dbraw/zinc/73/81/36/402738136.db2.gz CWJMVYMWZZZSJR-UHFFFAOYSA-N -1 0 305.374 2.135 50 0 DEAARM COc1ccc([C@H](NC(=O)c2ccc(C)n2C)C(=O)[O-])cc1F ZINC000263161044 402745980 /nfs/dbraw/zinc/74/59/80/402745980.db2.gz 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ZINC000244719092 225217905 /nfs/dbraw/zinc/21/79/05/225217905.db2.gz LWRUCBQIXMSZEY-BETUJISGSA-N -1 0 321.421 2.475 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccccc2-c2ccccc2)CCO1 ZINC000408513457 227235715 /nfs/dbraw/zinc/23/57/15/227235715.db2.gz OHFSLLUCHYAGGX-INIZCTEOSA-N -1 0 311.337 2.279 50 0 DEAARM Cn1c2ccccc2c([O-])c(S(=O)(=O)C2CCCCC2)c1=O ZINC000101416414 424847001 /nfs/dbraw/zinc/84/70/01/424847001.db2.gz VDAMNDKUVJCGIQ-UHFFFAOYSA-N -1 0 321.398 2.351 50 0 DEAARM C[C@@H]1C[C@H](C)[C@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)O1 ZINC000649239844 424975277 /nfs/dbraw/zinc/97/52/77/424975277.db2.gz LCUSMPOUMRHSRY-WOSRLPQWSA-N -1 0 305.374 2.303 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1[nH]c(=O)c2ccccc2c1C ZINC000655538071 425595353 /nfs/dbraw/zinc/59/53/53/425595353.db2.gz CHRRGNZLPVAQMA-UHFFFAOYSA-N -1 0 302.330 2.186 50 0 DEAARM CC(=O)Nc1cccc(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000071658595 278207561 /nfs/dbraw/zinc/20/75/61/278207561.db2.gz VHGOJIKRMDDTBL-UHFFFAOYSA-N -1 0 304.346 2.162 50 0 DEAARM CC(C)N(CC(=O)[O-])C(=O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000328587529 279405256 /nfs/dbraw/zinc/40/52/56/279405256.db2.gz AFBFFLVQQXWPHS-CXAGYDPISA-N -1 0 303.358 2.048 50 0 DEAARM CN1C(=O)[C@H](C(=O)[O-])[C@H]2c3ccccc3O[C@@]13CCCC[C@@H]23 ZINC000013517664 289857511 /nfs/dbraw/zinc/85/75/11/289857511.db2.gz JUWAKUBFCACRJR-HVOFVXBASA-N -1 0 301.342 2.222 50 0 DEAARM COCc1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])o1 ZINC000299747413 293302335 /nfs/dbraw/zinc/30/23/35/293302335.db2.gz CXTAKGIGACSKTA-AWEZNQCLSA-N -1 0 315.325 2.078 50 0 DEAARM CO[N-]C(=O)[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCOC1 ZINC000408519399 293375335 /nfs/dbraw/zinc/37/53/35/293375335.db2.gz USXSTIUERRWGQZ-CYBMUJFWSA-N -1 0 303.280 2.332 50 0 DEAARM CO[C@@H]1[C@H](C)[C@H](NC(=O)CCc2ccccc2C(=O)[O-])C1(C)C ZINC000262749387 294011341 /nfs/dbraw/zinc/01/13/41/294011341.db2.gz JUXMQGBFGRNEMS-XFBWCDHKSA-N -1 0 319.401 2.493 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCCC[C@@H]2C)sc1C(=O)[O-] ZINC000037238539 301380739 /nfs/dbraw/zinc/38/07/39/301380739.db2.gz DFKSPAHKTIDEAR-VIFPVBQESA-N -1 0 303.405 2.318 50 0 DEAARM Cc1cccc([C@H](C(=O)NC2(C(=O)[O-])CCCC2)N(C)C)c1 ZINC000095505388 302028002 /nfs/dbraw/zinc/02/80/02/302028002.db2.gz IHUVQWWCTAUWHY-CQSZACIVSA-N -1 0 304.390 2.111 50 0 DEAARM Cc1cnn(CCC(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000095960565 302401122 /nfs/dbraw/zinc/40/11/22/302401122.db2.gz NVDUCGSJRWNCGT-CQSZACIVSA-N -1 0 319.336 2.053 50 0 DEAARM Cc1nn(C)c2c1[C@@H](c1ccc(C(=O)[O-])cc1)SCC(=O)N2 ZINC000049545260 302788621 /nfs/dbraw/zinc/78/86/21/302788621.db2.gz WJRSZTMXSZAXMT-CYBMUJFWSA-N -1 0 317.370 2.201 50 0 DEAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1ccc2c(c1)OCO2 ZINC000299741750 534499994 /nfs/dbraw/zinc/49/99/94/534499994.db2.gz FULNVCQQEGAIRW-UHFFFAOYSA-N -1 0 313.309 2.142 50 0 DEAARM CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@H](C)C(=O)[O-])cc1 ZINC000263539968 535359133 /nfs/dbraw/zinc/35/91/33/535359133.db2.gz CAHCTMYPGWREDW-JTQLQIEISA-N -1 0 306.362 2.264 50 0 DEAARM CC[C@](CNC(=O)[C@@H]1CCCCO1)(C(=O)[O-])c1ccccc1 ZINC000262955045 535869158 /nfs/dbraw/zinc/86/91/58/535869158.db2.gz INRWNKRGAORNCC-WMLDXEAASA-N -1 0 305.374 2.104 50 0 DEAARM COC(=O)C[C@@H](c1ccccc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205981412 563592795 /nfs/dbraw/zinc/59/27/95/563592795.db2.gz WEXJBEPSFQOCNA-ZDUSSCGKSA-N -1 0 324.336 2.095 50 0 DEAARM O=C([O-])c1ccc(/C=C/C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000888095914 635529183 /nfs/dbraw/zinc/52/91/83/635529183.db2.gz KONWVPISIKUMGC-FSNWXROXSA-N -1 0 314.385 2.095 50 0 DEAARM COc1ccccc1O[C@@H](C)CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000585079436 635706357 /nfs/dbraw/zinc/70/63/57/635706357.db2.gz NCGLJSOXGXAHBG-LBPRGKRZSA-N -1 0 323.389 2.470 50 0 DEAARM C/C(=C/C(=O)N1CCC[C@H](n2cc(C(=O)[O-])cn2)C1)C1CC1 ZINC000097036102 641615972 /nfs/dbraw/zinc/61/59/72/641615972.db2.gz LDBBXCPZTFSUNY-JOHMGYAOSA-N -1 0 303.362 2.101 50 0 DEAARM CCc1nc(=NCc2cccc(C3(C)OCCO3)c2)s[n-]1 ZINC000585092480 789693128 /nfs/dbraw/zinc/69/31/28/789693128.db2.gz 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/nfs/dbraw/zinc/47/51/89/529475189.db2.gz ALBBTGOUEUAQBY-LLVKDONJSA-N -1 0 307.394 2.137 50 0 DEAARM CCC[C@H](NC(=O)c1cc(F)c(F)cc1Cl)c1nnn[n-]1 ZINC000089949615 185271040 /nfs/dbraw/zinc/27/10/40/185271040.db2.gz LLOREZDGPADJPP-JTQLQIEISA-N -1 0 315.711 2.403 50 0 DEAARM CCCc1cc(C(=O)N[C@@H](C(=O)[O-])c2cccc(F)c2)no1 ZINC000095392938 185351859 /nfs/dbraw/zinc/35/18/59/185351859.db2.gz UQOKTMQKHASKBN-CYBMUJFWSA-N -1 0 306.293 2.322 50 0 DEAARM CC(C)c1cc([N-]S(=O)(=O)c2cccc3nonc32)on1 ZINC000095435868 185364879 /nfs/dbraw/zinc/36/48/79/185364879.db2.gz VNHORDXASJQDCI-UHFFFAOYSA-N -1 0 308.319 2.135 50 0 DEAARM Cc1ccccc1C[C@@H](CNC(=O)c1cscn1)C(=O)[O-] ZINC000097018826 185397967 /nfs/dbraw/zinc/39/79/67/185397967.db2.gz QTFPVAMWXUBDMR-LBPRGKRZSA-N -1 0 304.371 2.125 50 0 DEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)CCn2ccc3ccccc32)C1 ZINC000097039281 185401883 /nfs/dbraw/zinc/40/18/83/185401883.db2.gz KELRSURPNUVYQS-UONOGXRCSA-N -1 0 300.358 2.401 50 0 DEAARM Cc1cc(=O)n(C)cc1NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000085356789 539400003 /nfs/dbraw/zinc/40/00/03/539400003.db2.gz ZKTVSVUQVHEXJA-UHFFFAOYSA-N -1 0 315.354 2.376 50 0 DEAARM O=C([O-])CN(C(=O)c1cc2c(s1)CCCC2)C1CCOCC1 ZINC000238112220 282382520 /nfs/dbraw/zinc/38/25/20/282382520.db2.gz IBWNLNVWEGMJLD-UHFFFAOYSA-N -1 0 323.414 2.333 50 0 DEAARM CC1(C)[C@H](C(=O)Nc2ccc3occc(=O)c3c2)[C@@H]1C(=O)[O-] ZINC000071288357 190953357 /nfs/dbraw/zinc/95/33/57/190953357.db2.gz JUEVJDCTZPFJQY-QWHCGFSZSA-N -1 0 301.298 2.088 50 0 DEAARM C[C@@H](NC(=O)CSc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237620636 539747613 /nfs/dbraw/zinc/74/76/13/539747613.db2.gz MQHSWTIYSPMEHW-SSDOTTSWSA-N -1 0 307.293 2.387 50 0 DEAARM Cc1cccc([C@@H](C)C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000237447859 186290637 /nfs/dbraw/zinc/29/06/37/186290637.db2.gz TVSPXEWSIKFSAM-CYBMUJFWSA-N -1 0 305.374 2.191 50 0 DEAARM C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237501404 186298243 /nfs/dbraw/zinc/29/82/43/186298243.db2.gz FUXDDTGFIHMNKY-IUODEOHRSA-N -1 0 323.364 2.097 50 0 DEAARM C[C@@H](C(=O)[O-])n1cc(I)c(C2CC2)n1 ZINC000072339390 191126223 /nfs/dbraw/zinc/12/62/23/191126223.db2.gz CEFCWOSFDITBHG-YFKPBYRVSA-N -1 0 306.103 2.011 50 0 DEAARM Cc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000000083469 180687035 /nfs/dbraw/zinc/68/70/35/180687035.db2.gz LIZVXGBYTGTTTI-CQSZACIVSA-N -1 0 305.355 2.099 50 0 DEAARM Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C(=O)[O-])cc3)C2=O)cc1 ZINC000002502329 180928726 /nfs/dbraw/zinc/92/87/26/180928726.db2.gz NWHJOLAJQKIVMA-HNNXBMFYSA-N -1 0 324.336 2.437 50 0 DEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2oc(N)nc2c1 ZINC000003888412 181052817 /nfs/dbraw/zinc/05/28/17/181052817.db2.gz HYIGKSKNTOEEFM-UHFFFAOYSA-N -1 0 319.342 2.219 50 0 DEAARM CCN(CC(=O)[O-])S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000004259017 181089501 /nfs/dbraw/zinc/08/95/01/181089501.db2.gz KOGVLZUUCJEMEB-UHFFFAOYSA-N -1 0 312.174 2.089 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3)c=2c(=O)n1-c1ccccc1 ZINC000004483599 181113058 /nfs/dbraw/zinc/11/30/58/181113058.db2.gz HHHFRPXNRGDFQJ-CABCVRRESA-N -1 0 324.315 2.319 50 0 DEAARM CCc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1 ZINC000004660876 181133738 /nfs/dbraw/zinc/13/37/38/181133738.db2.gz AMLMCXYDIOYUEN-UHFFFAOYSA-N -1 0 321.354 2.454 50 0 DEAARM Cc1ccccc1OCC(=O)Nc1cnn(CCCC(=O)[O-])c1 ZINC000004769943 181149891 /nfs/dbraw/zinc/14/98/91/181149891.db2.gz WSVLBVSYJSPHDH-UHFFFAOYSA-N -1 0 317.345 2.074 50 0 DEAARM CCCS(=O)(=O)[N-]C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000076018715 355119567 /nfs/dbraw/zinc/11/95/67/355119567.db2.gz FZGZIWATFXAWRP-VXGBXAGGSA-N -1 0 301.795 2.300 50 0 DEAARM COc1cccc(CSc2nn3c([n-]2)nc(C)cc3=O)c1 ZINC000101297757 355709035 /nfs/dbraw/zinc/70/90/35/355709035.db2.gz HLCIXDBEUBPEAY-UHFFFAOYSA-N -1 0 302.359 2.027 50 0 DEAARM CCC(=O)[N-]S(=O)(=O)Cc1ccc(C)cc1Br ZINC000193735796 356229578 /nfs/dbraw/zinc/22/95/78/356229578.db2.gz ZWEVJFKSPCDAIU-UHFFFAOYSA-N -1 0 320.208 2.114 50 0 DEAARM C[C@@H](CN(C(=O)c1ccc(-n2cccn2)cc1)C1CC1)C(=O)[O-] ZINC000195552034 356256398 /nfs/dbraw/zinc/25/63/98/356256398.db2.gz LZQLEBJUBZLDGU-LBPRGKRZSA-N -1 0 313.357 2.198 50 0 DEAARM CCC[C@@H](C)CS(=O)(=O)[N-]C(=O)Cc1nc(C)sc1C ZINC000252478039 356334128 /nfs/dbraw/zinc/33/41/28/356334128.db2.gz AARCBCSKDHZWND-SECBINFHSA-N -1 0 318.464 2.185 50 0 DEAARM CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000236889959 202054822 /nfs/dbraw/zinc/05/48/22/202054822.db2.gz QMBZJIVMUHPAEM-WBMJQRKESA-N -1 0 309.337 2.306 50 0 DEAARM CC[C@@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000236899541 202059939 /nfs/dbraw/zinc/05/99/39/202059939.db2.gz FVLCSHFLZQOMBE-ZIAGYGMSSA-N -1 0 324.808 2.456 50 0 DEAARM CCOC1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CC1 ZINC000237027908 202127537 /nfs/dbraw/zinc/12/75/37/202127537.db2.gz OCQVYFYKXYRNOB-VMPITWQZSA-N -1 0 303.358 2.426 50 0 DEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1CC12CCOCC2 ZINC000237046076 202133544 /nfs/dbraw/zinc/13/35/44/202133544.db2.gz XSOYZOYIYZUVOQ-CQSZACIVSA-N -1 0 303.358 2.160 50 0 DEAARM CCc1c(C(=O)NCc2ccc(C(=O)[O-])o2)[nH]c(C)c1C(C)=O ZINC000237106679 202155225 /nfs/dbraw/zinc/15/52/25/202155225.db2.gz CAYUUIHYRKHQMT-UHFFFAOYSA-N -1 0 318.329 2.309 50 0 DEAARM O=c1nc(-c2ncc([O-])cn2)[nH]c2sc3c(c21)CCCC3 ZINC000585137415 357337965 /nfs/dbraw/zinc/33/79/65/357337965.db2.gz XUGNVIRFMLDWJT-UHFFFAOYSA-N -1 0 300.343 2.438 50 0 DEAARM O=C([O-])CCn1c(=O)sc2cc(Br)ccc21 ZINC000039315664 304065299 /nfs/dbraw/zinc/06/52/99/304065299.db2.gz JOAISFNQNSIVHZ-UHFFFAOYSA-N -1 0 302.149 2.300 50 0 DEAARM CCC[C@H](NC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000180190919 199128738 /nfs/dbraw/zinc/12/87/38/199128738.db2.gz LWCQOBUZHUTKKG-ZETCQYMHSA-N -1 0 306.181 2.494 50 0 DEAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccccc1Cl ZINC000237280492 202213912 /nfs/dbraw/zinc/21/39/12/202213912.db2.gz RQWSTWYHRFTNBK-NWDGAFQWSA-N -1 0 311.765 2.003 50 0 DEAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237325273 202232079 /nfs/dbraw/zinc/23/20/79/202232079.db2.gz 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ZINC000237700168 202332583 /nfs/dbraw/zinc/33/25/83/202332583.db2.gz WFPVUILIWCGSET-LLVKDONJSA-N -1 0 318.348 2.481 50 0 DEAARM Cc1c2cc(F)ccc2sc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237761138 202348757 /nfs/dbraw/zinc/34/87/57/202348757.db2.gz WAISDMNCKLFSOP-NSHDSACASA-N -1 0 323.345 2.274 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCC1CCOCC1 ZINC000237965541 202407192 /nfs/dbraw/zinc/40/71/92/202407192.db2.gz UUJRAQPEENIXSA-KKUMJFAQSA-N -1 0 309.406 2.438 50 0 DEAARM COc1cccc(/C(C)=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000606441338 361008218 /nfs/dbraw/zinc/00/82/18/361008218.db2.gz ONJLBAYMZUDJIF-QJWNTBNXSA-N -1 0 303.358 2.422 50 0 DEAARM COc1cccc(/C(C)=C\C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000606441314 361008416 /nfs/dbraw/zinc/00/84/16/361008416.db2.gz GYGIRUMDSMSGAT-BENRWUELSA-N -1 0 303.358 2.422 50 0 DEAARM COc1ccccc1C[C@@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000271888272 209297931 /nfs/dbraw/zinc/29/79/31/209297931.db2.gz GRHZSGVFZCPMAX-TTZDDIAXSA-N -1 0 317.385 2.101 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)C[C@H]1CCOc2ccccc21 ZINC000095424205 304102600 /nfs/dbraw/zinc/10/26/00/304102600.db2.gz DDFIFMZSRIRIMM-OCCSQVGLSA-N -1 0 303.358 2.409 50 0 DEAARM CC(C)(C)NC(=O)CCCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000006533481 181350267 /nfs/dbraw/zinc/35/02/67/181350267.db2.gz MKGAASXIFWTVID-UHFFFAOYSA-N -1 0 323.418 2.094 50 0 DEAARM COC(=O)c1ccc(C)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000006730998 181379169 /nfs/dbraw/zinc/37/91/69/181379169.db2.gz FCLUYNZFHMTKNA-OLZOCXBDSA-N -1 0 317.341 2.387 50 0 DEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(Cc4ccccc4)c=3c2=O)cc1 ZINC000006770301 181385876 /nfs/dbraw/zinc/38/58/76/181385876.db2.gz UCUYULHKBQEMBL-JKSUJKDBSA-N -1 0 320.352 2.488 50 0 DEAARM NC(=O)CC[C@@H](C(=O)[O-])n1cnc(-c2ccccc2)c1C1CC1 ZINC000092019671 193143063 /nfs/dbraw/zinc/14/30/63/193143063.db2.gz WWDQTKUICYGTBJ-ZDUSSCGKSA-N -1 0 313.357 2.319 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F ZINC000299752913 304146465 /nfs/dbraw/zinc/14/64/65/304146465.db2.gz VYWCPWCTWAUFBL-BBBLOLIVSA-N -1 0 305.227 2.266 50 0 DEAARM COc1cccc(SCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262233741 203236094 /nfs/dbraw/zinc/23/60/94/203236094.db2.gz AVGTUSJKWBUWGA-CYBMUJFWSA-N -1 0 309.387 2.253 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ncc(F)cc1F ZINC000263433461 304149841 /nfs/dbraw/zinc/14/98/41/304149841.db2.gz NZJDREVXPBRKSR-FXAINCCUSA-N -1 0 310.300 2.218 50 0 DEAARM O=C([O-])[C@@H](CC(F)(F)F)NC(=O)Cc1c[nH]c2ccccc12 ZINC000262534338 203321773 /nfs/dbraw/zinc/32/17/73/203321773.db2.gz QCJNYDQFVXTKMM-LLVKDONJSA-N -1 0 314.263 2.232 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@H]1COc2ccccc21 ZINC000268934642 304152486 /nfs/dbraw/zinc/15/24/86/304152486.db2.gz FTNVNWWVGIFXKU-HOTGVXAUSA-N -1 0 323.348 2.201 50 0 DEAARM O=C([O-])c1ccc(CNS(=O)(=O)CC23CCC(CC2)C3)cc1 ZINC000262697373 203385722 /nfs/dbraw/zinc/38/57/22/203385722.db2.gz YATIWPHFVSVSBL-UHFFFAOYSA-N -1 0 323.414 2.385 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 ZINC000095970014 193466735 /nfs/dbraw/zinc/46/67/35/193466735.db2.gz OUSYKXLDXHNTGB-SMDDNHRTSA-N -1 0 318.373 2.218 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 ZINC000095970016 193467293 /nfs/dbraw/zinc/46/72/93/193467293.db2.gz OUSYKXLDXHNTGB-BXUZGUMPSA-N -1 0 318.373 2.218 50 0 DEAARM COc1ccc(OC)c(/C=C\C(=O)N(C)CCCC(=O)[O-])c1 ZINC000096295743 193610327 /nfs/dbraw/zinc/61/03/27/193610327.db2.gz JTZWBDSSDFDAPX-TWGQIWQCSA-N -1 0 307.346 2.040 50 0 DEAARM CCc1nnc2n1NC(c1cccs1)=C(CC(=O)[O-])S2 ZINC000008391830 181554029 /nfs/dbraw/zinc/55/40/29/181554029.db2.gz RGDWUZJAOKXKNR-MRVPVSSYSA-N -1 0 308.388 2.103 50 0 DEAARM CSCCC(=O)Nc1cc2c(cc1C(=O)[O-])OCCCO2 ZINC000009550365 181629289 /nfs/dbraw/zinc/62/92/89/181629289.db2.gz IKRRILPGNDFMDJ-UHFFFAOYSA-N -1 0 311.359 2.238 50 0 DEAARM O=C([O-])c1cc(Cl)ccc1OCC(=O)NCc1ccco1 ZINC000013083435 181826533 /nfs/dbraw/zinc/82/65/33/181826533.db2.gz KEQFOVWNPRCKDK-UHFFFAOYSA-N -1 0 309.705 2.326 50 0 DEAARM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)Cc1ccccc1 ZINC000013269310 181840753 /nfs/dbraw/zinc/84/07/53/181840753.db2.gz PQHAHJDEWJQLPC-UHFFFAOYSA-N -1 0 317.366 2.277 50 0 DEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2cccc(-c3ccno3)c2)n1 ZINC000013642337 181871762 /nfs/dbraw/zinc/87/17/62/181871762.db2.gz HBPHXQQWVGRETO-UHFFFAOYSA-N -1 0 312.285 2.026 50 0 DEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2coc(Br)c2)C1 ZINC000097231736 193695512 /nfs/dbraw/zinc/69/55/12/193695512.db2.gz ZHOHDODMRMRAHQ-POYBYMJQSA-N -1 0 302.124 2.025 50 0 DEAARM O=C([O-])c1sccc1S(=O)(=O)NC1CCCCCC1 ZINC000015424103 182001745 /nfs/dbraw/zinc/00/17/45/182001745.db2.gz JYEKTNPDJCEWJR-UHFFFAOYSA-N -1 0 303.405 2.447 50 0 DEAARM C[C@H](NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S)C1CC1 ZINC000018208214 182098816 /nfs/dbraw/zinc/09/88/16/182098816.db2.gz XIXKKRJMALMRGX-JTQLQIEISA-N -1 0 317.414 2.364 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc2c(c(Cl)c1)OCO2 ZINC000037410886 304178259 /nfs/dbraw/zinc/17/82/59/304178259.db2.gz GENBCTARXXANPQ-SNVBAGLBSA-N -1 0 311.721 2.148 50 0 DEAARM CSc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1 ZINC000019962469 182170893 /nfs/dbraw/zinc/17/08/93/182170893.db2.gz XUUJTJGNQWBTEJ-LBPRGKRZSA-N -1 0 302.359 2.292 50 0 DEAARM CCOc1ccc(Cc2nnc(S[C@H](C)C(=O)[O-])n2C)cc1 ZINC000020462977 182220644 /nfs/dbraw/zinc/22/06/44/182220644.db2.gz NFHPACKKLRDARR-SNVBAGLBSA-N -1 0 321.402 2.370 50 0 DEAARM CCOc1ccc(Cc2nnc(S[C@@H](C)C(=O)[O-])n2C)cc1 ZINC000020462974 182220682 /nfs/dbraw/zinc/22/06/82/182220682.db2.gz NFHPACKKLRDARR-JTQLQIEISA-N -1 0 321.402 2.370 50 0 DEAARM COc1cccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)c1 ZINC000023125914 182349533 /nfs/dbraw/zinc/34/95/33/182349533.db2.gz HTKJKSDXDYLSMD-LSDHHAIUSA-N -1 0 322.324 2.193 50 0 DEAARM O=C([O-])c1csc(Nc2ccc(Cn3cncn3)cc2)n1 ZINC000036047704 182793941 /nfs/dbraw/zinc/79/39/41/182793941.db2.gz OZSLFMOWJYFHOP-UHFFFAOYSA-N -1 0 301.331 2.225 50 0 DEAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCCCC2)c2ccccc21 ZINC000036365888 182819797 /nfs/dbraw/zinc/81/97/97/182819797.db2.gz LMBLOVKRZCCRKT-MRXNPFEDSA-N -1 0 316.357 2.338 50 0 DEAARM C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc21)C(=O)[O-] ZINC000040312660 183053599 /nfs/dbraw/zinc/05/35/99/183053599.db2.gz FRKPJPGPVCOENO-NSHDSACASA-N -1 0 321.336 2.500 50 0 biogenic DEAARM CN(C(=O)c1cccc(NCC(=O)[O-])c1)C(C1CC1)C1CC1 ZINC000055393171 183984499 /nfs/dbraw/zinc/98/44/99/183984499.db2.gz NOBVOUYGVQNZMQ-UHFFFAOYSA-N -1 0 302.374 2.444 50 0 DEAARM CCC(CC)C(=O)Nc1cccc(Cn2[n-]c(=O)ccc2=O)c1 ZINC000056095787 184005117 /nfs/dbraw/zinc/00/51/17/184005117.db2.gz YRKGYDWQEPMDAN-UHFFFAOYSA-N -1 0 315.373 2.372 50 0 DEAARM Cc1oc(CN(C)C(=O)[C@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000268944443 207109025 /nfs/dbraw/zinc/10/90/25/207109025.db2.gz VNTJHTBXLKAFRH-AWEZNQCLSA-N -1 0 315.325 2.421 50 0 DEAARM O=S(=O)([N-]c1ccc2c[nH]nc2c1)c1c[nH]c2ncccc12 ZINC000057115895 184027232 /nfs/dbraw/zinc/02/72/32/184027232.db2.gz BTMAUVFFUNOALH-UHFFFAOYSA-N -1 0 313.342 2.240 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccc(F)cc32)cc1 ZINC000058496717 184120253 /nfs/dbraw/zinc/12/02/53/184120253.db2.gz YGSSKEJWGKAURC-UHFFFAOYSA-N -1 0 321.329 2.275 50 0 DEAARM COc1cccc(NCc2nn(CCc3ccccc3)c(=O)[n-]2)c1 ZINC000061719243 184185243 /nfs/dbraw/zinc/18/52/43/184185243.db2.gz LNLLRWZWJUVMFH-UHFFFAOYSA-N -1 0 324.384 2.435 50 0 DEAARM CCc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccccc2)s1 ZINC000065183818 184314027 /nfs/dbraw/zinc/31/40/27/184314027.db2.gz FDWRCFOBHUDXJR-UHFFFAOYSA-N -1 0 322.415 2.462 50 0 DEAARM CC(C)O[C@@H](C)c1nnc(SCC(=O)[O-])n1-c1cccnc1 ZINC000065525764 184359889 /nfs/dbraw/zinc/35/98/89/184359889.db2.gz KNYBJYVVQUPLTG-JTQLQIEISA-N -1 0 322.390 2.325 50 0 DEAARM O=C([O-])c1ccc(-n2c(=O)[nH]nc2CCc2ccccc2)cc1 ZINC000065506708 184356822 /nfs/dbraw/zinc/35/68/22/184356822.db2.gz OLISFSRZJUTBHX-UHFFFAOYSA-N -1 0 309.325 2.044 50 0 DEAARM O=C([O-])C1(C(=O)N2CC[C@@H](Oc3ccccc3Cl)C2)CC1 ZINC000119006203 194954331 /nfs/dbraw/zinc/95/43/31/194954331.db2.gz QXSMTRIKGYSIDH-SNVBAGLBSA-N -1 0 309.749 2.185 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)cc1 ZINC000019773370 304246313 /nfs/dbraw/zinc/24/63/13/304246313.db2.gz RSYBDRBOQGBIFC-RYUDHWBXSA-N -1 0 305.717 2.407 50 0 DEAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCCc1nccs1 ZINC000391125760 257242067 /nfs/dbraw/zinc/24/20/67/257242067.db2.gz OHIHLEPJYOKEEV-UHFFFAOYSA-N -1 0 307.375 2.149 50 0 DEAARM Cc1ccc(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cn1 ZINC000265592570 257257464 /nfs/dbraw/zinc/25/74/64/257257464.db2.gz PUVABTYZQFNHRG-ZNMIVQPWSA-N -1 0 302.374 2.177 50 0 DEAARM COc1cc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc(OC)c1 ZINC000299390823 533463435 /nfs/dbraw/zinc/46/34/35/533463435.db2.gz JVTPVKCKMQWYRB-ONEGZZNKSA-N -1 0 319.357 2.040 50 0 DEAARM CCC[C@@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000263470814 132588161 /nfs/dbraw/zinc/58/81/61/132588161.db2.gz LIWXRURFVAUXTG-CQSZACIVSA-N -1 0 306.362 2.095 50 0 DEAARM CCc1nnc(C)cc1C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000262072020 145259158 /nfs/dbraw/zinc/25/91/58/145259158.db2.gz GGEQQSRQIJZITA-GFCCVEGCSA-N -1 0 305.378 2.207 50 0 DEAARM Cc1c(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cnn1C(C)C ZINC000262871699 145308149 /nfs/dbraw/zinc/30/81/49/145308149.db2.gz GDZPRTGXWYBEDM-OUCADQQQSA-N -1 0 305.378 2.098 50 0 DEAARM COc1cc(NC(=O)c2ccn(C(C)C)n2)ccc1C(=O)[O-] ZINC000263019217 145318384 /nfs/dbraw/zinc/31/83/84/145318384.db2.gz TVSCJUZSRNHAJM-UHFFFAOYSA-N -1 0 303.318 2.423 50 0 DEAARM COc1cc(C(=O)[O-])ccc1NC(=O)c1ccn(C(C)C)n1 ZINC000263035333 145319389 /nfs/dbraw/zinc/31/93/89/145319389.db2.gz VFDUUENAPNIOSH-UHFFFAOYSA-N -1 0 303.318 2.423 50 0 DEAARM O=C([O-])CCC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 ZINC000008187241 401749634 /nfs/dbraw/zinc/74/96/34/401749634.db2.gz YAXJCHMIKIMUQX-UHFFFAOYSA-N -1 0 319.342 2.199 50 0 DEAARM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cn(C)nc1C ZINC000006742225 401732223 /nfs/dbraw/zinc/73/22/23/401732223.db2.gz GHEVNHLPKHEVBX-UHFFFAOYSA-N -1 0 315.782 2.191 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2cccc(C(C)=O)c2)cn1 ZINC000007056559 401736272 /nfs/dbraw/zinc/73/62/72/401736272.db2.gz WANCUDXSKOXEQK-UHFFFAOYSA-N -1 0 306.343 2.094 50 0 DEAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=S)Nc1ccccc1 ZINC000000174779 401689241 /nfs/dbraw/zinc/68/92/41/401689241.db2.gz MJMJHKHZDLOSLW-CQSZACIVSA-N -1 0 316.382 2.375 50 0 DEAARM CS(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000000233965 401691859 /nfs/dbraw/zinc/69/18/59/401691859.db2.gz JFUWLPUHRWSDBJ-UHFFFAOYSA-N -1 0 305.355 2.351 50 0 DEAARM Cc1nn(C)c([N-]S(=O)(=O)c2cccc3cccnc32)c1C ZINC000071913819 401696720 /nfs/dbraw/zinc/69/67/20/401696720.db2.gz XMCJPELOSHAXGC-UHFFFAOYSA-N -1 0 316.386 2.386 50 0 DEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000000469009 401699006 /nfs/dbraw/zinc/69/90/06/401699006.db2.gz OQURZPLYTYNDCR-UHFFFAOYSA-N -1 0 321.354 2.267 50 0 DEAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000473745 401699336 /nfs/dbraw/zinc/69/93/36/401699336.db2.gz RBYLPSAYGSXZIO-MNOVXSKESA-N -1 0 303.314 2.079 50 0 DEAARM COc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000000615899 401702420 /nfs/dbraw/zinc/70/24/20/401702420.db2.gz GVOQVIUIGUCBME-OLZOCXBDSA-N -1 0 321.373 2.211 50 0 DEAARM Cc1ccnc(SCC(=O)Nc2cccc(C(=O)[O-])c2)n1 ZINC000000924333 401703337 /nfs/dbraw/zinc/70/33/37/401703337.db2.gz GCXXYWAVPZKUKZ-UHFFFAOYSA-N -1 0 303.343 2.214 50 0 DEAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)nc1 ZINC000001321766 401705179 /nfs/dbraw/zinc/70/51/79/401705179.db2.gz WCVUCXAHMKQKRC-UHFFFAOYSA-N -1 0 321.336 2.219 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000001472292 401707652 /nfs/dbraw/zinc/70/76/52/401707652.db2.gz DHYQCHGTXGSQDV-ZETCQYMHSA-N -1 0 309.796 2.029 50 0 DEAARM CC(CCC(=O)[O-])(c1ccc(O)c(N)c1)c1ccc(O)c(N)c1 ZINC000001574348 401708405 /nfs/dbraw/zinc/70/84/05/401708405.db2.gz BUDOGSSTKVVWDR-UHFFFAOYSA-N -1 0 316.357 2.433 50 0 DEAARM Cn1c(SCc2n[n-]c(=S)o2)nnc1-c1ccccc1 ZINC000002523153 401714708 /nfs/dbraw/zinc/71/47/08/401714708.db2.gz PDSOSMOMBUMYNQ-UHFFFAOYSA-N -1 0 305.388 2.446 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)Oc1ccccc1 ZINC000002522622 401714714 /nfs/dbraw/zinc/71/47/14/401714714.db2.gz UUGORLVQLJSWBX-LBPRGKRZSA-N -1 0 323.345 2.350 50 0 DEAARM O=C([O-])CC1=C(c2cccs2)Nn2c(nnc2C2CC2)S1 ZINC000013181895 401797514 /nfs/dbraw/zinc/79/75/14/401797514.db2.gz CYPWZBMNLBPEJQ-VIFPVBQESA-N -1 0 320.399 2.418 50 0 DEAARM CCNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000013254278 401798156 /nfs/dbraw/zinc/79/81/56/401798156.db2.gz HNXWUDVVIHTKKH-KBPBESRZSA-N -1 0 316.357 2.042 50 0 DEAARM CCOc1ccccc1NC(=O)CSc1nnc(C)c(=O)[n-]1 ZINC000013452905 401799844 /nfs/dbraw/zinc/79/98/44/401799844.db2.gz WIZXMHPGFWSPSE-UHFFFAOYSA-N -1 0 320.374 2.015 50 0 DEAARM O=C([O-])COc1ccc(Cl)cc1C=C1SC(=O)NC1=O ZINC000013914518 401805184 /nfs/dbraw/zinc/80/51/84/401805184.db2.gz SUPVGRNKPWZRPO-WTKPLQERSA-N -1 0 313.718 2.127 50 0 DEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NC1CCCCC1 ZINC000008475731 401753056 /nfs/dbraw/zinc/75/30/56/401753056.db2.gz QWPHPZQLWAVHHC-UHFFFAOYSA-N -1 0 313.375 2.004 50 0 DEAARM CCC1C(=O)N=C(SCC(=O)Nc2ccc(C)cc2)N=C1[O-] ZINC000008576549 401753745 /nfs/dbraw/zinc/75/37/45/401753745.db2.gz DHNCPQQTFLNQCM-UHFFFAOYSA-N -1 0 319.386 2.077 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@H]1C(=O)[O-] ZINC000008698784 401755037 /nfs/dbraw/zinc/75/50/37/401755037.db2.gz ZGEORLKSWXAMBW-AWEZNQCLSA-N -1 0 320.389 2.193 50 0 DEAARM CCc1nnc(NC(=O)Cc2c(C(=O)[O-])c(C)cn2CC)s1 ZINC000075403197 401759360 /nfs/dbraw/zinc/75/93/60/401759360.db2.gz WWZUEHFCJQPEOH-UHFFFAOYSA-N -1 0 322.390 2.110 50 0 DEAARM CC(=O)N[C@H](CSc1cc(C)nc2ccc(F)cc21)C(=O)[O-] ZINC000009423681 401762187 /nfs/dbraw/zinc/76/21/87/401762187.db2.gz AQDKYUGEQMGSDG-CYBMUJFWSA-N -1 0 322.361 2.364 50 0 DEAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1O ZINC000012544762 401787415 /nfs/dbraw/zinc/78/74/15/401787415.db2.gz HHMQWKFPPKVQSJ-UHFFFAOYSA-N -1 0 324.333 2.291 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2cc(F)cc(F)c2)c1 ZINC000012864748 401792838 /nfs/dbraw/zinc/79/28/38/401792838.db2.gz INOTUIJCDAUKMJ-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM O=C(c1cnc2cc3[nH]c(=O)[nH]c3cc2c1)c1ccccc1[O-] ZINC000012900845 401793374 /nfs/dbraw/zinc/79/33/74/401793374.db2.gz RQZKSRTVKOMSSB-UHFFFAOYSA-N -1 0 305.293 2.341 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1 ZINC000021520106 401825692 /nfs/dbraw/zinc/82/56/92/401825692.db2.gz IPEHLSZMNJWMTP-UHFFFAOYSA-N -1 0 323.395 2.193 50 0 DEAARM CC[C@@](C)(NC(=O)c1csc(Br)c1)C(=O)[O-] ZINC000086796656 401924857 /nfs/dbraw/zinc/92/48/57/401924857.db2.gz MOCMDSWZFOIDJY-SNVBAGLBSA-N -1 0 306.181 2.494 50 0 DEAARM C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccsc1C(=O)[O-] ZINC000037370959 401912286 /nfs/dbraw/zinc/91/22/86/401912286.db2.gz GFTJFVJVDXRQCG-DTORHVGOSA-N -1 0 303.405 2.398 50 0 DEAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000136493664 401968337 /nfs/dbraw/zinc/96/83/37/401968337.db2.gz IVFDWKUYKMDZGN-RRFJBIMHSA-N -1 0 303.358 2.264 50 0 DEAARM CC[C@@](C)(NC(=O)Cn1c2ccccc2nc1C1CC1)C(=O)[O-] ZINC000089941979 401976554 /nfs/dbraw/zinc/97/65/54/401976554.db2.gz WGTWAMLSMQSVHB-QGZVFWFLSA-N -1 0 315.373 2.283 50 0 DEAARM C[C@@H](NC(=O)c1nc(-c2ccccc2)oc1C1CC1)C(=O)[O-] ZINC000089496997 401950344 /nfs/dbraw/zinc/95/03/44/401950344.db2.gz IVYVBINVGPHGBP-SECBINFHSA-N -1 0 300.314 2.422 50 0 DEAARM Cc1noc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095370904 402029238 /nfs/dbraw/zinc/02/92/38/402029238.db2.gz GFGUAOZRCBJNRF-CQSZACIVSA-N -1 0 301.346 2.456 50 0 DEAARM Cc1cc(C)n(CCCN(C)[C@@H](C(=O)[O-])c2c(C)noc2C)n1 ZINC000095386631 402031022 /nfs/dbraw/zinc/03/10/22/402031022.db2.gz CTCXKIVLLUIUMI-OAHLLOKOSA-N -1 0 320.393 2.253 50 0 DEAARM O=C([O-])c1ccc([C@@H]2CCCN(S(=O)(=O)C3CC3)C2)cc1 ZINC000095385125 402031052 /nfs/dbraw/zinc/03/10/52/402031052.db2.gz SMTJKMLHCPLRJM-CYBMUJFWSA-N -1 0 309.387 2.056 50 0 DEAARM Cc1nc(CN2CCC[C@@H](c3cccc(C(=O)[O-])c3)C2)n(C)n1 ZINC000095382828 402031253 /nfs/dbraw/zinc/03/12/53/402031253.db2.gz JMITZRXGXQMDLK-OAHLLOKOSA-N -1 0 314.389 2.201 50 0 DEAARM O=S(=O)([N-]c1cnccn1)c1cccc(C(F)(F)F)c1 ZINC000095945392 402035908 /nfs/dbraw/zinc/03/59/08/402035908.db2.gz PSSFPGJICIGCND-UHFFFAOYSA-N -1 0 303.265 2.296 50 0 DEAARM COc1ccc(CNC(=O)c2cc(C3CC3)on2)cc1C(=O)[O-] ZINC000095949255 402036267 /nfs/dbraw/zinc/03/62/67/402036267.db2.gz SSVBHRFJWCVWSD-UHFFFAOYSA-N -1 0 316.313 2.189 50 0 DEAARM CC(C)(C(=O)[N-]S(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000051896835 402037028 /nfs/dbraw/zinc/03/70/28/402037028.db2.gz NSCASMPUAPWYLW-UHFFFAOYSA-N -1 0 310.202 2.347 50 0 DEAARM Cc1c(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])cnn1C ZINC000095969786 402038554 /nfs/dbraw/zinc/03/85/54/402038554.db2.gz FKTVIFWOAZNZRI-LBPRGKRZSA-N -1 0 315.373 2.092 50 0 DEAARM Cc1ccc(C[C@@H](CNC(=O)CC[C@@H]2CCCO2)C(=O)[O-])cc1 ZINC000095970684 402038996 /nfs/dbraw/zinc/03/89/96/402038996.db2.gz ISVVVNYXJWPBJE-HOTGVXAUSA-N -1 0 319.401 2.314 50 0 DEAARM O=C([N-]S(=O)(=O)[C@@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000095976229 402040363 /nfs/dbraw/zinc/04/03/63/402040363.db2.gz GJWHGTMNXPKXCF-LLVKDONJSA-N -1 0 307.362 2.367 50 0 DEAARM C[C@](NC(=O)c1ccc(-c2cnco2)cc1)(C(=O)[O-])C1CC1 ZINC000095989624 402043320 /nfs/dbraw/zinc/04/33/20/402043320.db2.gz YXIPJKDURYVVKY-MRXNPFEDSA-N -1 0 300.314 2.325 50 0 DEAARM O=C(Nc1cnn(CC(F)F)c1)c1c([O-])cc(F)cc1F ZINC000096421724 402082697 /nfs/dbraw/zinc/08/26/97/402082697.db2.gz REFNUYUFYSZBAO-UHFFFAOYSA-N -1 0 303.215 2.384 50 0 DEAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000097035980 402100744 /nfs/dbraw/zinc/10/07/44/402100744.db2.gz QTZQHVRBNACPAL-SECBINFHSA-N -1 0 321.764 2.285 50 0 DEAARM Cc1ccc(CC(=O)N[C@@H](C(=O)[O-])c2ccc(F)c(F)c2)cn1 ZINC000097036653 402101684 /nfs/dbraw/zinc/10/16/84/402101684.db2.gz SJQLSHJWNDVVNY-OAHLLOKOSA-N -1 0 320.295 2.153 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2cc(F)ccc2Cl)no1 ZINC000097047033 402102360 /nfs/dbraw/zinc/10/23/60/402102360.db2.gz MXHZCIXOWXAWAI-UHFFFAOYSA-N -1 0 305.718 2.225 50 0 DEAARM Cn1ncnc1NC(=O)Nc1cc(Cl)c([O-])c(Cl)c1 ZINC000097103414 402107654 /nfs/dbraw/zinc/10/76/54/402107654.db2.gz SKVOHBIZUURRNC-UHFFFAOYSA-N -1 0 302.121 2.472 50 0 DEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)n1 ZINC000097114366 402109373 /nfs/dbraw/zinc/10/93/73/402109373.db2.gz VEJUESSSUGDUAL-UHFFFAOYSA-N -1 0 317.292 2.312 50 0 DEAARM COc1cc(OC)c(CN(C)Cc2cc(C)n[nH]2)c(C(=O)[O-])c1 ZINC000097660396 402129532 /nfs/dbraw/zinc/12/95/32/402129532.db2.gz ZORMOLGNCINMAT-UHFFFAOYSA-N -1 0 319.361 2.066 50 0 DEAARM O=C(c1cnn(-c2ccccc2)c1Cl)c1n[n-]c(=S)o1 ZINC000098086736 402136516 /nfs/dbraw/zinc/13/65/16/402136516.db2.gz GAKSVCRENVUEDK-UHFFFAOYSA-N -1 0 306.734 2.428 50 0 DEAARM COc1cccc(NC(=O)Cc2c(C(=O)[O-])c(C)cn2C)c1 ZINC000064980525 402122565 /nfs/dbraw/zinc/12/25/65/402122565.db2.gz TWFWEEZFZPAOEE-UHFFFAOYSA-N -1 0 302.330 2.222 50 0 DEAARM CC(C)CCOC(=O)Cc1c([O-])c2ccccc2n(C)c1=O ZINC000100749916 402142605 /nfs/dbraw/zinc/14/26/05/402142605.db2.gz WVPZWEYRCLHZRS-UHFFFAOYSA-N -1 0 303.358 2.376 50 0 biogenic DEAARM Cc1cc(-c2c(C)[n-]n(-c3ccccc3)c2=O)n(C(N)=S)n1 ZINC000100911732 402142923 /nfs/dbraw/zinc/14/29/23/402142923.db2.gz RFKWQUKDRFBLKO-UHFFFAOYSA-N -1 0 313.386 2.150 50 0 DEAARM CC[C@@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(C)C ZINC000101789074 402155518 /nfs/dbraw/zinc/15/55/18/402155518.db2.gz SQQAPHFWGNDZPE-GFCCVEGCSA-N -1 0 319.430 2.387 50 0 DEAARM CCC(C)(C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102171289 402164048 /nfs/dbraw/zinc/16/40/48/402164048.db2.gz RSBYKOCDKJEFTJ-UHFFFAOYSA-N -1 0 305.403 2.141 50 0 DEAARM CCO[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095442227 286186623 /nfs/dbraw/zinc/18/66/23/286186623.db2.gz CCYHXCLOUMAEGT-ZANVPECISA-N -1 0 314.744 2.066 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCc2cccnc2)[C@@H]1c1cccs1 ZINC000069843366 402246731 /nfs/dbraw/zinc/24/67/31/402246731.db2.gz OOVOQSCXSIBQAS-WFASDCNBSA-N -1 0 316.382 2.360 50 0 DEAARM O=C([O-])[C@H]1CCC(=O)N(CCc2cccnc2)[C@H]1c1ccco1 ZINC000071857697 402288983 /nfs/dbraw/zinc/28/89/83/402288983.db2.gz LIHHRTBNNKQDKQ-XJKSGUPXSA-N -1 0 314.341 2.282 50 0 DEAARM CS(=O)(=O)N(Cc1ccc(C(=O)[O-])cc1)c1ccccc1F ZINC000226088063 402326104 /nfs/dbraw/zinc/32/61/04/402326104.db2.gz CKGZPIRROHCIIS-UHFFFAOYSA-N -1 0 323.345 2.490 50 0 DEAARM CCC[C@@H](CC(=O)[O-])NC(=O)COc1ccccc1OCC ZINC000225522046 402320258 /nfs/dbraw/zinc/32/02/58/402320258.db2.gz PJZRHSBPQCRMJX-LBPRGKRZSA-N -1 0 309.362 2.224 50 0 DEAARM Cc1ccc(C(=O)[O-])cc1NC(=O)CCC(=O)NC1CCCC1 ZINC000160361337 402342880 /nfs/dbraw/zinc/34/28/80/402342880.db2.gz JAFHNAUYXUIZFV-UHFFFAOYSA-N -1 0 318.373 2.471 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000238030914 402433632 /nfs/dbraw/zinc/43/36/32/402433632.db2.gz WDKAQFKCCKMWDE-LBPRGKRZSA-N -1 0 321.377 2.126 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCO1 ZINC000238058666 402435253 /nfs/dbraw/zinc/43/52/53/402435253.db2.gz XGSXLEPWYONTAH-LBPRGKRZSA-N -1 0 323.414 2.333 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000238103334 402438085 /nfs/dbraw/zinc/43/80/85/402438085.db2.gz DYWLUBISNVPCAZ-JTQLQIEISA-N -1 0 319.748 2.072 50 0 DEAARM Cc1ncc(/C=C/C(=O)NCc2cccc(C(=O)[O-])c2)s1 ZINC000170672211 402512779 /nfs/dbraw/zinc/51/27/79/402512779.db2.gz ZMGUKLDUUCXGNE-AATRIKPKSA-N -1 0 302.355 2.479 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000261655425 402715515 /nfs/dbraw/zinc/71/55/15/402715515.db2.gz FRVYPCDTPFWRKZ-UHFFFAOYSA-N -1 0 313.357 2.450 50 0 DEAARM Cc1cc(C)cc([C@@H](NC(=O)[C@H](C)n2cccn2)C(=O)[O-])c1 ZINC000262984065 402739768 /nfs/dbraw/zinc/73/97/68/402739768.db2.gz JRSFINNTUIOGNV-GXTWGEPZSA-N -1 0 301.346 2.003 50 0 DEAARM Cc1ccc(CC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC000263147159 402745387 /nfs/dbraw/zinc/74/53/87/402745387.db2.gz XCRBVSNGNJNXJA-LBPRGKRZSA-N -1 0 321.320 2.465 50 0 DEAARM O=C([O-])c1cnn(C2CCN(C(=O)Cc3cccs3)CC2)c1 ZINC000263224344 402748136 /nfs/dbraw/zinc/74/81/36/402748136.db2.gz RFZWPWWEBMELFG-UHFFFAOYSA-N -1 0 319.386 2.049 50 0 DEAARM CC(C)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)no1 ZINC000263519028 402777332 /nfs/dbraw/zinc/77/73/32/402777332.db2.gz GHAPXIFURUTLKJ-UHFFFAOYSA-N -1 0 306.322 2.067 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000269184719 403124557 /nfs/dbraw/zinc/12/45/57/403124557.db2.gz MDKOJFJKAZDPCV-RBSFLKMASA-N -1 0 303.358 2.087 50 0 DEAARM O=C([O-])c1ccc(-n2cc(NC(=O)c3cccnc3)cn2)cc1 ZINC000299766955 403568894 /nfs/dbraw/zinc/56/88/94/403568894.db2.gz FIDVGACYZFATLB-UHFFFAOYSA-N -1 0 308.297 2.218 50 0 DEAARM Cc1cc2ccccc2n1CCN(C)C(=O)N[C@@H](C)C(=O)[O-] ZINC000426485726 405363039 /nfs/dbraw/zinc/36/30/39/405363039.db2.gz QWBTUTTYVPZLHF-LBPRGKRZSA-N -1 0 303.362 2.064 50 0 DEAARM CC(C)[S@](=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000136477534 196538242 /nfs/dbraw/zinc/53/82/42/196538242.db2.gz ZPMHYZKKBKPLBH-JLCFBVMHSA-N -1 0 323.414 2.282 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)[C@H](C)C(=O)[O-])cc1 ZINC000299749101 229390771 /nfs/dbraw/zinc/39/07/71/229390771.db2.gz JFZBMLWGXSNOSY-YUELXQCFSA-N -1 0 305.374 2.394 50 0 DEAARM O=c1c2c(nc3[n-]c(CNc4cccc(Cl)c4)nn31)CCC2 ZINC000101803462 424847389 /nfs/dbraw/zinc/84/73/89/424847389.db2.gz CKSYZNABGGWBKU-UHFFFAOYSA-N -1 0 315.764 2.172 50 0 DEAARM CCc1sc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])cc1C ZINC000655601176 425609754 /nfs/dbraw/zinc/60/97/54/425609754.db2.gz GTPQIILOQYOMGP-LBPRGKRZSA-N -1 0 318.398 2.440 50 0 DEAARM CC(C)C[C@@H](NC(=O)c1c(Cl)n(C)nc1C(C)C)C(=O)[O-] ZINC000195542637 279000681 /nfs/dbraw/zinc/00/06/81/279000681.db2.gz XSFBBHDJHQVZML-SECBINFHSA-N -1 0 315.801 2.426 50 0 DEAARM CC(C)C[C@H]1C[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000262207815 279228579 /nfs/dbraw/zinc/22/85/79/279228579.db2.gz SXTBSZMIVPZUGO-OLZOCXBDSA-N -1 0 306.362 2.103 50 0 DEAARM CC1(C)CN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000263527244 281166382 /nfs/dbraw/zinc/16/63/82/281166382.db2.gz KMFXJMWGEYZBGW-UHFFFAOYSA-N -1 0 305.374 2.343 50 0 DEAARM COc1cc2ccccc2cc1C([O-])=C1CCCN(C=O)C1=O ZINC000006658271 295044037 /nfs/dbraw/zinc/04/40/37/295044037.db2.gz JLBFJNSXFUBNTG-CQSZACIVSA-N -1 0 311.337 2.426 50 0 DEAARM Cc1cc(C)c(C(=O)N(CC(=O)[O-])C2CCCCCC2)c(=O)[nH]1 ZINC000095375859 301162659 /nfs/dbraw/zinc/16/26/59/301162659.db2.gz TZPPUJFJOYWEGK-UHFFFAOYSA-N -1 0 320.389 2.241 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CCO1 ZINC000299752465 534525099 /nfs/dbraw/zinc/52/50/99/534525099.db2.gz UEWUEHDDUGBMMS-LBPRGKRZSA-N -1 0 323.414 2.262 50 0 DEAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000299749964 534539614 /nfs/dbraw/zinc/53/96/14/534539614.db2.gz MGNGAJJEMACZSH-GFCCVEGCSA-N -1 0 319.288 2.011 50 0 DEAARM Cc1oc(CNC(=O)[C@@H]2COc3ccccc3C2)cc1C(=O)[O-] ZINC000299742199 534544837 /nfs/dbraw/zinc/54/48/37/534544837.db2.gz IPOLHZRLRPJXSX-LBPRGKRZSA-N -1 0 315.325 2.154 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CCCCCc2cccs2)CCO1 ZINC000237961274 526284859 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/nfs/dbraw/zinc/14/24/87/304142487.db2.gz VWTWBZLTAOOWLY-BPNCWPANSA-N -1 0 313.357 2.421 50 0 DEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCCCO1 ZINC000262050775 203183777 /nfs/dbraw/zinc/18/37/77/203183777.db2.gz CUQUPLVVZUWUDL-XJKSGUPXSA-N -1 0 303.358 2.156 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000262107251 203201664 /nfs/dbraw/zinc/20/16/64/203201664.db2.gz JVMFNLUXIYMCDA-ZDUSSCGKSA-N -1 0 319.748 2.419 50 0 DEAARM CCN(CCC(=O)[O-])C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000262399132 203283645 /nfs/dbraw/zinc/28/36/45/203283645.db2.gz LZTRSPLGWVDIIP-OAHLLOKOSA-N -1 0 321.373 2.181 50 0 DEAARM Cc1cc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1OC1CCOCC1 ZINC000262468975 203302424 /nfs/dbraw/zinc/30/24/24/203302424.db2.gz ZMZOQBHOXGQKBR-ZIAGYGMSSA-N -1 0 319.357 2.212 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000268952409 304152655 /nfs/dbraw/zinc/15/26/55/304152655.db2.gz ROBFSYQVQWMJME-RDJZCZTQSA-N -1 0 323.348 2.028 50 0 DEAARM CC(C)Cn1cc(C(=O)N(CC(=O)[O-])c2ccccc2)cn1 ZINC000263462809 203469493 /nfs/dbraw/zinc/46/94/93/203469493.db2.gz WCAYRBXHRHLDBS-UHFFFAOYSA-N -1 0 301.346 2.271 50 0 DEAARM Cc1csc(CN(C)[C@H](C(=O)[O-])c2ccc(F)c(CO)c2)n1 ZINC000095376822 193437993 /nfs/dbraw/zinc/43/79/93/193437993.db2.gz FGOUSLHOKWWMGJ-AWEZNQCLSA-N -1 0 324.377 2.341 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000095970012 193466934 /nfs/dbraw/zinc/46/69/34/193466934.db2.gz LDOFAXRQVPZSAA-HNNXBMFYSA-N -1 0 321.373 2.181 50 0 DEAARM Cc1cc(Cl)ccc1OCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000013170394 181836295 /nfs/dbraw/zinc/83/62/95/181836295.db2.gz VZSSSLAGYJOVCF-NSHDSACASA-N -1 0 311.765 2.350 50 0 DEAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1cccc2nonc21 ZINC000013947739 181914642 /nfs/dbraw/zinc/91/46/42/181914642.db2.gz VGGZPAGEBWVXIE-UHFFFAOYSA-N -1 0 310.722 2.072 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(Br)cc2F)C1 ZINC000019402359 182121288 /nfs/dbraw/zinc/12/12/88/182121288.db2.gz XOCQMDMNCXKMOT-LURJTMIESA-N -1 0 302.099 2.026 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)C[C@H]1OCCc2ccccc21 ZINC000136475178 304177222 /nfs/dbraw/zinc/17/72/22/304177222.db2.gz NGDQPUJUHSPSEA-HUUCEWRRSA-N -1 0 303.358 2.156 50 0 DEAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000020723071 182243569 /nfs/dbraw/zinc/24/35/69/182243569.db2.gz LARBWXKOICWGSS-QMMMGPOBSA-N -1 0 308.334 2.461 50 0 DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cc(C)ccc2C)n[nH]1 ZINC000021096304 182265076 /nfs/dbraw/zinc/26/50/76/182265076.db2.gz LRMNOWIPBKNHOS-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM CSCC[C@H](NC(=O)Cn1c(C)cc2ccccc21)C(=O)[O-] ZINC000040310366 183053691 /nfs/dbraw/zinc/05/36/91/183053691.db2.gz AXIYKIOGPIHRHW-ZDUSSCGKSA-N -1 0 320.414 2.272 50 0 biogenic DEAARM O=C([O-])CCN(C(=O)/C=C\c1ccc(F)cc1)C1CCOCC1 ZINC000493529531 249316084 /nfs/dbraw/zinc/31/60/84/249316084.db2.gz QZRZPOGARTYITD-UTCJRWHESA-N -1 0 321.348 2.321 50 0 DEAARM CC(=O)Nc1ccc(F)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000044830405 183440636 /nfs/dbraw/zinc/44/06/36/183440636.db2.gz VKTPYLNMWGTWPK-NWDGAFQWSA-N -1 0 320.320 2.390 50 0 DEAARM O=C([O-])c1ccc(/C=C/C(=O)N2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000268912528 207078753 /nfs/dbraw/zinc/07/87/53/207078753.db2.gz OGKAJSOWXKSFSR-VOTDVEDPSA-N -1 0 301.342 2.178 50 0 DEAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000268916473 207082574 /nfs/dbraw/zinc/08/25/74/207082574.db2.gz QHFLNVOFQXEGHF-BDAKNGLRSA-N -1 0 305.227 2.181 50 0 DEAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000268945615 207108798 /nfs/dbraw/zinc/10/87/98/207108798.db2.gz MKWXDTIMLLFXPA-ZMLRMANQSA-N -1 0 300.314 2.240 50 0 DEAARM C/C(=C\C(=O)N1CCOC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000268968967 207133258 /nfs/dbraw/zinc/13/32/58/207133258.db2.gz FYFYPEVHZZGUBL-FROQITRMSA-N -1 0 309.749 2.055 50 0 DEAARM Cc1cc(C)cc([N-]S(=O)(=O)c2cccn3cnnc23)c1 ZINC000062592015 184244131 /nfs/dbraw/zinc/24/41/31/184244131.db2.gz VMRUHQCIHNLCHD-UHFFFAOYSA-N -1 0 302.359 2.147 50 0 DEAARM CCc1nnc2c(S(=O)(=O)[N-]c3ccc(F)cc3)cccn12 ZINC000062592007 184244143 /nfs/dbraw/zinc/24/41/43/184244143.db2.gz RLNBEFSZRAJGBO-UHFFFAOYSA-N -1 0 320.349 2.232 50 0 DEAARM Cc1oc(-c2cccs2)nc1CC(=O)NC(C)(C)C(=O)[O-] ZINC000065422280 184341973 /nfs/dbraw/zinc/34/19/73/184341973.db2.gz MLVZEIKFQUGVNY-UHFFFAOYSA-N -1 0 308.359 2.233 50 0 DEAARM CCCc1nc(C)cc(N2CCCn3nc(C(=O)[O-])cc3C2)n1 ZINC000065404798 184338222 /nfs/dbraw/zinc/33/82/22/184338222.db2.gz ZPLVMTQPDUAKEJ-UHFFFAOYSA-N -1 0 315.377 2.043 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCOC3(C2)CCCCCC3)cn1 ZINC000177803796 304234333 /nfs/dbraw/zinc/23/43/33/304234333.db2.gz PFQOYDLBRALBMQ-UHFFFAOYSA-N -1 0 318.373 2.345 50 0 DEAARM CCCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OCC ZINC000269209571 207327316 /nfs/dbraw/zinc/32/73/16/207327316.db2.gz VPAFRMFCTPZENZ-ZDUSSCGKSA-N -1 0 321.373 2.421 50 0 DEAARM C[C@H](NC(=O)CN1CCCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000158490333 197277907 /nfs/dbraw/zinc/27/79/07/197277907.db2.gz YUMCTYHIWJAICU-SMDDNHRTSA-N -1 0 324.808 2.456 50 0 DEAARM CCc1c(C(=O)N2CCCC[C@H]2C(=O)[O-])[nH]c(C)c1C(C)=O ZINC000158484449 197277450 /nfs/dbraw/zinc/27/74/50/197277450.db2.gz DFHPRDDNJPZJLK-LBPRGKRZSA-N -1 0 306.362 2.167 50 0 DEAARM C[C@H](Oc1cccnc1)C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000248565212 299574381 /nfs/dbraw/zinc/57/43/81/299574381.db2.gz PIOBWWGOONIXLA-MXYBEHONSA-N -1 0 318.373 2.093 50 0 DEAARM O=C([O-])c1ccccc1N1C(=O)[C@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000100591264 304269701 /nfs/dbraw/zinc/26/97/01/304269701.db2.gz KWSVYBROBOEDLZ-ONGXEEELSA-N -1 0 305.717 2.407 50 0 DEAARM CCOC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000071405192 257253740 /nfs/dbraw/zinc/25/37/40/257253740.db2.gz XAZIOURHZYSVNS-NWDGAFQWSA-N -1 0 305.330 2.303 50 0 DEAARM O=C([O-])[C@@H]1CCC(=O)N(CCc2cccnc2)[C@@H]1c1ccco1 ZINC000071857694 184870955 /nfs/dbraw/zinc/87/09/55/184870955.db2.gz LIHHRTBNNKQDKQ-CJNGLKHVSA-N -1 0 314.341 2.282 50 0 DEAARM COc1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c(OC)c1 ZINC000299740807 533299488 /nfs/dbraw/zinc/29/94/88/533299488.db2.gz BVVJFPSQFCGOKU-GFCCVEGCSA-N -1 0 321.373 2.421 50 0 DEAARM C[C@]1(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CC1(F)F ZINC000263282144 132580533 /nfs/dbraw/zinc/58/05/33/132580533.db2.gz XLDMGWQVQVLCHA-SLEUVZQESA-N -1 0 309.312 2.359 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)C2(Cc3ccccc3F)CC2)C1 ZINC000263034606 145319583 /nfs/dbraw/zinc/31/95/83/145319583.db2.gz CZIOHWUJEFFMKE-ZDUSSCGKSA-N -1 0 305.349 2.472 50 0 DEAARM CC[C@@](CNC(=O)c1cc(C)on1)(C(=O)[O-])c1ccccc1 ZINC000263114360 145326738 /nfs/dbraw/zinc/32/67/38/145326738.db2.gz XMAXYQSUGXVSEC-INIZCTEOSA-N -1 0 302.330 2.145 50 0 DEAARM Cc1c(Cl)c(C(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)nn1C ZINC000263197870 145335625 /nfs/dbraw/zinc/33/56/25/145335625.db2.gz MBGBJDOGYRGKSK-SNVBAGLBSA-N -1 0 319.748 2.211 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]c2nc(C(C)C)nn2C)ccc1F ZINC000073840526 401722946 /nfs/dbraw/zinc/72/29/46/401722946.db2.gz LHGIWGPRMWFACE-UHFFFAOYSA-N -1 0 312.370 2.187 50 0 DEAARM O=C([O-])[C@H](CCc1nc2ccccc2[nH]1)NC(=O)c1ccccc1 ZINC000000189065 401689653 /nfs/dbraw/zinc/68/96/53/401689653.db2.gz XBZZZJHUNILSRI-HNNXBMFYSA-N -1 0 323.352 2.379 50 0 DEAARM COc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000238286 401692005 /nfs/dbraw/zinc/69/20/05/401692005.db2.gz MSMKGVOKGQWPCH-UHFFFAOYSA-N -1 0 307.327 2.194 50 0 DEAARM COC(=O)c1ccnc([N-]S(=O)(=O)c2ccc(C)c(C)c2)c1 ZINC000071913796 401696942 /nfs/dbraw/zinc/69/69/42/401696942.db2.gz OVMQCOAMXXHHNV-UHFFFAOYSA-N -1 0 320.370 2.286 50 0 DEAARM O=C1[C@H](Cc2ccc(O)cc2)N=C2c3ccccc3[N-]C(=S)N12 ZINC000000425512 401697640 /nfs/dbraw/zinc/69/76/40/401697640.db2.gz RBNIURRLCATHCJ-AWEZNQCLSA-N -1 0 323.377 2.303 50 0 DEAARM Cn1cc(Cl)cc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000111240027 401702756 /nfs/dbraw/zinc/70/27/56/401702756.db2.gz WQAZJCAXBDMKDV-LLVKDONJSA-N -1 0 324.686 2.158 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2cccc3c[nH]nc32)cc1 ZINC000001427079 401707331 /nfs/dbraw/zinc/70/73/31/401707331.db2.gz ITHKEPURULZLEQ-UHFFFAOYSA-N -1 0 303.343 2.372 50 0 DEAARM O=c1c(O)c(-c2ccccc2S(=O)(=O)[O-])oc2ccccc12 ZINC000002527924 401714901 /nfs/dbraw/zinc/71/49/01/401714901.db2.gz HVXHCULLHCFDAI-UHFFFAOYSA-N -1 0 318.306 2.412 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000013170220 401797753 /nfs/dbraw/zinc/79/77/53/401797753.db2.gz JWNHADQNUJIVHW-JTQLQIEISA-N -1 0 312.163 2.386 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@H]1C=CCC1 ZINC000014372055 401811536 /nfs/dbraw/zinc/81/15/36/401811536.db2.gz QWBHBSSYVPDSHZ-JTQLQIEISA-N -1 0 303.387 2.299 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Nc1cc(OC)cc(OC)c1)C(=O)[O-] ZINC000013776719 401804633 /nfs/dbraw/zinc/80/46/33/401804633.db2.gz KYTSFMHGUZQSFG-ZANVPECISA-N -1 0 310.350 2.325 50 0 DEAARM CCCc1cc(=O)n2nc(NC(=O)c3cccs3)[n-]c2n1 ZINC000009203025 401760483 /nfs/dbraw/zinc/76/04/83/401760483.db2.gz ITVSHYKGXRXZPK-UHFFFAOYSA-N -1 0 303.347 2.096 50 0 DEAARM O=C([O-])c1cccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 ZINC000011689965 401775418 /nfs/dbraw/zinc/77/54/18/401775418.db2.gz AZLNVQQEXFVXAA-AWEZNQCLSA-N -1 0 311.293 2.105 50 0 biogenic DEAARM C[C@@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)[O-] ZINC000011865963 401777403 /nfs/dbraw/zinc/77/74/03/401777403.db2.gz NFGKCJLLNFNGHY-SECBINFHSA-N -1 0 315.354 2.290 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)NCc2ccccc2F)c1 ZINC000012770617 401791773 /nfs/dbraw/zinc/79/17/73/401791773.db2.gz BHWPPOBATWAKJB-UHFFFAOYSA-N -1 0 309.318 2.002 50 0 DEAARM O=c1c2cc3c(cc2[n-]c(=S)n1Cc1ccncc1)OCO3 ZINC000040478800 401925125 /nfs/dbraw/zinc/92/51/25/401925125.db2.gz ZKIKUMMZIFVJCY-UHFFFAOYSA-N -1 0 313.338 2.231 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)NC(=O)CO3)s1 ZINC000032532611 401879896 /nfs/dbraw/zinc/87/98/96/401879896.db2.gz BCESEPUROJJQPG-UHFFFAOYSA-N -1 0 324.383 2.188 50 0 DEAARM CCn1c(=O)oc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000033048734 401888156 /nfs/dbraw/zinc/88/81/56/401888156.db2.gz HGIBMWOBOHZMAL-UHFFFAOYSA-N -1 0 324.383 2.477 50 0 DEAARM COc1ccc(Cl)cc1/C=C/C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033454405 401891220 /nfs/dbraw/zinc/89/12/20/401891220.db2.gz HJANMUNUPZDMSM-RPTYSRGTSA-N -1 0 309.749 2.437 50 0 DEAARM O=C([O-])C1(NC(=O)CCOCC(F)(F)F)CCCCCC1 ZINC000037457138 401913967 /nfs/dbraw/zinc/91/39/67/401913967.db2.gz BMDNWVFUCJDLFY-UHFFFAOYSA-N -1 0 311.300 2.249 50 0 DEAARM CC(C)Oc1cccc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000136131107 401961338 /nfs/dbraw/zinc/96/13/38/401961338.db2.gz FOQHTVHTIUCJMQ-CQSZACIVSA-N -1 0 305.374 2.340 50 0 DEAARM Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)[O-])CC3)[nH]n2)cc1 ZINC000045948708 401963696 /nfs/dbraw/zinc/96/36/96/401963696.db2.gz WLTLUWMJFPXTLV-UHFFFAOYSA-N -1 0 313.357 2.322 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Cc1cn(C)c2ccccc12)C(=O)[O-] ZINC000049753805 402021179 /nfs/dbraw/zinc/02/11/79/402021179.db2.gz VQPXKTTYHPYENE-ZBEGNZNMSA-N -1 0 302.374 2.336 50 0 DEAARM Cc1ccc2c(c1)sc(C(=O)[N-]N1CC(=O)NC1=O)c2Cl ZINC000095351055 402026217 /nfs/dbraw/zinc/02/62/17/402026217.db2.gz QJLGJYNGPXAKLI-UHFFFAOYSA-N -1 0 323.761 2.060 50 0 DEAARM Cc1c(Br)cccc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000095967062 402038422 /nfs/dbraw/zinc/03/84/22/402038422.db2.gz HXSIMVDNPOUNRH-UHFFFAOYSA-N -1 0 312.163 2.495 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000095970548 402038912 /nfs/dbraw/zinc/03/89/12/402038912.db2.gz CSTOTMJHHPYEMH-HZPDHXFCSA-N -1 0 319.401 2.395 50 0 DEAARM Cc1conc1[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000096009592 402047003 /nfs/dbraw/zinc/04/70/03/402047003.db2.gz XAWWGXRQRHTDNG-UHFFFAOYSA-N -1 0 314.750 2.372 50 0 DEAARM CCCOC[C@@H]1CCN(C(=O)c2ccccc2NCC(=O)[O-])C1 ZINC000055308949 402079210 /nfs/dbraw/zinc/07/92/10/402079210.db2.gz GSCRZRVUVXNLPG-CYBMUJFWSA-N -1 0 320.389 2.072 50 0 DEAARM O=S(=O)([N-]c1nnc(-c2ccsc2)s1)c1cccnc1 ZINC000096471629 402092898 /nfs/dbraw/zinc/09/28/98/402092898.db2.gz HVRRWOYVBXNBSE-UHFFFAOYSA-N -1 0 324.412 2.462 50 0 DEAARM [O-]c1ccc(Cl)c(CN2CC(N3CCOCC3)C2)c1Cl ZINC000097288901 402121291 /nfs/dbraw/zinc/12/12/91/402121291.db2.gz BNFSPCKWQKEYPE-UHFFFAOYSA-N -1 0 317.216 2.215 50 0 DEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cc(F)c(C)cc2F)n1 ZINC000096502841 402097951 /nfs/dbraw/zinc/09/79/51/402097951.db2.gz GVIRTYOKSMXJHF-UHFFFAOYSA-N -1 0 313.329 2.481 50 0 DEAARM CCc1ccc(C(=O)N[C@@H](Cc2ccc(F)cc2)C(=O)[O-])o1 ZINC000097036389 402100715 /nfs/dbraw/zinc/10/07/15/402100715.db2.gz NPNGYTUYSLQLTK-ZDUSSCGKSA-N -1 0 305.305 2.407 50 0 DEAARM O=C([O-])[C@H](NC(=O)Cc1cccc(F)c1)c1ccccc1F ZINC000097036407 402101121 /nfs/dbraw/zinc/10/11/21/402101121.db2.gz ZHIFKPLJQMLUKN-OAHLLOKOSA-N -1 0 305.280 2.449 50 0 DEAARM Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CC[C@@H](C(=O)[O-])C1 ZINC000097039462 402101272 /nfs/dbraw/zinc/10/12/72/402101272.db2.gz HHUOOCRNZUXKPQ-CHWSQXEVSA-N -1 0 313.357 2.164 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N(Cc2ccc(O)cc2)C2CC2)C1 ZINC000097572299 402127367 /nfs/dbraw/zinc/12/73/67/402127367.db2.gz CPUBPRPLPZMWTG-QWHCGFSZSA-N -1 0 303.358 2.384 50 0 DEAARM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccnc1 ZINC000101775427 402155622 /nfs/dbraw/zinc/15/56/22/402155622.db2.gz UFMDJMAEDRNLRC-OAHLLOKOSA-N -1 0 308.341 2.055 50 0 DEAARM CCn1cc(C(=O)NCc2nc(C(=O)[O-])cs2)c(C(C)C)n1 ZINC000124144075 402165480 /nfs/dbraw/zinc/16/54/80/402165480.db2.gz FCCVDEFTVZTGMG-UHFFFAOYSA-N -1 0 322.390 2.111 50 0 DEAARM Cc1ccc([C@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2c(C)noc2C)o1 ZINC000069492353 402226966 /nfs/dbraw/zinc/22/69/66/402226966.db2.gz MICKXOZQHJKKGO-IAQYHMDHSA-N -1 0 318.329 2.367 50 0 DEAARM Cn1cc(S(=O)(=O)[N-]c2cccc(-n3cccc3)c2)cn1 ZINC000069530602 402229129 /nfs/dbraw/zinc/22/91/29/402229129.db2.gz PXDXBBXKIBAGBX-UHFFFAOYSA-N -1 0 302.359 2.012 50 0 DEAARM Cc1cc(C)n(-c2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2)n1 ZINC000069619022 402234408 /nfs/dbraw/zinc/23/44/08/402234408.db2.gz VLEAVSCBPIUKQR-UHFFFAOYSA-N -1 0 317.374 2.013 50 0 DEAARM CN1CC2(CCC1=O)CCN(C(=O)c1ccc(O)c(F)c1)CC2 ZINC000216230461 402287404 /nfs/dbraw/zinc/28/74/04/402287404.db2.gz WQGCZZIPEGGFAS-UHFFFAOYSA-N -1 0 320.364 2.006 50 0 DEAARM CC[C@H](NC(=O)Nc1ccc(OC)c(OC(F)F)c1)C(=O)[O-] ZINC000225565495 402320857 /nfs/dbraw/zinc/32/08/57/402320857.db2.gz PCRLZGWREBARFL-QMMMGPOBSA-N -1 0 318.276 2.281 50 0 DEAARM CC(C)c1noc(CCC(=O)N2CCCC[C@@H]2CCC(=O)[O-])n1 ZINC000236663662 402372258 /nfs/dbraw/zinc/37/22/58/402372258.db2.gz VJDABZCWEBOFID-GFCCVEGCSA-N -1 0 323.393 2.372 50 0 DEAARM CC(C)COc1ccc(CC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000236668550 402372741 /nfs/dbraw/zinc/37/27/41/402372741.db2.gz FLMDWZDFOJVSLC-AWEZNQCLSA-N -1 0 305.374 2.197 50 0 DEAARM Cc1noc(C)c1CC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237589659 402414711 /nfs/dbraw/zinc/41/47/11/402414711.db2.gz HFFDQPNXGCMNOU-XBFCOCLRSA-N -1 0 306.362 2.078 50 0 DEAARM O=C([O-])C1(NC(=O)c2[nH]c3ccccc3c2Br)CC1 ZINC000237965021 402428659 /nfs/dbraw/zinc/42/86/59/402428659.db2.gz JOMASPJOSWFCDB-UHFFFAOYSA-N -1 0 323.146 2.277 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000238095786 402437384 /nfs/dbraw/zinc/43/73/84/402437384.db2.gz TUKIAFLJCMSDAP-AWEZNQCLSA-N -1 0 323.348 2.464 50 0 DEAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1cccc(F)c1)C1CCOCC1 ZINC000238105053 402437694 /nfs/dbraw/zinc/43/76/94/402437694.db2.gz IZWOUYZPMGVLKC-CABCVRRESA-N -1 0 321.348 2.021 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1 ZINC000238150026 402439666 /nfs/dbraw/zinc/43/96/66/402439666.db2.gz LSFNZCLIPUYJPV-JOYOIKCWSA-N -1 0 315.728 2.148 50 0 DEAARM C[C@@H]1CCc2ccccc2N1CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000247324123 402563804 /nfs/dbraw/zinc/56/38/04/402563804.db2.gz SZBPSISNSRVLLW-UKRRQHHQSA-N -1 0 316.401 2.151 50 0 DEAARM O=C([O-])CC[C@H](Cc1ccccc1)NC(=O)c1ccncc1F ZINC000191526595 402676043 /nfs/dbraw/zinc/67/60/43/402676043.db2.gz JQYUTHIOEPFDCL-CYBMUJFWSA-N -1 0 316.332 2.427 50 0 DEAARM Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262674686 402729580 /nfs/dbraw/zinc/72/95/80/402729580.db2.gz YDWKHZCNCJXLMZ-VXGBXAGGSA-N -1 0 316.382 2.455 50 0 DEAARM C[C@@H](NC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000262988455 402739732 /nfs/dbraw/zinc/73/97/32/402739732.db2.gz PZJIEUDKGUCDSE-VXGBXAGGSA-N -1 0 316.357 2.184 50 0 DEAARM Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@H]1C ZINC000263466661 402772284 /nfs/dbraw/zinc/77/22/84/402772284.db2.gz CTUSTAONRIKVFY-MNOVXSKESA-N -1 0 315.366 2.008 50 0 DEAARM COc1cccc(C2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC000263533717 402778243 /nfs/dbraw/zinc/77/82/43/402778243.db2.gz NPHFZXKXRYYLNU-GJZGRUSLSA-N -1 0 303.358 2.122 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC([C@H]3CCCO3)CC2)s1 ZINC000263533773 402778452 /nfs/dbraw/zinc/77/84/52/402778452.db2.gz NQISRNQGGWXRIW-LLVKDONJSA-N -1 0 309.387 2.478 50 0 DEAARM C[C@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1CC(F)(F)F ZINC000263573986 402783237 /nfs/dbraw/zinc/78/32/37/402783237.db2.gz NDUFUCHKAZCKSF-NSHDSACASA-N -1 0 316.323 2.453 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Cc1cc(F)c(F)cc1F)C(=O)[O-] ZINC000195545945 402850867 /nfs/dbraw/zinc/85/08/67/402850867.db2.gz HKYBNZVFEXGZHA-CPFSXVBKSA-N -1 0 303.280 2.262 50 0 DEAARM COc1ccc(CNC(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000272347946 402926725 /nfs/dbraw/zinc/92/67/25/402926725.db2.gz CPTWBTSNPSYIHB-OLZOCXBDSA-N -1 0 321.373 2.211 50 0 DEAARM COCc1ccccc1CS(=O)(=O)[N-]c1onc(C)c1C ZINC000342454619 404586811 /nfs/dbraw/zinc/58/68/11/404586811.db2.gz VCFCTABXXWGDFA-UHFFFAOYSA-N -1 0 310.375 2.380 50 0 DEAARM O=C([O-])CN(C(=O)C/C=C\c1ccc(F)cc1)C1CCOCC1 ZINC000532259424 406060081 /nfs/dbraw/zinc/06/00/81/406060081.db2.gz HEGCNKUJQADWMI-UPHRSURJSA-N -1 0 321.348 2.321 50 0 DEAARM Cc1nc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cs1 ZINC000131947013 196212739 /nfs/dbraw/zinc/21/27/39/196212739.db2.gz OCRAXPTUUWHEAR-GFCCVEGCSA-N -1 0 302.355 2.209 50 0 DEAARM O=C([O-])c1ccc(C(=O)Nc2ncc(Br)s2)o1 ZINC000132619695 196271723 /nfs/dbraw/zinc/27/17/23/196271723.db2.gz LTHCGFYQUXAGIR-UHFFFAOYSA-N -1 0 317.120 2.449 50 0 DEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc3nonc32)c1 ZINC000013947714 418413305 /nfs/dbraw/zinc/41/33/05/418413305.db2.gz ZKMKQPCACULGAJ-UHFFFAOYSA-N -1 0 304.331 2.035 50 0 DEAARM COc1cc(/C=C/C(=O)[O-])ccc1OCC(=O)c1ccc[nH]1 ZINC000048333903 424832793 /nfs/dbraw/zinc/83/27/93/424832793.db2.gz QJQRQRABUFDVDF-FNORWQNLSA-N -1 0 301.298 2.383 50 0 DEAARM CCn1c(=O)c2ccc(C(=O)N(C)CC3CC3)cc2[n-]c1=S ZINC000103487950 424848705 /nfs/dbraw/zinc/84/87/05/424848705.db2.gz LTRGZTAHWHIFTF-UHFFFAOYSA-N -1 0 317.414 2.187 50 0 DEAARM COc1ccc(CC2CCN(C(=O)C3(C(=O)[O-])CC3)CC2)cc1 ZINC000118956620 424852496 /nfs/dbraw/zinc/85/24/96/424852496.db2.gz UYPWMZXLDNJMIF-UHFFFAOYSA-N -1 0 317.385 2.341 50 0 DEAARM O=C([O-])[C@@]1(C(=O)Nc2n[nH]c3c2cccc3Cl)CC=CCC1 ZINC000653286280 425452104 /nfs/dbraw/zinc/45/21/04/425452104.db2.gz PECPSLYDKWNKEJ-HNNXBMFYSA-N -1 0 319.748 2.388 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)c2ccccc21 ZINC000653333755 425464038 /nfs/dbraw/zinc/46/40/38/425464038.db2.gz SUYVVAOGKLWHOS-INMHGKMJSA-N -1 0 323.348 2.420 50 0 DEAARM CC1(C)CN(C(=O)c2cccc(OCC(=O)[O-])c2)C(C)(C)CO1 ZINC000663071210 425791662 /nfs/dbraw/zinc/79/16/62/425791662.db2.gz JJTJHMFGGHTAFI-UHFFFAOYSA-N -1 0 321.373 2.180 50 0 DEAARM CC(C)N(CC(=O)[O-])C(=O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000328587530 279405270 /nfs/dbraw/zinc/40/52/70/279405270.db2.gz AFBFFLVQQXWPHS-DYVFJYSZSA-N -1 0 303.358 2.048 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000070666378 281467021 /nfs/dbraw/zinc/46/70/21/281467021.db2.gz HPVJYDOAPSFAGJ-CABCVRRESA-N -1 0 312.369 2.409 50 0 biogenic DEAARM COc1cccc([C@H]2CCCCN2C(=O)c2cc(=O)[n-]o2)c1 ZINC000216042201 295327070 /nfs/dbraw/zinc/32/70/70/295327070.db2.gz ACUHXXGFZAMCOG-CYBMUJFWSA-N -1 0 302.330 2.344 50 0 DEAARM C[C@H]1CCc2sc3ncn4nc(CCC(=O)[O-])nc4c3c2C1 ZINC000002194689 300092142 /nfs/dbraw/zinc/09/21/42/300092142.db2.gz BDRFPVSZSVUPQG-QMMMGPOBSA-N -1 0 316.386 2.481 50 0 DEAARM Cc1cccc2sc(NC(=O)c3c(C(=O)[O-])cnn3C)nc21 ZINC000020614593 302074146 /nfs/dbraw/zinc/07/41/46/302074146.db2.gz HTPMKEZLQAFLGX-UHFFFAOYSA-N -1 0 316.342 2.289 50 0 DEAARM Cc1nnc(-c2ccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)o1 ZINC000071287346 302808581 /nfs/dbraw/zinc/80/85/81/302808581.db2.gz IVUBPMLADDIWHH-NWDGAFQWSA-N -1 0 315.329 2.340 50 0 DEAARM CCCn1nccc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000575138575 326222837 /nfs/dbraw/zinc/22/28/37/326222837.db2.gz FXWWDXFTVLKWMO-CQSZACIVSA-N -1 0 319.336 2.296 50 0 DEAARM Cn1cc(SCC(=O)N2CCC[C@H]2C(=O)[O-])c2ccccc21 ZINC000426551745 501022512 /nfs/dbraw/zinc/02/25/12/501022512.db2.gz DAIWCCGNGTZSNB-ZDUSSCGKSA-N -1 0 318.398 2.346 50 0 DEAARM O=C([O-])Cc1ccc(NC(=O)c2cnn3c2CCCC3)cc1F ZINC000263276656 501070516 /nfs/dbraw/zinc/07/05/16/501070516.db2.gz WTRORGHXKFWEPN-UHFFFAOYSA-N -1 0 317.320 2.238 50 0 DEAARM CCOc1cc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)ccc1OC ZINC000328593053 528189666 /nfs/dbraw/zinc/18/96/66/528189666.db2.gz KOQSJLHWEUEPCZ-WEVVVXLNSA-N -1 0 319.357 2.183 50 0 DEAARM CC(C)c1nc2ccccc2n1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000426358984 528329295 /nfs/dbraw/zinc/32/92/95/528329295.db2.gz JRRDMXPMJZMXPV-AWEZNQCLSA-N -1 0 315.373 2.235 50 0 DEAARM O=C([O-])[C@@]1(O)CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000888097578 635541682 /nfs/dbraw/zinc/54/16/82/635541682.db2.gz STWBAOLXQIDGER-CYBMUJFWSA-N -1 0 304.173 2.405 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(-c2cnco2)c1 ZINC000863981654 686601743 /nfs/dbraw/zinc/60/17/43/686601743.db2.gz DTBSHONRQDOZQP-CYBMUJFWSA-N -1 0 300.314 2.421 50 0 DEAARM Cc1cc(C)n([C@@H](C)CC(=O)Nc2ccc(C(=O)[O-])nc2)n1 ZINC000864096779 686619506 /nfs/dbraw/zinc/61/95/06/686619506.db2.gz FGKHYFVJGJNGFZ-NSHDSACASA-N -1 0 302.334 2.183 50 0 DEAARM O=C([O-])[C@@H](NC(=O)OCc1ccccc1)[C@H]1CCCC(=O)C1 ZINC000226812849 781866808 /nfs/dbraw/zinc/86/68/08/781866808.db2.gz VFOVLFGRGZCFOP-JSGCOSHPSA-N -1 0 305.330 2.125 50 0 DEAARM CC(C)c1scnc1[N-]S(=O)(=O)c1c[nH]c2ncncc12 ZINC000952880201 792794586 /nfs/dbraw/zinc/79/45/86/792794586.db2.gz CXTLGHSXELOWPQ-UHFFFAOYSA-N -1 0 323.403 2.290 50 0 DEAARM Cc1cccc([C@@H](C(=O)[O-])N2CCN(C(=O)C3CCC3)CC2)c1 ZINC001506414535 1061957555 /nfs/dbraw/zinc/95/75/55/1061957555.db2.gz FICXRJZVQCFSPA-INIZCTEOSA-N -1 0 316.401 2.065 50 0 DEAARM CC(C)c1noc([C@@H]2CCCN(c3nccnc3C(=O)[O-])C2)n1 ZINC001506419261 1061962067 /nfs/dbraw/zinc/96/20/67/1061962067.db2.gz MZTTXNAJSLAQHN-SNVBAGLBSA-N -1 0 317.349 2.065 50 0 DEAARM COc1ccc(OC)c(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000096793875 185388603 /nfs/dbraw/zinc/38/86/03/185388603.db2.gz MJAQJNNDQVIJAG-UJZCVKTISA-N -1 0 319.357 2.040 50 0 DEAARM O=C([O-])C1(CNC(=O)COc2ccc(Cl)c(Cl)c2)CC1 ZINC000166973357 197702362 /nfs/dbraw/zinc/70/23/62/197702362.db2.gz DRTAAQPIWIHKSP-UHFFFAOYSA-N -1 0 318.156 2.353 50 0 DEAARM COc1ccc(OC)c(CCC(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000095424221 185361447 /nfs/dbraw/zinc/36/14/47/185361447.db2.gz ASVMJTVUXXIIOI-AWEZNQCLSA-N -1 0 321.373 2.102 50 0 DEAARM CCn1nc(C)cc1C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000097017513 185397710 /nfs/dbraw/zinc/39/77/10/185397710.db2.gz GZVFVYWMINXMEW-ZDUSSCGKSA-N -1 0 319.336 2.296 50 0 DEAARM O=C([O-])CNc1cc(-c2cc(C3CC3)ncn2)c2cc[nH]c2n1 ZINC000077379815 539363127 /nfs/dbraw/zinc/36/31/27/539363127.db2.gz XKWCHOAFXYMYHD-UHFFFAOYSA-N -1 0 309.329 2.394 50 0 DEAARM Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2cn[nH]n2)c1 ZINC000133597638 539507635 /nfs/dbraw/zinc/50/76/35/539507635.db2.gz OQJOJIMVSXJLJB-HIFRSBDPSA-N -1 0 300.362 2.233 50 0 DEAARM CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(C(=O)[O-])c2)c1C ZINC000170045198 539614363 /nfs/dbraw/zinc/61/43/63/539614363.db2.gz MGYUDQUWYDWPKB-UHFFFAOYSA-N -1 0 314.341 2.462 50 0 DEAARM O=C([O-])[C@H]1CCC[C@H]1NC(=O)c1coc(-c2ccccc2)n1 ZINC000141358508 186029667 /nfs/dbraw/zinc/02/96/67/186029667.db2.gz ACTLJEZHXAUXIN-NWDGAFQWSA-N -1 0 300.314 2.325 50 0 DEAARM COc1ccc(OC)c(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000072274548 191097065 /nfs/dbraw/zinc/09/70/65/191097065.db2.gz TYCCZAPHLYASAW-MRZGDXHCSA-N -1 0 319.357 2.183 50 0 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308.293 2.172 50 0 DEAARM COc1ccc(CNc2c3cnn(C)c3ncc2C(=O)[O-])cc1 ZINC000004650733 181132319 /nfs/dbraw/zinc/13/23/19/181132319.db2.gz KYEOQOAADDUAPC-UHFFFAOYSA-N -1 0 312.329 2.287 50 0 DEAARM COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1O ZINC000004681586 181136112 /nfs/dbraw/zinc/13/61/12/181136112.db2.gz HOBKRGISTAYLJG-WDZFZDKYSA-N -1 0 307.331 2.045 50 0 DEAARM CCc1nc2c([N-]S(=O)(=O)c3ccccc3)cccn2n1 ZINC000065283979 354681663 /nfs/dbraw/zinc/68/16/63/354681663.db2.gz RNQJBGIIKOJFLQ-UHFFFAOYSA-N -1 0 302.359 2.093 50 0 DEAARM CCc1nc2c([N-]S(=O)(=O)c3ccc(F)cc3)cccn2n1 ZINC000065283980 354681757 /nfs/dbraw/zinc/68/17/57/354681757.db2.gz ZLFNGEIYMBRQDA-UHFFFAOYSA-N -1 0 320.349 2.232 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)n2cnc(/C=C/C(=O)[O-])c2)c(C)c1 ZINC000005313970 181228718 /nfs/dbraw/zinc/22/87/18/181228718.db2.gz HXJUOMPAZLHHDX-SNAWJCMRSA-N -1 0 320.370 2.143 50 0 DEAARM CCCO[C@H]1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000236902692 202061253 /nfs/dbraw/zinc/06/12/53/202061253.db2.gz 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ZINC000237371575 202246974 /nfs/dbraw/zinc/24/69/74/202246974.db2.gz BOQKCAOWDRFOPQ-ZDUSSCGKSA-N -1 0 305.374 2.341 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 ZINC000170000952 304077059 /nfs/dbraw/zinc/07/70/59/304077059.db2.gz LPHOGBBEWJWSAT-OAHLLOKOSA-N -1 0 317.385 2.201 50 0 DEAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccccc1C(F)(F)F ZINC000221195517 304078812 /nfs/dbraw/zinc/07/88/12/304078812.db2.gz CFUPGFIFJMHJSQ-SECBINFHSA-N -1 0 317.263 2.021 50 0 DEAARM C[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC000668289762 540638097 /nfs/dbraw/zinc/63/80/97/540638097.db2.gz CRGKHDSKQFDNJC-HUBLWGQQSA-N -1 0 321.373 2.142 50 0 DEAARM C[C@@H](CCOc1ccccc1)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237575934 202288811 /nfs/dbraw/zinc/28/88/11/202288811.db2.gz AKNVMIHFZYSOGN-GUYCJALGSA-N -1 0 305.374 2.415 50 0 DEAARM Cc1ccc2n[nH]c(C(=O)NC3CCC(C(=O)[O-])CC3)c2c1 ZINC000237863933 202374165 /nfs/dbraw/zinc/37/41/65/202374165.db2.gz IEFBRCZGVVYACS-UHFFFAOYSA-N -1 0 301.346 2.245 50 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COc1ccc(Nc2nnc(C(C)(C)C)c(=O)[n-]2)c(OC)c1 ZINC000018085832 182092870 /nfs/dbraw/zinc/09/28/70/182092870.db2.gz ULGSFKMHNMZFEW-UHFFFAOYSA-N -1 0 304.350 2.223 50 0 DEAARM Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(N)=O ZINC000022841678 182336807 /nfs/dbraw/zinc/33/68/07/182336807.db2.gz UNVYBDZUKKVHFN-UHFFFAOYSA-N -1 0 308.334 2.034 50 0 DEAARM O=C(NCc1nnc2ccccn21)c1ccc([O-])c(Cl)c1 ZINC000023644536 182365258 /nfs/dbraw/zinc/36/52/58/182365258.db2.gz JLZNAWDIVHNAGV-UHFFFAOYSA-N -1 0 302.721 2.018 50 0 DEAARM O=C(/C=C\c1ccc(C(=O)[O-])cc1)NCCc1nccs1 ZINC000492155606 249007775 /nfs/dbraw/zinc/00/77/75/249007775.db2.gz NFIQFVZIBOPGBR-UTCJRWHESA-N -1 0 302.355 2.213 50 0 DEAARM Cc1cc(C)c(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c(C)c1 ZINC000041670330 183214577 /nfs/dbraw/zinc/21/45/77/183214577.db2.gz YVEVKRHCZJLXAT-UHFFFAOYSA-N -1 0 314.341 2.110 50 0 DEAARM COc1cc(C(=O)N(C)C[C@@H](C)C(=O)[O-])cc(Cl)c1OC ZINC000042695255 183297212 /nfs/dbraw/zinc/29/72/12/183297212.db2.gz LGYFBEWYKRLCGN-MRVPVSSYSA-N -1 0 315.753 2.150 50 0 DEAARM C[C@@H](CN(C)C(=O)c1csc(Br)c1)C(=O)[O-] ZINC000042695160 183297271 /nfs/dbraw/zinc/29/72/71/183297271.db2.gz FPQUWJIZVNEQRD-LURJTMIESA-N -1 0 306.181 2.303 50 0 DEAARM C[C@@H](CN(C)C(=O)Cc1cccc(Br)c1)C(=O)[O-] ZINC000050040136 183769013 /nfs/dbraw/zinc/76/90/13/183769013.db2.gz MFXFZVSTKSFKDY-VIFPVBQESA-N -1 0 314.179 2.171 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CCOc3ccccc32)o1 ZINC000268901585 207069921 /nfs/dbraw/zinc/06/99/21/207069921.db2.gz FWDFBVNEXRJVQU-LBPRGKRZSA-N -1 0 301.298 2.160 50 0 DEAARM O=C([O-])[C@@H](CO)Nc1ncnc2sc(-c3ccccc3)cc21 ZINC000057791437 184052728 /nfs/dbraw/zinc/05/27/28/184052728.db2.gz MBNNUXAKQYVCRH-LLVKDONJSA-N -1 0 315.354 2.216 50 0 DEAARM CCCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000269209570 207327440 /nfs/dbraw/zinc/32/74/40/207327440.db2.gz VPAFRMFCTPZENZ-CYBMUJFWSA-N -1 0 321.373 2.421 50 0 DEAARM COc1ccc(CNC(=O)[C@H]2[C@@H]3CCCC[C@@H]32)cc1C(=O)[O-] ZINC000299753388 257256304 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/nfs/dbraw/zinc/71/80/10/401718010.db2.gz OEPBYEDEGRWOGI-UHFFFAOYSA-N -1 0 321.189 2.005 50 0 DEAARM Cc1c(S(=O)(=O)[N-]c2ccccc2OC(F)F)cnn1C ZINC000002792194 401718735 /nfs/dbraw/zinc/71/87/35/401718735.db2.gz PCFFSIZRKIOBMJ-UHFFFAOYSA-N -1 0 317.317 2.131 50 0 DEAARM O=C([O-])c1ccccc1OCC(=O)NCc1ccccc1F ZINC000013411561 401799254 /nfs/dbraw/zinc/79/92/54/401799254.db2.gz QEWXIQLGBDIXFO-UHFFFAOYSA-N -1 0 303.289 2.219 50 0 DEAARM COc1cccc(CC(=O)NCCc2ccc(C(=O)[O-])cc2)c1 ZINC000013443076 401800010 /nfs/dbraw/zinc/80/00/10/401800010.db2.gz FGPKRZAUACYHEF-UHFFFAOYSA-N -1 0 313.353 2.295 50 0 DEAARM CCC1C(=O)N=C(SCC(=O)c2ccc(OC)cc2)N=C1[O-] ZINC000010060476 401767903 /nfs/dbraw/zinc/76/79/03/401767903.db2.gz ISKBTGAIELBAJL-UHFFFAOYSA-N -1 0 320.370 2.022 50 0 DEAARM Cc1cc(C)c(NC(=O)CSc2nncc(=O)[n-]2)c(Cl)c1 ZINC000011990563 401778233 /nfs/dbraw/zinc/77/82/33/401778233.db2.gz BEWZTEXAGWRSPV-UHFFFAOYSA-N -1 0 324.793 2.166 50 0 DEAARM CC[C@]1(C(=O)OC)C[C@H](C(=O)[O-])[C@@H](c2ccc(F)cc2)N1C ZINC000012336701 401784099 /nfs/dbraw/zinc/78/40/99/401784099.db2.gz VKNSHFZHNUXUHI-WOSRLPQWSA-N -1 0 309.337 2.225 50 0 DEAARM CCOC(=O)COc1c(Cl)cc(C(=O)[O-])cc1OCC ZINC000012394220 401784238 /nfs/dbraw/zinc/78/42/38/401784238.db2.gz LRZLGUZVDHSWNM-UHFFFAOYSA-N -1 0 302.710 2.379 50 0 DEAARM COc1ccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c(Cl)c1 ZINC000128608737 401785192 /nfs/dbraw/zinc/78/51/92/401785192.db2.gz QFJFRWYRAWERLQ-CYBMUJFWSA-N -1 0 311.765 2.357 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)NCCc1ccccc1 ZINC000012661746 401789590 /nfs/dbraw/zinc/78/95/90/401789590.db2.gz IOPNVZDAZXKDEU-MRXNPFEDSA-N -1 0 312.369 2.224 50 0 biogenic DEAARM COc1cccc(N2CCN(c3ncccc3C(=O)[O-])CC2)c1 ZINC000013091108 401796311 /nfs/dbraw/zinc/79/63/11/401796311.db2.gz WHAPOJYDXBFKND-UHFFFAOYSA-N -1 0 313.357 2.115 50 0 DEAARM COc1ccccc1N1CCN(c2ncccc2C(=O)[O-])CC1 ZINC000013090309 401796560 /nfs/dbraw/zinc/79/65/60/401796560.db2.gz JPGMNSOHIWFCTI-UHFFFAOYSA-N -1 0 313.357 2.115 50 0 DEAARM CC(C)[C@@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000028580253 401852745 /nfs/dbraw/zinc/85/27/45/401852745.db2.gz IIZHVUMESXTUPZ-CYBMUJFWSA-N -1 0 313.419 2.372 50 0 DEAARM CC(C)(C)NC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1 ZINC000014836746 401813886 /nfs/dbraw/zinc/81/38/86/401813886.db2.gz CRVDVDZUPQSXDY-UHFFFAOYSA-N -1 0 306.362 2.408 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000040714848 401926177 /nfs/dbraw/zinc/92/61/77/401926177.db2.gz NYVSOVPDXKAGFF-AGIUHOORSA-N -1 0 321.377 2.323 50 0 DEAARM Cc1cc(C)c2c(N)c(C(=O)N3CCC[C@@H]3C(=O)[O-])sc2n1 ZINC000032218518 401877743 /nfs/dbraw/zinc/87/77/43/401877743.db2.gz ITJZBFQIKZAEDC-SECBINFHSA-N -1 0 319.386 2.185 50 0 DEAARM Cc1cccc(Cn2cc(NC(=O)CCCC(=O)[O-])cn2)c1 ZINC000032610063 401880288 /nfs/dbraw/zinc/88/02/88/401880288.db2.gz XXOKSIOZOKMISR-UHFFFAOYSA-N -1 0 301.346 2.433 50 0 DEAARM CCCCN(CC)c1ccc(NS(C)(=O)=O)cc1C(=O)[O-] ZINC000033253558 401889665 /nfs/dbraw/zinc/88/96/65/401889665.db2.gz ZJHVHOQODCYZLX-UHFFFAOYSA-N -1 0 314.407 2.383 50 0 DEAARM C[C@@H](Oc1ccccc1Cl)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000037436006 401913585 /nfs/dbraw/zinc/91/35/85/401913585.db2.gz RKFYXZLLQZEWKE-GHMZBOCLSA-N -1 0 311.765 2.431 50 0 DEAARM CC(C)N(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1 ZINC000037994512 401919417 /nfs/dbraw/zinc/91/94/17/401919417.db2.gz AOSCSCILLVZCSF-UHFFFAOYSA-N -1 0 307.371 2.324 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000136533676 401968804 /nfs/dbraw/zinc/96/88/04/401968804.db2.gz MJHNBNVQPINTLZ-NSHDSACASA-N -1 0 306.343 2.482 50 0 DEAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@@H](C)C(=O)[O-] ZINC000049549663 402019574 /nfs/dbraw/zinc/01/95/74/402019574.db2.gz PJMVHGCXBPRQEZ-QMMMGPOBSA-N -1 0 308.334 2.461 50 0 DEAARM C[C@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000095918251 402034380 /nfs/dbraw/zinc/03/43/80/402034380.db2.gz PGOYKDKWLOXKLC-ZJUUUORDSA-N -1 0 301.408 2.004 50 0 DEAARM C[C@@H](CNC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000095970583 402039060 /nfs/dbraw/zinc/03/90/60/402039060.db2.gz JXCNHAPUMQYADM-VIFPVBQESA-N -1 0 314.179 2.219 50 0 DEAARM Cc1nn(C)cc1CCC(=O)Nc1ccc(/C=C/C(=O)[O-])cc1 ZINC000096480412 402093821 /nfs/dbraw/zinc/09/38/21/402093821.db2.gz UATVSLCAFFXHJU-BJMVGYQFSA-N -1 0 313.357 2.398 50 0 DEAARM CCc1ccc(C(=O)N[C@H](Cc2ccc(F)cc2)C(=O)[O-])o1 ZINC000097036391 402100991 /nfs/dbraw/zinc/10/09/91/402100991.db2.gz NPNGYTUYSLQLTK-CYBMUJFWSA-N -1 0 305.305 2.407 50 0 DEAARM Cc1nn(-c2ccccc2)cc1C(=O)N[C@H]1CC[C@H](C(=O)[O-])C1 ZINC000097039460 402101201 /nfs/dbraw/zinc/10/12/01/402101201.db2.gz HHUOOCRNZUXKPQ-STQMWFEESA-N -1 0 313.357 2.164 50 0 DEAARM NC(=O)CCN(Cc1ccccc1)C(=O)c1c([O-])cccc1F ZINC000122926735 402101505 /nfs/dbraw/zinc/10/15/05/402101505.db2.gz TVPASMRPMXZCOV-UHFFFAOYSA-N -1 0 316.332 2.049 50 0 DEAARM Cc1cc(C)n(-c2ccc(C(=O)N[C@H](C)CCC(=O)[O-])cc2)n1 ZINC000097231836 402118666 /nfs/dbraw/zinc/11/86/66/402118666.db2.gz FAFLFOLKWVHCHZ-LLVKDONJSA-N -1 0 315.373 2.472 50 0 DEAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000101167593 402144383 /nfs/dbraw/zinc/14/43/83/402144383.db2.gz KPYRKUGYFUPUSX-HZPDHXFCSA-N -1 0 320.352 2.488 50 0 DEAARM CCCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347890 402144735 /nfs/dbraw/zinc/14/47/35/402144735.db2.gz IDDIOWKNJKGNAP-LBPRGKRZSA-N -1 0 300.318 2.050 50 0 DEAARM O=C([O-])c1csc(CNC(=O)c2cc3ccccn3c2)n1 ZINC000124237470 402170721 /nfs/dbraw/zinc/17/07/21/402170721.db2.gz BDDBNQQDGTVPNI-UHFFFAOYSA-N -1 0 301.327 2.024 50 0 DEAARM COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(OC)c1 ZINC000069487747 402226072 /nfs/dbraw/zinc/22/60/72/402226072.db2.gz GWZHDTHBANRCSB-GDBMZVCRSA-N -1 0 321.373 2.096 50 0 DEAARM Cc1ccc(C)c(S(=O)(=O)[N-]c2cnc3ccnn3c2)c1 ZINC000225575736 402321485 /nfs/dbraw/zinc/32/14/85/402321485.db2.gz XRLJFWPASPXPIC-UHFFFAOYSA-N -1 0 302.359 2.147 50 0 DEAARM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])[C@H]2CCOC2)cc1Cl ZINC000225708149 402321955 /nfs/dbraw/zinc/32/19/55/402321955.db2.gz ZWNMVAIMFZTRQS-JOYOIKCWSA-N -1 0 312.753 2.260 50 0 DEAARM O=C(c1cccc2ccccc21)N1CC[C@@H](N2C(=O)COC2=O)C1 ZINC000225702333 402322081 /nfs/dbraw/zinc/32/20/81/402322081.db2.gz BIUQHCBLCKBWBZ-CYBMUJFWSA-N -1 0 324.336 2.033 50 0 DEAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)Cc1ccon1 ZINC000236626670 402369436 /nfs/dbraw/zinc/36/94/36/402369436.db2.gz QTNOXOKWFMYDEN-UHFFFAOYSA-N -1 0 304.302 2.341 50 0 DEAARM CC1(C)[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]2CCO[C@@H]21 ZINC000236769838 402381495 /nfs/dbraw/zinc/38/14/95/402381495.db2.gz AWJRYOKUABSNME-IMJJTQAJSA-N -1 0 317.385 2.247 50 0 DEAARM CCn1ccc(NC(=O)C[C@H](CC(=O)[O-])c2ccccc2)n1 ZINC000226748816 402329673 /nfs/dbraw/zinc/32/96/73/402329673.db2.gz RNYKYYMMAMIOGR-CYBMUJFWSA-N -1 0 301.346 2.490 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)CC/C=C/c2ccccc2)CCO1 ZINC000238046642 402434358 /nfs/dbraw/zinc/43/43/58/402434358.db2.gz OVNWUQQULYPBLP-LWUPOJRFSA-N -1 0 303.358 2.182 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000238050398 402434750 /nfs/dbraw/zinc/43/47/50/402434750.db2.gz OHQANYGSCLFBPM-ZDUSSCGKSA-N -1 0 323.776 2.074 50 0 DEAARM O=C([O-])CN(C(=O)Cc1ccccc1Br)C1CC1 ZINC000238075424 402436097 /nfs/dbraw/zinc/43/60/97/402436097.db2.gz TWLHWQOATJMVCN-UHFFFAOYSA-N -1 0 312.163 2.067 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cccn2CCc2ccccc2)C1 ZINC000238096764 402437671 /nfs/dbraw/zinc/43/76/71/402437671.db2.gz INKDTQOURKYTBI-HNNXBMFYSA-N -1 0 312.369 2.278 50 0 DEAARM O=C([O-])CN(C(=O)c1ccc(Cl)cc1F)C1CCOCC1 ZINC000238108773 402437988 /nfs/dbraw/zinc/43/79/88/402437988.db2.gz XRIHEPBTMLSWAD-UHFFFAOYSA-N -1 0 315.728 2.185 50 0 DEAARM CN1Cc2cc([N-]S(=O)(=O)c3ccco3)ccc2NC1=O ZINC000253427034 402666025 /nfs/dbraw/zinc/66/60/25/402666025.db2.gz KNQIOOWPTITCHH-UHFFFAOYSA-N -1 0 307.331 2.058 50 0 DEAARM CC[C@@H](C(=O)[O-])N(CC)CC(=O)Nc1c(F)cccc1F ZINC000191396657 402666301 /nfs/dbraw/zinc/66/63/01/402666301.db2.gz CPFZBFFCAJCKJL-NSHDSACASA-N -1 0 300.305 2.088 50 0 DEAARM Cc1ccc(CCCCC(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000262550021 402727161 /nfs/dbraw/zinc/72/71/61/402727161.db2.gz WVIJRHFTJDXFPK-HNNXBMFYSA-N -1 0 305.374 2.020 50 0 DEAARM C[C@H](NC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000262988454 402739724 /nfs/dbraw/zinc/73/97/24/402739724.db2.gz PZJIEUDKGUCDSE-RYUDHWBXSA-N -1 0 316.357 2.184 50 0 DEAARM COc1ccc(F)cc1CC(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000263554966 402780999 /nfs/dbraw/zinc/78/09/99/402780999.db2.gz YIKIIQNYOKPROY-NKFCBESUSA-N -1 0 321.348 2.089 50 0 DEAARM Cc1noc(C)c1C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263421997 402767816 /nfs/dbraw/zinc/76/78/16/402767816.db2.gz JBDNWVNGIFLCBB-CYBMUJFWSA-N -1 0 302.330 2.059 50 0 DEAARM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263441870 402769488 /nfs/dbraw/zinc/76/94/88/402769488.db2.gz XGJXTGDWLHSTOE-UONOGXRCSA-N -1 0 320.389 2.446 50 0 DEAARM Cc1ccc(C)c(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263505915 402776131 /nfs/dbraw/zinc/77/61/31/402776131.db2.gz MBRCSMHXPGCSCP-QWHCGFSZSA-N -1 0 311.403 2.177 50 0 DEAARM CCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2C)[nH]n1 ZINC000195551298 402850862 /nfs/dbraw/zinc/85/08/62/402850862.db2.gz PHLKBYPNUWRSHN-ZDUSSCGKSA-N -1 0 301.346 2.226 50 0 DEAARM Cc1ccc(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000265592564 402931906 /nfs/dbraw/zinc/93/19/06/402931906.db2.gz PUVABTYZQFNHRG-ILXRZTDVSA-N -1 0 302.374 2.177 50 0 DEAARM Cc1cc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)c(C)o1 ZINC000131543684 196178904 /nfs/dbraw/zinc/17/89/04/196178904.db2.gz JFDIUCXKJWJAQD-UHFFFAOYSA-N -1 0 309.343 2.420 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000136118415 196520906 /nfs/dbraw/zinc/52/09/06/196520906.db2.gz BRTURYMWAXFILB-ZFWWWQNUSA-N -1 0 303.358 2.014 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccn(-c2cccc(F)c2)n1 ZINC000136521736 196540310 /nfs/dbraw/zinc/54/03/10/196540310.db2.gz OWZAOHIVBWVBPW-AWEZNQCLSA-N -1 0 317.320 2.091 50 0 DEAARM C[C@H]1CC[C@H](CCC(=O)NCCc2ccc(C(=O)[O-])cc2)O1 ZINC000237560992 225211924 /nfs/dbraw/zinc/21/19/24/225211924.db2.gz RDEQTKJBYBZHPB-SWLSCSKDSA-N -1 0 305.374 2.391 50 0 DEAARM C[C@@H](C(=O)[O-])[S@](=O)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000408520170 227239256 /nfs/dbraw/zinc/23/92/56/227239256.db2.gz PDABSEXZJWAAAG-AMXDTQDGSA-N -1 0 323.414 2.035 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1CC(=O)NCc1cccs1 ZINC000299745116 229383630 /nfs/dbraw/zinc/38/36/30/229383630.db2.gz WGPBCXGSVRCFEW-XBFCOCLRSA-N -1 0 322.430 2.082 50 0 DEAARM COCc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])o1 ZINC000299744299 229385351 /nfs/dbraw/zinc/38/53/51/229385351.db2.gz ODJXAAVDLLECPT-UHTWSYAYSA-N -1 0 307.346 2.284 50 0 DEAARM COC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000048383548 424832837 /nfs/dbraw/zinc/83/28/37/424832837.db2.gz FDXXLDBOZDLWIV-OLZOCXBDSA-N -1 0 318.329 2.470 50 0 DEAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1cccnc1Cl ZINC000101775429 424847413 /nfs/dbraw/zinc/84/74/13/424847413.db2.gz FQXBGBXRKRDERS-NSHDSACASA-N -1 0 308.769 2.164 50 0 DEAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2nccc(C)n2)c1=O ZINC000102621669 424847826 /nfs/dbraw/zinc/84/78/26/424847826.db2.gz BUMSNYDNQJGZSX-UHFFFAOYSA-N -1 0 324.340 2.078 50 0 DEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCC2(CC1)OCCO2 ZINC000118767178 424852380 /nfs/dbraw/zinc/85/23/80/424852380.db2.gz XVDPXPCEQBELCI-UHFFFAOYSA-N -1 0 320.370 2.096 50 0 DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCC2)cc1Cl ZINC000653496445 425161111 /nfs/dbraw/zinc/16/11/11/425161111.db2.gz RBNWSLSETBJRBX-UHFFFAOYSA-N -1 0 317.794 2.276 50 0 DEAARM Cc1noc(C)c1CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653334200 425464020 /nfs/dbraw/zinc/46/40/20/425464020.db2.gz YLVZTXSRFWVZRO-HUUCEWRRSA-N -1 0 314.341 2.263 50 0 DEAARM Cc1ccc(C(=O)NC2(CC(=O)[O-])CCOCC2)c(Cl)c1 ZINC000663122952 425802726 /nfs/dbraw/zinc/80/27/26/425802726.db2.gz RFCNHYFQTNDUQA-UHFFFAOYSA-N -1 0 311.765 2.402 50 0 DEAARM CC(=O)Nc1ccc2c(c1)C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000003147698 278205050 /nfs/dbraw/zinc/20/50/50/278205050.db2.gz ALTYJXDXXBSXOA-UHFFFAOYSA-N -1 0 324.292 2.144 50 0 DEAARM COc1cc(OC)c(CN(C)Cc2ccon2)c(C(=O)[O-])c1 ZINC000097713476 295005688 /nfs/dbraw/zinc/00/56/88/295005688.db2.gz ZKYHVUBVKUUARE-UHFFFAOYSA-N -1 0 306.318 2.022 50 0 DEAARM Cc1cc2c(cc1C)O[C@@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])C2 ZINC000136487149 301438039 /nfs/dbraw/zinc/43/80/39/301438039.db2.gz LPUPKEBZBSIFSK-UKRRQHHQSA-N -1 0 303.358 2.073 50 0 DEAARM Cn1ccc([N-]S(=O)(=O)c2cc(Cl)c(N)c(Cl)c2)n1 ZINC000071916541 302956007 /nfs/dbraw/zinc/95/60/07/302956007.db2.gz RNRWFGFABVOMLZ-UHFFFAOYSA-N -1 0 321.189 2.110 50 0 DEAARM O=C1[N-]S(=O)(=O)c2cccnc2N1c1ccc(Cl)cc1 ZINC000096511562 304796676 /nfs/dbraw/zinc/79/66/76/304796676.db2.gz BGLLJXNBPNZCAZ-UHFFFAOYSA-N -1 0 309.734 2.489 50 0 DEAARM O=C([O-])c1ccc(NC(=O)CCc2nc3cccnc3[nH]2)cc1 ZINC000079464846 331967513 /nfs/dbraw/zinc/96/75/13/331967513.db2.gz QZZYKJBWPCWAET-UHFFFAOYSA-N -1 0 310.313 2.227 50 0 DEAARM CCn1cnnc1-c1ccccc1NC(=O)c1ncccc1[O-] ZINC000123043524 337382959 /nfs/dbraw/zinc/38/29/59/337382959.db2.gz ZGAJVXZEJUVEOP-UHFFFAOYSA-N -1 0 309.329 2.318 50 0 DEAARM C[C@@H](CN(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000299331739 533726306 /nfs/dbraw/zinc/72/63/06/533726306.db2.gz CJFKDAXLCKQRNG-SWLSCSKDSA-N -1 0 321.373 2.037 50 0 DEAARM CO[C@@](C)(C(=O)NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000124370512 518117146 /nfs/dbraw/zinc/11/71/46/518117146.db2.gz JAWSURXXXWCYTB-OAHLLOKOSA-N -1 0 320.370 2.019 50 0 DEAARM O=C([O-])CN(Cc1ccccc1)C(=O)[C@@H]1COc2ccccc21 ZINC000299746571 534501112 /nfs/dbraw/zinc/50/11/12/534501112.db2.gz YELQHHGIBBKVMW-OAHLLOKOSA-N -1 0 311.337 2.276 50 0 DEAARM CC(C)(C)OC(=O)Nc1ncc(Br)nc1C(=O)[O-] ZINC000725374690 787356745 /nfs/dbraw/zinc/35/67/45/787356745.db2.gz FNFTZNOCILCPLB-UHFFFAOYSA-N -1 0 318.127 2.284 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)C2(C(F)F)CC2)C[C@H]1c1ccccc1 ZINC000843335341 799574789 /nfs/dbraw/zinc/57/47/89/799574789.db2.gz KXZBYIBCWJGKPE-NWDGAFQWSA-N -1 0 309.312 2.359 50 0 DEAARM CN(Cc1cc(-c2ccccn2)no1)c1nc(C(=O)[O-])co1 ZINC001529155339 1070888760 /nfs/dbraw/zinc/88/87/60/1070888760.db2.gz RFENWKXUMFSJMF-UHFFFAOYSA-N -1 0 300.274 2.059 50 0 DEAARM O=C(COC1CCCC1)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000095393778 185352051 /nfs/dbraw/zinc/35/20/51/185352051.db2.gz BSOLENANBPGHAZ-UHFFFAOYSA-N -1 0 303.318 2.340 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cc(C2CCCC2)[nH]n1 ZINC000097015468 185397262 /nfs/dbraw/zinc/39/72/62/185397262.db2.gz OJPWMUPGMQRGCF-UHFFFAOYSA-N -1 0 310.379 2.473 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1ccccc1Br ZINC000148826119 186046106 /nfs/dbraw/zinc/04/61/06/186046106.db2.gz IJZVSYQXNZDJJD-FXBDTBDDSA-N -1 0 312.163 2.347 50 0 DEAARM CCOC(=O)C(NC(=O)OC(C)(C)C)=C([O-])c1ccccc1 ZINC000072233120 191079463 /nfs/dbraw/zinc/07/94/63/191079463.db2.gz DVPJXQCIYYLQGB-GFCCVEGCSA-N -1 0 307.346 2.326 50 0 DEAARM O=S1(=O)C=C([O-])c2sccc2N1Cc1cccc(F)c1 ZINC000072265050 191089703 /nfs/dbraw/zinc/08/97/03/191089703.db2.gz QMJOSAYUQNXDNE-UHFFFAOYSA-N -1 0 311.359 2.420 50 0 DEAARM COc1ccc(-c2cnc(CN3CCC[C@H]3C(=O)[O-])o2)cc1 ZINC000237446815 186290599 /nfs/dbraw/zinc/29/05/99/186290599.db2.gz RUYHAAIDJCLGAE-ZDUSSCGKSA-N -1 0 302.330 2.399 50 0 DEAARM CCOc1ccc(NC(=O)[C@@H](CC(=O)[O-])[C@@H]2CCCO2)cc1 ZINC000000141425 180706223 /nfs/dbraw/zinc/70/62/23/180706223.db2.gz NUOVTMVEJZEPSN-KBPBESRZSA-N -1 0 307.346 2.294 50 0 DEAARM CCn1c(SCC(=O)[O-])nnc1-c1ccc(OC)c(OC)c1 ZINC000000268918 180744016 /nfs/dbraw/zinc/74/40/16/180744016.db2.gz XUZJGIUIQKNYDL-UHFFFAOYSA-N -1 0 323.374 2.159 50 0 DEAARM O=C([O-])[C@@]1(O)c2ccccc2NC(=S)N1Cc1ccccc1 ZINC000003886422 181052892 /nfs/dbraw/zinc/05/28/92/181052892.db2.gz RUHDGFSTNVIPGD-INIZCTEOSA-N -1 0 314.366 2.349 50 0 DEAARM O=C([O-])C1CCC(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000263377799 304038333 /nfs/dbraw/zinc/03/83/33/304038333.db2.gz CDXOMYYNTWCQBI-BPCQOVAHSA-N -1 0 320.393 2.290 50 0 DEAARM O=C([O-])c1ccccc1OC[C@H](O)Cn1cnc2ccccc21 ZINC000004905097 181170936 /nfs/dbraw/zinc/17/09/36/181170936.db2.gz VJNQOOSCWTVZNK-GFCCVEGCSA-N -1 0 312.325 2.174 50 0 DEAARM CCn1cnc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)n2)c1 ZINC000075092353 355067571 /nfs/dbraw/zinc/06/75/71/355067571.db2.gz NGRARFSRWVHEKH-UHFFFAOYSA-N -1 0 320.296 2.118 50 0 DEAARM CCc1nnc(C)cc1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000391233557 540136954 /nfs/dbraw/zinc/13/69/54/540136954.db2.gz IUQBIBDIQGSOSY-KRWDZBQOSA-N -1 0 313.357 2.077 50 0 DEAARM Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(C)c(O)c1 ZINC000076059537 191565309 /nfs/dbraw/zinc/56/53/09/191565309.db2.gz MGOGIXWQQGIWDH-UHFFFAOYSA-N -1 0 315.782 2.197 50 0 DEAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)c1 ZINC000097231283 355703348 /nfs/dbraw/zinc/70/33/48/355703348.db2.gz PAMMPOWDNXGSLA-CYBMUJFWSA-N -1 0 319.386 2.049 50 0 DEAARM O=C([O-])C1(C(=O)NCCCc2nc3ccccc3s2)CC1 ZINC000165030057 355975376 /nfs/dbraw/zinc/97/53/76/355975376.db2.gz IYKRYSAOQHSWHO-UHFFFAOYSA-N -1 0 304.371 2.210 50 0 DEAARM O=C([O-])c1ccc(C[NH2+]Cc2cc([N+](=O)[O-])ccc2[O-])cc1 ZINC000170612867 355990354 /nfs/dbraw/zinc/99/03/54/355990354.db2.gz AMDQTKZEHXLHQN-UHFFFAOYSA-N -1 0 302.286 2.288 50 0 DEAARM Cc1c2cc(Cl)c([O-])cc2oc(=O)c1CC(=O)NC1CC1 ZINC000005322912 181229658 /nfs/dbraw/zinc/22/96/58/181229658.db2.gz OIQWNYNDXFTGTG-UHFFFAOYSA-N -1 0 307.733 2.282 50 0 DEAARM CCOc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000236960185 202095754 /nfs/dbraw/zinc/09/57/54/202095754.db2.gz NWUNSLHTLBUMDZ-UBHSHLNASA-N -1 0 318.373 2.338 50 0 DEAARM CCc1ccc(-c2noc(CN3CCC[C@@H]3C(=O)[O-])n2)cc1 ZINC000237001841 202117098 /nfs/dbraw/zinc/11/70/98/202117098.db2.gz RVDVPEYBNNJSID-CYBMUJFWSA-N -1 0 301.346 2.348 50 0 DEAARM COc1ccccc1S(=O)(=O)[N-]c1ccc2c[nH]nc2c1 ZINC000005827149 181287922 /nfs/dbraw/zinc/28/79/22/181287922.db2.gz UBRISLCRQPOLTP-UHFFFAOYSA-N -1 0 303.343 2.372 50 0 DEAARM CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000237155709 202170965 /nfs/dbraw/zinc/17/09/65/202170965.db2.gz PZHDUVLNXKDFEZ-UWVGGRQHSA-N -1 0 317.263 2.232 50 0 DEAARM CC(C)c1nc(=NCc2nnc3c(Cl)cccn23)s[n-]1 ZINC000585132770 357336361 /nfs/dbraw/zinc/33/63/61/357336361.db2.gz ULOPXKRNYIRPOA-UHFFFAOYSA-N -1 0 308.798 2.392 50 0 DEAARM C[C@H](CN(C(=O)c1c(Cl)nc2ccccn21)C1CC1)C(=O)[O-] ZINC000237370529 202246674 /nfs/dbraw/zinc/24/66/74/202246674.db2.gz KTEBEWOPCKKDLG-SECBINFHSA-N -1 0 321.764 2.313 50 0 DEAARM Cc1cccc(OCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1C ZINC000237700218 202331653 /nfs/dbraw/zinc/33/16/53/202331653.db2.gz UJVVCJZBRVNOFY-QGZVFWFLSA-N -1 0 305.374 2.396 50 0 DEAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(Cl)cc1F ZINC000237700585 202332004 /nfs/dbraw/zinc/33/20/04/202332004.db2.gz QRVFLMMFSHEPEL-VIFPVBQESA-N -1 0 315.728 2.103 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000238085909 202438555 /nfs/dbraw/zinc/43/85/55/202438555.db2.gz LKIMZZMNTDVZOK-CYBMUJFWSA-N -1 0 319.748 2.215 50 0 DEAARM COc1ccc(/C(C)=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000606441380 361008598 /nfs/dbraw/zinc/00/85/98/361008598.db2.gz WLRNZLWTFYPUSZ-HCYCVZQXSA-N -1 0 303.358 2.422 50 0 DEAARM CS(=O)(=O)[N-]c1nnc(CSc2ccccc2)s1 ZINC000006702580 181374498 /nfs/dbraw/zinc/37/44/98/181374498.db2.gz FPTKQPHIODGAJK-UHFFFAOYSA-N -1 0 301.418 2.202 50 0 DEAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2nc(C)nc(C)c2C)C1 ZINC000091487111 193063253 /nfs/dbraw/zinc/06/32/53/193063253.db2.gz DBYJSNVFMHEQLD-KRWDZBQOSA-N -1 0 321.421 2.500 50 0 DEAARM Cc1ccccc1[C@@H]1CN(C(=O)Cc2cccnc2)C[C@H]1C(=O)[O-] ZINC000091649802 193085267 /nfs/dbraw/zinc/08/52/67/193085267.db2.gz NEVDBLHNMZYBGS-DLBZAZTESA-N -1 0 324.380 2.259 50 0 DEAARM COc1cccc([C@@H]2CN(C(=O)C3CCC3)C[C@H]2C(=O)[O-])c1 ZINC000091747072 193101653 /nfs/dbraw/zinc/10/16/53/193101653.db2.gz GUHUJAGYWVUCNS-LSDHHAIUSA-N -1 0 303.358 2.122 50 0 DEAARM CCN(CC)C(=O)N1CCC[C@](CCCOC)(C(=O)[O-])C1 ZINC000091915467 193125821 /nfs/dbraw/zinc/12/58/21/193125821.db2.gz HTEIYDGBCBGNOW-OAHLLOKOSA-N -1 0 300.399 2.042 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(C2CCOCC2)cc1 ZINC000630175824 367516410 /nfs/dbraw/zinc/51/64/10/367516410.db2.gz VSIUSQLCXHBADL-HNNXBMFYSA-N -1 0 303.358 2.270 50 0 DEAARM O=C([O-])[C@H](CC(F)(F)F)NC(=O)Cc1c[nH]c2ccccc12 ZINC000262534340 203321075 /nfs/dbraw/zinc/32/10/75/203321075.db2.gz QCJNYDQFVXTKMM-NSHDSACASA-N -1 0 314.263 2.232 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)no1 ZINC000263126046 304152460 /nfs/dbraw/zinc/15/24/60/304152460.db2.gz LALQCHJXAWUNGO-AWEZNQCLSA-N -1 0 312.325 2.204 50 0 DEAARM C[C@@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CC[C@H]1C(=O)[O-] ZINC000263147769 203441032 /nfs/dbraw/zinc/44/10/32/203441032.db2.gz YXIJZZIJFXUGAV-NXEZZACHSA-N -1 0 304.321 2.490 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]c2cccc(C)c2C(N)=O)c(C)o1 ZINC000095988603 193479668 /nfs/dbraw/zinc/47/96/68/193479668.db2.gz UBEBHJMVCFVHEV-UHFFFAOYSA-N -1 0 308.359 2.105 50 0 DEAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1cc2c(s1)CCOC2 ZINC000263111879 304158437 /nfs/dbraw/zinc/15/84/37/304158437.db2.gz WMJMOSJRQIHGOG-PXWWUCIGSA-N -1 0 321.398 2.146 50 0 DEAARM Cc1c(C(=O)N[C@H](C)CC(=O)[O-])cnn1-c1ccccc1C ZINC000097228674 193694447 /nfs/dbraw/zinc/69/44/47/193694447.db2.gz QCWGOMMKFQOUSG-LLVKDONJSA-N -1 0 301.346 2.082 50 0 DEAARM CC[C@@H](C(=O)Nc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1 ZINC000018219975 182099636 /nfs/dbraw/zinc/09/96/36/182099636.db2.gz YJMSETZYSUOTAF-GFCCVEGCSA-N -1 0 311.345 2.271 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnc2ccc(F)cc2c1 ZINC000263430219 304179332 /nfs/dbraw/zinc/17/93/32/304179332.db2.gz NERQMHOPVYSOPF-CQSZACIVSA-N -1 0 302.305 2.453 50 0 DEAARM CC(C)C[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000020302033 182204688 /nfs/dbraw/zinc/20/46/88/182204688.db2.gz KJQWUNLTCVDQQZ-NSHDSACASA-N -1 0 305.783 2.118 50 0 DEAARM CC(C)[C@H](NC(=O)CCn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000036366052 182819810 /nfs/dbraw/zinc/81/98/10/182819810.db2.gz NMZHIEYAEMPTNU-HNNXBMFYSA-N -1 0 306.337 2.396 50 0 DEAARM COc1cccc2c1ccn2CC(=O)NCCCCCC(=O)[O-] ZINC000040309371 183053709 /nfs/dbraw/zinc/05/37/09/183053709.db2.gz GUUBBPLDHGIXRD-UHFFFAOYSA-N -1 0 318.373 2.411 50 0 biogenic DEAARM CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000041543258 183201231 /nfs/dbraw/zinc/20/12/31/183201231.db2.gz JTKXSMYUOIQMPX-UHFFFAOYSA-N -1 0 309.337 2.306 50 0 DEAARM CC(=O)Nc1cc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])ccc1F ZINC000042734014 183303070 /nfs/dbraw/zinc/30/30/70/183303070.db2.gz YMHMOQNRUPIYAQ-RYUDHWBXSA-N -1 0 320.320 2.390 50 0 DEAARM CCc1ccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[n-]2)cc1 ZINC000057523581 184041021 /nfs/dbraw/zinc/04/10/21/184041021.db2.gz YQAQDCUWTRKIOS-OAHLLOKOSA-N -1 0 322.372 2.122 50 0 DEAARM COc1cc(C)c(S(=O)(=O)[N-]c2cc(C)nn2C)cc1C ZINC000058304552 184103045 /nfs/dbraw/zinc/10/30/45/184103045.db2.gz YLYFJEGRZAVBIO-UHFFFAOYSA-N -1 0 309.391 2.155 50 0 DEAARM CC1(C)[C@H](C(=O)NCCc2c[nH]c3ccccc23)[C@@H]1C(=O)[O-] ZINC000062001812 184200287 /nfs/dbraw/zinc/20/02/87/184200287.db2.gz LNZHJJDGUYRQQP-UONOGXRCSA-N -1 0 300.358 2.183 50 0 biogenic DEAARM CCc1nnc2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cn21 ZINC000065199191 184314419 /nfs/dbraw/zinc/31/44/19/184314419.db2.gz UWEBALGUIXKNBC-UHFFFAOYSA-N -1 0 320.349 2.232 50 0 DEAARM C[C@H](OCC(F)(F)F)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237561862 299555284 /nfs/dbraw/zinc/55/52/84/299555284.db2.gz YRFAAUXYPMSRDD-NAKRPEOUSA-N -1 0 323.311 2.198 50 0 DEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cc(OC)ccc1OC ZINC000006658141 285160122 /nfs/dbraw/zinc/16/01/22/285160122.db2.gz FUNLJWYYZRTVLO-IAQYHMDHSA-N -1 0 307.346 2.088 50 0 DEAARM O=C([O-])c1ccccc1-c1ccc(N2CCSCC2)nn1 ZINC000216132494 304266883 /nfs/dbraw/zinc/26/68/83/304266883.db2.gz QNMXODKTGZNBQZ-UHFFFAOYSA-N -1 0 301.371 2.395 50 0 DEAARM COc1ccccc1CC1CCN(C(=O)C2(C(=O)[O-])CC2)CC1 ZINC000154851790 196998730 /nfs/dbraw/zinc/99/87/30/196998730.db2.gz HECMPLSWFGVXRC-UHFFFAOYSA-N -1 0 317.385 2.341 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2cc(Cl)ccc2C)no1 ZINC000095994143 256550238 /nfs/dbraw/zinc/55/02/38/256550238.db2.gz PEQWTSWOJXVIKH-UHFFFAOYSA-N -1 0 301.755 2.395 50 0 DEAARM O=C([O-])c1cccc(N2CCN(Cc3cccc(F)c3)CC2)n1 ZINC000095378018 257271924 /nfs/dbraw/zinc/27/19/24/257271924.db2.gz QGGJCLJUELGKBI-UHFFFAOYSA-N -1 0 315.348 2.241 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000252485823 257258451 /nfs/dbraw/zinc/25/84/51/257258451.db2.gz ATVGIRGKQLBYCX-RMIALFOJSA-N -1 0 315.373 2.487 50 0 DEAARM Cc1ccc(Br)cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000087742017 257261048 /nfs/dbraw/zinc/26/10/48/257261048.db2.gz QNXNGYGGALVBLH-SECBINFHSA-N -1 0 312.163 2.304 50 0 DEAARM O=C([O-])[C@H](CNC(=O)[C@@H]1CCc2cc(F)ccc21)CC1CC1 ZINC000563448980 292058119 /nfs/dbraw/zinc/05/81/19/292058119.db2.gz DJAYSYFJCUTAKO-SWLSCSKDSA-N -1 0 305.349 2.473 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CCC[C@H]2CC(=O)[O-])n1 ZINC000262925114 145311239 /nfs/dbraw/zinc/31/12/39/145311239.db2.gz KURZOQQRHNTKDH-NSHDSACASA-N -1 0 323.393 2.156 50 0 DEAARM CCO[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-])c1ccccc1 ZINC000263188783 145334158 /nfs/dbraw/zinc/33/41/58/145334158.db2.gz IGNJFTATEIXNSV-VGWMRTNUSA-N -1 0 317.385 2.476 50 0 DEAARM Cc1ccc(OCCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000003075269 401721430 /nfs/dbraw/zinc/72/14/30/401721430.db2.gz UTGNOVQBXRWDFM-CABCVRRESA-N -1 0 303.358 2.157 50 0 DEAARM Cc1sc2ncnc(-n3[n-]c(=O)c4ccccc4c3=O)c2c1C ZINC000003141833 401722058 /nfs/dbraw/zinc/72/20/58/401722058.db2.gz WFGRUHHZTHHQKE-UHFFFAOYSA-N -1 0 324.365 2.301 50 0 DEAARM CSCC[C@@H](C)NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000073827481 401723020 /nfs/dbraw/zinc/72/30/20/401723020.db2.gz YPGRLOWSQUKVRQ-GFCCVEGCSA-N -1 0 319.430 2.345 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](CSc1ccccc1N)C(=O)[O-] ZINC000006363864 401731849 /nfs/dbraw/zinc/73/18/49/401731849.db2.gz YBVFEWAJVVFSOW-JTQLQIEISA-N -1 0 312.391 2.339 50 0 DEAARM CCOC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000031439 401687344 /nfs/dbraw/zinc/68/73/44/401687344.db2.gz ZQZLCDQFTKBVQQ-NWDGAFQWSA-N -1 0 317.341 2.469 50 0 DEAARM Cc1cccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])c1C ZINC000000195767 401690128 /nfs/dbraw/zinc/69/01/28/401690128.db2.gz KWXQPEAEKIMVBD-OAHLLOKOSA-N -1 0 316.357 2.468 50 0 DEAARM Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CCC(=O)[O-] ZINC000000205162 401690611 /nfs/dbraw/zinc/69/06/11/401690611.db2.gz WGPIWBGIJMNWCF-UHFFFAOYSA-N -1 0 301.346 2.352 50 0 DEAARM CSCC[C@H](NC(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000002098718 401712327 /nfs/dbraw/zinc/71/23/27/401712327.db2.gz HYOMPMWOJFOEAJ-ZDUSSCGKSA-N -1 0 310.419 2.125 50 0 biogenic DEAARM CC(=O)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002382536 401713600 /nfs/dbraw/zinc/71/36/00/401713600.db2.gz YVBRFBNRDRVUAF-ZDUSSCGKSA-N -1 0 307.346 2.410 50 0 DEAARM CCOc1cc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1OC ZINC000013171018 401797724 /nfs/dbraw/zinc/79/77/24/401797724.db2.gz LOTVLMJZLAZABN-GFCCVEGCSA-N -1 0 307.346 2.031 50 0 DEAARM O=C([O-])Cc1ccc(OCC(=O)NCC2CCCCC2)cc1 ZINC000013420743 401800152 /nfs/dbraw/zinc/80/01/52/401800152.db2.gz PUQJYQVZWRADNV-UHFFFAOYSA-N -1 0 305.374 2.389 50 0 DEAARM CCc1c(C)c2cc(Cl)c(OCc3nnn[n-]3)cc2oc1=O ZINC000013541501 401800562 /nfs/dbraw/zinc/80/05/62/401800562.db2.gz OLMWRTKKROHXBV-UHFFFAOYSA-N -1 0 320.736 2.409 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)cc1F)C(=O)[O-] ZINC000008699145 401755317 /nfs/dbraw/zinc/75/53/17/401755317.db2.gz JNELGIOSRKVOJY-NSHDSACASA-N -1 0 301.289 2.485 50 0 DEAARM CC(C)[C@H]1C(=O)Nc2ccccc2N1C(=O)NCCC(=O)[O-] ZINC000008766921 401756272 /nfs/dbraw/zinc/75/62/72/401756272.db2.gz VGXUSOFJIGWBMO-ZDUSSCGKSA-N -1 0 305.334 2.304 50 0 DEAARM COc1cccc(/C(C)=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000128547734 401782138 /nfs/dbraw/zinc/78/21/38/401782138.db2.gz VUSQAFLKSJUHOM-TZIYXEQSSA-N -1 0 303.358 2.422 50 0 DEAARM COC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000012850876 401792889 /nfs/dbraw/zinc/79/28/89/401792889.db2.gz YYQBHCDPOPVSIZ-OLZOCXBDSA-N -1 0 317.341 2.387 50 0 DEAARM Cc1ccc(N2CCN(C(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)CC2)cc1 ZINC000034926357 401894632 /nfs/dbraw/zinc/89/46/32/401894632.db2.gz HCMIPXKMTIFCNX-CABCVRRESA-N -1 0 316.401 2.000 50 0 DEAARM COc1ccc(C(=O)c2ccc(N3CCOCC3)cc2[O-])cc1 ZINC000035287373 401898461 /nfs/dbraw/zinc/89/84/61/401898461.db2.gz ZBDQIMDKIHLJFD-UHFFFAOYSA-N -1 0 313.353 2.468 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@H](Oc2ncccc2C(=O)[O-])C1 ZINC000086003103 401920543 /nfs/dbraw/zinc/92/05/43/401920543.db2.gz ZVZNJJHZMXHXCB-JTQLQIEISA-N -1 0 308.334 2.168 50 0 DEAARM CC[C@](C)(NC(=O)Cn1c2ccccc2nc1C1CC1)C(=O)[O-] ZINC000089941978 401976424 /nfs/dbraw/zinc/97/64/24/401976424.db2.gz WGTWAMLSMQSVHB-KRWDZBQOSA-N -1 0 315.373 2.283 50 0 DEAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3)cn12 ZINC000049408614 402016650 /nfs/dbraw/zinc/01/66/50/402016650.db2.gz GUWKHASZUBDGAX-UHFFFAOYSA-N -1 0 322.777 2.492 50 0 DEAARM CC(=O)c1cccc([C@@H](C(=O)[O-])N(C)Cc2nccn2C)c1F ZINC000095379412 402030635 /nfs/dbraw/zinc/03/06/35/402030635.db2.gz NMAJJVHQUFFAGK-HNNXBMFYSA-N -1 0 319.336 2.020 50 0 DEAARM COc1ccc(C(=O)[N-]S(C)(=O)=O)cc1-c1ccccc1 ZINC000051896809 402037066 /nfs/dbraw/zinc/03/70/66/402037066.db2.gz BOSBJRCZYXNYFX-UHFFFAOYSA-N -1 0 305.355 2.052 50 0 DEAARM COC[C@@](C)(NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000095989786 402043298 /nfs/dbraw/zinc/04/32/98/402043298.db2.gz SNVOYQBHDKZMBR-GFCCVEGCSA-N -1 0 306.145 2.213 50 0 DEAARM Cc1[nH]ncc1[N-]S(=O)(=O)c1cc(Cl)cc2c1OCC2 ZINC000096009598 402046853 /nfs/dbraw/zinc/04/68/53/402046853.db2.gz LEMRABCTJZOKQP-UHFFFAOYSA-N -1 0 313.766 2.107 50 0 DEAARM CCOc1ncccc1C(=O)N1CCC[C@](CC)(C(=O)[O-])C1 ZINC000092022757 402000080 /nfs/dbraw/zinc/00/00/80/402000080.db2.gz WMVBZFMFTNMBIH-INIZCTEOSA-N -1 0 306.362 2.197 50 0 DEAARM COc1cc(CCC(=O)NCC2(CC(=O)[O-])CCCCC2)on1 ZINC000096232747 402073284 /nfs/dbraw/zinc/07/32/84/402073284.db2.gz PAYNOXKWEQAOAQ-UHFFFAOYSA-N -1 0 324.377 2.157 50 0 DEAARM CCn1nc(C)c(CNC(=O)c2ccc(C(=O)[O-])cc2)c1C ZINC000096479779 402093792 /nfs/dbraw/zinc/09/37/92/402093792.db2.gz VHORSODCFPAFMH-UHFFFAOYSA-N -1 0 301.346 2.148 50 0 DEAARM C[C@]1(C(=O)[O-])Oc2ccccc2N(CCc2ccccc2)C1=O ZINC000096517664 402098415 /nfs/dbraw/zinc/09/84/15/402098415.db2.gz XDQAXJAKBSPICE-SFHVURJKSA-N -1 0 311.337 2.498 50 0 DEAARM Cc1cc(F)c(S(=O)(=O)[N-]c2ccc3nncn3c2)cc1F ZINC000097048817 402102825 /nfs/dbraw/zinc/10/28/25/402102825.db2.gz WYMRIDIWNUIHKM-UHFFFAOYSA-N -1 0 324.312 2.117 50 0 DEAARM COc1cccc(OC2CN(c3cccc(C(=O)[O-])n3)C2)c1 ZINC000096163612 402064013 /nfs/dbraw/zinc/06/40/13/402064013.db2.gz HABMDBYWOQXVAJ-UHFFFAOYSA-N -1 0 300.314 2.056 50 0 DEAARM CCOC(=O)c1c([O-])c2cccnc2n(-c2ccccc2)c1=O ZINC000100227080 402140374 /nfs/dbraw/zinc/14/03/74/402140374.db2.gz JMWQFEZRVGPQGA-UHFFFAOYSA-N -1 0 310.309 2.268 50 0 DEAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c1 ZINC000101277687 402144334 /nfs/dbraw/zinc/14/43/34/402144334.db2.gz HZCDZYSJORTYCS-GJZGRUSLSA-N -1 0 322.324 2.193 50 0 DEAARM CC[C@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662764 402142169 /nfs/dbraw/zinc/14/21/69/402142169.db2.gz BHDBPJHBGXHANO-JTQLQIEISA-N -1 0 300.358 2.182 50 0 biogenic DEAARM CC[C@H](NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(C)C ZINC000101789068 402155573 /nfs/dbraw/zinc/15/55/73/402155573.db2.gz SQQAPHFWGNDZPE-LBPRGKRZSA-N -1 0 319.430 2.387 50 0 DEAARM CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc2n[nH]nc2c1 ZINC000106810888 402216418 /nfs/dbraw/zinc/21/64/18/402216418.db2.gz YPWIHQQGURKMRI-ZDUSSCGKSA-N -1 0 302.378 2.379 50 0 DEAARM Cc1ccsc1-c1cccc(NC(=O)c2nc(=O)[nH][n-]2)c1 ZINC000069631198 402235985 /nfs/dbraw/zinc/23/59/85/402235985.db2.gz GLCGCHAMMSKTKS-UHFFFAOYSA-N -1 0 300.343 2.387 50 0 DEAARM O=C(Nc1cccc(-c2nc(=O)o[n-]2)c1)c1c[nH]c2ncccc12 ZINC000069812773 402245416 /nfs/dbraw/zinc/24/54/16/402245416.db2.gz CCBATAQPLVANRV-UHFFFAOYSA-N -1 0 321.296 2.159 50 0 DEAARM Cc1ccc(NC(=O)N[C@H](C(=O)[O-])[C@H]2CCOC2)cc1Cl ZINC000225708123 402322040 /nfs/dbraw/zinc/32/20/40/402322040.db2.gz ZWNMVAIMFZTRQS-CABZTGNLSA-N -1 0 312.753 2.260 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc3c2CCCC3)c[nH]1 ZINC000071800735 402279122 /nfs/dbraw/zinc/27/91/22/402279122.db2.gz NGJHAAJVLDYWSN-UHFFFAOYSA-N -1 0 320.370 2.393 50 0 DEAARM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000071823996 402282498 /nfs/dbraw/zinc/28/24/98/402282498.db2.gz DVIMJFDNOIDPDD-HOCLYGCPSA-N -1 0 314.389 2.116 50 0 DEAARM Cc1cc(C)nc(CCNC(=O)c2ccc(Cl)cc2O)n1 ZINC000215941816 402285864 /nfs/dbraw/zinc/28/58/64/402285864.db2.gz WLHRPJIIRHPXMJ-UHFFFAOYSA-N -1 0 305.765 2.425 50 0 DEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)c1c(Cl)nc2ccccn21 ZINC000225479668 402319307 /nfs/dbraw/zinc/31/93/07/402319307.db2.gz OQJWRHVNONNEHG-VIFPVBQESA-N -1 0 309.753 2.313 50 0 DEAARM CC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000161939625 402404614 /nfs/dbraw/zinc/40/46/14/402404614.db2.gz GLXZOYDAWDYSGB-UHFFFAOYSA-N -1 0 300.124 2.026 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000237649437 402416615 /nfs/dbraw/zinc/41/66/15/402416615.db2.gz BEBNZIFCWOUWFB-CZUORRHYSA-N -1 0 305.399 2.340 50 0 DEAARM Cc1cccc(C2(C(=O)N3CCO[C@@H](C(=O)[O-])C3)CCCC2)c1 ZINC000237925043 402426148 /nfs/dbraw/zinc/42/61/48/402426148.db2.gz HDNBNLOBFHZMES-OAHLLOKOSA-N -1 0 317.385 2.119 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccn(-c3cccc(Cl)c3)n2)C1 ZINC000238102385 402438012 /nfs/dbraw/zinc/43/80/12/402438012.db2.gz ZCSGXNHRRWAATD-JTQLQIEISA-N -1 0 319.748 2.072 50 0 DEAARM COCCN(CC(=O)[O-])Cc1cnc(C2CCCCC2)nc1 ZINC000244899995 402451701 /nfs/dbraw/zinc/45/17/01/402451701.db2.gz ZTZTYBOFEOSAQP-UHFFFAOYSA-N -1 0 307.394 2.057 50 0 DEAARM C[C@@H]1CCC[C@H](NS(=O)(=O)c2cccc(C(=O)[O-])c2)[C@H]1C ZINC000239359535 402441449 /nfs/dbraw/zinc/44/14/49/402441449.db2.gz AEOULEMWISPJTA-SUNKGSAMSA-N -1 0 311.403 2.488 50 0 DEAARM O=C([O-])C1(NC(=O)c2cc(F)ccc2Br)CCC1 ZINC000164856545 402469543 /nfs/dbraw/zinc/46/95/43/402469543.db2.gz LKLWCUSJKWORHE-UHFFFAOYSA-N -1 0 316.126 2.325 50 0 DEAARM O=C([O-])c1cc(Nc2ccnc(N3CCCC3)n2)ccc1O ZINC000170621822 402508609 /nfs/dbraw/zinc/50/86/09/402508609.db2.gz DUYVSTWEPHQXED-UHFFFAOYSA-N -1 0 300.318 2.224 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)CCc1cc(Cl)no1 ZINC000252500012 402656472 /nfs/dbraw/zinc/65/64/72/402656472.db2.gz SLWVQWKZDBDDFQ-GFCCVEGCSA-N -1 0 322.748 2.073 50 0 DEAARM COc1cc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)ccc1F ZINC000263235575 402748648 /nfs/dbraw/zinc/74/86/48/402748648.db2.gz DJVPAJDLWANPMI-LLVKDONJSA-N -1 0 307.321 2.161 50 0 DEAARM CCO[C@H]1C[C@@](NC(=O)c2ccc(C)s2)(C(=O)[O-])C1(C)C ZINC000193052964 402762427 /nfs/dbraw/zinc/76/24/27/402762427.db2.gz RLZFQXDDEQOWMN-XHDPSFHLSA-N -1 0 311.403 2.445 50 0 DEAARM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]1O ZINC000263440164 402769393 /nfs/dbraw/zinc/76/93/93/402769393.db2.gz PNZYGNOMNGVDRA-ZIAGYGMSSA-N -1 0 305.374 2.254 50 0 DEAARM CN(CCC(=O)[O-])C(=O)CCc1ccc(Br)cc1 ZINC000195542631 402850920 /nfs/dbraw/zinc/85/09/20/402850920.db2.gz WYPPNERYCVWLRC-UHFFFAOYSA-N -1 0 314.179 2.315 50 0 DEAARM Cc1oc2c(c1C(=O)N1CCCC[C@H]1C(=O)[O-])C(=O)CCC2 ZINC000299761897 403568161 /nfs/dbraw/zinc/56/81/61/403568161.db2.gz ZSZXAPIGPOMCAL-JTQLQIEISA-N -1 0 305.330 2.186 50 0 DEAARM CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@H]2c2n[nH]c(=O)[n-]2)CCO1 ZINC000329154683 404245778 /nfs/dbraw/zinc/24/57/78/404245778.db2.gz CCFCLAAQIPYKGQ-UPJWGTAASA-N -1 0 322.409 2.159 50 0 DEAARM CCC[C@@H]1C[C@@H](C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)CCO1 ZINC000329154685 404247206 /nfs/dbraw/zinc/24/72/06/404247206.db2.gz CCFCLAAQIPYKGQ-YNEHKIRRSA-N -1 0 322.409 2.159 50 0 DEAARM CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NC1(C(=O)[O-])CC1 ZINC000426465096 405361510 /nfs/dbraw/zinc/36/15/10/405361510.db2.gz DIYPCMQNVDMYTC-UHFFFAOYSA-N -1 0 316.279 2.464 50 0 DEAARM CCc1nnc([N-]S(=O)(=O)c2ccc(OC(C)C)cc2)o1 ZINC000451073633 406040069 /nfs/dbraw/zinc/04/00/69/406040069.db2.gz KYHZNOCTYSTQOF-UHFFFAOYSA-N -1 0 311.363 2.220 50 0 DEAARM Cn1c(=O)cccc1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000129697465 196068562 /nfs/dbraw/zinc/06/85/62/196068562.db2.gz BLCKYCWNTFNMFY-UHFFFAOYSA-N -1 0 301.327 2.068 50 0 DEAARM CCCc1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)[nH]c(C)c1C(C)=O ZINC000136138769 196522219 /nfs/dbraw/zinc/52/22/19/196522219.db2.gz FBCDHIKGKLRGTQ-LBPRGKRZSA-N -1 0 320.389 2.415 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)COCc2ccccc2)c2ccccc21 ZINC000177478378 224845208 /nfs/dbraw/zinc/84/52/08/224845208.db2.gz NFWLZXHJJOODMQ-HNNXBMFYSA-N -1 0 311.337 2.418 50 0 DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cn2)cc1 ZINC000000030281 418413235 /nfs/dbraw/zinc/41/32/35/418413235.db2.gz IAQYGMWZCSFCLK-UHFFFAOYSA-N -1 0 305.359 2.149 50 0 DEAARM Cc1cnc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)s1 ZINC000060934590 418484428 /nfs/dbraw/zinc/48/44/28/418484428.db2.gz HUTRLBVVRILHSD-UHFFFAOYSA-N -1 0 323.399 2.137 50 0 DEAARM Cc1[nH]c2ccc(C(=O)N[C@@]3(C(=O)[O-])CCSC3)cc2c1C ZINC000299744256 229384948 /nfs/dbraw/zinc/38/49/48/229384948.db2.gz RLEVBJKCGFGJHB-INIZCTEOSA-N -1 0 318.398 2.475 50 0 DEAARM O=C(c1cnn(-c2ncccn2)c1)c1cc(Cl)ccc1[O-] ZINC000048302800 424831786 /nfs/dbraw/zinc/83/17/86/424831786.db2.gz DTEKHWPTGPAVNR-UHFFFAOYSA-N -1 0 300.705 2.252 50 0 DEAARM COCCn1ccc(NC(=O)c2ccc3[n-]c(=S)oc3c2)n1 ZINC000118884472 424852591 /nfs/dbraw/zinc/85/25/91/424852591.db2.gz MHISIULTXMTZBY-UHFFFAOYSA-N -1 0 318.358 2.212 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2cnn3cccc(Cl)c23)CC1 ZINC000659130590 425531267 /nfs/dbraw/zinc/53/12/67/425531267.db2.gz LBROWUTWBLKNAX-UHFFFAOYSA-N -1 0 321.764 2.361 50 0 DEAARM Cc1ccc(C(=O)N2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)c(Cl)c1 ZINC000334027291 269008296 /nfs/dbraw/zinc/00/82/96/269008296.db2.gz IAIPHQSUBJRHON-SNVBAGLBSA-N -1 0 320.780 2.492 50 0 DEAARM CC(C)(C)n1nc(C(=O)N[C@H]2CC[C@H](C(=O)[O-])C2)cc1C1CC1 ZINC000095991974 278585233 /nfs/dbraw/zinc/58/52/33/278585233.db2.gz LVQGYHSYIXTXBM-RYUDHWBXSA-N -1 0 319.405 2.499 50 0 DEAARM C[C@@H]1CCc2c(sc3c2c(=O)n(C)c2n[n-]c(=S)n32)C1 ZINC000005912304 278619826 /nfs/dbraw/zinc/61/98/26/278619826.db2.gz OOXBWMWBLYNHSA-ZCFIWIBFSA-N -1 0 306.416 2.430 50 0 DEAARM CC(C)C[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000262207816 279052870 /nfs/dbraw/zinc/05/28/70/279052870.db2.gz SXTBSZMIVPZUGO-QWHCGFSZSA-N -1 0 306.362 2.103 50 0 DEAARM CO[C@]1(C)C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])nc2)C1(C)C ZINC000237266556 294842658 /nfs/dbraw/zinc/84/26/58/294842658.db2.gz FSIYLKJHNLWRTC-MLGOLLRUSA-N -1 0 306.362 2.055 50 0 DEAARM COc1cc(OC)c(CN(C)Cc2nc(C)c[nH]2)c(C(=O)[O-])c1 ZINC000097610068 295006054 /nfs/dbraw/zinc/00/60/54/295006054.db2.gz IWGBPNQZUVPXRU-UHFFFAOYSA-N -1 0 319.361 2.066 50 0 DEAARM COc1cccc(-n2c(COCC(=O)[O-])nc3ccccc32)n1 ZINC000067881786 295280931 /nfs/dbraw/zinc/28/09/31/295280931.db2.gz FGLGADBWLFMGOW-UHFFFAOYSA-N -1 0 313.313 2.030 50 0 DEAARM C[C@@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CCO1 ZINC000262604273 297206381 /nfs/dbraw/zinc/20/63/81/297206381.db2.gz AEDRZNHNKAHUIC-ZLDLUXBVSA-N -1 0 303.358 2.012 50 0 DEAARM Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)ccc1Cl ZINC000004556358 301343835 /nfs/dbraw/zinc/34/38/35/301343835.db2.gz HAQHXXYVHFLMIV-OQMKEHIESA-N -1 0 319.744 2.019 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c(C)cc1Cl ZINC000000265771 301383530 /nfs/dbraw/zinc/38/35/30/301383530.db2.gz YNUNTLUMSYLXOL-LLVKDONJSA-N -1 0 317.794 2.195 50 0 DEAARM Cc1ccccc1[C@@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263563900 302145778 /nfs/dbraw/zinc/14/57/78/302145778.db2.gz DQIGDSHYSNGZAS-QGZVFWFLSA-N -1 0 324.380 2.366 50 0 DEAARM [NH3+][C@H](CCCCC[P@@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000002139903 303480057 /nfs/dbraw/zinc/48/00/57/303480057.db2.gz HXFOQPAMWAWQNR-CQSZACIVSA-N -1 0 313.334 2.472 50 0 biogenic DEAARM Cc1nc(C(F)(F)F)ncc1C[NH+]1CCC(C(=O)[O-])CC1 ZINC000534637827 334309818 /nfs/dbraw/zinc/30/98/18/334309818.db2.gz NXQRYLPNPNZNFF-UHFFFAOYSA-N -1 0 303.284 2.100 50 0 DEAARM CCn1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])cn1 ZINC000097228683 337382262 /nfs/dbraw/zinc/38/22/62/337382262.db2.gz JAZIFBZKSGOOGU-RISCZKNCSA-N -1 0 301.346 2.095 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1ccccc1F ZINC000005277939 534527398 /nfs/dbraw/zinc/52/73/98/534527398.db2.gz LXYKJHBCBCIJAN-HNNXBMFYSA-N -1 0 316.332 2.321 50 0 DEAARM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299746977 528136433 /nfs/dbraw/zinc/13/64/33/528136433.db2.gz BRDGMNGNRFVVSM-XHSDSOJGSA-N -1 0 317.385 2.226 50 0 DEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000328589231 529345442 /nfs/dbraw/zinc/34/54/42/529345442.db2.gz MJCZTMQSQXZCTB-OKPNEXGHSA-N -1 0 305.330 2.140 50 0 DEAARM CC[C@](C)(CC(=O)[O-])NC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000299751521 529355201 /nfs/dbraw/zinc/35/52/01/529355201.db2.gz QUMCGYUINXBOBK-OAHLLOKOSA-N -1 0 322.386 2.104 50 0 DEAARM CC(Nc1cccc2ccccc21)=C1C(=O)[N-]C(=O)N(C)C1=O ZINC000001225827 683829972 /nfs/dbraw/zinc/82/99/72/683829972.db2.gz WZUNPVLUFAJFBJ-UVTDQMKNSA-N -1 0 309.325 2.234 50 0 DEAARM Cc1nc2c(nc(C)nc2N[C@@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000000463389 683830201 /nfs/dbraw/zinc/83/02/01/683830201.db2.gz PCUHOAWNMCITHZ-LBPRGKRZSA-N -1 0 312.329 2.342 50 0 DEAARM CCN(Cc1noc(C)n1)[C@H](C(=O)[O-])c1cc(F)ccc1OC ZINC000063869514 683922972 /nfs/dbraw/zinc/92/29/72/683922972.db2.gz YLWQVBDQTOCUAT-AWEZNQCLSA-N -1 0 323.324 2.174 50 0 DEAARM O=C([O-])[C@H](c1cnn(Cc2ccccc2)c1)N1CCSCC1 ZINC000095356395 684052855 /nfs/dbraw/zinc/05/28/55/684052855.db2.gz UJXFQEPWEKPRGQ-HNNXBMFYSA-N -1 0 317.414 2.106 50 0 DEAARM O=C([O-])CNC(=O)NCC[C@@H](c1ccco1)c1ccccc1 ZINC000828018581 783723562 /nfs/dbraw/zinc/72/35/62/783723562.db2.gz ZDWAPJWTKDSNAC-CYBMUJFWSA-N -1 0 302.330 2.185 50 0 DEAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccnc(N2CCCC[C@H]2C)c1 ZINC000584908130 789633854 /nfs/dbraw/zinc/63/38/54/789633854.db2.gz ZJRDVJJNORVFQM-VXGBXAGGSA-N -1 0 305.378 2.006 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCCCO2)cc(C(=O)[O-])c1Cl ZINC000585122090 789707113 /nfs/dbraw/zinc/70/71/13/789707113.db2.gz NBWPEZIANYCPBW-UHFFFAOYSA-N -1 0 319.766 2.063 50 0 DEAARM CCC(CC)(CNC(=O)c1cccc2c1COCC2)C(=O)[O-] ZINC000952852396 792779321 /nfs/dbraw/zinc/77/93/21/792779321.db2.gz IZBZFNLWVGKERL-UHFFFAOYSA-N -1 0 305.374 2.380 50 0 DEAARM CCNC(=O)c1cc(NC(=O)CCCC(=O)[O-])ccc1Cl ZINC000952972585 792832722 /nfs/dbraw/zinc/83/27/22/792832722.db2.gz DKJOPNNUSKCGNS-UHFFFAOYSA-N -1 0 312.753 2.283 50 0 DEAARM O=C([O-])C1([C@]2(O)CCCN(C(=O)OC3CCCC3)C2)CCC1 ZINC000952993811 792855477 /nfs/dbraw/zinc/85/54/77/792855477.db2.gz RMQAAGFNJLNECK-INIZCTEOSA-N -1 0 311.378 2.147 50 0 DEAARM C[C@@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000020131228 1076066974 /nfs/dbraw/zinc/06/69/74/1076066974.db2.gz ICJJOYMQPVKAGW-LBPRGKRZSA-N -1 0 305.355 2.355 50 0 DEAARM CC(C)(C)OC(=O)N1CCCN(c2ncccc2C(=O)[O-])CC1 ZINC000006743969 190624231 /nfs/dbraw/zinc/62/42/31/190624231.db2.gz VNNVAWDHPDFXLR-UHFFFAOYSA-N -1 0 321.377 2.227 50 0 DEAARM CSc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000095424099 185361359 /nfs/dbraw/zinc/36/13/59/185361359.db2.gz CFUHWUBLKJTOGF-NWDGAFQWSA-N -1 0 323.414 2.499 50 0 DEAARM CC[C@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000095424089 185361370 /nfs/dbraw/zinc/36/13/70/185361370.db2.gz XMHFCKWMRYBCPP-YPMHNXCESA-N -1 0 309.337 2.306 50 0 DEAARM O=C([O-])C1CCC(NC(=O)C2=Cc3ccccc3OC2)CC1 ZINC000095425225 185361562 /nfs/dbraw/zinc/36/15/62/185361562.db2.gz OIHJKRJZRZMDQN-UHFFFAOYSA-N -1 0 301.342 2.222 50 0 DEAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cnccc1C ZINC000095452251 185369104 /nfs/dbraw/zinc/36/91/04/185369104.db2.gz PXATVNMKOOHSBW-UHFFFAOYSA-N -1 0 308.407 2.049 50 0 DEAARM Cn1c(SCCC(=O)[O-])nc2sc3c(c2c1=O)CCC3 ZINC000016623418 190642232 /nfs/dbraw/zinc/64/22/32/190642232.db2.gz VVHUJTCLRVWNGB-UHFFFAOYSA-N -1 0 310.400 2.051 50 0 DEAARM Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])[nH]n1 ZINC000097017814 185397813 /nfs/dbraw/zinc/39/78/13/185397813.db2.gz RUXQGHKVZVVPDR-NSHDSACASA-N -1 0 301.346 2.081 50 0 DEAARM O=C([O-])C[C@@H](CC(=O)NCCCn1cccn1)c1ccccc1 ZINC000226750786 201785464 /nfs/dbraw/zinc/78/54/64/201785464.db2.gz QKLNTMMSRYWBHZ-OAHLLOKOSA-N -1 0 315.373 2.038 50 0 DEAARM Cc1nc(S(=O)(=O)[N-]c2cccc(Cl)c2N(C)C)c[nH]1 ZINC000070069605 190854070 /nfs/dbraw/zinc/85/40/70/190854070.db2.gz IEDVFASOLNDGJM-UHFFFAOYSA-N -1 0 314.798 2.238 50 0 DEAARM Cc1noc(C)c1C[C@@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000170045207 539613957 /nfs/dbraw/zinc/61/39/57/539613957.db2.gz CDFNDYGKRMZARN-SNVBAGLBSA-N -1 0 316.357 2.485 50 0 DEAARM C[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1cccc(Br)c1 ZINC000147968724 186042594 /nfs/dbraw/zinc/04/25/94/186042594.db2.gz VXMYYYBZPYATJJ-BKDNQFJXSA-N -1 0 312.163 2.347 50 0 DEAARM CC(C)(C)CC[C@H](NC(=O)Cc1cn2ccccc2n1)C(=O)[O-] ZINC000262946686 539789104 /nfs/dbraw/zinc/78/91/04/539789104.db2.gz CWWQDKJPNGCKIF-ZDUSSCGKSA-N -1 0 317.389 2.273 50 0 DEAARM O=C([O-])c1nn(C2CCCC2)cc1I ZINC000072339384 191125749 /nfs/dbraw/zinc/12/57/49/191125749.db2.gz JXEQPAKHKOUHCX-UHFFFAOYSA-N -1 0 306.103 2.301 50 0 DEAARM Cc1ccoc1C(=O)NC(=S)Nc1ccc(C(=O)[O-])cc1 ZINC000002532381 180932761 /nfs/dbraw/zinc/93/27/61/180932761.db2.gz RSBWXBBYELZMHQ-UHFFFAOYSA-N -1 0 304.327 2.413 50 0 DEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000003329018 181006132 /nfs/dbraw/zinc/00/61/32/181006132.db2.gz WPJUKEUOYMBMHS-UHFFFAOYSA-N -1 0 321.354 2.283 50 0 DEAARM CC1(C)CC(=O)C(SC(=S)N2CCOCC2)=C([O-])C1 ZINC000006666761 353997529 /nfs/dbraw/zinc/99/75/29/353997529.db2.gz QUKQEOGOSNQYBD-UHFFFAOYSA-N -1 0 301.433 2.495 50 0 DEAARM O=C([O-])C1=NO[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000003883195 181052209 /nfs/dbraw/zinc/05/22/09/181052209.db2.gz XEUXXUZFASVGLQ-LURJTMIESA-N -1 0 323.658 2.395 50 0 DEAARM COc1ccccc1CC(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000004028767 181064255 /nfs/dbraw/zinc/06/42/55/181064255.db2.gz CIRIMBQWOBRWKO-UHFFFAOYSA-N -1 0 301.298 2.280 50 0 biogenic DEAARM CC(C)(C)OC(=O)N1C[C@H](Cc2ccncc2)C[C@H]1C(=O)[O-] ZINC000004222937 181086310 /nfs/dbraw/zinc/08/63/10/181086310.db2.gz VMQFAQIIPUWOGG-OLZOCXBDSA-N -1 0 306.362 2.334 50 0 DEAARM CC[C@H]1[C@H](c2ccc(C)cc2)CCN1C(=O)c1n[nH]c(=O)[n-]1 ZINC000075410088 355086051 /nfs/dbraw/zinc/08/60/51/355086051.db2.gz MDGYESZXJPSDBW-STQMWFEESA-N -1 0 300.362 2.227 50 0 DEAARM CC[C@@H](NC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)[O-] ZINC000004952522 181178846 /nfs/dbraw/zinc/17/88/46/181178846.db2.gz NCZOQPHQZJOIEL-LLVKDONJSA-N -1 0 316.313 2.125 50 0 DEAARM CCn1nc(C)cc1C(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC000391342414 540136886 /nfs/dbraw/zinc/13/68/86/540136886.db2.gz DLZFIPFHHIHKHF-CYBMUJFWSA-N -1 0 313.357 2.430 50 0 DEAARM CCOc1ncccc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000078824824 355280405 /nfs/dbraw/zinc/28/04/05/355280405.db2.gz UIJXORZMAUANJG-CQSZACIVSA-N -1 0 314.341 2.426 50 0 DEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005059127 181198724 /nfs/dbraw/zinc/19/87/24/181198724.db2.gz OGMORJZWMGMBFU-VXGBXAGGSA-N -1 0 303.314 2.063 50 0 DEAARM COc1cccc2c1ccn2CCC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000206414401 356267648 /nfs/dbraw/zinc/26/76/48/356267648.db2.gz JBZKZMZAGWHHLS-MRXNPFEDSA-N -1 0 318.373 2.265 50 0 DEAARM CC(C)[S@@](=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000236696925 356291032 /nfs/dbraw/zinc/29/10/32/356291032.db2.gz LSGQQQQKDKKOCB-KSFYIVLOSA-N -1 0 323.414 2.139 50 0 DEAARM O=C(N[C@H]1c2ccccc2C[C@@H]1O)c1c([O-])cc(F)cc1F ZINC000081702392 192315504 /nfs/dbraw/zinc/31/55/04/192315504.db2.gz NHDHPLBRNRSUNP-ZFWWWQNUSA-N -1 0 305.280 2.059 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 ZINC000237021750 202125752 /nfs/dbraw/zinc/12/57/52/202125752.db2.gz HYVDPIDZDNIINZ-UHFFFAOYSA-N -1 0 307.394 2.452 50 0 DEAARM COc1ccc(Cl)cc1/C=C/C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237252943 202206439 /nfs/dbraw/zinc/20/64/39/202206439.db2.gz ZYPMURIHOZIUDY-XGQHYKRYSA-N -1 0 309.749 2.295 50 0 DEAARM C[C@@H](CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)Cc1cccc(F)c1 ZINC000237334916 202234383 /nfs/dbraw/zinc/23/43/83/202234383.db2.gz AMKXUZJQVBWDKF-DOMZBBRYSA-N -1 0 323.364 2.097 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000237643429 202315120 /nfs/dbraw/zinc/31/51/20/202315120.db2.gz YWLUSKLBNLZNEQ-PBHICJAKSA-N -1 0 303.358 2.014 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2n[nH]c3ccccc32)C1 ZINC000238017701 202419262 /nfs/dbraw/zinc/41/92/62/202419262.db2.gz CARWAYGTCXKWRG-LLVKDONJSA-N -1 0 301.346 2.280 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)NCc1ccc(OC)c(OC)c1)C(=O)[O-] ZINC000006168475 181317096 /nfs/dbraw/zinc/31/70/96/181317096.db2.gz AIAREYYQCBHEMF-HZMBPMFUSA-N -1 0 324.377 2.002 50 0 DEAARM COc1ccccc1/C(C)=C\C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000606442062 361008121 /nfs/dbraw/zinc/00/81/21/361008121.db2.gz NXQCAVNYBQTJLI-XSLBHYSZSA-N -1 0 303.358 2.422 50 0 DEAARM COC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000006453250 181341996 /nfs/dbraw/zinc/34/19/96/181341996.db2.gz OSLGJLAFIYFZSJ-RKDXNWHRSA-N -1 0 311.359 2.364 50 0 DEAARM CCc1ncc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000675982183 541401812 /nfs/dbraw/zinc/40/18/12/541401812.db2.gz 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186284746 /nfs/dbraw/zinc/28/47/46/186284746.db2.gz JHHZAVUIARQQPS-UHFFFAOYSA-N -1 0 317.729 2.079 50 0 DEAARM CCCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccc(OC)c1OC ZINC000011767317 282795456 /nfs/dbraw/zinc/79/54/56/282795456.db2.gz TZAOTEVRHWUWBZ-SWLSCSKDSA-N -1 0 321.373 2.478 50 0 DEAARM CNc1cc(-c2cncc(SCC(=O)[O-])n2)c2cc[nH]c2n1 ZINC000072480476 191181231 /nfs/dbraw/zinc/18/12/31/191181231.db2.gz RBVFOZWYBCLIMO-UHFFFAOYSA-N -1 0 315.358 2.238 50 0 DEAARM COc1ccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c(O)c1 ZINC000315313398 539884659 /nfs/dbraw/zinc/88/46/59/539884659.db2.gz GMTHDLWXGLHXIP-UHFFFAOYSA-N -1 0 307.346 2.308 50 0 DEAARM O=C([O-])Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O ZINC000002500409 180927644 /nfs/dbraw/zinc/92/76/44/180927644.db2.gz FNDPOMZAVHHQNW-UHFFFAOYSA-N -1 0 304.302 2.349 50 0 DEAARM CC(C)CCO[C@@H]1CCN(C(=O)c2ccc(C(=O)[O-])nc2)C1 ZINC000236755953 201994166 /nfs/dbraw/zinc/99/41/66/201994166.db2.gz JIJQZFYFXKANQN-CYBMUJFWSA-N -1 0 306.362 2.057 50 0 DEAARM COc1cc2c(cc1OC)[C@H]([N-]C(=O)C(F)(F)F)CC2=O ZINC000004072837 181069549 /nfs/dbraw/zinc/06/95/49/181069549.db2.gz GFZBONQUPPOREX-MRVPVSSYSA-N -1 0 303.236 2.010 50 0 DEAARM O=C([O-])[C@H]1[C@@H]2C=C[C@@H](O2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 ZINC000004175174 181081721 /nfs/dbraw/zinc/08/17/21/181081721.db2.gz VNRZMUSBXJXIPM-KXNHARMFSA-N -1 0 311.696 2.072 50 0 DEAARM CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000236805460 202019217 /nfs/dbraw/zinc/01/92/17/202019217.db2.gz BRDGMNGNRFVVSM-ARFHVFGLSA-N -1 0 317.385 2.226 50 0 DEAARM Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(N)=O)c1C ZINC000004646617 181131486 /nfs/dbraw/zinc/13/14/86/181131486.db2.gz JPSOQNVAEXKMTR-UWVGGRQHSA-N -1 0 324.402 2.293 50 0 DEAARM C[C@@H]1CCCN(c2ccccc2OS(=O)(=O)c2cnc[n-]2)C1 ZINC000076018125 355119580 /nfs/dbraw/zinc/11/95/80/355119580.db2.gz IPRWUMAYQBGNGR-GFCCVEGCSA-N -1 0 321.402 2.414 50 0 DEAARM Cc1c2cc(S(=O)(=O)N3CCCC3)ccc2oc1C(=O)[O-] ZINC000005185066 181214634 /nfs/dbraw/zinc/21/46/34/181214634.db2.gz IOIKVHZLPIOZFP-UHFFFAOYSA-N -1 0 309.343 2.224 50 0 DEAARM CC(C)Oc1cccc(CC(=O)Nc2c[nH]nc2C(=O)[O-])c1 ZINC000585134757 357336441 /nfs/dbraw/zinc/33/64/41/357336441.db2.gz JADJSBIDNJHARN-UHFFFAOYSA-N -1 0 303.318 2.076 50 0 DEAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(-c2coc(C)n2)cc1 ZINC000585139659 357338259 /nfs/dbraw/zinc/33/82/59/357338259.db2.gz NKIJNOBKXBOQCV-ONNFQVAWSA-N -1 0 320.370 2.421 50 0 DEAARM O=C([O-])CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O ZINC000226087624 304068118 /nfs/dbraw/zinc/06/81/18/304068118.db2.gz OTJMFTFQURKRGU-UHFFFAOYSA-N -1 0 307.302 2.086 50 0 DEAARM COc1cccc2c(C)c(C(=O)N(CC(=O)[O-])C3CC3)oc21 ZINC000237346329 202239358 /nfs/dbraw/zinc/23/93/58/202239358.db2.gz MTBQAHSWBXSUNH-UHFFFAOYSA-N -1 0 303.314 2.439 50 0 DEAARM CS[C@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237416220 202259141 /nfs/dbraw/zinc/25/91/41/202259141.db2.gz SAMBALIHTSOZMZ-GFCCVEGCSA-N -1 0 307.415 2.383 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)Oc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000089279685 192758389 /nfs/dbraw/zinc/75/83/89/192758389.db2.gz GALIWSGCDJHYRH-NVBFEUDRSA-N -1 0 321.373 2.272 50 0 DEAARM C[C@H](CN(C(=O)[C@@H]1CCOc2ccccc21)C1CC1)C(=O)[O-] ZINC000237610274 202302470 /nfs/dbraw/zinc/30/24/70/202302470.db2.gz WMVPQZSIKTZTSW-BXUZGUMPSA-N -1 0 303.358 2.264 50 0 DEAARM Cc1cc2cc(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)oc2cc1C ZINC000237905038 202385568 /nfs/dbraw/zinc/38/55/68/202385568.db2.gz UIDUIAUNMXCEPT-ZDUSSCGKSA-N -1 0 317.341 2.365 50 0 DEAARM Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(C(=O)[O-])o2)o1 ZINC000237903552 202385699 /nfs/dbraw/zinc/38/56/99/202385699.db2.gz RHOSLUMIUZBNMR-JTQLQIEISA-N -1 0 305.286 2.093 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1noc2c1CCCC2)c1ccccc1 ZINC000095947187 304096534 /nfs/dbraw/zinc/09/65/34/304096534.db2.gz DNSANPKYJLFKEK-ZDUSSCGKSA-N -1 0 300.314 2.109 50 0 DEAARM COc1csc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c1 ZINC000192991496 200974357 /nfs/dbraw/zinc/97/43/57/200974357.db2.gz JKNJNTVDHYVJLH-UHFFFAOYSA-N -1 0 309.347 2.025 50 0 DEAARM O=S(=O)([N-]c1ccc2c(c1)OCCO2)c1ccccc1F ZINC000006315577 181329373 /nfs/dbraw/zinc/32/93/73/181329373.db2.gz QBSGKORMMJYCQY-UHFFFAOYSA-N -1 0 309.318 2.398 50 0 DEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(C(=O)N(C)CC2CC2)cc1 ZINC000195191821 201356276 /nfs/dbraw/zinc/35/62/76/201356276.db2.gz FWXNPYRKEXZFKW-UHFFFAOYSA-N -1 0 313.357 2.361 50 0 DEAARM CCC[C@@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000195551829 201406812 /nfs/dbraw/zinc/40/68/12/201406812.db2.gz OLOLZXHLOHTCIN-CYBMUJFWSA-N -1 0 319.361 2.374 50 0 DEAARM NC(=O)c1cc(S(=O)(=O)[N-]c2cccc(Cl)c2)cs1 ZINC000006678640 181369505 /nfs/dbraw/zinc/36/95/05/181369505.db2.gz IYLAEEANHROVCB-UHFFFAOYSA-N -1 0 316.791 2.301 50 0 DEAARM CCc1nc(N2CCC[C@](CCOC)(C(=O)[O-])C2)ncc1C ZINC000091492934 193064161 /nfs/dbraw/zinc/06/41/61/193064161.db2.gz IPUQJJPKZDVUBX-MRXNPFEDSA-N -1 0 307.394 2.055 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc3c2NCCC3)C[C@H]1C1CC1 ZINC000091934910 193129096 /nfs/dbraw/zinc/12/90/96/193129096.db2.gz NOZFATDTBGNCQE-LSDHHAIUSA-N -1 0 314.385 2.228 50 0 DEAARM CCn1nc(C)c(S(=O)(=O)[N-]c2nccc3cc[nH]c32)c1C ZINC000629351547 367170987 /nfs/dbraw/zinc/17/09/87/367170987.db2.gz AGUOYGNRMDHUJK-UHFFFAOYSA-N -1 0 319.390 2.197 50 0 DEAARM C[C@@H](NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C)C(=O)[O-] ZINC000237334095 296104568 /nfs/dbraw/zinc/10/45/68/296104568.db2.gz XWCROSMHMQLOIC-SSDOTTSWSA-N -1 0 314.263 2.400 50 0 DEAARM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000262227189 203234243 /nfs/dbraw/zinc/23/42/43/203234243.db2.gz XVXMWMQGZCQPSE-GHMZBOCLSA-N -1 0 317.263 2.264 50 0 DEAARM CC(C)(C)n1cc(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cn1 ZINC000262498113 203309487 /nfs/dbraw/zinc/30/94/87/203309487.db2.gz NAIZDGVUYFIXNN-CQSZACIVSA-N -1 0 315.373 2.236 50 0 DEAARM O=S(=O)([N-]c1ccon1)c1ccc(Br)c(F)c1 ZINC000096005670 193487978 /nfs/dbraw/zinc/48/79/78/193487978.db2.gz ILQYLGFRXMVWAI-UHFFFAOYSA-N -1 0 321.127 2.377 50 0 DEAARM Cc1cc(SCC(=O)Nc2cccc(C(=O)[O-])c2)ncn1 ZINC000012000490 181723211 /nfs/dbraw/zinc/72/32/11/181723211.db2.gz BPJIOSSOFYYVBO-UHFFFAOYSA-N -1 0 303.343 2.214 50 0 DEAARM O=C(Nc1ccc2c(c1)OCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000012414632 181759439 /nfs/dbraw/zinc/75/94/39/181759439.db2.gz SWOKNUOOIKMLMN-UHFFFAOYSA-N -1 0 324.292 2.215 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)COc2ccccc2F)cc1 ZINC000013442777 181850495 /nfs/dbraw/zinc/85/04/95/181850495.db2.gz NISBIJAEYVHVQE-UHFFFAOYSA-N -1 0 317.316 2.262 50 0 DEAARM CCCC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000015861995 182022639 /nfs/dbraw/zinc/02/26/39/182022639.db2.gz ULMNCWOXFLVQAZ-UHFFFAOYSA-N -1 0 313.404 2.406 50 0 DEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)Cc1cccc(Cl)c1 ZINC000016577323 182049763 /nfs/dbraw/zinc/04/97/63/182049763.db2.gz YPYWVXOTXPNYIL-UHFFFAOYSA-N -1 0 324.789 2.381 50 0 DEAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1ccccc1F ZINC000017053120 182071669 /nfs/dbraw/zinc/07/16/69/182071669.db2.gz FPNYZMSUULNZAM-UHFFFAOYSA-N -1 0 315.329 2.208 50 0 DEAARM Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)[n-]c1=O ZINC000018220068 182099679 /nfs/dbraw/zinc/09/96/79/182099679.db2.gz HNPHXNPVAWIGBE-UHFFFAOYSA-N -1 0 310.766 2.270 50 0 DEAARM CC(C)[C@@H](NC(=O)c1cc(Br)ccc1F)C(=O)[O-] ZINC000019425343 182122553 /nfs/dbraw/zinc/12/25/53/182122553.db2.gz BDTSFTWTWVLCKP-SNVBAGLBSA-N -1 0 318.142 2.427 50 0 DEAARM C[C@@H](C(=O)[O-])N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O ZINC000020130908 182189882 /nfs/dbraw/zinc/18/98/82/182189882.db2.gz QBFPTDSBIHPUFM-LURJTMIESA-N -1 0 312.174 2.233 50 0 DEAARM Cc1cc(Cl)ccc1NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1 ZINC000021812478 182291937 /nfs/dbraw/zinc/29/19/37/182291937.db2.gz NOODJTXVYJRURE-UHFFFAOYSA-N -1 0 314.750 2.476 50 0 DEAARM O=C([O-])CNC(=O)c1cc(-c2ccccn2)nc2ccccc21 ZINC000040286706 183051139 /nfs/dbraw/zinc/05/11/39/183051139.db2.gz WFNRZHWJYRSEND-UHFFFAOYSA-N -1 0 307.309 2.111 50 0 DEAARM COc1cccc(-c2nc(C)c(C(=O)N[C@@H](C)C(=O)[O-])s2)c1 ZINC000040310360 183053671 /nfs/dbraw/zinc/05/36/71/183053671.db2.gz BQJSNXBGEVMYPQ-VIFPVBQESA-N -1 0 320.370 2.330 50 0 biogenic DEAARM O=C([O-])CN(C(=O)/C=C\c1ccccc1Cl)C1CCOCC1 ZINC000492139700 249005660 /nfs/dbraw/zinc/00/56/60/249005660.db2.gz OFUDDZVKLJBQLP-WAYWQWQTSA-N -1 0 323.776 2.445 50 0 DEAARM Cc1cc2occ(CC(=O)[N-]S(C)(=O)=O)c2cc1C(C)C ZINC000040544004 183099192 /nfs/dbraw/zinc/09/91/92/183099192.db2.gz QINRHCJJOVWTCQ-UHFFFAOYSA-N -1 0 309.387 2.483 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CCO1 ZINC000043701596 183381663 /nfs/dbraw/zinc/38/16/63/183381663.db2.gz HJABPKRFDPVPAT-SNVBAGLBSA-N -1 0 322.119 2.058 50 0 DEAARM Cn1c2cc(C(=O)[O-])ccc2n(Cc2c(F)cccc2F)c1=O ZINC000055166688 183968122 /nfs/dbraw/zinc/96/81/22/183968122.db2.gz JXVLYLCDUNCTOY-UHFFFAOYSA-N -1 0 318.279 2.365 50 0 DEAARM COc1ccc(F)cc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000268951989 207115804 /nfs/dbraw/zinc/11/58/04/207115804.db2.gz UBCLRFPLJXVVDI-LBPRGKRZSA-N -1 0 307.321 2.161 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000062119322 184206777 /nfs/dbraw/zinc/20/67/77/184206777.db2.gz BRQVKLLLFXBKLB-MRVPVSSYSA-N -1 0 305.227 2.391 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000062118524 184206787 /nfs/dbraw/zinc/20/67/87/184206787.db2.gz VBNXFEDRGSDXJE-SNVBAGLBSA-N -1 0 301.264 2.181 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000062118492 184206818 /nfs/dbraw/zinc/20/68/18/184206818.db2.gz FXDRKHWKIPMNQC-SECBINFHSA-N -1 0 307.733 2.049 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Br)C1 ZINC000062912614 184259491 /nfs/dbraw/zinc/25/94/91/184259491.db2.gz GCPAOWAUHHMEHR-CYBMUJFWSA-N -1 0 312.163 2.386 50 0 DEAARM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N1CCCCC1 ZINC000064479417 184298251 /nfs/dbraw/zinc/29/82/51/184298251.db2.gz YJAXRYZPWRSPPA-UHFFFAOYSA-N -1 0 316.810 2.338 50 0 DEAARM CN(Cc1noc2c1CCCC2)Cc1ncccc1C(=O)[O-] ZINC000065409756 184340375 /nfs/dbraw/zinc/34/03/75/184340375.db2.gz OEAIBXGOUXJMKA-UHFFFAOYSA-N -1 0 301.346 2.279 50 0 DEAARM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000065475243 184351831 /nfs/dbraw/zinc/35/18/31/184351831.db2.gz WLLPAAYBYIWUPA-LSDHHAIUSA-N -1 0 324.421 2.132 50 0 DEAARM Cc1ccc([N-]S(=O)(=O)c2cn[nH]c2)cc1OCC(F)F ZINC000065611626 184373658 /nfs/dbraw/zinc/37/36/58/184373658.db2.gz HVCQTBAYUUPOQH-UHFFFAOYSA-N -1 0 317.317 2.163 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@@H]3CCC[C@H]32)cc1 ZINC000299741830 304240441 /nfs/dbraw/zinc/24/04/41/304240441.db2.gz GKXMKQGXYOXMKM-HUUCEWRRSA-N -1 0 303.358 2.097 50 0 DEAARM CCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(OC)c(OC)c1 ZINC000006658138 285169412 /nfs/dbraw/zinc/16/94/12/285169412.db2.gz PNRDNHRKDCHUOI-XHDPSFHLSA-N -1 0 307.346 2.088 50 0 DEAARM O=C([O-])c1cn(-c2ccc3c(c2)OCO3)c(=O)c2ccccc12 ZINC000095095472 304274090 /nfs/dbraw/zinc/27/40/90/304274090.db2.gz WTPIOIPLISXJNO-UHFFFAOYSA-N -1 0 309.277 2.418 50 0 DEAARM Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237752759 257237571 /nfs/dbraw/zinc/23/75/71/257237571.db2.gz FUTASIPXUMCCEL-ZDUSSCGKSA-N -1 0 312.369 2.327 50 0 DEAARM Cc1ccccc1CCC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000237719289 257238777 /nfs/dbraw/zinc/23/87/77/257238777.db2.gz MXWJALNDERSLNA-INIZCTEOSA-N -1 0 319.401 2.410 50 0 DEAARM Cc1ccc(Br)cc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000087741801 257261049 /nfs/dbraw/zinc/26/10/49/257261049.db2.gz YSEOLPFWCSICGJ-LLVKDONJSA-N -1 0 312.163 2.447 50 0 DEAARM COc1ccccc1-c1ccc(N2CCC[C@H](C(=O)[O-])C2)nn1 ZINC000061966106 134804390 /nfs/dbraw/zinc/80/43/90/134804390.db2.gz ZIBOOQHMCPGNOK-LBPRGKRZSA-N -1 0 313.357 2.453 50 0 DEAARM CCc1nc(CNC(=O)NCc2ccc(C(=O)[O-])cc2)cs1 ZINC000262316633 145275674 /nfs/dbraw/zinc/27/56/74/145275674.db2.gz ZSWXJDCLTZHVFS-UHFFFAOYSA-N -1 0 319.386 2.403 50 0 DEAARM O=C([O-])c1csc(CCNC(=O)c2cccc3c2CCC3)n1 ZINC000263015509 145318498 /nfs/dbraw/zinc/31/84/98/145318498.db2.gz LUYGEAORJCJUQT-UHFFFAOYSA-N -1 0 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ZINC000000259904 401692970 /nfs/dbraw/zinc/69/29/70/401692970.db2.gz DIVDBLSWGCKPOP-UHFFFAOYSA-N -1 0 319.342 2.199 50 0 DEAARM COc1ccc(-c2cc(C(=O)NCC(=O)[O-])c(C)o2)cc1OC ZINC000000479859 401699137 /nfs/dbraw/zinc/69/91/37/401699137.db2.gz ZFHGUPINKJPQKW-UHFFFAOYSA-N -1 0 319.313 2.087 50 0 DEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1 ZINC000000469741 401699291 /nfs/dbraw/zinc/69/92/91/401699291.db2.gz ZQSCJCJHHQXALH-UHFFFAOYSA-N -1 0 316.791 2.301 50 0 DEAARM O=C([O-])/C=C/C(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1 ZINC000000526152 401700005 /nfs/dbraw/zinc/70/00/05/401700005.db2.gz BWBGMZWSRKOJRE-MVIFTORASA-N -1 0 300.270 2.191 50 0 DEAARM COc1ccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000000571578 401701528 /nfs/dbraw/zinc/70/15/28/401701528.db2.gz ASAYMJFIFJQJKN-UHFFFAOYSA-N -1 0 320.370 2.319 50 0 DEAARM CCCC[C@H](C)C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072407539 401710133 /nfs/dbraw/zinc/71/01/33/401710133.db2.gz QYHWODBYPHCNSC-ZDUSSCGKSA-N -1 0 307.394 2.112 50 0 DEAARM CCOc1ccc(CC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000013404800 401799178 /nfs/dbraw/zinc/79/91/78/401799178.db2.gz LHXVBXVKGSSXET-UHFFFAOYSA-N -1 0 320.370 2.350 50 0 DEAARM O=C([O-])C[C@H]1Sc2nnc(C3CC3)n2N=C1c1ccccc1 ZINC000008315731 401751599 /nfs/dbraw/zinc/75/15/99/401751599.db2.gz FAMGBKOLEPEESD-LLVKDONJSA-N -1 0 314.370 2.357 50 0 DEAARM CN1C(=O)CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000009828243 401766068 /nfs/dbraw/zinc/76/60/68/401766068.db2.gz MNZNPNUYLNVRCT-UHFFFAOYSA-N -1 0 322.411 2.458 50 0 DEAARM CC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000013012559 401795166 /nfs/dbraw/zinc/79/51/66/401795166.db2.gz YGQJKQUFUFKGNW-KBPBESRZSA-N -1 0 302.330 2.251 50 0 DEAARM CCn1c(SCC(=O)[N-]OC)nnc1-c1ccccc1C ZINC000023200257 401828043 /nfs/dbraw/zinc/82/80/43/401828043.db2.gz CGEWTGVKNVCZNS-UHFFFAOYSA-N -1 0 306.391 2.043 50 0 DEAARM CCNC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000030521829 401864152 /nfs/dbraw/zinc/86/41/52/401864152.db2.gz HOIZOXLQNJHAQD-RYUDHWBXSA-N 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ZINC000096007299 402046631 /nfs/dbraw/zinc/04/66/31/402046631.db2.gz FBOLCMHBURGULX-UHFFFAOYSA-N -1 0 318.358 2.278 50 0 DEAARM Cc1cc(NC(=O)Cc2csc([N-]c3ncccn3)n2)no1 ZINC000049029397 402010801 /nfs/dbraw/zinc/01/08/01/402010801.db2.gz GGJJQEJMPFGXFD-UHFFFAOYSA-N -1 0 316.346 2.154 50 0 DEAARM O=C([O-])CNc1cccc(C(=O)NCCCC[C@@H]2CCCO2)c1 ZINC000055358974 402080403 /nfs/dbraw/zinc/08/04/03/402080403.db2.gz UPUQKBYQBXIKOM-OAHLLOKOSA-N -1 0 320.389 2.262 50 0 DEAARM Cn1cnnc1-c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000055588504 402084186 /nfs/dbraw/zinc/08/41/86/402084186.db2.gz OAKOFEWXOYULIB-UHFFFAOYSA-N -1 0 320.399 2.344 50 0 DEAARM CC(C)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)nn1C ZINC000097018010 402100074 /nfs/dbraw/zinc/10/00/74/402100074.db2.gz RSUAGGDUOZJMQU-CQSZACIVSA-N -1 0 301.346 2.099 50 0 DEAARM Cc1cc(C(=O)N(C)CCC(=O)[O-])nn1-c1ccc(F)cc1F ZINC000097035950 402100600 /nfs/dbraw/zinc/10/06/00/402100600.db2.gz QSCXVLOCCBLFMO-UHFFFAOYSA-N -1 0 323.299 2.006 50 0 DEAARM Cc1ncsc1C(=O)N[C@@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000097036668 402101666 /nfs/dbraw/zinc/10/16/66/402101666.db2.gz DINBEMXKHWPBCZ-SNVBAGLBSA-N -1 0 312.297 2.285 50 0 DEAARM O=C(NCCOc1cccnc1)c1cc(F)c(F)c([O-])c1F ZINC000097112813 402108611 /nfs/dbraw/zinc/10/86/11/402108611.db2.gz DZJCCYJRKOFHIE-UHFFFAOYSA-N -1 0 312.247 2.013 50 0 DEAARM Cn1c(=O)c(C(=O)Nc2ccccc2O)c([O-])c2ccccc21 ZINC000100502072 402141721 /nfs/dbraw/zinc/14/17/21/402141721.db2.gz UUWKBNGMJMASDU-UHFFFAOYSA-N -1 0 310.309 2.202 50 0 DEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1 ZINC000101128298 402143941 /nfs/dbraw/zinc/14/39/41/402143941.db2.gz NTDTUAFZLANFCH-HUUCEWRRSA-N -1 0 306.325 2.493 50 0 DEAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c1 ZINC000101167586 402144261 /nfs/dbraw/zinc/14/42/61/402144261.db2.gz IVSYLHPMOQHMOO-HOTGVXAUSA-N -1 0 320.352 2.488 50 0 DEAARM O=C([O-])c1nnn(-c2cc(F)cc(F)c2)c1-c1ccncc1 ZINC000067323699 402156850 /nfs/dbraw/zinc/15/68/50/402156850.db2.gz LHHJIISYFDLBSB-UHFFFAOYSA-N -1 0 302.240 2.306 50 0 DEAARM CCOc1cc(C(=O)NCc2nc(C(=O)[O-])cs2)ccc1C ZINC000124379381 402177494 /nfs/dbraw/zinc/17/74/94/402177494.db2.gz TVJOXYMHNQZBLK-UHFFFAOYSA-N -1 0 320.370 2.478 50 0 DEAARM O=C([O-])C1(C(=O)NCc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000154771733 402230998 /nfs/dbraw/zinc/23/09/98/402230998.db2.gz XGAXTOZYUMHFPV-UHFFFAOYSA-N -1 0 317.263 2.109 50 0 DEAARM COCc1c(C(=O)[O-])nnn1Cc1cccc(C(F)(F)F)c1 ZINC000070456965 402260528 /nfs/dbraw/zinc/26/05/28/402260528.db2.gz VSWCXAFSWRSTKJ-UHFFFAOYSA-N -1 0 315.251 2.190 50 0 DEAARM Cc1cccc(Cl)c1CC(=O)[N-]S(=O)(=O)CC(C)C ZINC000225692880 402322024 /nfs/dbraw/zinc/32/20/24/402322024.db2.gz IZYMLAMOJRBWLS-UHFFFAOYSA-N -1 0 303.811 2.293 50 0 DEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000071280439 402271806 /nfs/dbraw/zinc/27/18/06/402271806.db2.gz OKAMFMVXEIERJY-CHWSQXEVSA-N -1 0 301.298 2.088 50 0 DEAARM Cc1ccc(CCNC(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)s1 ZINC000215870498 402285711 /nfs/dbraw/zinc/28/57/11/402285711.db2.gz OWEFTEVPQHJRFN-UHFFFAOYSA-N -1 0 319.430 2.410 50 0 DEAARM O=S(=O)([N-]c1cccnc1-n1cccn1)c1ccccc1 ZINC000071859401 402289551 /nfs/dbraw/zinc/28/95/51/402289551.db2.gz AUDICXOPOKLYOJ-UHFFFAOYSA-N -1 0 300.343 2.068 50 0 DEAARM CCCO[C@@H]1CCCN(C(=O)c2cc(C(C)(C)C)nc(=O)[nH]2)C1 ZINC000220227107 402300996 /nfs/dbraw/zinc/30/09/96/402300996.db2.gz WHQVWKLSMKKFGQ-GFCCVEGCSA-N -1 0 321.421 2.099 50 0 DEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)c(F)c1 ZINC000225464783 402318271 /nfs/dbraw/zinc/31/82/71/402318271.db2.gz RHPZHBLRLHPAHP-UHFFFAOYSA-N -1 0 324.333 2.117 50 0 DEAARM Cc1cc(CNC(=O)C[C@H](CC(=O)[O-])c2cccs2)n(C)n1 ZINC000226750953 402330197 /nfs/dbraw/zinc/33/01/97/402330197.db2.gz HRZBIYVNMQXVDB-LLVKDONJSA-N -1 0 321.402 2.055 50 0 DEAARM Cc1ccccc1Cc1nc(CN2CCC[C@H]2C(=O)[O-])no1 ZINC000237757425 402420188 /nfs/dbraw/zinc/42/01/88/402420188.db2.gz WUIRJIVAEZQGPE-ZDUSSCGKSA-N -1 0 301.346 2.018 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CC[C@@H](Cc3ccccc3)C2)cn1 ZINC000238000588 402431253 /nfs/dbraw/zinc/43/12/53/402431253.db2.gz OOVYHAJTXOPJPE-AWEZNQCLSA-N -1 0 310.353 2.485 50 0 DEAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cccnc2)CC1 ZINC000238007216 402431841 /nfs/dbraw/zinc/43/18/41/402431841.db2.gz WGLNTNGENSRZFG-UHFFFAOYSA-N -1 0 310.353 2.340 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000238103154 402438137 /nfs/dbraw/zinc/43/81/37/402438137.db2.gz CZGCJSJZYMXNDD-QMMMGPOBSA-N -1 0 308.384 2.418 50 0 DEAARM CC[C@@H](C(=O)[O-])N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000242688363 402445307 /nfs/dbraw/zinc/44/53/07/402445307.db2.gz VOHLTBGDYYQCPC-NSHDSACASA-N -1 0 305.783 2.278 50 0 DEAARM CC(C)(C)c1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)no1 ZINC000262811168 402733276 /nfs/dbraw/zinc/73/32/76/402733276.db2.gz OCQMJGJTTJAMBY-UHFFFAOYSA-N -1 0 320.349 2.241 50 0 DEAARM CC(C)Oc1cccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)n1 ZINC000263287787 402754884 /nfs/dbraw/zinc/75/48/84/402754884.db2.gz VKLPKQLBGZAWQX-LBPRGKRZSA-N -1 0 318.373 2.196 50 0 DEAARM CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCCC(=O)[O-] ZINC000263398063 402766160 /nfs/dbraw/zinc/76/61/60/402766160.db2.gz RQMJXIQBKHUGNZ-UHFFFAOYSA-N -1 0 304.268 2.322 50 0 DEAARM Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@@H]1C ZINC000263466663 402772250 /nfs/dbraw/zinc/77/22/50/402772250.db2.gz CTUSTAONRIKVFY-WDEREUQCSA-N -1 0 315.366 2.008 50 0 DEAARM CCO[C@@H]1C[C@](NC(=O)c2cc(C(C)C)on2)(C(=O)[O-])C1(C)C ZINC000263536149 402778926 /nfs/dbraw/zinc/77/89/26/402778926.db2.gz OQSZAUFNOLKFEP-WBMJQRKESA-N -1 0 324.377 2.186 50 0 DEAARM CCO[C@@H]1C[C@@](NC(=O)c2ccoc2CC)(C(=O)[O-])C1(C)C ZINC000263538563 402779051 /nfs/dbraw/zinc/77/90/51/402779051.db2.gz PTDIAHWNDRBTPO-MLGOLLRUSA-N -1 0 309.362 2.230 50 0 DEAARM COc1ccc(-c2ccnc(N(C)C[C@H](C)C(=O)[O-])n2)cc1 ZINC000263542226 402779455 /nfs/dbraw/zinc/77/94/55/402779455.db2.gz DQGOGCPJHFJQII-NSHDSACASA-N -1 0 301.346 2.309 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc2cn[nH]c21 ZINC000262332916 402724365 /nfs/dbraw/zinc/72/43/65/402724365.db2.gz VWTWBZLTAOOWLY-SWHYSGLUSA-N -1 0 313.357 2.421 50 0 DEAARM CC1(C)[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]2CCO[C@H]21 ZINC000262348825 402724496 /nfs/dbraw/zinc/72/44/96/402724496.db2.gz AWJRYOKUABSNME-FVQBIDKESA-N -1 0 317.385 2.247 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000195541548 402850796 /nfs/dbraw/zinc/85/07/96/402850796.db2.gz CCDRNFUANYAGMF-AWEZNQCLSA-N -1 0 304.321 2.315 50 0 DEAARM CCOc1ccc2nc(N3CCC[C@H]3C(=O)[O-])nc(C)c2c1 ZINC000299760987 403568209 /nfs/dbraw/zinc/56/82/09/403568209.db2.gz SQTBURYLZCEXTK-AWEZNQCLSA-N -1 0 301.346 2.390 50 0 DEAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000344433991 404135206 /nfs/dbraw/zinc/13/52/06/404135206.db2.gz ABFAOAULPBLRDQ-JTQLQIEISA-N -1 0 315.373 2.155 50 0 DEAARM O=C([O-])C1(NC(=O)c2ccccc2N2CCCC2)CCCC1 ZINC000426436579 405360164 /nfs/dbraw/zinc/36/01/64/405360164.db2.gz PDKQDNNJKJAGFT-UHFFFAOYSA-N -1 0 302.374 2.414 50 0 DEAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136125743 196521605 /nfs/dbraw/zinc/52/16/05/196521605.db2.gz FHZLQGLTXLSTST-LLVKDONJSA-N -1 0 318.329 2.109 50 0 DEAARM O=C(C[P@](=O)([O-])O)Nc1nc2ccc(Cl)cc2s1 ZINC000020502712 418413361 /nfs/dbraw/zinc/41/33/61/418413361.db2.gz UJZBJCSQTYSICH-UHFFFAOYSA-N -1 0 306.667 2.066 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc2n[nH]cc2c1 ZINC000299745404 229387100 /nfs/dbraw/zinc/38/71/00/229387100.db2.gz YUCHGNDOISOIET-VQISRLSMSA-N -1 0 313.357 2.421 50 0 DEAARM CCn1c(=O)c2ccc(C(=O)N(C)CC(C)C)cc2[n-]c1=S ZINC000103073997 424848164 /nfs/dbraw/zinc/84/81/64/424848164.db2.gz ZHRBAZBFSSOSQI-UHFFFAOYSA-N -1 0 319.430 2.433 50 0 DEAARM Cn1cccc(NC(=O)c2ccc3nc([S-])oc3c2)c1=O ZINC000073609674 424843374 /nfs/dbraw/zinc/84/33/74/424843374.db2.gz AJNPSKLQRYOOMQ-UHFFFAOYSA-N -1 0 301.327 2.068 50 0 DEAARM C[C@@H]1C[C@@H](C)[C@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)O1 ZINC000649239845 424975499 /nfs/dbraw/zinc/97/54/99/424975499.db2.gz LCUSMPOUMRHSRY-XJKCOSOUSA-N -1 0 305.374 2.303 50 0 DEAARM CN(C)c1ccc(C(=O)N(CC(=O)[O-])CC(C)(C)C)cc1F ZINC000659783412 425650741 /nfs/dbraw/zinc/65/07/41/425650741.db2.gz RGSLTPLSCVKPBY-UHFFFAOYSA-N -1 0 310.369 2.465 50 0 DEAARM CC(=O)NC([N-]c1cc(C)on1)(C(F)(F)F)C(F)(F)F ZINC000000978358 278078503 /nfs/dbraw/zinc/07/85/03/278078503.db2.gz AHIHHHIJYFWSRS-UHFFFAOYSA-N -1 0 305.178 2.352 50 0 DEAARM CC(C)n1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])n1 ZINC000095969902 280772379 /nfs/dbraw/zinc/77/23/79/280772379.db2.gz KBLMBNVRXTVRHS-HNNXBMFYSA-N -1 0 313.357 2.116 50 0 DEAARM COCc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])o1 ZINC000299744298 293302380 /nfs/dbraw/zinc/30/23/80/293302380.db2.gz ODJXAAVDLLECPT-RTXFEEFZSA-N -1 0 307.346 2.284 50 0 DEAARM COc1ccc2[nH]c(-n3cc(C)c(=O)c(C)c3C(=O)[O-])nc2c1 ZINC000077294135 295279449 /nfs/dbraw/zinc/27/94/49/295279449.db2.gz CDVIAIZPAAQCEE-UHFFFAOYSA-N -1 0 313.313 2.037 50 0 in-vitro DEAARM COc1cccc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000004724497 295311570 /nfs/dbraw/zinc/31/15/70/295311570.db2.gz ZNLWEOISSFZGEN-UHFFFAOYSA-N -1 0 317.297 2.117 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2ccccc2OC(F)F)C1 ZINC000095425583 297880266 /nfs/dbraw/zinc/88/02/66/297880266.db2.gz QDLVEUDFDFUWAU-OAHLLOKOSA-N -1 0 313.300 2.154 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000237652011 297882589 /nfs/dbraw/zinc/88/25/89/297882589.db2.gz BEBNZIFCWOUWFB-XJKSGUPXSA-N -1 0 305.399 2.340 50 0 DEAARM C[C@H]1N(C(=O)c2ccc(C(=O)[O-])cc2)CCC12CCOCC2 ZINC000263580547 300559100 /nfs/dbraw/zinc/55/91/00/300559100.db2.gz WBPUPWQKCJEOAV-GFCCVEGCSA-N -1 0 303.358 2.416 50 0 DEAARM Cc1cccc2[nH]cc(CC(=O)N3CCCC[C@H]3C(=O)[O-])c21 ZINC000195541593 302051395 /nfs/dbraw/zinc/05/13/95/302051395.db2.gz MGMARJKISZHGTI-AWEZNQCLSA-N -1 0 300.358 2.485 50 0 DEAARM CCOc1cc2c(cc1CNC(=O)C(C)(C)C(=O)[O-])O[C@@H](C)C2 ZINC000576945828 326331239 /nfs/dbraw/zinc/33/12/39/326331239.db2.gz CCRAZTGCMHAHLQ-JTQLQIEISA-N -1 0 321.373 2.136 50 0 DEAARM CCc1cc(-c2ccc(C(=O)[O-])s2)nc(N2CCOCC2)n1 ZINC000534574446 334287577 /nfs/dbraw/zinc/28/75/77/334287577.db2.gz BLSPEHZTPXNNHB-UHFFFAOYSA-N -1 0 319.386 2.302 50 0 DEAARM COc1ccc(-c2c(C)nn(C)c2C(=O)[O-])c(OC)c1OC ZINC000534670827 334320022 /nfs/dbraw/zinc/32/00/22/334320022.db2.gz QQCGIPRNAIKKLH-UHFFFAOYSA-N -1 0 306.318 2.120 50 0 DEAARM O=S(=O)([N-]c1ccc2[nH]nnc2c1)c1ccc(Cl)s1 ZINC000176529429 337383606 /nfs/dbraw/zinc/38/36/06/337383606.db2.gz ATEBBNOARBDSRB-UHFFFAOYSA-N -1 0 314.779 2.474 50 0 DEAARM CCc1ncc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000237071000 337383619 /nfs/dbraw/zinc/38/36/19/337383619.db2.gz SUGQOORWWIHQPQ-LBPRGKRZSA-N -1 0 316.382 2.357 50 0 DEAARM CCOc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)ccc1C ZINC000299751742 528209012 /nfs/dbraw/zinc/20/90/12/528209012.db2.gz RNRLJBHWBSRLQU-UHFFFAOYSA-N -1 0 321.373 2.100 50 0 DEAARM COC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)cc2C)C1 ZINC000262897341 536817522 /nfs/dbraw/zinc/81/75/22/536817522.db2.gz LXISAAJQMLHAOK-MRXNPFEDSA-N -1 0 309.337 2.088 50 0 DEAARM COCC1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1 ZINC000492119074 536834843 /nfs/dbraw/zinc/83/48/43/536834843.db2.gz OGIPMSNIUSMHHF-DAXSKMNVSA-N -1 0 303.358 2.283 50 0 DEAARM Cc1nc2c(nc(C)nc2N[C@H](Cc2ccccc2)C(=O)[O-])o1 ZINC000000463390 683830477 /nfs/dbraw/zinc/83/04/77/683830477.db2.gz PCUHOAWNMCITHZ-GFCCVEGCSA-N -1 0 312.329 2.342 50 0 DEAARM CC(C)Oc1nn(C)c2ccc(NC(=O)CCC(=O)[O-])cc12 ZINC000675028390 778340499 /nfs/dbraw/zinc/34/04/99/778340499.db2.gz RTZYHJNWISKCTD-UHFFFAOYSA-N -1 0 305.334 2.164 50 0 DEAARM Cc1ncc(C(=O)[O-])cc1NC(=O)C[C@H]1CSCCS1 ZINC000952850571 792778244 /nfs/dbraw/zinc/77/82/44/792778244.db2.gz ZGHOLSJZKYJOBV-JTQLQIEISA-N -1 0 312.416 2.265 50 0 DEAARM CC(C)n1cc(C(=O)N(C)[C@H](C(=O)[O-])c2cccs2)cn1 ZINC000095528145 185378505 /nfs/dbraw/zinc/37/85/05/185378505.db2.gz NNVLYETULWGVGH-LBPRGKRZSA-N -1 0 307.375 2.423 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)c1coc(Br)c1)C(=O)[O-] ZINC000096999726 185396025 /nfs/dbraw/zinc/39/60/25/185396025.db2.gz UFLKNIIOSSLTSK-RCOVLWMOSA-N -1 0 304.140 2.271 50 0 DEAARM Cc1sc2nc(C)nc(SCc3n[nH]c(=O)[n-]3)c2c1C ZINC000092869733 185347319 /nfs/dbraw/zinc/34/73/19/185347319.db2.gz VGMAIZNLLUGVIX-UHFFFAOYSA-N -1 0 307.404 2.320 50 0 DEAARM C[C@@](Cc1ccccc1)(NC(=O)CCc1cscn1)C(=O)[O-] ZINC000095424783 185361395 /nfs/dbraw/zinc/36/13/95/185361395.db2.gz WTUXTQYBSKAXQY-INIZCTEOSA-N -1 0 318.398 2.278 50 0 DEAARM CC[C@@H](Oc1ccccc1F)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000095424090 185361530 /nfs/dbraw/zinc/36/15/30/185361530.db2.gz XMHFCKWMRYBCPP-DGCLKSJQSA-N -1 0 309.337 2.306 50 0 DEAARM O=C([O-])CSCCNC(=O)CCc1ccccc1Cl ZINC000095425375 185361560 /nfs/dbraw/zinc/36/15/60/185361560.db2.gz WGLXMWYWOFJCPI-UHFFFAOYSA-N -1 0 301.795 2.207 50 0 DEAARM Cc1nc(-c2cccc(S(=O)(=O)[N-]c3cccnc3)c2)no1 ZINC000035511162 539333648 /nfs/dbraw/zinc/33/36/48/539333648.db2.gz YPLAFBBTTXDBPF-UHFFFAOYSA-N -1 0 316.342 2.241 50 0 DEAARM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262788042 282395662 /nfs/dbraw/zinc/39/56/62/282395662.db2.gz MTTVEEZFHSZDSZ-KBPBESRZSA-N -1 0 320.389 2.446 50 0 DEAARM COCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000069814044 190822879 /nfs/dbraw/zinc/82/28/79/190822879.db2.gz GAWYAVVKHFOUSA-RNCFNFMXSA-N -1 0 315.728 2.100 50 0 DEAARM O=C(Cc1noc2ccccc12)N[C@H](Cc1ccccc1)C(=O)[O-] ZINC000170047904 539614215 /nfs/dbraw/zinc/61/42/15/539614215.db2.gz FIULGPVGAFNGMX-OAHLLOKOSA-N -1 0 324.336 2.182 50 0 DEAARM O=C([O-])Cc1csc(NC(=O)Cn2ccc3ccccc32)n1 ZINC000170043336 539614345 /nfs/dbraw/zinc/61/43/45/539614345.db2.gz WFRKHEZAZOAHKJ-UHFFFAOYSA-N -1 0 315.354 2.364 50 0 DEAARM Cc1ccc(C(=O)N[C@@](C)(COc2ccccc2)C(=O)[O-])o1 ZINC000139977145 186025204 /nfs/dbraw/zinc/02/52/04/186025204.db2.gz RHFIBACFEZFHLJ-INIZCTEOSA-N -1 0 303.314 2.240 50 0 DEAARM COc1ccc(C)nc1-c1cc(NCC(=O)[O-])nc2[nH]ccc21 ZINC000072168356 191066069 /nfs/dbraw/zinc/06/60/69/191066069.db2.gz MRKRKIXDURFPTL-UHFFFAOYSA-N -1 0 312.329 2.438 50 0 DEAARM O=C([O-])c1ccccc1C=NNC(=O)Cc1ccc(F)cc1 ZINC000252452678 539784401 /nfs/dbraw/zinc/78/44/01/539784401.db2.gz VPVWRFYTYMZRHG-UHFFFAOYSA-N -1 0 300.289 2.217 50 0 DEAARM CC[C@]1(C)CN(C(=O)CCc2ccccc2C(=O)[O-])CCO1 ZINC000263518830 539789891 /nfs/dbraw/zinc/78/98/91/539789891.db2.gz GCBOSKSNSOWPAA-QGZVFWFLSA-N -1 0 305.374 2.345 50 0 DEAARM C[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237456479 186292229 /nfs/dbraw/zinc/29/22/29/186292229.db2.gz WODUAMGGQUWQHJ-YPMHNXCESA-N -1 0 317.341 2.238 50 0 DEAARM C[C@@H](CN(C(=O)[C@H]1OCCc2ccccc21)C1CC1)C(=O)[O-] ZINC000237457936 186292362 /nfs/dbraw/zinc/29/23/62/186292362.db2.gz BMBMFYJPEWHBDO-NHYWBVRUSA-N -1 0 303.358 2.012 50 0 DEAARM C[C@@H](NC(=O)CN1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000253370963 186301618 /nfs/dbraw/zinc/30/16/18/186301618.db2.gz YUMCTYHIWJAICU-RISCZKNCSA-N -1 0 324.808 2.456 50 0 DEAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000262866090 186315555 /nfs/dbraw/zinc/31/55/55/186315555.db2.gz FPPUJWNITWCMRN-CABCVRRESA-N -1 0 303.358 2.270 50 0 DEAARM O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1cc(-c2ccccc2)no1 ZINC000072427240 191162000 /nfs/dbraw/zinc/16/20/00/191162000.db2.gz RITOBPIGDXRMRT-INIZCTEOSA-N -1 0 324.340 2.249 50 0 DEAARM Cc1nn2c(nc(-c3ccccc3)cc2NCc2nnn[n-]2)c1C ZINC000072454287 191170989 /nfs/dbraw/zinc/17/09/89/191170989.db2.gz RGZNXMYHZYJXKP-UHFFFAOYSA-N -1 0 320.360 2.138 50 0 DEAARM C[C@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn21)c1nnn[n-]1 ZINC000072474619 191176732 /nfs/dbraw/zinc/17/67/32/191176732.db2.gz DKVZPAUKPVSWKS-VIFPVBQESA-N -1 0 324.323 2.222 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1N ZINC000003885660 181052284 /nfs/dbraw/zinc/05/22/84/181052284.db2.gz KGULTNWNSDZZGE-UHFFFAOYSA-N -1 0 308.359 2.087 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@@H](O)c1cccc(Cl)c1 ZINC000004299321 181094581 /nfs/dbraw/zinc/09/45/81/181094581.db2.gz WDPBUGSOFADJLV-QWRGUYRKSA-N -1 0 315.753 2.351 50 0 DEAARM CSc1ccccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004650982 181131957 /nfs/dbraw/zinc/13/19/57/181131957.db2.gz SJHBBAFQUSGOOG-URBCHYCLSA-N -1 0 305.355 2.001 50 0 DEAARM O=C(NCc1cn2ccsc2n1)c1c([O-])cc(F)cc1F ZINC000066044057 354697819 /nfs/dbraw/zinc/69/78/19/354697819.db2.gz RWKMVXLRSRHSGT-UHFFFAOYSA-N -1 0 309.297 2.310 50 0 DEAARM C[C@H](NC(=O)c1c([O-])c2sccc2[nH]c1=O)c1cccnc1 ZINC000065215605 354680100 /nfs/dbraw/zinc/68/01/00/354680100.db2.gz XKIFRKHKZMVMGX-QMMMGPOBSA-N -1 0 315.354 2.181 50 0 DEAARM COc1ccc(Cl)cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000004961036 181179758 /nfs/dbraw/zinc/17/97/58/181179758.db2.gz JSDLFDKHZDSHSB-UHFFFAOYSA-N -1 0 307.693 2.089 50 0 DEAARM O=C(NC1CC1)c1ccsc1[N-]S(=O)(=O)c1ccccc1 ZINC000075124301 191424409 /nfs/dbraw/zinc/42/44/09/191424409.db2.gz VMPASIQKFMSBMT-UHFFFAOYSA-N -1 0 322.411 2.441 50 0 DEAARM Cc1ccsc1C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1 ZINC000097032636 355701508 /nfs/dbraw/zinc/70/15/08/355701508.db2.gz ZXQYXQNLIGGSJG-GFCCVEGCSA-N -1 0 319.386 2.429 50 0 DEAARM CC(C)C[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000005163233 181212695 /nfs/dbraw/zinc/21/26/95/181212695.db2.gz DNVARYVFWPISAP-NSHDSACASA-N -1 0 308.334 2.079 50 0 DEAARM COCCCNc1ncc(C(=O)[O-])c(-c2ccc(OC)cc2)n1 ZINC000169751237 355979756 /nfs/dbraw/zinc/97/97/56/355979756.db2.gz FUCNNXUQSZYRTF-UHFFFAOYSA-N -1 0 317.345 2.299 50 0 DEAARM CCN(C[C@@H](C)C(=O)OC)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170642123 355991197 /nfs/dbraw/zinc/99/11/97/355991197.db2.gz WPJIBRFGYKQIFH-SECBINFHSA-N -1 0 322.386 2.388 50 0 DEAARM CCC1=NO[C@@H](c2nc(=O)c3c(C)c(C(=O)OC)sc3[n-]2)C1 ZINC000170643139 355991257 /nfs/dbraw/zinc/99/12/57/355991257.db2.gz UDJQCIINBQDXGN-MRVPVSSYSA-N -1 0 321.358 2.307 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2ccc(C)cn2)cc1 ZINC000005570982 181258745 /nfs/dbraw/zinc/25/87/45/181258745.db2.gz MVIXZSZPLOYOOD-UHFFFAOYSA-N -1 0 305.359 2.209 50 0 DEAARM Cc1ccc(N)cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000005652893 181268168 /nfs/dbraw/zinc/26/81/68/181268168.db2.gz KGOJKDGFBDIZOT-UHFFFAOYSA-N -1 0 306.343 2.076 50 0 DEAARM COc1ccc(C[C@H](C)C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237229359 202197438 /nfs/dbraw/zinc/19/74/38/202197438.db2.gz SRJKGWVTBFFLHK-LBPRGKRZSA-N -1 0 305.374 2.197 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1cnc2ccccc2n1 ZINC000299743643 304062727 /nfs/dbraw/zinc/06/27/27/304062727.db2.gz ODXVYGWFGFJOAX-GFCCVEGCSA-N -1 0 313.357 2.489 50 0 DEAARM O=C([O-])CSCc1nc(=O)c2c3c(sc2[nH]1)CCCC3 ZINC000003296679 304073085 /nfs/dbraw/zinc/07/30/85/304073085.db2.gz LEPVNFQTWXVSFW-UHFFFAOYSA-N -1 0 310.400 2.181 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000237303483 202224884 /nfs/dbraw/zinc/22/48/84/202224884.db2.gz UIBWWCQFGBUAHV-STMXVASLSA-N -1 0 307.321 2.313 50 0 DEAARM C[C@H](NC(=O)[C@@H]1CCCO[C@@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC000668289764 540638153 /nfs/dbraw/zinc/63/81/53/540638153.db2.gz CRGKHDSKQFDNJC-YWPYICTPSA-N -1 0 321.373 2.142 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000237643917 202315615 /nfs/dbraw/zinc/31/56/15/202315615.db2.gz LODDSTDEHJYEBG-QGZVFWFLSA-N -1 0 300.358 2.424 50 0 DEAARM Cc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)sc1C ZINC000237673584 202324815 /nfs/dbraw/zinc/32/48/15/202324815.db2.gz YJKDWLDCWPIIEH-GFCCVEGCSA-N -1 0 311.403 2.461 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000003864748 304106605 /nfs/dbraw/zinc/10/66/05/304106605.db2.gz CVUMUGYSSLNOMH-HNNXBMFYSA-N -1 0 319.382 2.468 50 0 DEAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1 ZINC000006697936 181371690 /nfs/dbraw/zinc/37/16/90/181371690.db2.gz ILAFMISBPCZGNL-UHFFFAOYSA-N -1 0 321.354 2.219 50 0 DEAARM CCC[C@@H]1CN(C(=O)CCc2scnc2C)C[C@H]1C(=O)[O-] ZINC000091746405 193101010 /nfs/dbraw/zinc/10/10/10/193101010.db2.gz GDKWJPHQSXPUCF-VXGBXAGGSA-N -1 0 310.419 2.343 50 0 DEAARM C[C@H](CN(C)C(=O)/C=C\c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000221918277 201597271 /nfs/dbraw/zinc/59/72/71/201597271.db2.gz MJLJUQYLVKWAMC-JYESYGNLSA-N -1 0 321.764 2.180 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCOCC(F)(F)F ZINC000237967787 304140784 /nfs/dbraw/zinc/14/07/84/304140784.db2.gz JOAAREWBNGOVSY-DCAQKATOSA-N -1 0 323.311 2.200 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cnn2ccccc12 ZINC000261931086 304142526 /nfs/dbraw/zinc/14/25/26/304142526.db2.gz STJWGGMKNWNBCE-WHOFXGATSA-N -1 0 313.357 2.192 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCOCC(F)(F)F ZINC000299742485 304143602 /nfs/dbraw/zinc/14/36/02/304143602.db2.gz JOAAREWBNGOVSY-AXFHLTTASA-N -1 0 323.311 2.200 50 0 DEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCc1nccs1 ZINC000262479794 203305310 /nfs/dbraw/zinc/30/53/10/203305310.db2.gz DFINFFRVYSTUSL-OAHLLOKOSA-N -1 0 316.382 2.286 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000262584104 203339073 /nfs/dbraw/zinc/33/90/73/203339073.db2.gz GGYCACLWAOXURS-NWDGAFQWSA-N -1 0 312.329 2.008 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1ccsc1 ZINC000020009562 304152226 /nfs/dbraw/zinc/15/22/26/304152226.db2.gz WOHUBLYJKJIWLZ-AWEZNQCLSA-N -1 0 301.367 2.329 50 0 DEAARM Cc1nn(C)cc1C(=O)/C=C\c1cccc(OCCC(=O)[O-])c1 ZINC000096032850 193492130 /nfs/dbraw/zinc/49/21/30/193492130.db2.gz WWSYDVMXZYESSP-SREVYHEPSA-N -1 0 314.341 2.478 50 0 DEAARM CCC[C@H](C)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-] ZINC000095989877 193480741 /nfs/dbraw/zinc/48/07/41/193480741.db2.gz GWOIQKWVDRODJS-GXTWGEPZSA-N -1 0 307.390 2.491 50 0 DEAARM CCc1nnc2n1N=C(c1ccccc1)[C@H](CC(=O)[O-])S2 ZINC000008394145 181554066 /nfs/dbraw/zinc/55/40/66/181554066.db2.gz GITHDKQCEGKDFL-JTQLQIEISA-N -1 0 302.359 2.042 50 0 DEAARM O=C([O-])C[C@H](c1ccc(OCc2ccccc2)cc1)n1cnnn1 ZINC000012376532 181752685 /nfs/dbraw/zinc/75/26/85/181752685.db2.gz QVCHQAJCIJKGSP-MRXNPFEDSA-N -1 0 324.340 2.316 50 0 DEAARM COc1ccc(C(=O)[O-])c(OCC(=O)N[C@H]2CCCC[C@H]2C)c1 ZINC000013084276 181827180 /nfs/dbraw/zinc/82/71/80/181827180.db2.gz BGMOYRKTMXRTJN-RISCZKNCSA-N -1 0 321.373 2.467 50 0 DEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1nccc(C2CC2)n1 ZINC000530157975 284352353 /nfs/dbraw/zinc/35/23/53/284352353.db2.gz YPSFWOAFGGMKKA-UHFFFAOYSA-N -1 0 319.386 2.472 50 0 DEAARM CCCCN1C(=O)C[C@@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000019862999 182158638 /nfs/dbraw/zinc/15/86/38/182158638.db2.gz CSUOOXBTBJFALG-GFCCVEGCSA-N -1 0 307.371 2.405 50 0 DEAARM CC1CCN(C(=O)c2cccc(NC(=O)CCC(=O)[O-])c2)CC1 ZINC000020112848 182188360 /nfs/dbraw/zinc/18/83/60/182188360.db2.gz UQUAWGAGQZABDT-UHFFFAOYSA-N -1 0 318.373 2.362 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1-c1nc(-c2ccncc2)no1 ZINC000022464459 182323002 /nfs/dbraw/zinc/32/30/02/182323002.db2.gz IEFCSFQOTSOTSC-UHFFFAOYSA-N -1 0 316.342 2.170 50 0 DEAARM CCOc1ccc([C@@H]2Cn3nnc(C(=O)[O-])c3CO2)cc1Cl ZINC000098212707 193792025 /nfs/dbraw/zinc/79/20/25/193792025.db2.gz VIVZFZWFDRIQKD-LBPRGKRZSA-N -1 0 323.736 2.300 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1 ZINC000100685206 193802918 /nfs/dbraw/zinc/80/29/18/193802918.db2.gz XQKIMWNZIDYWMF-GJZGRUSLSA-N -1 0 306.325 2.180 50 0 DEAARM Cn1c2ccc(CNc3ccc(C(=O)[O-])cc3)cc2n(C)c1=O ZINC000032616930 182650881 /nfs/dbraw/zinc/65/08/81/182650881.db2.gz MYYBDOQAPQNZMB-UHFFFAOYSA-N -1 0 311.341 2.187 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(F)cc2Br)C1 ZINC000034940568 182745372 /nfs/dbraw/zinc/74/53/72/182745372.db2.gz RQOLVSJIXNFVTE-LURJTMIESA-N -1 0 302.099 2.026 50 0 DEAARM CCOC[C@@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000492117113 249002161 /nfs/dbraw/zinc/00/21/61/249002161.db2.gz INSRZNFTWLCBCC-BMWLXYDHSA-N -1 0 303.358 2.283 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(C2CC2)on1 ZINC000268960882 304206901 /nfs/dbraw/zinc/20/69/01/304206901.db2.gz YBZAITIOBMFNGP-CQSZACIVSA-N -1 0 312.325 2.204 50 0 DEAARM C[C@H](CN(C)C(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000042694290 183297388 /nfs/dbraw/zinc/29/73/88/183297388.db2.gz WURUKOAFYZVZKY-MRVPVSSYSA-N -1 0 300.152 2.242 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000268907815 207075939 /nfs/dbraw/zinc/07/59/39/207075939.db2.gz LVTYKLXGLCHZGA-HZPDHXFCSA-N -1 0 317.385 2.163 50 0 DEAARM CC(C)C(=O)N[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000058332378 184106604 /nfs/dbraw/zinc/10/66/04/184106604.db2.gz ARFJAJOBDMCIGZ-LBPRGKRZSA-N -1 0 324.808 2.422 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-n2ccnc2)cc1 ZINC000061718794 184185263 /nfs/dbraw/zinc/18/52/63/184185263.db2.gz JJLRVBFICWTFLD-UHFFFAOYSA-N -1 0 318.358 2.278 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2csc(-c3ccsc3)n2)C1 ZINC000062119011 184206759 /nfs/dbraw/zinc/20/67/59/184206759.db2.gz QRVNIWUFZLFXGR-QMMMGPOBSA-N -1 0 308.384 2.418 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(Br)c(F)c2)C1 ZINC000062119336 184206793 /nfs/dbraw/zinc/20/67/93/184206793.db2.gz ONTFIFWWMRRYIM-QMMMGPOBSA-N -1 0 316.126 2.135 50 0 DEAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3cccc(C)c3)cn12 ZINC000065198925 184314206 /nfs/dbraw/zinc/31/42/06/184314206.db2.gz CQGJAYFDCBUUCG-UHFFFAOYSA-N -1 0 302.359 2.147 50 0 DEAARM O=C([O-])c1cnc(/C=C/c2cnc(N3CCCC3)nc2)s1 ZINC000065593825 184370387 /nfs/dbraw/zinc/37/03/87/184370387.db2.gz OEOYIVDLILHTQN-ONEGZZNKSA-N -1 0 302.359 2.402 50 0 DEAARM CC(C)n1nccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000066248525 184398828 /nfs/dbraw/zinc/39/88/28/184398828.db2.gz FNGMUJWDXQJHAR-UHFFFAOYSA-N -1 0 305.363 2.141 50 0 DEAARM O=C([O-])c1ccc([C@H]2SC=C3Sc4nncn4N32)cc1 ZINC000020733520 304251114 /nfs/dbraw/zinc/25/11/14/304251114.db2.gz CCQQEWUPYFGEJS-SNVBAGLBSA-N -1 0 304.356 2.265 50 0 DEAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CCOc3ccccc3C2)C1 ZINC000316358434 257236943 /nfs/dbraw/zinc/23/69/43/257236943.db2.gz SICXDCPLAGXQIN-CHWSQXEVSA-N -1 0 303.358 2.299 50 0 DEAARM COc1ccccc1C[C@H](CNC(=O)[C@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000299741774 257256241 /nfs/dbraw/zinc/25/62/41/257256241.db2.gz FZRDUCGFHHDYPJ-ILXRZTDVSA-N -1 0 317.385 2.101 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000237962376 132560977 /nfs/dbraw/zinc/56/09/77/132560977.db2.gz SQHXEKLLHYXMOM-SUMWQHHRSA-N -1 0 317.385 2.404 50 0 DEAARM CC(C)c1noc(-c2ccnc(N(C)C[C@@H](C)C(=O)[O-])c2)n1 ZINC000263547787 132590871 /nfs/dbraw/zinc/59/08/71/132590871.db2.gz IJOSUIPIALLCAX-SNVBAGLBSA-N -1 0 304.350 2.412 50 0 DEAARM COc1ccc(C)cc1CC(=O)NCc1nc(C(=O)[O-])cs1 ZINC000262372289 145279122 /nfs/dbraw/zinc/27/91/22/145279122.db2.gz XOFHMIPYGKHDBM-UHFFFAOYSA-N -1 0 320.370 2.017 50 0 DEAARM Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])n1 ZINC000263060744 145322095 /nfs/dbraw/zinc/32/20/95/145322095.db2.gz SPYOYIYBAKNBIJ-ORIJERBGSA-N -1 0 319.405 2.163 50 0 DEAARM Cn1cc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c(C2CC2)n1 ZINC000263068228 145323023 /nfs/dbraw/zinc/32/30/23/145323023.db2.gz POYYMKCHZRRPSM-UHFFFAOYSA-N -1 0 314.345 2.317 50 0 DEAARM O=C([O-])c1ccccc1NC=Cc1nnnn1-c1ccccc1 ZINC000004347745 401726143 /nfs/dbraw/zinc/72/61/43/401726143.db2.gz PZGGHECYRIWRNM-ZHACJKMWSA-N -1 0 307.313 2.443 50 0 DEAARM Cc1ccc(/C=C\C(=O)[O-])cc1S(=O)(=O)NCc1ccco1 ZINC000006054610 401730978 /nfs/dbraw/zinc/73/09/78/401730978.db2.gz LESPOYQDPNGZPG-SREVYHEPSA-N -1 0 321.354 2.164 50 0 DEAARM O=C([O-])CSc1nnc(NC(=O)c2ccc(F)cc2)s1 ZINC000000040231 401687515 /nfs/dbraw/zinc/68/75/15/401687515.db2.gz VOYIHGKGFVIWEC-UHFFFAOYSA-N -1 0 313.335 2.106 50 0 DEAARM Cc1nn(-c2ccccc2)c2sc(C(=O)NCC(=O)[O-])cc12 ZINC000000041823 401687571 /nfs/dbraw/zinc/68/75/71/401687571.db2.gz RLCMSNHQUFJFEO-UHFFFAOYSA-N -1 0 315.354 2.210 50 0 DEAARM O=C([O-])c1nccnc1C(=O)NCc1csc2ccccc12 ZINC000000069502 401687729 /nfs/dbraw/zinc/68/77/29/401687729.db2.gz QANCOEGLOADGJY-UHFFFAOYSA-N -1 0 313.338 2.320 50 0 DEAARM CC(C)CN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000000392063 401696367 /nfs/dbraw/zinc/69/63/67/401696367.db2.gz NSQFSKFOSIGYAV-UHFFFAOYSA-N -1 0 305.783 2.071 50 0 DEAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)Cc2ccsc2)C1 ZINC000111239583 401702854 /nfs/dbraw/zinc/70/28/54/401702854.db2.gz LUQDZJOULHOCST-LLVKDONJSA-N -1 0 307.293 2.156 50 0 DEAARM Cn1cc(Cl)cc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000111240029 401703131 /nfs/dbraw/zinc/70/31/31/401703131.db2.gz WQAZJCAXBDMKDV-NSHDSACASA-N -1 0 324.686 2.158 50 0 DEAARM CCCCOC(=O)c1ccc(Nc2nnc(C)c(=O)[n-]2)cc1 ZINC000002553777 401714697 /nfs/dbraw/zinc/71/46/97/401714697.db2.gz DUGYNFWJTLVJKY-UHFFFAOYSA-N -1 0 302.334 2.174 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](Cc1cc(F)cc(F)c1)C(=O)[O-] ZINC000002569502 401715433 /nfs/dbraw/zinc/71/54/33/401715433.db2.gz CZBNUDVCRKSYDG-NSHDSACASA-N -1 0 301.289 2.485 50 0 DEAARM COc1ccc(/C=C/C(=O)N[C@@H](CCSC)C(=O)[O-])cc1 ZINC000002626436 401716093 /nfs/dbraw/zinc/71/60/93/401716093.db2.gz ARVMHKTZMCUMDI-LJLILKBBSA-N -1 0 309.387 2.031 50 0 DEAARM COc1cc(C=O)c(Cl)c(I)c1[O-] ZINC000002766690 401717789 /nfs/dbraw/zinc/71/77/89/401717789.db2.gz BKMNSJJCRQOYRU-UHFFFAOYSA-N -1 0 312.490 2.471 50 0 DEAARM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cc(F)ccc1F ZINC000008104760 401748144 /nfs/dbraw/zinc/74/81/44/401748144.db2.gz GBQVCBKGSNHHOT-UHFFFAOYSA-N -1 0 313.281 2.494 50 0 DEAARM CCOc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013171047 401797439 /nfs/dbraw/zinc/79/74/39/401797439.db2.gz WNVXNXUVWSOBHV-DNGMOHDESA-N -1 0 303.358 2.422 50 0 DEAARM O=c1[n-]c(=O)c(SCc2cc(Cl)ccc2Cl)n[nH]1 ZINC000013638527 401802397 /nfs/dbraw/zinc/80/23/97/401802397.db2.gz OUBXJHVATJQDKN-UHFFFAOYSA-N -1 0 304.158 2.057 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000013944179 401805220 /nfs/dbraw/zinc/80/52/20/401805220.db2.gz MPJNCCCVRNGQIZ-JTQLQIEISA-N -1 0 306.749 2.297 50 0 DEAARM CCn1nc(C)c(CN(C)C(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000008339602 401752062 /nfs/dbraw/zinc/75/20/62/401752062.db2.gz YULZLUPPXFZKSZ-KGLIPLIRSA-N -1 0 319.405 2.145 50 0 DEAARM O=C([N-][C@@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000008613617 401754245 /nfs/dbraw/zinc/75/42/45/401754245.db2.gz PEQMUUMLEPJMCU-SFOWXEAESA-N -1 0 309.791 2.161 50 0 DEAARM Cc1cn(C)c(CC(=O)NCc2ccc(F)cc2)c1C(=O)[O-] ZINC000008607608 401754624 /nfs/dbraw/zinc/75/46/24/401754624.db2.gz XWJJWSMXHXPSJU-UHFFFAOYSA-N -1 0 304.321 2.030 50 0 DEAARM Cc1cc(=O)n2cc(-c3ccc(Cl)cc3)nc2n1CC(=O)[O-] ZINC000012359739 401783627 /nfs/dbraw/zinc/78/36/27/401783627.db2.gz DYGHLYBPUYTONK-UHFFFAOYSA-N -1 0 317.732 2.209 50 0 DEAARM CC(C)[C@H](NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-] ZINC000028580255 401852733 /nfs/dbraw/zinc/85/27/33/401852733.db2.gz IIZHVUMESXTUPZ-ZDUSSCGKSA-N -1 0 313.419 2.372 50 0 DEAARM O=S(=O)([N-]c1cccnc1-n1cccn1)c1cccs1 ZINC000078556736 401856131 /nfs/dbraw/zinc/85/61/31/401856131.db2.gz RYIVNLFZMIRXHU-UHFFFAOYSA-N -1 0 306.372 2.130 50 0 DEAARM O=C(c1ccccc1)N1CCc2[n-]n(-c3ccccc3)c(=O)c2C1 ZINC000030822673 401865817 /nfs/dbraw/zinc/86/58/17/401865817.db2.gz VJYUFCYKCXFFHF-UHFFFAOYSA-N -1 0 319.364 2.364 50 0 DEAARM Cc1cnc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)s1 ZINC000032904485 401885641 /nfs/dbraw/zinc/88/56/41/401885641.db2.gz UKWNKVMXMUKNOK-UHFFFAOYSA-N -1 0 311.388 2.075 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2F)ccc1F ZINC000036437611 401905606 /nfs/dbraw/zinc/90/56/06/401905606.db2.gz YBOIWPGUKLZHTJ-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000037437249 401913980 /nfs/dbraw/zinc/91/39/80/401913980.db2.gz KEVRUXLXDBNLCW-MRVPVSSYSA-N -1 0 305.161 2.411 50 0 DEAARM CCOC(=O)c1[n-]nc2c1C(=O)N(c1ccc(C)cc1C)C2=O ZINC000085696825 401918265 /nfs/dbraw/zinc/91/82/65/401918265.db2.gz WBZILDZSJZSTDD-UHFFFAOYSA-N -1 0 313.313 2.004 50 0 DEAARM COc1ccc([C@H]2[C@@H](C(=O)[O-])CC(=O)N2C(C)C)cc1OC ZINC000045922916 401963338 /nfs/dbraw/zinc/96/33/38/401963338.db2.gz FKJHUXWRDKKLHI-NHYWBVRUSA-N -1 0 307.346 2.086 50 0 DEAARM Cc1ccc([C@@H](C(=O)NC2(C(=O)[O-])CCCC2)N(C)C)cc1 ZINC000095512520 402033796 /nfs/dbraw/zinc/03/37/96/402033796.db2.gz INLGLSOPUNMGPW-AWEZNQCLSA-N -1 0 304.390 2.111 50 0 DEAARM CS(=O)(=O)[N-]c1nnc(NCc2ccccc2Cl)s1 ZINC000095990274 402043742 /nfs/dbraw/zinc/04/37/42/402043742.db2.gz ZEYVNJXGTVDEOG-UHFFFAOYSA-N -1 0 318.811 2.175 50 0 DEAARM O=C([O-])CNc1ccccc1C(=O)NCCc1cccc(F)c1 ZINC000055035856 402074212 /nfs/dbraw/zinc/07/42/12/402074212.db2.gz BDCICYATNXFSGS-UHFFFAOYSA-N -1 0 316.332 2.295 50 0 DEAARM CCCc1nc(C(=O)Nc2c(C)nn(CC(=O)[O-])c2C)cs1 ZINC000055060897 402074874 /nfs/dbraw/zinc/07/48/74/402074874.db2.gz NYAIISOGIOOTRX-UHFFFAOYSA-N -1 0 322.390 2.246 50 0 DEAARM COCCN(Cc1ccccn1)C(=O)c1cc(F)c([O-])c(F)c1 ZINC000097140446 402110315 /nfs/dbraw/zinc/11/03/15/402110315.db2.gz KEBHGMBPUYSVKX-UHFFFAOYSA-N -1 0 322.311 2.354 50 0 DEAARM CCC(Nc1ccc(C(C)C)cc1)=C1C(=O)[N-]C(=O)NC1=O ZINC000101036713 402143281 /nfs/dbraw/zinc/14/32/81/402143281.db2.gz HGTTUQVDPGLLOZ-UHFFFAOYSA-N -1 0 301.346 2.252 50 0 DEAARM CN(Cc1[nH]nc2c1CCCC2)Cc1ncccc1C(=O)[O-] ZINC000067678845 402167064 /nfs/dbraw/zinc/16/70/64/402167064.db2.gz SEKXOCZHLKHVNC-UHFFFAOYSA-N -1 0 300.362 2.014 50 0 DEAARM O=C([O-])c1csc(CNC(=O)c2cc3c(cccc3F)[nH]2)n1 ZINC000124216480 402169508 /nfs/dbraw/zinc/16/95/08/402169508.db2.gz RHPZEKYPUQVUFP-UHFFFAOYSA-N -1 0 319.317 2.392 50 0 DEAARM CN(Cc1noc2c1CCCC2)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000216288498 402287473 /nfs/dbraw/zinc/28/74/73/402287473.db2.gz WENNWASQJXIWTM-UHFFFAOYSA-N -1 0 324.388 2.366 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCc1cc(Cl)no1 ZINC000218140655 402294910 /nfs/dbraw/zinc/29/49/10/402294910.db2.gz SLWVQWKZDBDDFQ-LBPRGKRZSA-N -1 0 322.748 2.073 50 0 DEAARM Cc1cn(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc12 ZINC000225456283 402317825 /nfs/dbraw/zinc/31/78/25/402317825.db2.gz SBGRVVHSHRERCH-ZDUSSCGKSA-N -1 0 300.358 2.273 50 0 DEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000236913856 402388213 /nfs/dbraw/zinc/38/82/13/402388213.db2.gz LDBIDFFRPDWEID-KBPBESRZSA-N -1 0 318.417 2.145 50 0 DEAARM C/C(=C/C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000236628493 402369336 /nfs/dbraw/zinc/36/93/36/402369336.db2.gz UMLJHPBZABKQGD-KJJQSCHISA-N -1 0 309.749 2.055 50 0 DEAARM Cc1cc(CNC(=O)C[C@@H](CC(=O)[O-])c2cccs2)n(C)n1 ZINC000226750946 402330084 /nfs/dbraw/zinc/33/00/84/402330084.db2.gz HRZBIYVNMQXVDB-NSHDSACASA-N -1 0 321.402 2.055 50 0 DEAARM COCc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000237173071 402397923 /nfs/dbraw/zinc/39/79/23/402397923.db2.gz NDRFLEHXWZCYTE-LSDHHAIUSA-N -1 0 305.374 2.340 50 0 DEAARM COc1cc(C2(C(=O)N(C)CCCC(=O)[O-])CC2)ccc1C ZINC000237306118 402403516 /nfs/dbraw/zinc/40/35/16/402403516.db2.gz MELJGSBFWZUBGN-UHFFFAOYSA-N -1 0 305.374 2.358 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)COc2ccc(F)cc2)c2ccccc21 ZINC000177476074 402406610 /nfs/dbraw/zinc/40/66/10/402406610.db2.gz IGHDGQYKSYFQSK-AWEZNQCLSA-N -1 0 315.300 2.420 50 0 DEAARM Cc1ccc([C@H](NC(=O)CN2CCC[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000237638080 402416676 /nfs/dbraw/zinc/41/66/76/402416676.db2.gz ALPXXHDRXFFLLF-WBVHZDCISA-N -1 0 316.401 2.111 50 0 DEAARM O=C([O-])C1CCN(C(=O)C[C@H]2OCCc3ccccc32)CC1 ZINC000238023501 402432613 /nfs/dbraw/zinc/43/26/13/402432613.db2.gz OZBBBGTVHMVUOO-OAHLLOKOSA-N -1 0 303.358 2.014 50 0 DEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000238175361 402440020 /nfs/dbraw/zinc/44/00/20/402440020.db2.gz UIJFUXFKZXTTHK-VHSXEESVSA-N -1 0 301.264 2.400 50 0 DEAARM Cc1oc(CN(C)C(=O)CCC2CCOCC2)cc1C(=O)[O-] ZINC000262486668 402725863 /nfs/dbraw/zinc/72/58/63/402725863.db2.gz LJBVLBNQOCLHEQ-UHFFFAOYSA-N -1 0 309.362 2.451 50 0 DEAARM C[C@@H](C(=O)[O-])N(C(=O)c1cc(F)cc2cccnc21)C1CC1 ZINC000262834671 402734866 /nfs/dbraw/zinc/73/48/66/402734866.db2.gz YJLYEIKRJPPFAS-VIFPVBQESA-N -1 0 302.305 2.452 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CC[C@@H](C3CCOCC3)C2)cc1 ZINC000263558298 402781700 /nfs/dbraw/zinc/78/17/00/402781700.db2.gz AEWXUBRGUZHPEJ-OAHLLOKOSA-N -1 0 303.358 2.274 50 0 DEAARM CC(C)(NC(=O)Cc1ccc(C(=O)[O-])cc1)c1nccs1 ZINC000263355383 402761797 /nfs/dbraw/zinc/76/17/97/402761797.db2.gz RKORUIBGLYBNBC-UHFFFAOYSA-N -1 0 304.371 2.435 50 0 DEAARM C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000315184800 404005840 /nfs/dbraw/zinc/00/58/40/404005840.db2.gz BPUVPHLVKKOIEA-SNVBAGLBSA-N -1 0 320.370 2.100 50 0 DEAARM CCO[C@H]1C[C@@](NC(=O)c2ccc(Cl)o2)(C(=O)[O-])C1(C)C ZINC000193047041 286505506 /nfs/dbraw/zinc/50/55/06/286505506.db2.gz RRIPWZAZOITXLN-LKFCYVNXSA-N -1 0 315.753 2.321 50 0 DEAARM CC(=O)Nc1cccc(CC(=O)N(CCC(=O)[O-])CC(C)C)c1 ZINC000425247490 405263157 /nfs/dbraw/zinc/26/31/57/405263157.db2.gz NYKHWJXOMSCISS-UHFFFAOYSA-N -1 0 320.389 2.147 50 0 DEAARM O=C([O-])CC1(NC(=O)c2cnc(C3CC3)nc2)CCCCC1 ZINC000426395973 405356967 /nfs/dbraw/zinc/35/69/67/405356967.db2.gz QHIGMEKMKQVRNP-UHFFFAOYSA-N -1 0 303.362 2.261 50 0 DEAARM CSCC[C@@H](NC(=O)c1ccc(C)n1C(F)F)C(=O)[O-] ZINC000426523728 405366748 /nfs/dbraw/zinc/36/67/48/405366748.db2.gz UVRKOGQWKNYTMC-MRVPVSSYSA-N -1 0 306.334 2.128 50 0 DEAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000014000510 292517673 /nfs/dbraw/zinc/51/76/73/292517673.db2.gz FOOHABSZVAISCF-RISCZKNCSA-N -1 0 311.765 2.351 50 0 DEAARM Cc1nnsc1C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000131134152 196142263 /nfs/dbraw/zinc/14/22/63/196142263.db2.gz RPTDEBNSEUPSGO-UHFFFAOYSA-N -1 0 305.359 2.461 50 0 DEAARM O=C([O-])C1(NC(=O)c2cc3ccccc3s2)CCOCC1 ZINC000131777749 196198314 /nfs/dbraw/zinc/19/83/14/196198314.db2.gz HYNISBFTIKMJRV-UHFFFAOYSA-N -1 0 305.355 2.265 50 0 DEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)c1 ZINC000072242951 418489757 /nfs/dbraw/zinc/48/97/57/418489757.db2.gz WJCXGCZHAXJUAZ-UHFFFAOYSA-N -1 0 317.370 2.076 50 0 DEAARM Cc1cccc(SCCCCC(=O)[N-]S(C)(=O)=O)c1 ZINC000408518718 227237875 /nfs/dbraw/zinc/23/78/75/227237875.db2.gz WEOZFEXCFMMELF-UHFFFAOYSA-N -1 0 301.433 2.333 50 0 DEAARM CCn1cc(C(=O)NC2CCC(C(=O)[O-])CC2)c(C(C)C)n1 ZINC000299740871 229376714 /nfs/dbraw/zinc/37/67/14/229376714.db2.gz BVNPQDBLZQKWMY-UHFFFAOYSA-N -1 0 307.394 2.400 50 0 DEAARM CC(C)(C)CCNC(=O)c1sccc1[N-]S(C)(=O)=O ZINC000049216183 424836015 /nfs/dbraw/zinc/83/60/15/424836015.db2.gz NJTKDEOKCUFNRK-UHFFFAOYSA-N -1 0 304.437 2.286 50 0 DEAARM Cc1ccc(NC(=O)c2c[n-]n3c2nc(C)cc3=O)c(F)c1 ZINC000102905424 424848168 /nfs/dbraw/zinc/84/81/68/424848168.db2.gz INWHFCWREKLLCG-UHFFFAOYSA-N -1 0 300.293 2.031 50 0 DEAARM CCn1ccc(CC(=O)Nc2cc(C(=O)[O-])c(C)cc2C)n1 ZINC000652067001 425176515 /nfs/dbraw/zinc/17/65/15/425176515.db2.gz GFLHHQPRLZGJRS-UHFFFAOYSA-N -1 0 301.346 2.399 50 0 DEAARM CCC(CC)(CNC(=O)c1cccc2c1OCCCO2)C(=O)[O-] ZINC000652064293 425176691 /nfs/dbraw/zinc/17/66/91/425176691.db2.gz KFCGZCVGHYSELG-UHFFFAOYSA-N -1 0 321.373 2.469 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000653331785 425464553 /nfs/dbraw/zinc/46/45/53/425464553.db2.gz WKJXHLHEGWVUCK-NILFDRSVSA-N -1 0 303.358 2.375 50 0 DEAARM CC1(C)CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@@H]1c1cccs1 ZINC000663156828 425808566 /nfs/dbraw/zinc/80/85/66/425808566.db2.gz NAHGPPNARUWQRC-GFCCVEGCSA-N -1 0 317.370 2.460 50 0 DEAARM COc1ccc(C)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004197507 295106658 /nfs/dbraw/zinc/10/66/58/295106658.db2.gz XKAKQQOHKFSFDM-PKIAMQTDSA-N -1 0 301.342 2.465 50 0 DEAARM COc1ccsc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237116520 295428456 /nfs/dbraw/zinc/42/84/56/295428456.db2.gz OLHIKMKICQPJPJ-LBPRGKRZSA-N -1 0 317.366 2.408 50 0 DEAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)CCC(=O)N1CCCCCC1 ZINC000426698189 300775733 /nfs/dbraw/zinc/77/57/33/300775733.db2.gz HCTGHXCBGYOXRC-QGZVFWFLSA-N -1 0 324.421 2.025 50 0 DEAARM Cc1c2cc(F)ccc2sc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268975802 301017137 /nfs/dbraw/zinc/01/71/37/301017137.db2.gz JOKNPNMVBTVIOB-NSHDSACASA-N -1 0 323.345 2.274 50 0 DEAARM CCCC[C@@H](CC(=O)[O-])NC(=O)c1nn(C)c(C)c1Cl ZINC000534577305 334288068 /nfs/dbraw/zinc/28/80/68/334288068.db2.gz MAJZXVQKYXPQSE-VIFPVBQESA-N -1 0 301.774 2.145 50 0 DEAARM Cc1oc(CNC(=O)[C@H]2OCCc3ccccc32)cc1C(=O)[O-] ZINC000299745085 534545068 /nfs/dbraw/zinc/54/50/68/534545068.db2.gz WBKZTJZOPPUZOF-HNNXBMFYSA-N -1 0 315.325 2.216 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262486110 534858368 /nfs/dbraw/zinc/85/83/68/534858368.db2.gz VLAQCQYWFASYQL-AWEZNQCLSA-N -1 0 321.421 2.022 50 0 DEAARM CC(=O)c1ccc(NC(=O)NC2CCC(C(=O)[O-])CC2)nc1 ZINC000263075364 534863445 /nfs/dbraw/zinc/86/34/45/534863445.db2.gz QNIMILTUCJSZSN-UHFFFAOYSA-N -1 0 305.334 2.049 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)COCCc1ccccc1 ZINC000237926469 527595437 /nfs/dbraw/zinc/59/54/37/527595437.db2.gz GFILPRJUGXMEOO-INIZCTEOSA-N -1 0 319.401 2.492 50 0 DEAARM CC(C)C[C@H](NC(=O)N1CC(Oc2ccc(F)cc2)C1)C(=O)[O-] ZINC000426719810 528564549 /nfs/dbraw/zinc/56/45/49/528564549.db2.gz GAPGLBMSOWHKGW-AWEZNQCLSA-N -1 0 324.352 2.098 50 0 DEAARM COC(=O)C[C@H](c1ccccc1)c1c(=O)nc2ccccn2c1[O-] ZINC000205981436 563592968 /nfs/dbraw/zinc/59/29/68/563592968.db2.gz WEXJBEPSFQOCNA-CYBMUJFWSA-N -1 0 324.336 2.095 50 0 DEAARM O=C([O-])[C@@H](c1cnn(Cc2ccccc2)c1)N1CCSCC1 ZINC000095356396 684052724 /nfs/dbraw/zinc/05/27/24/684052724.db2.gz UJXFQEPWEKPRGQ-OAHLLOKOSA-N -1 0 317.414 2.106 50 0 DEAARM COc1ccncc1NC(=O)c1cc(=O)n(-c2ccc(C)cc2)[n-]1 ZINC000078964538 185135562 /nfs/dbraw/zinc/13/55/62/185135562.db2.gz AHDPRQQLEPZQTO-UHFFFAOYSA-N -1 0 324.340 2.130 50 0 DEAARM CCc1c(C(=O)[O-])c(=O)cc(C)n1Cc1ccccc1OC ZINC000299777936 529491528 /nfs/dbraw/zinc/49/15/28/529491528.db2.gz FGKYGNOMJFBOTP-UHFFFAOYSA-N -1 0 301.342 2.474 50 0 DEAARM O=C([O-])CC1CCN(C(=O)c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000095389913 185351328 /nfs/dbraw/zinc/35/13/28/185351328.db2.gz BOBUBHKBDUIPNW-UHFFFAOYSA-N -1 0 313.357 2.404 50 0 DEAARM CC[C@H](C)n1cnc(S(=O)(=O)[N-]c2n[nH]cc2SC)c1 ZINC000095466387 185371933 /nfs/dbraw/zinc/37/19/33/185371933.db2.gz KADWDZGGYKHCNM-QMMMGPOBSA-N -1 0 315.424 2.100 50 0 DEAARM CN(CCc1ccccc1)C(=O)c1cccc(OCC(=O)[O-])c1 ZINC000095464116 185371505 /nfs/dbraw/zinc/37/15/05/185371505.db2.gz IUKNDULCXHUVPT-UHFFFAOYSA-N -1 0 313.353 2.465 50 0 DEAARM CC[C@@H](NC=C1C(=O)N(c2ccc(Cl)cc2)N=C1C)C(=O)[O-] ZINC000095470966 185372598 /nfs/dbraw/zinc/37/25/98/185372598.db2.gz UBHYXVBWPGSTLS-YQCJOKCJSA-N -1 0 321.764 2.399 50 0 DEAARM 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CC[C@H](C)[C@@H](NC(=O)NCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000006440768 181341233 /nfs/dbraw/zinc/34/12/33/181341233.db2.gz LUFXZELGPZHWKQ-IINYFYTJSA-N -1 0 324.377 2.002 50 0 DEAARM CCn1ncc(Cl)c1C(=O)N1NC(C)=C[C@]1(O)C(F)(F)F ZINC000006490072 181344841 /nfs/dbraw/zinc/34/48/41/181344841.db2.gz MPJSLPGYSZMRSO-JTQLQIEISA-N -1 0 324.690 2.029 50 0 DEAARM COc1ccc(Cl)cc1S(=O)(=O)NCc1cccnc1 ZINC000006485709 181345143 /nfs/dbraw/zinc/34/51/43/181345143.db2.gz QPRBIGQDZZYWME-UHFFFAOYSA-N -1 0 312.778 2.222 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000263542071 304111732 /nfs/dbraw/zinc/11/17/32/304111732.db2.gz RLPAQESLCIZCBG-NSHDSACASA-N -1 0 317.263 2.203 50 0 DEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC(C)C)[nH]c2C[C@H]1C ZINC000001070568 291302502 /nfs/dbraw/zinc/30/25/02/291302502.db2.gz KQXQDEKIQCKIGN-KCJUWKMLSA-N -1 0 307.346 2.052 50 0 DEAARM CC(C)c1cc(C(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)[nH]n1 ZINC000675980823 541401060 /nfs/dbraw/zinc/40/10/60/541401060.db2.gz 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Cn1cc(/C=C\C(=O)[N-]S(=O)(=O)CC2CC2)c2ccccc21 ZINC000221809622 201594086 /nfs/dbraw/zinc/59/40/86/201594086.db2.gz KYVLLHPMZMNVLH-HJWRWDBZSA-N -1 0 318.398 2.048 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)no2)C1 ZINC000261721420 203101196 /nfs/dbraw/zinc/10/11/96/203101196.db2.gz QEVSMNWMHBFIGV-GFCCVEGCSA-N -1 0 300.314 2.278 50 0 DEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(F)cc1OCC(F)(F)F ZINC000262416521 203287270 /nfs/dbraw/zinc/28/72/70/203287270.db2.gz PFKGVQZHRARKIK-YUMQZZPRSA-N -1 0 321.226 2.426 50 0 DEAARM CCN(CCC(=O)[O-])C(=O)COc1ccc(F)c(Cl)c1 ZINC000262649895 203365706 /nfs/dbraw/zinc/36/57/06/203365706.db2.gz RRINBNDSVHRYGY-UHFFFAOYSA-N -1 0 303.717 2.181 50 0 DEAARM COCc1cc(NC(=O)c2oc(C)nc2C)cc(C(=O)[O-])c1 ZINC000263116995 203438189 /nfs/dbraw/zinc/43/81/89/203438189.db2.gz QOEFGSTYKMVFOK-UHFFFAOYSA-N -1 0 304.302 2.388 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(C(F)(F)F)ccc2F)C1 ZINC000094595473 193381362 /nfs/dbraw/zinc/38/13/62/193381362.db2.gz 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182261505 /nfs/dbraw/zinc/26/15/05/182261505.db2.gz VGJYRTMENKZJIN-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)c[nH]1 ZINC000022160666 182312059 /nfs/dbraw/zinc/31/20/59/182312059.db2.gz PNUQHSLYJPEMID-UHFFFAOYSA-N -1 0 300.723 2.167 50 0 DEAARM O=C([O-])Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(F)cc21 ZINC000036364992 182819725 /nfs/dbraw/zinc/81/97/25/182819725.db2.gz CWWZIHFKLQMWLL-HNNXBMFYSA-N -1 0 320.320 2.087 50 0 DEAARM CC[N-]S(=O)(=O)c1c(F)cc(F)cc1Br ZINC000037022060 182861934 /nfs/dbraw/zinc/86/19/34/182861934.db2.gz SKNHPFIBEAWIKZ-UHFFFAOYSA-N -1 0 300.124 2.026 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2nc3ccccc3s2)C1 ZINC000492232201 249020484 /nfs/dbraw/zinc/02/04/84/249020484.db2.gz OTTVPHWCHVJQAK-OMMCCPJFSA-N -1 0 302.355 2.243 50 0 DEAARM CCc1nc(Cn2nc(C(=O)[O-])c3ccccc3c2=O)cs1 ZINC000040489543 183079396 /nfs/dbraw/zinc/07/93/96/183079396.db2.gz HWUKKLTYJPIHMX-UHFFFAOYSA-N -1 0 315.354 2.162 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)COc1ccccc1 ZINC000089845746 304206327 /nfs/dbraw/zinc/20/63/27/304206327.db2.gz ZBWWKGCSSWOGPP-MRXNPFEDSA-N -1 0 311.337 2.104 50 0 DEAARM C[C@H](NC(=O)c1ccc([O-])c(Cl)c1)C(=O)NC1CCCC1 ZINC000058202495 184087658 /nfs/dbraw/zinc/08/76/58/184087658.db2.gz ZNQQCTORUAWARN-VIFPVBQESA-N -1 0 310.781 2.223 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000269128477 207263158 /nfs/dbraw/zinc/26/31/58/207263158.db2.gz AIGKGDUEUCDGOM-CYBMUJFWSA-N -1 0 314.341 2.207 50 0 DEAARM C[C@H](NC(=O)c1cccc(-c2ccccc2F)c1)c1nnn[n-]1 ZINC000065428588 184343476 /nfs/dbraw/zinc/34/34/76/184343476.db2.gz LEEKJZOJUMFMGB-JTQLQIEISA-N -1 0 311.320 2.497 50 0 DEAARM C/C(=C\c1ccco1)[C@@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065460631 184348980 /nfs/dbraw/zinc/34/89/80/184348980.db2.gz AFNNSGVTFXKTMX-LZGFCCKTSA-N -1 0 315.329 2.398 50 0 DEAARM O=S(=O)([N-]c1ccc(Br)cn1)c1cccnc1 ZINC000065563357 184366714 /nfs/dbraw/zinc/36/67/14/184366714.db2.gz CPJSOAUMWNLDQJ-UHFFFAOYSA-N -1 0 314.164 2.040 50 0 DEAARM O=C([O-])c1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1 ZINC000002708366 304247889 /nfs/dbraw/zinc/24/78/89/304247889.db2.gz CNNGSOKXZWNOFG-AWEZNQCLSA-N -1 0 311.293 2.105 50 0 DEAARM COc1cc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])ccc1OC(C)C ZINC000299748981 533128106 /nfs/dbraw/zinc/12/81/06/533128106.db2.gz ISZJCABCZXXMAK-WCFLWFBJSA-N -1 0 321.373 2.380 50 0 DEAARM CC(=O)c1ccccc1S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000000136351 257266483 /nfs/dbraw/zinc/26/64/83/257266483.db2.gz PZDMHBOCYKZMGI-UHFFFAOYSA-N -1 0 304.323 2.420 50 0 DEAARM COc1c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c(C)nn1C ZINC000121109603 195294254 /nfs/dbraw/zinc/29/42/54/195294254.db2.gz LFWRPVKQCDOLCG-UHFFFAOYSA-N -1 0 318.358 2.419 50 0 DEAARM C[C@@H](C(=O)NC1(CC(=O)[O-])CCCCC1)n1cc(Cl)cn1 ZINC000299764145 533240953 /nfs/dbraw/zinc/24/09/53/533240953.db2.gz UJHRHEUKRQJJLS-JTQLQIEISA-N -1 0 313.785 2.391 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)cc1 ZINC000263580518 132591909 /nfs/dbraw/zinc/59/19/09/132591909.db2.gz WAFLZCJPZQKSCY-OAHLLOKOSA-N -1 0 303.358 2.416 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000292477 292013876 /nfs/dbraw/zinc/01/38/76/292013876.db2.gz TZABEFQPIFZSDQ-QWHCGFSZSA-N -1 0 305.330 2.303 50 0 DEAARM CCc1nc(CNC(=O)c2ccc(C(=O)[O-])c(C)n2)cs1 ZINC000262151916 145265972 /nfs/dbraw/zinc/26/59/72/145265972.db2.gz GBXAGZADLCMGCD-UHFFFAOYSA-N -1 0 305.359 2.037 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000262195037 145268930 /nfs/dbraw/zinc/26/89/30/145268930.db2.gz TYAUVERVUNXMSS-AWEZNQCLSA-N -1 0 306.343 2.340 50 0 DEAARM CC[C@@](CNC(=O)[C@H]1CCCCO1)(C(=O)[O-])c1ccccc1 ZINC000262955041 145313858 /nfs/dbraw/zinc/31/38/58/145313858.db2.gz INRWNKRGAORNCC-PBHICJAKSA-N -1 0 305.374 2.104 50 0 DEAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Cc1cc(F)c(F)cc1F ZINC000263226889 145338438 /nfs/dbraw/zinc/33/84/38/145338438.db2.gz QDAGMKATCSIUHX-BDAKNGLRSA-N -1 0 315.291 2.358 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccc3[nH]c(C)nc3c2)nc1C ZINC000349028507 146341422 /nfs/dbraw/zinc/34/14/22/146341422.db2.gz APLHYJHYSAGCPQ-UHFFFAOYSA-N -1 0 319.390 2.197 50 0 DEAARM COc1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1Cl ZINC000003265561 401723447 /nfs/dbraw/zinc/72/34/47/401723447.db2.gz FTRWEQRQUIEFBG-UHFFFAOYSA-N -1 0 307.693 2.089 50 0 DEAARM O=C(NC1CC1)c1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000007325515 401739093 /nfs/dbraw/zinc/73/90/93/401739093.db2.gz ZTPKGJSRPDDAGI-UHFFFAOYSA-N -1 0 322.411 2.441 50 0 DEAARM NS(=O)(=O)c1ccccc1Sc1ccccc1C(=O)[O-] ZINC000000088109 401687863 /nfs/dbraw/zinc/68/78/63/401687863.db2.gz JLPPTVZTZNTYGH-UHFFFAOYSA-N -1 0 309.368 2.183 50 0 DEAARM O=C([O-])[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000113634 401688189 /nfs/dbraw/zinc/68/81/89/401688189.db2.gz LWYYYWNLCLHWQV-VXGBXAGGSA-N -1 0 305.330 2.287 50 0 DEAARM CCOc1ccc(NC(=O)[C@H](CC(=O)[O-])[C@@H]2CCCO2)cc1 ZINC000000141429 401688499 /nfs/dbraw/zinc/68/84/99/401688499.db2.gz NUOVTMVEJZEPSN-KGLIPLIRSA-N -1 0 307.346 2.294 50 0 DEAARM O=C([N-]n1cnc2ccccc2c1=O)c1c(F)cccc1F ZINC000000183320 401689610 /nfs/dbraw/zinc/68/96/10/401689610.db2.gz INGNBBPACJLTRK-UHFFFAOYSA-N -1 0 301.252 2.059 50 0 DEAARM COc1cc(-c2oc3cc([O-])cc(O)c3c(=O)c2O)ccc1O ZINC000000517261 401700027 /nfs/dbraw/zinc/70/00/27/401700027.db2.gz IZQSVPBOUDKVDZ-UHFFFAOYSA-N -1 0 316.265 2.291 50 0 in-man,metabolite DEAARM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)Cc2ccsc2)C1 ZINC000111239584 401703117 /nfs/dbraw/zinc/70/31/17/401703117.db2.gz LUQDZJOULHOCST-NSHDSACASA-N -1 0 307.293 2.156 50 0 DEAARM CC(=O)N1CCc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000001094912 401704668 /nfs/dbraw/zinc/70/46/68/401704668.db2.gz VOFRMKNBOSHELM-UHFFFAOYSA-N -1 0 322.411 2.458 50 0 DEAARM COc1ccc(CCNC(=O)N[C@@H](CC(C)C)C(=O)[O-])cc1 ZINC000002106421 401712232 /nfs/dbraw/zinc/71/22/32/401712232.db2.gz SYHZJGKGBLQNDG-AWEZNQCLSA-N -1 0 308.378 2.036 50 0 biogenic DEAARM C[C@@H](O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002628595 401715894 /nfs/dbraw/zinc/71/58/94/401715894.db2.gz UEQADXFKBJNFCS-SNVBAGLBSA-N -1 0 321.354 2.239 50 0 DEAARM CCCc1cc(C(=O)OCC)c(NC(=O)/C=C/C(=O)[O-])s1 ZINC000002767841 401718029 /nfs/dbraw/zinc/71/80/29/401718029.db2.gz HZIREAUKVMPFQQ-VOTSOKGWSA-N -1 0 311.359 2.457 50 0 DEAARM CS(=O)(=O)[N-]c1ccn(Cc2ccc(F)cc2Cl)n1 ZINC000002804166 401718862 /nfs/dbraw/zinc/71/88/62/401718862.db2.gz DGINVEBNGYMAQM-UHFFFAOYSA-N -1 0 303.746 2.095 50 0 DEAARM COc1ccc(C(=O)Nc2nc(CC(=O)[O-])cs2)cc1OC ZINC000013406158 401799206 /nfs/dbraw/zinc/79/92/06/401799206.db2.gz IMLACUXSWYHVFF-UHFFFAOYSA-N -1 0 322.342 2.040 50 0 biogenic,in-vitro DEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1ccc(-c2ccno2)cc1 ZINC000013642349 401802297 /nfs/dbraw/zinc/80/22/97/401802297.db2.gz WZLMATZMGMSCGG-UHFFFAOYSA-N -1 0 312.285 2.026 50 0 DEAARM COc1ccccc1CCNC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013737117 401804104 /nfs/dbraw/zinc/80/41/04/401804104.db2.gz GKRNGMBBPQXUCW-KBPBESRZSA-N -1 0 303.358 2.021 50 0 DEAARM CCO[N-]C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000014199307 401808997 /nfs/dbraw/zinc/80/89/97/401808997.db2.gz UXBJOMOQVQHEMG-UHFFFAOYSA-N -1 0 323.352 2.126 50 0 DEAARM COCc1cc(=O)n2nc(SCc3ccccc3)[n-]c2n1 ZINC000008670509 401754388 /nfs/dbraw/zinc/75/43/88/401754388.db2.gz NFLRRLUDQZJOAU-UHFFFAOYSA-N -1 0 302.359 2.269 50 0 DEAARM COc1ccc(OCC(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000008908686 401757759 /nfs/dbraw/zinc/75/77/59/401757759.db2.gz PLODSLKRHIJWSQ-UHFFFAOYSA-N -1 0 315.325 2.089 50 0 DEAARM COc1ccccc1[N-]S(=O)(=O)c1c[nH]c2ncccc12 ZINC000075535499 401762019 /nfs/dbraw/zinc/76/20/19/401762019.db2.gz KGIFONFQVNJKBN-UHFFFAOYSA-N -1 0 303.343 2.372 50 0 DEAARM COC(=O)COc1ccc(Br)cc1/C=C/C(=O)[O-] ZINC000012394654 401784654 /nfs/dbraw/zinc/78/46/54/401784654.db2.gz ZJKGAUYCGJSZNO-GORDUTHDSA-N -1 0 315.119 2.099 50 0 DEAARM CC[C@H](C)NC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000012403796 401784926 /nfs/dbraw/zinc/78/49/26/401784926.db2.gz YPXCDQBRURNULR-NSHDSACASA-N -1 0 306.362 2.408 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1 ZINC000013059762 401795855 /nfs/dbraw/zinc/79/58/55/401795855.db2.gz DFMMHMGOLSUWIF-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM Cc1ncsc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000021037757 401825190 /nfs/dbraw/zinc/82/51/90/401825190.db2.gz VPCGRKIDAMEPRX-LBPRGKRZSA-N -1 0 302.355 2.103 50 0 DEAARM Cc1oc2ncn(Cc3ccc(F)cc3)c(=O)c2c1C(=O)[O-] ZINC000026442213 401840473 /nfs/dbraw/zinc/84/04/73/401840473.db2.gz YDQXBBKSWJZXFK-UHFFFAOYSA-N -1 0 302.261 2.184 50 0 DEAARM O=C([O-])c1ccc2c(c1)CN(Cc1cccs1)C(=O)CO2 ZINC000085345155 401914264 /nfs/dbraw/zinc/91/42/64/401914264.db2.gz ZQQIAFDIRXHGFM-UHFFFAOYSA-N -1 0 303.339 2.368 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000136106376 401960583 /nfs/dbraw/zinc/96/05/83/401960583.db2.gz QQABAQILEOXIRF-GFCCVEGCSA-N -1 0 309.337 2.308 50 0 DEAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000136133603 401961218 /nfs/dbraw/zinc/96/12/18/401961218.db2.gz RJCXORAOTRVDHJ-QEJZJMRPSA-N -1 0 303.358 2.122 50 0 DEAARM COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136164093 401962016 /nfs/dbraw/zinc/96/20/16/401962016.db2.gz NKFBHZIZMGFKHD-FPMFFAJLSA-N -1 0 303.358 2.122 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 ZINC000089774576 401962401 /nfs/dbraw/zinc/96/24/01/401962401.db2.gz OHGOJAORVFKTQT-ZDUSSCGKSA-N -1 0 323.776 2.074 50 0 DEAARM O=C([O-])c1csc(CNC(=O)c2cccc3cc[nH]c32)n1 ZINC000090932313 401988686 /nfs/dbraw/zinc/98/86/86/401988686.db2.gz FGPSOMNQWPCHHB-UHFFFAOYSA-N -1 0 301.327 2.253 50 0 DEAARM Cc1nc2c(-c3ccccc3)c(=O)[nH]n2c(C)c1CCC(=O)[O-] ZINC000049538561 402019416 /nfs/dbraw/zinc/01/94/16/402019416.db2.gz JZPLGOWUGVJWQS-UHFFFAOYSA-N -1 0 311.341 2.324 50 0 DEAARM CN(Cc1ccccc1Br)C(=O)C1(C(=O)[O-])CC1 ZINC000050291563 402027356 /nfs/dbraw/zinc/02/73/56/402027356.db2.gz DTECFCUZUXKNGD-UHFFFAOYSA-N -1 0 312.163 2.272 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)Nc1nc(Cl)nc2nc[nH]c21 ZINC000095477703 402033562 /nfs/dbraw/zinc/03/35/62/402033562.db2.gz FNEBDBOHNCPWTR-VIFPVBQESA-N -1 0 317.736 2.114 50 0 DEAARM Cn1cc(CC(=O)N[C@@H](CC(=O)[O-])C2CC2)c2ccccc21 ZINC000095970314 402038727 /nfs/dbraw/zinc/03/87/27/402038727.db2.gz DYYRAANZFFQYOH-AWEZNQCLSA-N -1 0 300.358 2.090 50 0 DEAARM Cc1ccc2[nH]c(C(=O)N3CCC[C@H](c4nnn[n-]4)C3)cc2c1C ZINC000095976968 402040127 /nfs/dbraw/zinc/04/01/27/402040127.db2.gz XSYGOJBJUDISQZ-LBPRGKRZSA-N -1 0 324.388 2.318 50 0 DEAARM Cc1ccc(C(=O)NC2(C(=O)[O-])Cc3ccccc3C2)c(O)c1 ZINC000095977021 402040612 /nfs/dbraw/zinc/04/06/12/402040612.db2.gz WAZCTAWWOLUMHT-UHFFFAOYSA-N -1 0 311.337 2.053 50 0 DEAARM COc1ccc(OC)c(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000096032396 402047824 /nfs/dbraw/zinc/04/78/24/402047824.db2.gz TYCCZAPHLYASAW-DEBLGDTFSA-N -1 0 319.357 2.183 50 0 DEAARM Cn1cc(/C=C(\C(=O)C(=O)[O-])c2ccc3ccccc3n2)cn1 ZINC000096297766 402076834 /nfs/dbraw/zinc/07/68/34/402076834.db2.gz MWZPLMSZIROEQB-JYRVWZFOSA-N -1 0 307.309 2.163 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000097035351 402100860 /nfs/dbraw/zinc/10/08/60/402100860.db2.gz LQKCIMHCIIJFPW-SRVKXCTJSA-N -1 0 309.312 2.392 50 0 DEAARM Cc1nc(CCCn2ccnc2)n(-c2ccccc2C(=O)[O-])n1 ZINC000096141966 402062175 /nfs/dbraw/zinc/06/21/75/402062175.db2.gz UNUWYJMUIVHOOK-UHFFFAOYSA-N -1 0 311.345 2.103 50 0 DEAARM O=C([O-])CCc1ccc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000123686542 402141483 /nfs/dbraw/zinc/14/14/83/402141483.db2.gz QDNWJZBQUWPICX-ZIAGYGMSSA-N -1 0 323.414 2.124 50 0 DEAARM Cn1c2ccccc2c([O-])c(C(=O)Nc2ccccc2N)c1=O ZINC000100001565 402139187 /nfs/dbraw/zinc/13/91/87/402139187.db2.gz VHGBPFRMNBEDAA-UHFFFAOYSA-N -1 0 309.325 2.079 50 0 DEAARM CCOC(=O)Cc1cc(=O)n2[n-]c(C)c(-c3ccccc3)c2n1 ZINC000100147630 402139909 /nfs/dbraw/zinc/13/99/09/402139909.db2.gz PPHBJLNLLMLEHX-UHFFFAOYSA-N -1 0 311.341 2.104 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3F)c=2c(=O)n1-c1ccccc1 ZINC000101167607 402144309 /nfs/dbraw/zinc/14/43/09/402144309.db2.gz 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ZINC000161754279 402398198 /nfs/dbraw/zinc/39/81/98/402398198.db2.gz YJELRYPUIXMXGI-UHFFFAOYSA-N -1 0 304.371 2.376 50 0 DEAARM Cc1noc(C)c1CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177477988 402407368 /nfs/dbraw/zinc/40/73/68/402407368.db2.gz PCWDEDBWQJRASD-ZDUSSCGKSA-N -1 0 300.314 2.049 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2cccnc2N2CCCC2)CC1 ZINC000238016128 402432009 /nfs/dbraw/zinc/43/20/09/402432009.db2.gz VNMGLCSQNBVYDI-UHFFFAOYSA-N -1 0 317.389 2.055 50 0 DEAARM O=C([O-])CCN(C(=O)/C=C/c1ccc(F)cc1)C1CCOCC1 ZINC000238071408 402436367 /nfs/dbraw/zinc/43/63/67/402436367.db2.gz QZRZPOGARTYITD-ZZXKWVIFSA-N -1 0 321.348 2.321 50 0 DEAARM CC[C@H](C(=O)[O-])N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000242390284 402444523 /nfs/dbraw/zinc/44/45/23/402444523.db2.gz AINBQGIQUCMMGT-SNVBAGLBSA-N -1 0 309.746 2.108 50 0 DEAARM CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000165532937 402476840 /nfs/dbraw/zinc/47/68/40/402476840.db2.gz ZYSBZWZPUTUTJD-ZJUUUORDSA-N -1 0 312.391 2.096 50 0 DEAARM O=C([O-])c1cc(Br)cc(NS(=O)(=O)C2CC2)c1 ZINC000166570992 402486067 /nfs/dbraw/zinc/48/60/67/402486067.db2.gz CVAMZXWDBRBCDZ-UHFFFAOYSA-N -1 0 320.164 2.051 50 0 DEAARM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@H](c2cc[nH]n2)C1 ZINC000171088673 402556411 /nfs/dbraw/zinc/55/64/11/402556411.db2.gz VQJMTVDMUSHULX-VIFPVBQESA-N -1 0 307.300 2.413 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000249240609 402623461 /nfs/dbraw/zinc/62/34/61/402623461.db2.gz CUIAUOAATGQYRC-QNWHQSFQSA-N -1 0 309.749 2.007 50 0 DEAARM O=C(NCc1ncccc1O)[C@H]1C[C@@]12CCOc1ccccc12 ZINC000253427386 402665748 /nfs/dbraw/zinc/66/57/48/402665748.db2.gz ADVXHBJEIAVJFF-FZKQIMNGSA-N -1 0 310.353 2.144 50 0 DEAARM O=C([O-])c1cnn(C2CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 ZINC000263137557 402745530 /nfs/dbraw/zinc/74/55/30/402745530.db2.gz HXTYAQHBIMTEBA-LBPRGKRZSA-N -1 0 303.362 2.101 50 0 DEAARM Cc1ccc(C[C@@H](C)NC(=O)c2cnc(C(=O)[O-])cn2)c(C)c1 ZINC000263293323 402755224 /nfs/dbraw/zinc/75/52/24/402755224.db2.gz 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ZINC000274792710 403088170 /nfs/dbraw/zinc/08/81/70/403088170.db2.gz QMKXDNFHNVGCOX-YUTCNCBUSA-N -1 0 317.389 2.006 50 0 DEAARM COc1ccccc1-c1ccnc(-n2ncc(C(=O)[O-])c2C)n1 ZINC000299768908 403569841 /nfs/dbraw/zinc/56/98/41/403569841.db2.gz ZUYVIUIIAOAUGK-UHFFFAOYSA-N -1 0 310.313 2.345 50 0 DEAARM COc1cccc(-c2ccnc(-n3ncc(C(=O)[O-])c3C)n2)c1 ZINC000299765864 403569893 /nfs/dbraw/zinc/56/98/93/403569893.db2.gz CNDWZGSZGYHESA-UHFFFAOYSA-N -1 0 310.313 2.345 50 0 DEAARM Cc1cc2nc(CCC(=O)N[C@@H](C)CC(=O)[O-])[nH]c2cc1C ZINC000426518364 405366086 /nfs/dbraw/zinc/36/60/86/405366086.db2.gz RTCPSORLYNJWOY-NSHDSACASA-N -1 0 303.362 2.092 50 0 DEAARM CN(C)c1cc(N2C[C@H](C(=O)[O-])C3(C2)CCCCC3)ncn1 ZINC000575608955 406813735 /nfs/dbraw/zinc/81/37/35/406813735.db2.gz QGSIFBKMHUBYNP-GFCCVEGCSA-N -1 0 304.394 2.014 50 0 DEAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1ccccc1Cl ZINC000040488280 292517369 /nfs/dbraw/zinc/51/73/69/292517369.db2.gz FOOHABSZVAISCF-FZMZJTMJSA-N -1 0 311.765 2.351 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)[C@H]2COc3ccccc32)cc1 ZINC000299745135 229384842 /nfs/dbraw/zinc/38/48/42/229384842.db2.gz WKMVEKRUEUADII-HNNXBMFYSA-N -1 0 311.337 2.220 50 0 DEAARM C[S@](=O)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000299746509 229390306 /nfs/dbraw/zinc/39/03/06/229390306.db2.gz XVMSDNKOVXIZMQ-YTEVENLXSA-N -1 0 323.414 2.141 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1cccc(F)c1 ZINC000102820807 424848032 /nfs/dbraw/zinc/84/80/32/424848032.db2.gz JLZGUCWAEPHDCQ-KGLIPLIRSA-N -1 0 310.288 2.324 50 0 DEAARM CC1(C)CN(C(=O)c2cnc(C(=O)[O-])cn2)[C@H]1c1cccs1 ZINC000663156830 425809377 /nfs/dbraw/zinc/80/93/77/425809377.db2.gz NAHGPPNARUWQRC-LBPRGKRZSA-N -1 0 317.370 2.460 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)[O-])cc1 ZINC000001764071 278200118 /nfs/dbraw/zinc/20/01/18/278200118.db2.gz ZFURNLHIJVEJAT-PKIAMQTDSA-N -1 0 314.341 2.106 50 0 DEAARM CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@H]2C(=O)[O-])n1 ZINC000050363955 280677665 /nfs/dbraw/zinc/67/76/65/280677665.db2.gz CFZZFUJWSLZTQD-JTQLQIEISA-N -1 0 311.769 2.333 50 0 DEAARM CN(Cc1nnc(-c2ccccc2)o1)Cc1ncccc1C(=O)[O-] ZINC000065403444 289775656 /nfs/dbraw/zinc/77/56/56/289775656.db2.gz NKLDTTOZQRMYNQ-UHFFFAOYSA-N -1 0 324.340 2.462 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000237647706 300784020 /nfs/dbraw/zinc/78/40/20/300784020.db2.gz DZOZZZKQWPSFSM-RISCZKNCSA-N -1 0 311.428 2.402 50 0 DEAARM Cc1cc(Br)oc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000096402684 301072912 /nfs/dbraw/zinc/07/29/12/301072912.db2.gz MKJRJHUZXXFNBH-QMMMGPOBSA-N -1 0 316.151 2.430 50 0 DEAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCCC[C@@H]2c2ccccc2)n1 ZINC000020614326 302910073 /nfs/dbraw/zinc/91/00/73/302910073.db2.gz PQKTYMKEYJVMEH-CQSZACIVSA-N -1 0 313.357 2.486 50 0 DEAARM Cn1ccc([N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000009116261 302956009 /nfs/dbraw/zinc/95/60/09/302956009.db2.gz ZUUGPHOLKXGJIN-UHFFFAOYSA-N -1 0 305.281 2.240 50 0 DEAARM COc1ccc(-n2ccnc2CN2CCC[C@@]2(C)C(=O)[O-])cc1 ZINC000534659716 334315398 /nfs/dbraw/zinc/31/53/98/334315398.db2.gz LMLJZBQUWBJLJG-KRWDZBQOSA-N -1 0 315.373 2.320 50 0 DEAARM CC(=O)N[C@@H](Cc1ccc(-c2ccncc2F)cc1)C(=O)[O-] ZINC000534670086 334319935 /nfs/dbraw/zinc/31/99/35/334319935.db2.gz KZGLLFOOVDJHTA-HNNXBMFYSA-N -1 0 302.305 2.020 50 0 DEAARM COc1cc(C)cc(OC)c1-c1cnc2nc(C(=O)[O-])cn2c1 ZINC000534673690 334321295 /nfs/dbraw/zinc/32/12/95/334321295.db2.gz IYEJQGBCWYMIIQ-UHFFFAOYSA-N -1 0 313.313 2.420 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)c1 ZINC000299744764 534549514 /nfs/dbraw/zinc/54/95/14/534549514.db2.gz PTPKTEUZGHTQFH-CQSZACIVSA-N -1 0 315.300 2.144 50 0 DEAARM CCN(CCC(=O)[O-])C(=O)CCc1ccc2c(c1)OCCCO2 ZINC000299751074 528400937 /nfs/dbraw/zinc/40/09/37/528400937.db2.gz PKLUZFDIPHKTPY-UHFFFAOYSA-N -1 0 321.373 2.104 50 0 DEAARM CC1(C)[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)[C@@H]2CCO[C@H]21 ZINC000262348826 535047747 /nfs/dbraw/zinc/04/77/47/535047747.db2.gz AWJRYOKUABSNME-NUEKZKHPSA-N -1 0 317.385 2.247 50 0 DEAARM CCC[C@H](CC(=O)[O-])NC(=O)CC(=O)Nc1ccc(C)cc1 ZINC000055073102 646410806 /nfs/dbraw/zinc/41/08/06/646410806.db2.gz HOLXAIXRSZAKEG-CYBMUJFWSA-N -1 0 306.362 2.083 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccnc(Cl)c2F)nc1C ZINC000585128641 790323146 /nfs/dbraw/zinc/32/31/46/790323146.db2.gz JFJBEAQDHVNGTD-UHFFFAOYSA-N -1 0 318.761 2.200 50 0 DEAARM CC[C@@H](CS(=O)(=O)[N-]c1nsc2ccccc21)OC ZINC000585129832 790324766 /nfs/dbraw/zinc/32/47/66/790324766.db2.gz YDGBFIJIPKPRCU-VIFPVBQESA-N -1 0 300.405 2.463 50 0 DEAARM C[C@@H](NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[n-]2)C1)c1ccccc1 ZINC000585137859 790331016 /nfs/dbraw/zinc/33/10/16/790331016.db2.gz WOPBLEAIKRQCQN-DGCLKSJQSA-N -1 0 315.377 2.161 50 0 DEAARM CC(C)(C)SCC(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC000585089354 789690263 /nfs/dbraw/zinc/69/02/63/789690263.db2.gz GZRDAFQLGBVMKZ-SECBINFHSA-N -1 0 301.412 2.098 50 0 DEAARM COc1ccc([C@H](C(=O)[O-])N2CC(c3ccncc3)C2)cc1F ZINC001529139278 1070875684 /nfs/dbraw/zinc/87/56/84/1070875684.db2.gz OEAXLRFMPXSVHU-MRXNPFEDSA-N -1 0 316.332 2.454 50 0 DEAARM COc1ccc([C@@H](C(=O)[O-])N2CC(c3ccncc3)C2)cc1F ZINC001529139277 1070876833 /nfs/dbraw/zinc/87/68/33/1070876833.db2.gz OEAXLRFMPXSVHU-INIZCTEOSA-N -1 0 316.332 2.454 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCn2ccc3ccccc32)C1 ZINC000096755555 185386319 /nfs/dbraw/zinc/38/63/19/185386319.db2.gz PMCISBYUVZSEKD-CQSZACIVSA-N -1 0 300.358 2.355 50 0 DEAARM CCN(CCC(=O)[O-])C(=O)c1sccc1Br ZINC000082613760 185191234 /nfs/dbraw/zinc/19/12/34/185191234.db2.gz OZEDTYOCIIGCDB-UHFFFAOYSA-N -1 0 306.181 2.447 50 0 DEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC000321404959 231200988 /nfs/dbraw/zinc/20/09/88/231200988.db2.gz LUMHGWVROIKZGK-KLRAFLRPSA-N -1 0 319.357 2.118 50 0 DEAARM C[C@@H](NC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000095425451 185361626 /nfs/dbraw/zinc/36/16/26/185361626.db2.gz XLNLXWAOFCKMMK-HTQZYQBOSA-N -1 0 305.252 2.062 50 0 DEAARM CC[C@@H](C)n1cnc(S(=O)(=O)[N-]c2n[nH]cc2SC)c1 ZINC000095466386 185371935 /nfs/dbraw/zinc/37/19/35/185371935.db2.gz KADWDZGGYKHCNM-MRVPVSSYSA-N -1 0 315.424 2.100 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1F ZINC000095464039 185371545 /nfs/dbraw/zinc/37/15/45/185371545.db2.gz MXYHWVUCIBVGJK-CYBMUJFWSA-N -1 0 304.277 2.247 50 0 DEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)c(C)c1 ZINC000069675504 190805402 /nfs/dbraw/zinc/80/54/02/190805402.db2.gz IDZYVFSBZJYCJX-UHFFFAOYSA-N -1 0 324.333 2.117 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000238022922 539753177 /nfs/dbraw/zinc/75/31/77/539753177.db2.gz QBBMSYSBSBEJFP-LLVKDONJSA-N -1 0 305.378 2.006 50 0 DEAARM Cc1ccc(C(=O)N(CC(=O)[O-])C2CC2)cc1Br ZINC000147252254 186038808 /nfs/dbraw/zinc/03/88/08/186038808.db2.gz IGFCHMRPVFKLOZ-UHFFFAOYSA-N -1 0 312.163 2.447 50 0 DEAARM C[C@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237501341 186298609 /nfs/dbraw/zinc/29/86/09/186298609.db2.gz 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HNQQDXNTKOUXOE-CVEARBPZSA-N -1 0 314.385 2.002 50 0 DEAARM Cc1nc(-c2ccccc2)oc1C(=O)N1CC[C@](F)(C(=O)[O-])C1 ZINC000262815587 145306370 /nfs/dbraw/zinc/30/63/70/145306370.db2.gz UVXXSCNVGCBAFM-MRXNPFEDSA-N -1 0 318.304 2.289 50 0 DEAARM CCc1cc(C2CC2)nc([N-]S(=O)(=O)c2cncc(F)c2)n1 ZINC000358798717 147208330 /nfs/dbraw/zinc/20/83/30/147208330.db2.gz IASUBCLXIGDIQL-UHFFFAOYSA-N -1 0 322.365 2.251 50 0 DEAARM Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccco2)cc1 ZINC000003025614 401720844 /nfs/dbraw/zinc/72/08/44/401720844.db2.gz OOBYYDOOXODEIT-LBPRGKRZSA-N -1 0 309.343 2.082 50 0 DEAARM CCn1c(SCC(=O)[O-])nc2sc3c(c2c1=O)CCC3 ZINC000000182247 401689555 /nfs/dbraw/zinc/68/95/55/401689555.db2.gz QTVKEYJYFWVVFS-UHFFFAOYSA-N -1 0 310.400 2.143 50 0 DEAARM CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1 ZINC000000247052 401691947 /nfs/dbraw/zinc/69/19/47/401691947.db2.gz LRNPVFAUYOXEPX-UHFFFAOYSA-N -1 0 317.794 2.459 50 0 DEAARM COc1ccccc1NC(=O)c1ccccc1[N-]S(C)(=O)=O ZINC000001079225 401704470 /nfs/dbraw/zinc/70/44/70/401704470.db2.gz OSGCMVGVVKRUOA-UHFFFAOYSA-N -1 0 320.370 2.319 50 0 DEAARM COC(=O)c1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1 ZINC000001270826 401705367 /nfs/dbraw/zinc/70/53/67/401705367.db2.gz NDDKCOUDSWXRLW-YRNVUSSQSA-N -1 0 319.342 2.118 50 0 DEAARM O=C([O-])CCCn1cc(NC(=O)CCc2ccccc2)cn1 ZINC000001426824 401707309 /nfs/dbraw/zinc/70/73/09/401707309.db2.gz NAHIRZKUZYZOCZ-UHFFFAOYSA-N -1 0 301.346 2.319 50 0 DEAARM C[C@@H]1CCc2c(sc3ncn4nc(CCC(=O)[O-])nc4c23)C1 ZINC000002196687 401711948 /nfs/dbraw/zinc/71/19/48/401711948.db2.gz USSBEJBKVNKHMF-MRVPVSSYSA-N -1 0 316.386 2.481 50 0 DEAARM O=C1CCCN1CCCn1c(=O)c2ccccc2[n-]c1=S ZINC000002788880 401718388 /nfs/dbraw/zinc/71/83/88/401718388.db2.gz TZRYVWRIWBGHSI-UHFFFAOYSA-N -1 0 303.387 2.072 50 0 DEAARM CCC(=O)Nc1ccc(I)cc1C(=O)[O-] ZINC000013437489 401799962 /nfs/dbraw/zinc/79/99/62/401799962.db2.gz KLDKRNWQLNPQMK-UHFFFAOYSA-N -1 0 319.098 2.338 50 0 DEAARM CCOc1ccc(Cc2c([O-])nc3n(c2=O)CCS3)cc1 ZINC000013624335 401802341 /nfs/dbraw/zinc/80/23/41/401802341.db2.gz XEAFDAGLGALFTJ-UHFFFAOYSA-N -1 0 304.371 2.044 50 0 DEAARM O=C([O-])/C=C/c1ccccc1OCC(=O)NCc1ccccc1 ZINC000013747811 401803897 /nfs/dbraw/zinc/80/38/97/401803897.db2.gz GYWQHBIPOXVOHR-ZHACJKMWSA-N -1 0 311.337 2.480 50 0 DEAARM CCN1C(=O)C[C@H](C(=O)[O-])SC1=Nc1ccc(OC)cc1 ZINC000008579801 401753976 /nfs/dbraw/zinc/75/39/76/401753976.db2.gz SFYKWJLZARNXSO-LLVKDONJSA-N -1 0 308.359 2.121 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2ccccc2Br)CC1 ZINC000011566522 401775016 /nfs/dbraw/zinc/77/50/16/401775016.db2.gz SGMVNGVGYNSMNQ-UHFFFAOYSA-N -1 0 312.163 2.386 50 0 DEAARM O=C([O-])c1ccccc1C=NNC(=S)NCc1ccccc1 ZINC000013114052 401796519 /nfs/dbraw/zinc/79/65/19/401796519.db2.gz SWQYMTQAOQXQMR-UHFFFAOYSA-N -1 0 313.382 2.383 50 0 DEAARM Cc1nccn1-c1ccc([N-]S(=O)(=O)c2cccs2)cn1 ZINC000078556742 401856359 /nfs/dbraw/zinc/85/63/59/401856359.db2.gz FCASJBSAVNWTHF-UHFFFAOYSA-N -1 0 320.399 2.438 50 0 DEAARM O=C([O-])CNC(=O)CCCc1ccc(Br)s1 ZINC000037433645 401913356 /nfs/dbraw/zinc/91/33/56/401913356.db2.gz ZPVLOOVDQIDJAR-UHFFFAOYSA-N -1 0 306.181 2.034 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)c2cc(Br)c[nH]2)c1 ZINC000037716517 401916514 /nfs/dbraw/zinc/91/65/14/401916514.db2.gz XGYQDFKDSNWHPN-UHFFFAOYSA-N -1 0 323.146 2.405 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@@H](Oc2ncccc2C(=O)[O-])C1 ZINC000086003112 401920690 /nfs/dbraw/zinc/92/06/90/401920690.db2.gz ZVZNJJHZMXHXCB-SNVBAGLBSA-N -1 0 308.334 2.168 50 0 DEAARM COc1ccc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000136115921 401960412 /nfs/dbraw/zinc/96/04/12/401960412.db2.gz RVTVCBSCUNTYRF-CQSZACIVSA-N -1 0 305.374 2.341 50 0 DEAARM COc1ncccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000047521286 401983291 /nfs/dbraw/zinc/98/32/91/401983291.db2.gz MNHLUPOSDMBGGV-UHFFFAOYSA-N -1 0 300.286 2.169 50 0 DEAARM CCn1cnnc1CN1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095352667 402026592 /nfs/dbraw/zinc/02/65/92/402026592.db2.gz ADJIKPMXHKRRBX-HNNXBMFYSA-N -1 0 314.389 2.376 50 0 DEAARM Cc1nc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)no1 ZINC000095356730 402027193 /nfs/dbraw/zinc/02/71/93/402027193.db2.gz HZPQHFBVEDLDAT-CQSZACIVSA-N -1 0 301.346 2.456 50 0 DEAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)c3cccnn3)C2)cc1 ZINC000095379356 402030455 /nfs/dbraw/zinc/03/04/55/402030455.db2.gz XCXIVXBFVMUOEB-CQSZACIVSA-N -1 0 311.341 2.195 50 0 DEAARM CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1OC ZINC000095970313 402038435 /nfs/dbraw/zinc/03/84/35/402038435.db2.gz HRGRYPRWGYZALG-GFCCVEGCSA-N -1 0 307.346 2.077 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2cc(C)c(F)cc2F)no1 ZINC000095994122 402044376 /nfs/dbraw/zinc/04/43/76/402044376.db2.gz DSFMFLZOVLWKPW-UHFFFAOYSA-N -1 0 303.290 2.019 50 0 DEAARM Cc1nn(C)cc1C(=O)/C=C\c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000096297148 402076793 /nfs/dbraw/zinc/07/67/93/402076793.db2.gz JBAZTVHISBEAIB-KRZKBDHCSA-N -1 0 314.341 2.477 50 0 DEAARM Cc1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000096402353 402077703 /nfs/dbraw/zinc/07/77/03/402077703.db2.gz RBLHPUMVDHOFCQ-CYBMUJFWSA-N -1 0 313.357 2.118 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)c2cccc3c[nH]nc32)cc1 ZINC000096402419 402077708 /nfs/dbraw/zinc/07/77/08/402077708.db2.gz JIUAAAUJCDCLOP-UHFFFAOYSA-N -1 0 309.325 2.234 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccncc2)[C@H]1C(=O)[O-] ZINC000096675785 402099530 /nfs/dbraw/zinc/09/95/30/402099530.db2.gz IDUXXYDWGCYHLJ-STQMWFEESA-N -1 0 306.362 2.334 50 0 DEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)Nc1cccc(C)n1 ZINC000064980623 402122403 /nfs/dbraw/zinc/12/24/03/402122403.db2.gz GVJYNCZERXECHZ-UHFFFAOYSA-N -1 0 301.346 2.399 50 0 DEAARM O=C([O-])c1cnc(/C=C\c2cnc(N3CCCC3)nc2)s1 ZINC000096188159 402066795 /nfs/dbraw/zinc/06/67/95/402066795.db2.gz OEOYIVDLILHTQN-ARJAWSKDSA-N -1 0 302.359 2.402 50 0 DEAARM CC(C)(C)n1nc([C@@H]2CCOC2)nc1CCc1cc(=O)[n-]o1 ZINC000097499644 402126191 /nfs/dbraw/zinc/12/61/91/402126191.db2.gz JAENSVNEOMDZSO-SNVBAGLBSA-N -1 0 306.366 2.016 50 0 DEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1 ZINC000101144784 402143789 /nfs/dbraw/zinc/14/37/89/402143789.db2.gz ORUUHMIUZYIJNC-GJZGRUSLSA-N -1 0 322.324 2.193 50 0 DEAARM CC(C)(C)OC(=O)N1Cc2[n-]n(C3CCOCC3)c(=O)c2C1 ZINC000100762197 402142446 /nfs/dbraw/zinc/14/24/46/402142446.db2.gz KFUZAWVAHBCKHG-UHFFFAOYSA-N -1 0 309.366 2.191 50 0 DEAARM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1cccnc1 ZINC000101775423 402155744 /nfs/dbraw/zinc/15/57/44/402155744.db2.gz UFMDJMAEDRNLRC-HNNXBMFYSA-N -1 0 308.341 2.055 50 0 DEAARM O=C([O-])[C@H]1CCC[C@H](NS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000070555916 402262009 /nfs/dbraw/zinc/26/20/09/402262009.db2.gz XGCLMQMCYYZKIP-ONGXEEELSA-N -1 0 317.794 2.262 50 0 DEAARM COCc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c1 ZINC000071801275 402278791 /nfs/dbraw/zinc/27/87/91/402278791.db2.gz HUMXZHIEALDAHG-UHFFFAOYSA-N -1 0 321.354 2.332 50 0 DEAARM CC(C)(C)c1ncc(/C=C/C(=O)N2CC[C@@H](C(=O)[O-])C2)s1 ZINC000236635890 402369877 /nfs/dbraw/zinc/36/98/77/402369877.db2.gz BBALZKIEPVOQNB-ORAHPGNNSA-N -1 0 308.403 2.387 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OS(=O)(=O)c1ccccc1 ZINC000227174066 402331339 /nfs/dbraw/zinc/33/13/39/402331339.db2.gz GVTFLLGMPLLSJL-UHFFFAOYSA-N -1 0 308.311 2.161 50 0 DEAARM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237594475 402414714 /nfs/dbraw/zinc/41/47/14/402414714.db2.gz XPVVSAHMNKEQCD-SMDDNHRTSA-N -1 0 324.808 2.408 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000238041614 402433929 /nfs/dbraw/zinc/43/39/29/402433929.db2.gz WDKAQFKCCKMWDE-GFCCVEGCSA-N -1 0 321.377 2.126 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)C[C@@H](O)c1cccc(F)c1 ZINC000238105300 402438164 /nfs/dbraw/zinc/43/81/64/402438164.db2.gz YULRQHOQHKUHLL-LSDHHAIUSA-N -1 0 323.364 2.495 50 0 DEAARM CCC[C@@H](NC(=O)c1c(Cl)n(C)nc1C(C)C)C(=O)[O-] ZINC000170592290 402505981 /nfs/dbraw/zinc/50/59/81/402505981.db2.gz LWAJUJOEALXULJ-MRVPVSSYSA-N -1 0 301.774 2.180 50 0 DEAARM Cc1c(C(=O)N(CC(=O)[O-])Cc2ccccc2)cnn1C(C)C ZINC000190741445 402620876 /nfs/dbraw/zinc/62/08/76/402620876.db2.gz PMYDPXGBTQMKQK-UHFFFAOYSA-N -1 0 315.373 2.499 50 0 DEAARM COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000252515784 402657997 /nfs/dbraw/zinc/65/79/97/402657997.db2.gz NKFBHZIZMGFKHD-XBFCOCLRSA-N -1 0 303.358 2.122 50 0 DEAARM Cc1nc(C(=O)NCCc2cccc(C(=O)[O-])c2)c(C)s1 ZINC000191175384 402648096 /nfs/dbraw/zinc/64/80/96/402648096.db2.gz LFJHKCVSLGJUHQ-UHFFFAOYSA-N -1 0 304.371 2.431 50 0 DEAARM Cc1ccc([C@H](C(=O)N2CCC(C)(C(=O)[O-])CC2)N(C)C)cc1 ZINC000252501283 402656804 /nfs/dbraw/zinc/65/68/04/402656804.db2.gz UDKFVTSKOREFLZ-OAHLLOKOSA-N -1 0 318.417 2.311 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])n1 ZINC000253388815 402663354 /nfs/dbraw/zinc/66/33/54/402663354.db2.gz XPSVZQYBIWQLRI-XQQFMLRXSA-N -1 0 319.361 2.099 50 0 DEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)no1 ZINC000263185872 402747003 /nfs/dbraw/zinc/74/70/03/402747003.db2.gz SBECDZHGENCFAI-OAHLLOKOSA-N -1 0 312.325 2.376 50 0 DEAARM O=C([O-])c1cnn(C2CCN(C(=O)Cc3ccsc3)CC2)c1 ZINC000263243054 402749758 /nfs/dbraw/zinc/74/97/58/402749758.db2.gz UGLCCJLMBPDLNU-UHFFFAOYSA-N -1 0 319.386 2.049 50 0 DEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCO[C@@H](CC(=O)[O-])C2)o1 ZINC000321404961 404075074 /nfs/dbraw/zinc/07/50/74/404075074.db2.gz LUMHGWVROIKZGK-MISFZPCFSA-N -1 0 319.357 2.118 50 0 DEAARM O=C([O-])[C@@H]1CCCN1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000262613492 225279099 /nfs/dbraw/zinc/27/90/99/225279099.db2.gz CGBWVAKPQFIIOD-KRWDZBQOSA-N -1 0 311.385 2.410 50 0 DEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3oc(=O)ccc3c2)c1 ZINC000041096157 418415580 /nfs/dbraw/zinc/41/55/80/418415580.db2.gz ACUIPXZKGGRTOV-UHFFFAOYSA-N -1 0 316.338 2.297 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccccc2Oc2cccnc2)C1 ZINC000299743664 229381271 /nfs/dbraw/zinc/38/12/71/229381271.db2.gz OLHHCVRGBBDUNT-LBPRGKRZSA-N -1 0 312.325 2.421 50 0 DEAARM O=C([O-])[C@@H]1CCCN1Cc1noc(-c2cccc(Cl)c2)n1 ZINC000299745858 229387563 /nfs/dbraw/zinc/38/75/63/229387563.db2.gz SYHVHUHAIFPWNP-NSHDSACASA-N -1 0 307.737 2.439 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H](O)[C@@H](Nc2ncnc3c4ccccc4oc32)C1 ZINC000662895905 425759074 /nfs/dbraw/zinc/75/90/74/425759074.db2.gz JGFBVYHVYXXUJY-INTQDDNPSA-N -1 0 313.313 2.012 50 0 DEAARM CC(C)C[C@@H](CC(=O)[O-])NC(=O)CN1Cc2ccccc2C1 ZINC000426493959 278968479 /nfs/dbraw/zinc/96/84/79/278968479.db2.gz FKWNXGUUXOBHTR-HNNXBMFYSA-N -1 0 304.390 2.008 50 0 DEAARM O=S(=O)([N-]c1ncccn1)c1ccc(Br)cc1 ZINC000005260288 280339020 /nfs/dbraw/zinc/33/90/20/280339020.db2.gz DYOFXXWJWVBLHW-UHFFFAOYSA-N -1 0 314.164 2.040 50 0 DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000003881823 280608104 /nfs/dbraw/zinc/60/81/04/280608104.db2.gz GSGREUANUSWPFE-ZXFNITATSA-N -1 0 313.353 2.181 50 0 biogenic DEAARM Cc1c2c(nn1C)nc(SCC(=O)[O-])cc2C(F)(F)F ZINC000012398355 301015926 /nfs/dbraw/zinc/01/59/26/301015926.db2.gz WJJCMEFMKLDAHL-UHFFFAOYSA-N -1 0 305.281 2.472 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCC[C@H]2C(=O)[O-])c(C)cc1Cl ZINC000000265765 301384291 /nfs/dbraw/zinc/38/42/91/301384291.db2.gz YNUNTLUMSYLXOL-NSHDSACASA-N -1 0 317.794 2.195 50 0 DEAARM Cc1ccn(-c2ccc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)cc2)n1 ZINC000071281703 331921564 /nfs/dbraw/zinc/92/15/64/331921564.db2.gz GEPWRFGNWFRISU-UONOGXRCSA-N -1 0 313.357 2.476 50 0 DEAARM COc1c([N-]S(=O)(=O)c2cc(C)ccc2C)c(C)nn1C ZINC000096407103 337381735 /nfs/dbraw/zinc/38/17/35/337381735.db2.gz PUFZPENTKBMXEN-UHFFFAOYSA-N -1 0 309.391 2.155 50 0 DEAARM O=S(=O)([N-]c1ccc(-c2ccccc2)nn1)c1cccnc1 ZINC000191036229 337398436 /nfs/dbraw/zinc/39/84/36/337398436.db2.gz HLTUAISWWUYPQU-UHFFFAOYSA-N -1 0 312.354 2.339 50 0 DEAARM Cc1c(Cl)c(C(=O)N[C@@H](CC(=O)[O-])CC(C)C)nn1C ZINC000299800373 533870836 /nfs/dbraw/zinc/87/08/36/533870836.db2.gz WARZWDYGADFDHE-SECBINFHSA-N -1 0 301.774 2.001 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)c2ccccc21 ZINC000299743198 534537762 /nfs/dbraw/zinc/53/77/62/534537762.db2.gz MNQIBZGPVVHDIZ-AWEZNQCLSA-N -1 0 309.321 2.450 50 0 DEAARM O=C([O-])CN(C(=O)Cc1ccccc1C(F)(F)F)C1CC1 ZINC000238075463 527604285 /nfs/dbraw/zinc/60/42/85/527604285.db2.gz PCGWPDTWYSFDHK-UHFFFAOYSA-N -1 0 301.264 2.324 50 0 DEAARM CCO[C@@H]1C[C@@](NC(=O)[C@@H]2Cc3ccccc32)(C(=O)[O-])C1(C)C ZINC000262849030 535443336 /nfs/dbraw/zinc/44/33/36/535443336.db2.gz WIDODNVLURNBDI-HBUWYVDXSA-N -1 0 317.385 2.101 50 0 DEAARM C[C@@](CNC(=O)[C@H]1Cc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000263240512 640148553 /nfs/dbraw/zinc/14/85/53/640148553.db2.gz CDXHURZUMMMHDE-LPHOPBHVSA-N -1 0 309.365 2.485 50 0 DEAARM CCCn1ncc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)c1C ZINC000091877184 684039908 /nfs/dbraw/zinc/03/99/08/684039908.db2.gz OLLRZAAXXHFBMY-UONOGXRCSA-N -1 0 307.394 2.030 50 0 DEAARM CC(=NNC(=O)c1cccs1)c1cccc(OCC(=O)[O-])c1 ZINC000254347608 685197829 /nfs/dbraw/zinc/19/78/29/685197829.db2.gz JJEUNEYADDNBBD-UHFFFAOYSA-N -1 0 318.354 2.366 50 0 DEAARM COc1ncc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)cn1 ZINC000585434371 791834278 /nfs/dbraw/zinc/83/42/78/791834278.db2.gz WJWKYWBIJDYUQM-UHFFFAOYSA-N -1 0 317.729 2.079 50 0 DEAARM O=C([O-])COc1cccc(C(=O)NC[C@H]2CCC[C@@H](F)C2)c1 ZINC000952876038 792792230 /nfs/dbraw/zinc/79/22/30/792792230.db2.gz MXQCUUXKSFOLOU-WCQYABFASA-N -1 0 309.337 2.408 50 0 DEAARM Cc1cc(C(=O)[O-])nc(NCc2nncn2C2CCCCC2)n1 ZINC001506428633 1061974542 /nfs/dbraw/zinc/97/45/42/1061974542.db2.gz XZGBKTJZUDWASC-UHFFFAOYSA-N -1 0 316.365 2.192 50 0 DEAARM CCCn1ncc(C(=O)N[C@H](C(=O)[O-])c2cccc(F)c2)c1C ZINC000095530770 185378797 /nfs/dbraw/zinc/37/87/97/185378797.db2.gz IVSIRGTYITXTMC-AWEZNQCLSA-N -1 0 319.336 2.296 50 0 DEAARM CC(C)(CC(=O)Nc1cccc(N2CCCC2=O)c1)C(=O)[O-] ZINC000078813824 185113645 /nfs/dbraw/zinc/11/36/45/185113645.db2.gz MKXWQXPMYYBVNS-UHFFFAOYSA-N -1 0 304.346 2.253 50 0 DEAARM COc1ccc(C)cc1/C=C\C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000096793841 185388369 /nfs/dbraw/zinc/38/83/69/185388369.db2.gz NWFTZGPVVLJGDE-IQCBXXCUSA-N -1 0 303.358 2.340 50 0 DEAARM O=S(=O)([N-]c1cc(Cl)c(Cl)cc1O)c1c[nH]cn1 ZINC000328595929 231236477 /nfs/dbraw/zinc/23/64/77/231236477.db2.gz KMLVRENPAWCCIP-UHFFFAOYSA-N -1 0 308.146 2.223 50 0 DEAARM CCc1c(C)sc(NC(=O)CCC(=O)[O-])c1C(=O)NC1CC1 ZINC000006728604 190623247 /nfs/dbraw/zinc/62/32/47/190623247.db2.gz FMCDCIFTIFREDR-UHFFFAOYSA-N -1 0 324.402 2.314 50 0 DEAARM Cc1cccc(C[C@@H](CNC(=O)c2cccn2C)C(=O)[O-])c1 ZINC000225461504 201713210 /nfs/dbraw/zinc/71/32/10/201713210.db2.gz QHAZPRXKLJZKCN-AWEZNQCLSA-N -1 0 300.358 2.007 50 0 DEAARM Cc1ccccc1-n1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cn1 ZINC000095424179 185361355 /nfs/dbraw/zinc/36/13/55/185361355.db2.gz CZBLTSRURKTCKN-ZDUSSCGKSA-N -1 0 313.357 2.118 50 0 DEAARM CCOCc1cc(C(=O)NCC(C)(C)C(=O)[O-])ccc1OC ZINC000095425508 185361732 /nfs/dbraw/zinc/36/17/32/185361732.db2.gz JZZWIERYODMYMA-UHFFFAOYSA-N -1 0 309.362 2.072 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)c1ccnc(Cl)c1)c1ccccc1 ZINC000095425559 185361742 /nfs/dbraw/zinc/36/17/42/185361742.db2.gz WKFSARFDYXARPU-LBPRGKRZSA-N -1 0 304.733 2.333 50 0 DEAARM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)n(C)n1 ZINC000097017987 185397854 /nfs/dbraw/zinc/39/78/54/185397854.db2.gz IIMTVPVSUQJZGE-AWEZNQCLSA-N -1 0 301.346 2.099 50 0 DEAARM C[C@@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000255284205 282626191 /nfs/dbraw/zinc/62/61/91/282626191.db2.gz QHWDZCDGDINIFW-OJIASSBASA-N -1 0 303.358 2.424 50 0 DEAARM O=C([O-])c1ccnc(-c2ccnc(NCc3cccnc3)n2)c1 ZINC000071721256 191013753 /nfs/dbraw/zinc/01/37/53/191013753.db2.gz YUSWODBVCDCVMS-UHFFFAOYSA-N -1 0 307.313 2.244 50 0 in-vitro DEAARM Cc1nc(-c2ccc(N3CCC[C@@H](C(=O)[O-])C3)c(F)c2)no1 ZINC000072264981 191090314 /nfs/dbraw/zinc/09/03/14/191090314.db2.gz HIWPWSFHQDEPLE-LLVKDONJSA-N -1 0 305.309 2.485 50 0 DEAARM Cc1oc(C)c(S(=O)(=O)NCc2cccs2)c1C(=O)[O-] ZINC000000114926 180697660 /nfs/dbraw/zinc/69/76/60/180697660.db2.gz BXMCNOINQHTKEJ-UHFFFAOYSA-N -1 0 315.372 2.135 50 0 DEAARM CN(C)c1ccc(C[C@@H](NC(=O)c2ccccc2)C(=O)[O-])cc1 ZINC000072434079 191165056 /nfs/dbraw/zinc/16/50/56/191165056.db2.gz UAZRQIHCOCMYOU-MRXNPFEDSA-N -1 0 312.369 2.178 50 0 DEAARM Cn1ncc(Br)c1C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000973632 180838580 /nfs/dbraw/zinc/83/85/80/180838580.db2.gz MFDQGMFXCQXFIG-UHFFFAOYSA-N -1 0 324.134 2.133 50 0 DEAARM Cc1ccc(N2[C@H](C)CN(C(=O)CCC(=O)[O-])C[C@@H]2C)cc1 ZINC000001019545 353990464 /nfs/dbraw/zinc/99/04/64/353990464.db2.gz ZILSPVYGJRIDPR-OKILXGFUSA-N -1 0 304.390 2.285 50 0 DEAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000003886873 181052783 /nfs/dbraw/zinc/05/27/83/181052783.db2.gz KTQWWYGLWQVHDM-CQSZACIVSA-N -1 0 319.382 2.325 50 0 in-vitro DEAARM C[C@H]1C[C@H](C)CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000004089623 181071903 /nfs/dbraw/zinc/07/19/03/181071903.db2.gz BXFWZVGFFUOJQF-YDHLFZDLSA-N -1 0 304.390 2.370 50 0 biogenic DEAARM O=c1c2[n-][nH]n(Cc3cccc(F)c3)c=2c(=O)n1-c1ccccc1 ZINC000004483595 181112763 /nfs/dbraw/zinc/11/27/63/181112763.db2.gz ADHUWDJTSRIUFR-HUUCEWRRSA-N -1 0 324.315 2.319 50 0 DEAARM CC(C)n1cnnc1SCc1nc(=O)c2sccc2[n-]1 ZINC000004485372 181113426 /nfs/dbraw/zinc/11/34/26/181113426.db2.gz LTCQIIMQKJIBLZ-UHFFFAOYSA-N -1 0 307.404 2.449 50 0 DEAARM Cc1sc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1C ZINC000004748685 181147442 /nfs/dbraw/zinc/14/74/42/181147442.db2.gz ZLOPMFSBEIPGSX-VHSXEESVSA-N -1 0 322.386 2.069 50 0 DEAARM O=C(NC1CC1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004998635 181188205 /nfs/dbraw/zinc/18/82/05/181188205.db2.gz KREFNVGILLVANF-UHFFFAOYSA-N -1 0 322.411 2.441 50 0 DEAARM COc1ccc(OC)c(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c1 ZINC000005025696 181192273 /nfs/dbraw/zinc/19/22/73/181192273.db2.gz VZAKONMJUSEQOD-GHXNOFRVSA-N -1 0 321.358 2.348 50 0 DEAARM COc1ccc2c(ccn2CCC(=O)N[C@@H](C(=O)[O-])C(C)C)c1 ZINC000207892614 356268471 /nfs/dbraw/zinc/26/84/71/356268471.db2.gz QRJQBHYYOVKKQD-MRXNPFEDSA-N -1 0 318.373 2.265 50 0 DEAARM CCO[C@H]1C[C@@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000236954101 202091730 /nfs/dbraw/zinc/09/17/30/202091730.db2.gz QGYNKEYJVXHBOV-GJZGRUSLSA-N -1 0 317.385 2.056 50 0 DEAARM CCn1cc([C@@H]2OCC[C@H]2CN=c2[n-]c(C(C)C)no2)cn1 ZINC000585087250 540255897 /nfs/dbraw/zinc/25/58/97/540255897.db2.gz FGJWOWNHMMOEMP-WCQYABFASA-N -1 0 305.382 2.021 50 0 DEAARM COc1ccc(CCCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237198796 202187058 /nfs/dbraw/zinc/18/70/58/202187058.db2.gz XRPSIRFFFBZVGV-UHFFFAOYSA-N -1 0 305.374 2.341 50 0 DEAARM CCc1nocc1CN(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000585134289 357336279 /nfs/dbraw/zinc/33/62/79/357336279.db2.gz LQULMDYFFMSGHL-UHFFFAOYSA-N -1 0 302.330 2.136 50 0 DEAARM CC(C)Cn1cc([N-]S(=O)(=O)c2cc(O)cc(F)c2)cn1 ZINC000585141084 357338980 /nfs/dbraw/zinc/33/89/80/357338980.db2.gz PAKRLODZFLKODW-UHFFFAOYSA-N -1 0 313.354 2.185 50 0 DEAARM C[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237411821 202258185 /nfs/dbraw/zinc/25/81/85/202258185.db2.gz WODUAMGGQUWQHJ-WCQYABFASA-N -1 0 317.341 2.238 50 0 DEAARM Cc1ccc([C@H]2C[C@@H]2C(=O)N(CC(=O)[O-])C2CCOCC2)s1 ZINC000237660095 202321410 /nfs/dbraw/zinc/32/14/10/202321410.db2.gz AUVFMVQBJUSUEB-STQMWFEESA-N -1 0 323.414 2.252 50 0 DEAARM Cc1ccccc1CC(=O)N(CCC(=O)[O-])C[C@H]1CCCO1 ZINC000237710254 202335203 /nfs/dbraw/zinc/33/52/03/202335203.db2.gz NNXCQMRWEDACCD-OAHLLOKOSA-N -1 0 305.374 2.020 50 0 DEAARM Cc1ccc(-c2ocnc2C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000237697893 202331394 /nfs/dbraw/zinc/33/13/94/202331394.db2.gz RUILDGMSLFIQGF-GFCCVEGCSA-N -1 0 300.314 2.197 50 0 DEAARM Cc1c2cc(F)ccc2sc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237760005 202347961 /nfs/dbraw/zinc/34/79/61/202347961.db2.gz WAISDMNCKLFSOP-LLVKDONJSA-N -1 0 323.345 2.274 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2ccc(Cl)s2)CCO1 ZINC000238193517 202450152 /nfs/dbraw/zinc/45/01/52/202450152.db2.gz VJJGQITYIVOMSB-SECBINFHSA-N -1 0 317.794 2.036 50 0 DEAARM O=C([O-])CSc1nnc(-c2ccncc2)n1Cc1ccco1 ZINC000005997445 181304483 /nfs/dbraw/zinc/30/44/83/181304483.db2.gz ZRXMJJBBCJEGPU-UHFFFAOYSA-N -1 0 316.342 2.158 50 0 DEAARM CC(C)(C)n1cnc(NC(=O)NCc2cccc(C(=O)[O-])c2)n1 ZINC000669503109 540846414 /nfs/dbraw/zinc/84/64/14/540846414.db2.gz TTYRAFMKBOIJJW-UHFFFAOYSA-N -1 0 317.349 2.053 50 0 DEAARM Cc1ccc(CNC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1 ZINC000006269590 181325239 /nfs/dbraw/zinc/32/52/39/181325239.db2.gz KTEFFGZINZDSBM-UHFFFAOYSA-N -1 0 318.398 2.297 50 0 DEAARM O=C(Cc1ccccc1)N[C@@H](c1ccccc1)[P@](=O)([O-])CO ZINC000006344149 181333045 /nfs/dbraw/zinc/33/30/45/181333045.db2.gz ZIAUXIMIUNGMMU-MRXNPFEDSA-N -1 0 319.297 2.264 50 0 DEAARM CCOc1cc2c(cc1OC)[C@@H]([N-]C(=O)C(F)(F)F)CC2=O ZINC000006595643 181359447 /nfs/dbraw/zinc/35/94/47/181359447.db2.gz VOBBHULYUCVFAR-VIFPVBQESA-N -1 0 317.263 2.400 50 0 DEAARM CCOc1ccccc1CC(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091416662 193053342 /nfs/dbraw/zinc/05/33/42/193053342.db2.gz OFGRTVDFQFQSIF-LSDHHAIUSA-N -1 0 317.385 2.197 50 0 DEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)oc2C)C1 ZINC000091593908 193077155 /nfs/dbraw/zinc/07/71/55/193077155.db2.gz RCFWEFFNQBOWKF-MRXNPFEDSA-N -1 0 309.362 2.240 50 0 DEAARM COCCC[C@]1(C(=O)[O-])CCCN(c2nc(C)ncc2C)C1 ZINC000091951927 193131072 /nfs/dbraw/zinc/13/10/72/193131072.db2.gz OJICLQIEJJKCTD-MRXNPFEDSA-N -1 0 307.394 2.191 50 0 DEAARM Cc1noc(C)c1CC(=O)N1CCC[C@](CC2CC2)(C(=O)[O-])C1 ZINC000092038513 193145850 /nfs/dbraw/zinc/14/58/50/193145850.db2.gz BTSSKLYAUSYXGN-QGZVFWFLSA-N -1 0 320.389 2.327 50 0 DEAARM Cc1cc([C@H](NC(=O)[C@@H]2C[C@@H](C)O[C@@H]2C)C(=O)[O-])ccc1F ZINC000630188164 367524092 /nfs/dbraw/zinc/52/40/92/367524092.db2.gz FETHANDSNHRFMJ-FTUHBYGFSA-N -1 0 309.337 2.190 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1ccsc1 ZINC000262194685 304145340 /nfs/dbraw/zinc/14/53/40/304145340.db2.gz ZEXLUUVIVGNFOW-WCQGTBRESA-N -1 0 315.416 2.155 50 0 DEAARM COCc1cccc(C(=O)N2CCC3(C[C@@H]3C(=O)[O-])CC2)c1 ZINC000262501909 203312118 /nfs/dbraw/zinc/31/21/18/203312118.db2.gz YRMYFZAOSMVNRE-CQSZACIVSA-N -1 0 303.358 2.160 50 0 DEAARM Cc1ccc(CC(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])cn1 ZINC000262556545 203328245 /nfs/dbraw/zinc/32/82/45/203328245.db2.gz WQQZKTVILIGUCH-KRWDZBQOSA-N -1 0 310.353 2.143 50 0 DEAARM O=C([O-])c1cccc(C(=O)Nc2cncnc2N2CCCC2)c1 ZINC000263472831 203471719 /nfs/dbraw/zinc/47/17/19/203471719.db2.gz YILUNLRZEWGDSN-UHFFFAOYSA-N -1 0 312.329 2.027 50 0 DEAARM O=C([O-])[C@H](CNC(=O)CC[C@H]1CCCCO1)Cc1ccccc1 ZINC000095970547 193467048 /nfs/dbraw/zinc/46/70/48/193467048.db2.gz CSTOTMJHHPYEMH-JKSUJKDBSA-N -1 0 319.401 2.395 50 0 DEAARM CCCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1OC ZINC000011767324 181704849 /nfs/dbraw/zinc/70/48/49/181704849.db2.gz TZAOTEVRHWUWBZ-DOMZBBRYSA-N -1 0 321.373 2.478 50 0 DEAARM COc1ccc(C(=O)[O-])c(OCC(=O)N(C(C)C)C(C)C)c1 ZINC000013084278 181826957 /nfs/dbraw/zinc/82/69/57/181826957.db2.gz BCGXLOSVRNIAFH-UHFFFAOYSA-N -1 0 309.362 2.418 50 0 DEAARM Cc1ccc(CS(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000016579460 182050499 /nfs/dbraw/zinc/05/04/99/182050499.db2.gz XQKPSBXMONGUHL-UHFFFAOYSA-N -1 0 304.371 2.036 50 0 DEAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005059123 304175964 /nfs/dbraw/zinc/17/59/64/304175964.db2.gz OGMORJZWMGMBFU-NEPJUHHUSA-N -1 0 303.314 2.063 50 0 DEAARM CC[C@H](C(=O)Nc1nn2c([n-]1)nc(C)cc2=O)c1ccccc1 ZINC000018219977 182099503 /nfs/dbraw/zinc/09/95/03/182099503.db2.gz YJMSETZYSUOTAF-LBPRGKRZSA-N -1 0 311.345 2.271 50 0 DEAARM O=C([O-])Cc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 ZINC000020226974 182199428 /nfs/dbraw/zinc/19/94/28/182199428.db2.gz RKULAAZKMNAFJN-UHFFFAOYSA-N -1 0 309.318 2.254 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000159825075 197366941 /nfs/dbraw/zinc/36/69/41/197366941.db2.gz QCVBVROTUDIXFA-LLVKDONJSA-N -1 0 317.370 2.284 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1ccsc1 ZINC000020009565 304206520 /nfs/dbraw/zinc/20/65/20/304206520.db2.gz WOHUBLYJKJIWLZ-CQSZACIVSA-N -1 0 301.367 2.329 50 0 DEAARM O=C([O-])c1cccc(Nc2nc3ccccc3c(NCCO)n2)c1 ZINC000041149954 183177668 /nfs/dbraw/zinc/17/76/68/183177668.db2.gz XWCQYKBMOWIWNP-UHFFFAOYSA-N -1 0 324.340 2.476 50 0 biogenic DEAARM CC(C)c1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1 ZINC000041670394 183214711 /nfs/dbraw/zinc/21/47/11/183214711.db2.gz YFQRPFNJSHVYGI-UHFFFAOYSA-N -1 0 314.341 2.309 50 0 DEAARM O=C([O-])[C@]1(NC(=O)Cc2c(F)cccc2Cl)CCSC1 ZINC000043508691 183368244 /nfs/dbraw/zinc/36/82/44/183368244.db2.gz VVGRUAJEQPYONS-ZDUSSCGKSA-N -1 0 317.769 2.098 50 0 DEAARM Cc1c2ccccc2oc1C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043510448 183368683 /nfs/dbraw/zinc/36/86/83/183368683.db2.gz TXXSHKPITMMBCZ-HNNXBMFYSA-N -1 0 305.355 2.431 50 0 DEAARM CCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000048383505 183654695 /nfs/dbraw/zinc/65/46/95/183654695.db2.gz LBYMQSOSDADMJZ-ZIAGYGMSSA-N -1 0 316.357 2.042 50 0 DEAARM CC(C)c1ncc(Cl)c(C(=O)N2CCC(C(=O)[O-])CC2)n1 ZINC000050363906 183782876 /nfs/dbraw/zinc/78/28/76/183782876.db2.gz IOJZKVCPIQUSBE-UHFFFAOYSA-N -1 0 311.769 2.190 50 0 DEAARM CC[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000268934237 207099264 /nfs/dbraw/zinc/09/92/64/207099264.db2.gz FKUWYJDOIYUYRR-ACZMJKKPSA-N -1 0 322.308 2.450 50 0 DEAARM COc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000055651091 183993395 /nfs/dbraw/zinc/99/33/95/183993395.db2.gz DQTBKYYTJOASQF-UHFFFAOYSA-N -1 0 321.354 2.219 50 0 DEAARM O=C([O-])CCn1nc(-c2ccccc2Br)ccc1=O ZINC000057352072 184034903 /nfs/dbraw/zinc/03/49/03/184034903.db2.gz IKCVWYFRUMMHRA-UHFFFAOYSA-N -1 0 323.146 2.148 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)NCCc1c[nH]c2ccccc12 ZINC000062001815 184201220 /nfs/dbraw/zinc/20/12/20/184201220.db2.gz LNZHJJDGUYRQQP-KGLIPLIRSA-N -1 0 300.358 2.183 50 0 biogenic DEAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000062117840 184206250 /nfs/dbraw/zinc/20/62/50/184206250.db2.gz GKHXDNFCTKEOTQ-MNOVXSKESA-N -1 0 311.765 2.349 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)CCc2nc3ccccc3s2)C1 ZINC000062118526 184206800 /nfs/dbraw/zinc/20/68/00/184206800.db2.gz QNROYUBGTQIRCF-SNVBAGLBSA-N -1 0 304.371 2.162 50 0 DEAARM C[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)[C@H]1C(=O)[O-] ZINC000318510349 296378717 /nfs/dbraw/zinc/37/87/17/296378717.db2.gz GTCPDEAPMNVOBZ-DFBGVHRSSA-N -1 0 303.358 2.012 50 0 DEAARM COc1ccccc1CN1C(=O)c2ccc(C(=O)[O-])cc2C1=O ZINC000062715971 257128987 /nfs/dbraw/zinc/12/89/87/257128987.db2.gz YNEHCXIJKYATTP-UHFFFAOYSA-N -1 0 311.293 2.190 50 0 DEAARM CN(CCCNC(=O)[C@H]1CC[C@@H](C(=O)[O-])C1)c1ccccc1 ZINC000318962534 257241664 /nfs/dbraw/zinc/24/16/64/257241664.db2.gz BISQVMWDAJPWLU-UONOGXRCSA-N -1 0 304.390 2.130 50 0 DEAARM Cc1cc2nc(CN3CCC[C@@H]3c3ccccn3)cc(=O)n2[n-]1 ZINC000102324619 257242426 /nfs/dbraw/zinc/24/24/26/257242426.db2.gz NWBRCEYLNPSTLC-OAHLLOKOSA-N -1 0 309.373 2.063 50 0 DEAARM O=C([O-])c1nc2ccc(I)cn2c1Cl ZINC000004051300 304283599 /nfs/dbraw/zinc/28/35/99/304283599.db2.gz RQDBDTJYUKQYFO-UHFFFAOYSA-N -1 0 322.489 2.291 50 0 DEAARM COc1cccc(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)c1 ZINC000177483141 533445230 /nfs/dbraw/zinc/44/52/30/533445230.db2.gz FEUXATIZJNJADT-HNNXBMFYSA-N -1 0 311.337 2.453 50 0 DEAARM COc1ccc(CNC(=O)CC[C@H]2CC[C@@H](C)O2)cc1C(=O)[O-] ZINC000299752711 533578944 /nfs/dbraw/zinc/57/89/44/533578944.db2.gz VDELBBNJLDXOHY-DGCLKSJQSA-N -1 0 321.373 2.357 50 0 DEAARM Cc1nc(C)c(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)nc1C ZINC000263459598 132587855 /nfs/dbraw/zinc/58/78/55/132587855.db2.gz VJWOAWBPKQTGPY-CYBMUJFWSA-N -1 0 305.378 2.119 50 0 DEAARM COC[C@]1(C(=O)[O-])CCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000562920518 292016793 /nfs/dbraw/zinc/01/67/93/292016793.db2.gz TXINIOSWCGPTGS-KYVUIXNKSA-N -1 0 321.348 2.179 50 0 DEAARM Cc1csc(CNC(=O)CCc2ccccc2C(=O)[O-])n1 ZINC000262244692 145271872 /nfs/dbraw/zinc/27/18/72/145271872.db2.gz UWAIODMRCXBTMP-UHFFFAOYSA-N -1 0 304.371 2.399 50 0 DEAARM Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)[O-] ZINC000007361588 401739045 /nfs/dbraw/zinc/73/90/45/401739045.db2.gz SAPMDFMXEUCKQN-UHFFFAOYSA-N -1 0 321.354 2.259 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1 ZINC000000114796 401688162 /nfs/dbraw/zinc/68/81/62/401688162.db2.gz XQKIMWNZIDYWMF-CABCVRRESA-N -1 0 306.325 2.180 50 0 DEAARM O=S(=O)([N-]c1ccccc1N1CCOCC1)c1cccs1 ZINC000000154002 401688625 /nfs/dbraw/zinc/68/86/25/401688625.db2.gz MYASFTUKTVQWTE-UHFFFAOYSA-N -1 0 324.427 2.386 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000292478 401693274 /nfs/dbraw/zinc/69/32/74/401693274.db2.gz TZABEFQPIFZSDQ-CHWSQXEVSA-N -1 0 305.330 2.303 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 ZINC000000412039 401696597 /nfs/dbraw/zinc/69/65/97/401696597.db2.gz KEIMROLKEASOFU-UHFFFAOYSA-N -1 0 303.339 2.136 50 0 DEAARM O=S(=O)([N-]c1nc(-c2ccccc2)ns1)c1cccnc1 ZINC000071913800 401696688 /nfs/dbraw/zinc/69/66/88/401696688.db2.gz XEPVCBAUKFGBGQ-UHFFFAOYSA-N -1 0 318.383 2.401 50 0 DEAARM O=C([O-])c1cccc(CN2C(=S)N=NC2c2cccnc2)c1 ZINC000013730635 401804079 /nfs/dbraw/zinc/80/40/79/401804079.db2.gz RXJWBEHUPQIOQY-UHFFFAOYSA-N -1 0 312.354 2.375 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C(=O)[O-] ZINC000013758516 401804771 /nfs/dbraw/zinc/80/47/71/401804771.db2.gz AWWFLAVCZRAGFN-ZANVPECISA-N -1 0 310.350 2.325 50 0 DEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2cc(C)ccn2)c1 ZINC000008659808 401754672 /nfs/dbraw/zinc/75/46/72/401754672.db2.gz AWZKTYYDFXSABI-UHFFFAOYSA-N -1 0 308.359 2.208 50 0 DEAARM Cc1nc2[n-]c(NC(=O)c3ccc(F)cc3)nn2c(=O)c1Cl ZINC000008914156 401757446 /nfs/dbraw/zinc/75/74/46/401757446.db2.gz NFZMGLZXKXLFEH-UHFFFAOYSA-N -1 0 321.699 2.183 50 0 DEAARM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000009572714 401763539 /nfs/dbraw/zinc/76/35/39/401763539.db2.gz YLPRGKXCEOBKNI-UHFFFAOYSA-N -1 0 308.384 2.068 50 0 DEAARM COc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000011691568 401775437 /nfs/dbraw/zinc/77/54/37/401775437.db2.gz UERFJLVRZBNKMU-UHFFFAOYSA-N -1 0 321.354 2.219 50 0 DEAARM COc1ccc(/C(C)=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000128556975 401782763 /nfs/dbraw/zinc/78/27/63/401782763.db2.gz WLRNZLWTFYPUSZ-IEZBTEQYSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)cc1Br ZINC000022146785 401826350 /nfs/dbraw/zinc/82/63/50/401826350.db2.gz ASMLQUMKCFKSEH-SNVBAGLBSA-N -1 0 316.126 2.277 50 0 DEAARM COc1cccc(CSc2nc(C)c(CC(=O)[O-])c(=O)[nH]2)c1 ZINC000026423600 401840442 /nfs/dbraw/zinc/84/04/42/401840442.db2.gz LFZNRTVWUUJJHC-UHFFFAOYSA-N -1 0 320.370 2.006 50 0 DEAARM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000078556702 401856139 /nfs/dbraw/zinc/85/61/39/401856139.db2.gz NGOHUJIGDLHJFP-UHFFFAOYSA-N -1 0 320.370 2.449 50 0 DEAARM O=C([O-])[C@@H]1CCCN1Cc1nc(-c2cccc(Cl)c2)no1 ZINC000035302808 401898277 /nfs/dbraw/zinc/89/82/77/401898277.db2.gz UCHIXSMQGKYCGD-NSHDSACASA-N -1 0 307.737 2.439 50 0 DEAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000036974530 401909815 /nfs/dbraw/zinc/90/98/15/401909815.db2.gz VMDJIYXNRQVRIT-SSDOTTSWSA-N -1 0 305.161 2.269 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000037435192 401913214 /nfs/dbraw/zinc/91/32/14/401913214.db2.gz ZHZIJJRABIWYOR-LLVKDONJSA-N -1 0 301.264 2.324 50 0 DEAARM COc1cccc2cc(C(=O)N3CCC[C@H](C(=O)[O-])C3)oc21 ZINC000136161933 401961810 /nfs/dbraw/zinc/96/18/10/401961810.db2.gz JCXOSURWJQZKGJ-NSHDSACASA-N -1 0 303.314 2.378 50 0 DEAARM CC(C)S(=O)(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095355842 402026877 /nfs/dbraw/zinc/02/68/77/402026877.db2.gz DQZKDDJVLPMWMZ-AWEZNQCLSA-N -1 0 311.403 2.302 50 0 DEAARM CC(C)(NC(=O)Cc1noc2ccccc21)C(C)(C)C(=O)[O-] ZINC000095961150 402037463 /nfs/dbraw/zinc/03/74/63/402037463.db2.gz UOIFOJLGEKYDHO-UHFFFAOYSA-N -1 0 304.346 2.376 50 0 DEAARM CCC[C@@H](NC(=O)c1c[nH]nc1-c1ccc(F)cc1)C(=O)[O-] ZINC000095991862 402044052 /nfs/dbraw/zinc/04/40/52/402044052.db2.gz HNWHPLNRDSNXII-GFCCVEGCSA-N -1 0 305.309 2.199 50 0 DEAARM C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccn(CC(=O)[O-])n2)o1 ZINC000122849207 402097645 /nfs/dbraw/zinc/09/76/45/402097645.db2.gz ZKOIFZCNHBYVFY-VSEZHWFZSA-N -1 0 315.329 2.336 50 0 DEAARM O=C([O-])[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1F ZINC000097036426 402100786 /nfs/dbraw/zinc/10/07/86/402100786.db2.gz SIXHEDHTYNVHBF-HNNXBMFYSA-N -1 0 305.280 2.449 50 0 DEAARM Cc1ccc(O)c(CN(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000097162311 402112516 /nfs/dbraw/zinc/11/25/16/402112516.db2.gz TXLSESDARMYIPV-UHFFFAOYSA-N -1 0 316.386 2.438 50 0 DEAARM CCn1ccnc1CN(C)[C@@H](C(=O)[O-])c1cc(C)ccc1OC ZINC000063868948 402116431 /nfs/dbraw/zinc/11/64/31/402116431.db2.gz TXMGIGSEHSOPLO-MRXNPFEDSA-N -1 0 317.389 2.478 50 0 DEAARM Cc1oc(CN(C)C(=O)c2cccc3cn[nH]c32)cc1C(=O)[O-] ZINC000097228652 402118770 /nfs/dbraw/zinc/11/87/70/402118770.db2.gz NHDFACQOJLTWQB-UHFFFAOYSA-N -1 0 313.313 2.435 50 0 DEAARM CO[C@H](c1nc(-c2ccncc2)nn1CC(=O)[O-])c1ccccc1 ZINC000097394473 402124404 /nfs/dbraw/zinc/12/44/04/402124404.db2.gz ULVXHKDMWHAFTG-HNNXBMFYSA-N -1 0 324.340 2.161 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1ccccc1 ZINC000101277656 402144362 /nfs/dbraw/zinc/14/43/62/402144362.db2.gz AVMKASCZLYCTCM-KGLIPLIRSA-N -1 0 310.288 2.324 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3)c=2c(=O)n1-c1ccccc1 ZINC000101417237 402144771 /nfs/dbraw/zinc/14/47/71/402144771.db2.gz HHHFRPXNRGDFQJ-GJZGRUSLSA-N -1 0 324.315 2.319 50 0 DEAARM O=C(Nc1ccc([N-]S(=O)(=O)c2cccs2)cn1)C1CC1 ZINC000067004874 402150082 /nfs/dbraw/zinc/15/00/82/402150082.db2.gz QJTSIIVZXIRGRL-UHFFFAOYSA-N -1 0 323.399 2.292 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC000103308035 402184771 /nfs/dbraw/zinc/18/47/71/402184771.db2.gz UPPHRNHYMYGDBL-XQRVVYSFSA-N -1 0 319.357 2.040 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@H]2C[C@@H]2c2ccccc2)n1 ZINC000124226889 402170150 /nfs/dbraw/zinc/17/01/50/402170150.db2.gz JJYVHJIAIFPIPU-MNOVXSKESA-N -1 0 302.355 2.261 50 0 DEAARM CCC[C@@H](C)N(C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102954723 402175579 /nfs/dbraw/zinc/17/55/79/402175579.db2.gz MZUCAOFRMAJKPN-SNVBAGLBSA-N -1 0 319.430 2.483 50 0 DEAARM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2Cc2c(C)noc2C)o1 ZINC000069492351 402227137 /nfs/dbraw/zinc/22/71/37/402227137.db2.gz MICKXOZQHJKKGO-ABAIWWIYSA-N -1 0 318.329 2.367 50 0 DEAARM C[C@@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1ccnn1-c1ccccc1 ZINC000071388603 402274019 /nfs/dbraw/zinc/27/40/19/402274019.db2.gz FWLDCWFGORDRCX-NSHDSACASA-N -1 0 321.344 2.169 50 0 DEAARM COc1cc(F)c(C(=O)N[C@H](CC(=O)[O-])C(C)C)c(F)c1 ZINC000219129181 402298124 /nfs/dbraw/zinc/29/81/24/402298124.db2.gz AMZFGGPEQZZKGY-LLVKDONJSA-N -1 0 301.289 2.203 50 0 DEAARM C/C=C(\C)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000221728458 402304629 /nfs/dbraw/zinc/30/46/29/402304629.db2.gz PXDXRECDGLFNQE-WVRVXFOWSA-N -1 0 304.321 2.385 50 0 DEAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000222007280 402305668 /nfs/dbraw/zinc/30/56/68/402305668.db2.gz QHBFLLCPGWKBMA-FPYGCLRLSA-N -1 0 307.293 2.477 50 0 DEAARM C[C@@H]1CN(C(=O)C[C@H](CC(=O)[O-])c2cccs2)C[C@H](C)O1 ZINC000223125323 402309390 /nfs/dbraw/zinc/30/93/90/402309390.db2.gz LPIKQIJUIMAKEN-GRYCIOLGSA-N -1 0 311.403 2.332 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000237955470 402427760 /nfs/dbraw/zinc/42/77/60/402427760.db2.gz ASANHKSDMIERPK-NSHDSACASA-N -1 0 311.765 2.432 50 0 DEAARM C[C@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])CCCO1 ZINC000244874944 402451142 /nfs/dbraw/zinc/45/11/42/402451142.db2.gz XJXRXDRSNKWOAK-NSHDSACASA-N -1 0 313.781 2.414 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1n[nH]c2ccccc21 ZINC000237993154 402430808 /nfs/dbraw/zinc/43/08/08/402430808.db2.gz YCOPLTVWRYDJLD-LLVKDONJSA-N -1 0 301.346 2.422 50 0 DEAARM Cn1cc(C(=O)Nc2ccc3[n-]c(=S)oc3c2)ccc1=O ZINC000163663634 402454348 /nfs/dbraw/zinc/45/43/48/402454348.db2.gz JLWRNOUDOLUGTE-UHFFFAOYSA-N -1 0 301.327 2.068 50 0 DEAARM CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000165533306 402476816 /nfs/dbraw/zinc/47/68/16/402476816.db2.gz ZYSBZWZPUTUTJD-VHSXEESVSA-N -1 0 312.391 2.096 50 0 DEAARM C[C@@H](CNS(=O)(=O)c1cc(Cl)sc1Cl)[NH+](C)C ZINC000170605250 402507064 /nfs/dbraw/zinc/50/70/64/402507064.db2.gz SHYBHRTUOWXTCE-LURJTMIESA-N -1 0 317.263 2.283 50 0 DEAARM CCCCNc1ncc(C(=O)[O-])c(N[C@H]2CC[C@H](O)CC2)n1 ZINC000253532883 402667302 /nfs/dbraw/zinc/66/73/02/402667302.db2.gz DNWINVBYPBYEOI-XYPYZODXSA-N -1 0 308.382 2.102 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000262685048 402729455 /nfs/dbraw/zinc/72/94/55/402729455.db2.gz URVBWFHULBWOAY-HNNXBMFYSA-N -1 0 321.421 2.164 50 0 DEAARM Cc1nc(-c2ccccc2)sc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262674682 402729567 /nfs/dbraw/zinc/72/95/67/402729567.db2.gz YDWKHZCNCJXLMZ-NEPJUHHUSA-N -1 0 316.382 2.455 50 0 DEAARM Cc1nc(-c2ccccc2)sc1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000262674685 402729678 /nfs/dbraw/zinc/72/96/78/402729678.db2.gz YDWKHZCNCJXLMZ-RYUDHWBXSA-N -1 0 316.382 2.455 50 0 DEAARM Cc1nc(C)c(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)o1 ZINC000262802416 402732661 /nfs/dbraw/zinc/73/26/61/402732661.db2.gz CRWGXNWXMBKVNJ-KBPBESRZSA-N -1 0 314.341 2.232 50 0 DEAARM C[C@H](C(=O)[O-])N(C(=O)c1cc(F)cc2cccnc21)C1CC1 ZINC000262834670 402735027 /nfs/dbraw/zinc/73/50/27/402735027.db2.gz YJLYEIKRJPPFAS-SECBINFHSA-N -1 0 302.305 2.452 50 0 DEAARM Cc1noc(C)c1CC(=O)Nc1ccc(OCC(=O)[O-])cc1C ZINC000263071088 402742647 /nfs/dbraw/zinc/74/26/47/402742647.db2.gz ZPFKBESYIWBKIH-UHFFFAOYSA-N -1 0 318.329 2.244 50 0 DEAARM C[C@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CC[C@H]1C(=O)[O-] ZINC000263147773 402745391 /nfs/dbraw/zinc/74/53/91/402745391.db2.gz YXIJZZIJFXUGAV-VHSXEESVSA-N -1 0 304.321 2.490 50 0 DEAARM Cc1noc(C)c1C[C@H](C)NC(=O)c1ccc(C(=O)[O-])s1 ZINC000263304510 402756198 /nfs/dbraw/zinc/75/61/98/402756198.db2.gz VLWVEQJKRKBDPO-ZETCQYMHSA-N -1 0 308.359 2.412 50 0 DEAARM CCO[C@@H]1C[C@](NC(=O)c2ccc(C)s2)(C(=O)[O-])C1(C)C ZINC000193052922 402762301 /nfs/dbraw/zinc/76/23/01/402762301.db2.gz RLZFQXDDEQOWMN-ABAIWWIYSA-N -1 0 311.403 2.445 50 0 DEAARM Cc1nnc(CN(C)Cc2nc(=O)c3sccc3[n-]2)s1 ZINC000299764770 403568361 /nfs/dbraw/zinc/56/83/61/403568361.db2.gz FCOHNUFFOGJSNJ-UHFFFAOYSA-N -1 0 307.404 2.189 50 0 DEAARM O=C([O-])[C@H]1Cc2nc(NC(=O)c3cccs3)sc2C(=O)C1 ZINC000299786055 403574682 /nfs/dbraw/zinc/57/46/82/403574682.db2.gz PAPBAQCQTKHRIR-LURJTMIESA-N -1 0 322.367 2.287 50 0 DEAARM CCOc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000236960086 286561194 /nfs/dbraw/zinc/56/11/94/286561194.db2.gz NWUNSLHTLBUMDZ-XBFCOCLRSA-N -1 0 318.373 2.338 50 0 DEAARM CCC[C@H](CC(=O)[O-])NC(=O)N1CC(Oc2cccc(C)c2)C1 ZINC000426618426 405371296 /nfs/dbraw/zinc/37/12/96/405371296.db2.gz WTDFHJNXYACCQL-CYBMUJFWSA-N -1 0 320.389 2.411 50 0 DEAARM O=C([O-])[C@H](CNC(=O)[C@@H]1CCc2cccnc21)Cc1ccccc1 ZINC000585139493 405874908 /nfs/dbraw/zinc/87/49/08/405874908.db2.gz BEYBTUDOXXFJCQ-JKSUJKDBSA-N -1 0 324.380 2.171 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2onc(C)c2C)ccc1C ZINC000131320144 196160106 /nfs/dbraw/zinc/16/01/06/196160106.db2.gz BIHVYRMKCBQDPL-UHFFFAOYSA-N -1 0 324.358 2.187 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)COCc1ccccc1Cl ZINC000136463426 196538382 /nfs/dbraw/zinc/53/83/82/196538382.db2.gz CWKZIYUJSYAQIQ-CYBMUJFWSA-N -1 0 311.765 2.322 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)COc2ccccc2F)c2ccccc21 ZINC000177470787 224845368 /nfs/dbraw/zinc/84/53/68/224845368.db2.gz SGJMEESZQMUMFW-LBPRGKRZSA-N -1 0 315.300 2.420 50 0 DEAARM Cc1nc(-c2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)n(C)c2)cs1 ZINC000299745069 229385346 /nfs/dbraw/zinc/38/53/46/229385346.db2.gz VXZLCPMOYQLGHB-JTQLQIEISA-N -1 0 319.386 2.004 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(COCC3CC3)c2)C1 ZINC000299745315 229387538 /nfs/dbraw/zinc/38/75/38/229387538.db2.gz XVAUUDUAKBUZHA-CYBMUJFWSA-N -1 0 321.348 2.299 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)CCn1cccn1)c1ccccc1Cl ZINC000044935028 424814582 /nfs/dbraw/zinc/81/45/82/424814582.db2.gz BNJOQGPSLYCZHV-CYBMUJFWSA-N -1 0 321.764 2.259 50 0 DEAARM C[C@@H]1C[C@@H](C)[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)O1 ZINC000649239843 424975433 /nfs/dbraw/zinc/97/54/33/424975433.db2.gz LCUSMPOUMRHSRY-IOASZLSFSA-N -1 0 305.374 2.303 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1)C(=O)[O-] ZINC000095969879 287731693 /nfs/dbraw/zinc/73/16/93/287731693.db2.gz QIBSCBHHGBNZGW-HPEDKQMDSA-N -1 0 305.374 2.414 50 0 DEAARM CC1(C)Cc2c(sc3nc4[n-][nH]c(=S)n4c(=O)c23)CO1 ZINC000000346275 278394925 /nfs/dbraw/zinc/39/49/25/278394925.db2.gz RARHKHBRYZGGAS-UHFFFAOYSA-N -1 0 308.388 2.146 50 0 DEAARM CCn1c2nc(-c3ccco3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000036617224 288694498 /nfs/dbraw/zinc/69/44/98/288694498.db2.gz DCUBNBFZSNCUGG-UHFFFAOYSA-N -1 0 317.326 2.432 50 0 DEAARM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006343584 289033942 /nfs/dbraw/zinc/03/39/42/289033942.db2.gz OJIYTVLGGXQHBP-UHFFFAOYSA-N -1 0 322.361 2.328 50 0 DEAARM COc1ccc(Br)cc1[C@@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000205149 295076839 /nfs/dbraw/zinc/07/68/39/295076839.db2.gz XIIXYYUMGBJWCR-PSASIEDQSA-N -1 0 318.192 2.246 50 0 DEAARM Cc1c2ccc(C)cc2oc1C(=O)N1CC[C@H](O)C[C@@H]1C(=O)[O-] ZINC000065417465 301017265 /nfs/dbraw/zinc/01/72/65/301017265.db2.gz CTIGEQBCKHREGK-WCQYABFASA-N -1 0 317.341 2.100 50 0 DEAARM Cc1c2cc(F)ccc2sc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268975799 301017497 /nfs/dbraw/zinc/01/74/97/301017497.db2.gz JOKNPNMVBTVIOB-LLVKDONJSA-N -1 0 323.345 2.274 50 0 DEAARM Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)ccc1Cl ZINC000015947192 301343864 /nfs/dbraw/zinc/34/38/64/301343864.db2.gz HAQHXXYVHFLMIV-BRXULGCHSA-N -1 0 319.744 2.019 50 0 DEAARM Cc1cnn(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)c1 ZINC000136502441 302388036 /nfs/dbraw/zinc/38/80/36/302388036.db2.gz JFZYOYVOCLASRT-HNNXBMFYSA-N -1 0 313.357 2.260 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000265559068 302839398 /nfs/dbraw/zinc/83/93/98/302839398.db2.gz IRVATPPKKFALJE-YUELXQCFSA-N -1 0 320.389 2.468 50 0 DEAARM Cc1noc(C)c1[N-]S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000063476196 302842288 /nfs/dbraw/zinc/84/22/88/302842288.db2.gz CCGPYYJOFPJNGR-UHFFFAOYSA-N -1 0 324.358 2.254 50 0 DEAARM COC(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000007053802 333002585 /nfs/dbraw/zinc/00/25/85/333002585.db2.gz WYJJPFGRALLZED-UHFFFAOYSA-N -1 0 309.318 2.413 50 0 DEAARM C[C@@H](NC(=O)c1cc(F)c([O-])c(F)c1)[C@@H](O)Cc1ccccc1 ZINC000097237130 337382584 /nfs/dbraw/zinc/38/25/84/337382584.db2.gz OBFULDOECABDEG-BMIGLBTASA-N -1 0 321.323 2.392 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000299749325 534224271 /nfs/dbraw/zinc/22/42/71/534224271.db2.gz JYASOQOVWNWGHH-XGUBFFRZSA-N -1 0 303.358 2.052 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000253388808 534442873 /nfs/dbraw/zinc/44/28/73/534442873.db2.gz NYVSOVPDXKAGFF-XQQFMLRXSA-N -1 0 321.377 2.323 50 0 DEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-c2ccc(F)cc2)o1 ZINC000299749965 534526341 /nfs/dbraw/zinc/52/63/41/534526341.db2.gz MGNGAJJEMACZSH-LBPRGKRZSA-N -1 0 319.288 2.011 50 0 DEAARM Cc1oc(CN(C)C(=O)c2cccc3c2OCO3)cc1C(=O)[O-] ZINC000299747499 534545082 /nfs/dbraw/zinc/54/50/82/534545082.db2.gz DFQHMWDWEBEURB-UHFFFAOYSA-N -1 0 317.297 2.287 50 0 DEAARM O=C([O-])[C@@H]1c2nc[nH]c2CCN1C(=O)CCCc1cccs1 ZINC000095366763 684052825 /nfs/dbraw/zinc/05/28/25/684052825.db2.gz WWKURVNENBAJQS-AWEZNQCLSA-N -1 0 319.386 2.005 50 0 DEAARM Cc1nn(C)cc1CCC(=O)Nc1ccc(/C=C\C(=O)[O-])cc1 ZINC000885981065 691976927 /nfs/dbraw/zinc/97/69/27/691976927.db2.gz UATVSLCAFFXHJU-YHYXMXQVSA-N -1 0 313.357 2.398 50 0 DEAARM Cc1ccc([C@@H]2[C@@H](C(=O)[O-])OCC(=O)N2C2CCCCC2)o1 ZINC000828545490 799517717 /nfs/dbraw/zinc/51/77/17/799517717.db2.gz GSPFTFJEEWRWQE-CABCVRRESA-N -1 0 307.346 2.274 50 0 DEAARM CN(Cc1ccc2ncccc2c1)c1nccc(NCC(=O)[O-])n1 ZINC001529105883 1070861276 /nfs/dbraw/zinc/86/12/76/1070861276.db2.gz JFVDBDDUAGMFMU-UHFFFAOYSA-N -1 0 323.356 2.158 50 0 DEAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccccn2)cc1F ZINC001506411742 1061954422 /nfs/dbraw/zinc/95/44/22/1061954422.db2.gz UNMPTEHFHPFICV-HNNXBMFYSA-N -1 0 304.321 2.487 50 0 DEAARM Cc1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cc1Br ZINC000164506645 197654706 /nfs/dbraw/zinc/65/47/06/197654706.db2.gz XJZHZQHMNVNYLB-LLVKDONJSA-N -1 0 312.163 2.447 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)Cc2noc3ccccc23)c1 ZINC000225448088 201710703 /nfs/dbraw/zinc/71/07/03/201710703.db2.gz XQZLUQYKZKPVEL-UHFFFAOYSA-N -1 0 324.336 2.427 50 0 DEAARM CC(C)(CC(=O)Nc1ccc2c(c1)NC(=O)CS2)C(=O)[O-] ZINC000087725368 185231004 /nfs/dbraw/zinc/23/10/04/185231004.db2.gz HRYIOGPCTSTOMG-UHFFFAOYSA-N -1 0 308.359 2.170 50 0 DEAARM CCC[C@H](NC(=O)[C@H]1SCCc2ccccc21)c1nnn[n-]1 ZINC000089949562 185270995 /nfs/dbraw/zinc/27/09/95/185270995.db2.gz BISGVGCSZAPHLR-STQMWFEESA-N -1 0 317.418 2.188 50 0 DEAARM Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000225458872 201712545 /nfs/dbraw/zinc/71/25/45/201712545.db2.gz ZZRVSBNTMOLOLK-SNVBAGLBSA-N -1 0 315.373 2.096 50 0 DEAARM CN(Cc1ccccn1)[C@H](C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000095391592 185351442 /nfs/dbraw/zinc/35/14/42/185351442.db2.gz SOBADFPUDBHDNQ-INIZCTEOSA-N -1 0 314.341 2.111 50 0 DEAARM CC[C@H]1CCCCN1C(=O)COc1ccc(CC(=O)[O-])cc1 ZINC000013420656 190637987 /nfs/dbraw/zinc/63/79/87/190637987.db2.gz HZDOFSHCEMXZLZ-AWEZNQCLSA-N -1 0 305.374 2.484 50 0 DEAARM C[C@H](OCC1CC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000095424129 185361412 /nfs/dbraw/zinc/36/14/12/185361412.db2.gz MQMSWWQDJRVAKG-IINYFYTJSA-N -1 0 309.337 2.273 50 0 DEAARM Cc1cc(C)n(Cc2cccc(NC(=O)[C@@H]3C[C@H]3C(=O)[O-])c2)n1 ZINC000097017740 185397729 /nfs/dbraw/zinc/39/77/29/185397729.db2.gz CEOUTQQOCKKZDJ-HUUCEWRRSA-N -1 0 313.357 2.207 50 0 DEAARM Cn1cccc1C(=O)Nc1ccccc1-n1ccc(C(=O)[O-])n1 ZINC000097018067 185397730 /nfs/dbraw/zinc/39/77/30/185397730.db2.gz SKJNLPMKYADMLE-UHFFFAOYSA-N -1 0 310.313 2.161 50 0 DEAARM O=C([O-])c1ccc(C(=O)NCc2nc3cc(F)ccc3[nH]2)s1 ZINC000097017754 185397767 /nfs/dbraw/zinc/39/77/67/185397767.db2.gz ZDTDKJFPKBBWQO-UHFFFAOYSA-N -1 0 319.317 2.392 50 0 DEAARM Cc1cc(C(=O)N(Cc2ccccc2)C[C@H](C)C(=O)[O-])no1 ZINC000170044333 197765321 /nfs/dbraw/zinc/76/53/21/197765321.db2.gz GMKCYUNVVFXDTO-NSHDSACASA-N -1 0 302.330 2.346 50 0 DEAARM Cn1cc([C@H]2[C@H](C(=O)[O-])CCC(=O)N2Cc2ccsc2)cn1 ZINC000069738541 190809299 /nfs/dbraw/zinc/80/92/99/190809299.db2.gz URLKSZMOKSFRHK-OCCSQVGLSA-N -1 0 319.386 2.046 50 0 DEAARM Cc1oc(-c2ccco2)nc1CC(=O)N[C@@H](C(=O)[O-])C(C)C ZINC000236626591 201939928 /nfs/dbraw/zinc/93/99/28/201939928.db2.gz YBTMZKQOYYNQKJ-CYBMUJFWSA-N -1 0 306.318 2.011 50 0 DEAARM CC(C)c1noc(CCC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)n1 ZINC000236663876 201954340 /nfs/dbraw/zinc/95/43/40/201954340.db2.gz BCKLTTJYXUGJKT-LBPRGKRZSA-N -1 0 323.393 2.229 50 0 DEAARM CC(C)NS(=O)(=O)c1cc(C(=O)[O-])cc(-c2cccnc2)c1 ZINC000071708154 191011146 /nfs/dbraw/zinc/01/11/46/191011146.db2.gz HYTFNGDDSOCMFH-UHFFFAOYSA-N -1 0 320.370 2.134 50 0 DEAARM CCc1ccccc1C(=O)N1CCC[C@](COC)(C(=O)[O-])C1 ZINC000262837271 186310929 /nfs/dbraw/zinc/31/09/29/186310929.db2.gz GLYGUCVGVLVIKB-KRWDZBQOSA-N -1 0 305.374 2.202 50 0 DEAARM CCc1nnc([N-]S(=O)(=O)c2ccc(F)c(C)c2)s1 ZINC000072314379 191121108 /nfs/dbraw/zinc/12/11/08/191121108.db2.gz DWQOCEMYVPZZHA-UHFFFAOYSA-N -1 0 301.368 2.349 50 0 DEAARM C[C@@H](Nc1cc(-c2ccc(F)cc2)nc2ccnn21)c1nnn[n-]1 ZINC000072474620 191178069 /nfs/dbraw/zinc/17/80/69/191178069.db2.gz DKVZPAUKPVSWKS-SECBINFHSA-N -1 0 324.323 2.222 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N(C)C)cc1 ZINC000000582702 180826508 /nfs/dbraw/zinc/82/65/08/180826508.db2.gz DHOISXRXRNAXGQ-UHFFFAOYSA-N -1 0 318.398 2.498 50 0 DEAARM COc1ccc(C)cc1/C=C\C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000316634870 282878153 /nfs/dbraw/zinc/87/81/53/282878153.db2.gz DZZQUBFGBRZPJV-XTKXOIQPSA-N -1 0 303.358 2.340 50 0 DEAARM O=C([O-])CCN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O ZINC000002340384 180920522 /nfs/dbraw/zinc/92/05/22/180920522.db2.gz WKKUYXSYAFTMON-JXMROGBWSA-N -1 0 322.298 2.106 50 0 DEAARM O=C([O-])C1(c2ccc(Br)cc2)CC2(C1)OCCO2 ZINC000077011442 304034652 /nfs/dbraw/zinc/03/46/52/304034652.db2.gz FJCAREVMNSGSFN-UHFFFAOYSA-N -1 0 313.147 2.308 50 0 DEAARM 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/nfs/dbraw/zinc/79/75/66/401797566.db2.gz XATWQPYSEZELKQ-UHFFFAOYSA-N -1 0 307.346 2.221 50 0 DEAARM Cc1ccc([C@H](C)NS(=O)(=O)c2cc(C(=O)[O-])cs2)o1 ZINC000013311926 401798680 /nfs/dbraw/zinc/79/86/80/401798680.db2.gz SJDUMEFTZGVYIQ-QMMMGPOBSA-N -1 0 315.372 2.387 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc2C1 ZINC000009576177 401764251 /nfs/dbraw/zinc/76/42/51/401764251.db2.gz PGLUICHECMWBTD-KRWDZBQOSA-N -1 0 324.380 2.450 50 0 DEAARM O=C1Cc2cc([N-]S(=O)(=O)c3ccccc3F)ccc2N1 ZINC000010063807 401767935 /nfs/dbraw/zinc/76/79/35/401767935.db2.gz JPSHFBVSELWWOY-UHFFFAOYSA-N -1 0 306.318 2.121 50 0 DEAARM C[C@H](NC(=O)c1ccc2nc(-n3cccc3)sc2c1)C(=O)[O-] ZINC000011865964 401777715 /nfs/dbraw/zinc/77/77/15/401777715.db2.gz NFGKCJLLNFNGHY-VIFPVBQESA-N -1 0 315.354 2.290 50 0 DEAARM COc1ccccc1-c1nnc([N-]C(=O)c2cc(C)no2)o1 ZINC000012422431 401785807 /nfs/dbraw/zinc/78/58/07/401785807.db2.gz DLXFRNCAEGWNPG-UHFFFAOYSA-N -1 0 300.274 2.294 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3ccccc3)C2=O)cc1 ZINC000012564530 401788492 /nfs/dbraw/zinc/78/84/92/401788492.db2.gz LLBYTLGUYITGSH-CQSZACIVSA-N -1 0 310.309 2.129 50 0 DEAARM COc1ccc(C(C)=O)cc1CC1C(=O)N=C(SC)N=C1[O-] ZINC000012651077 401789466 /nfs/dbraw/zinc/78/94/66/401789466.db2.gz MURSNWJIUJRIQN-UHFFFAOYSA-N -1 0 320.370 2.412 50 0 DEAARM COc1ccc2c(CC(=O)NC3(C(=O)[O-])CCCC3)coc2c1 ZINC000078307633 401846512 /nfs/dbraw/zinc/84/65/12/401846512.db2.gz ZQNNGMLDGAWJQL-UHFFFAOYSA-N -1 0 317.341 2.498 50 0 DEAARM Cc1nc(CCNC(=O)CCc2ccc(C(=O)[O-])cc2)cs1 ZINC000136893352 401975413 /nfs/dbraw/zinc/97/54/13/401975413.db2.gz JMAKEBJCHBCJGQ-UHFFFAOYSA-N -1 0 318.398 2.441 50 0 DEAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1cccc(C)c1 ZINC000047417487 401982163 /nfs/dbraw/zinc/98/21/63/401982163.db2.gz UTKJCFQIMGYOSR-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM O=C(Cn1ccc2ccccc21)[N-]S(=O)(=O)C1CCCC1 ZINC000151220108 402023943 /nfs/dbraw/zinc/02/39/43/402023943.db2.gz TZFFBPREDOBGRH-UHFFFAOYSA-N -1 0 306.387 2.030 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)nc1C ZINC000050265778 402026400 /nfs/dbraw/zinc/02/64/00/402026400.db2.gz NNRDECAEIVCYAA-UHFFFAOYSA-N -1 0 307.375 2.215 50 0 DEAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)c3cccnn3)C2)cc1 ZINC000095379355 402030428 /nfs/dbraw/zinc/03/04/28/402030428.db2.gz XCXIVXBFVMUOEB-AWEZNQCLSA-N -1 0 311.341 2.195 50 0 DEAARM CC(C)S(=O)(=O)[N-]C(=O)CCCOc1ccccc1Cl ZINC000051901384 402037245 /nfs/dbraw/zinc/03/72/45/402037245.db2.gz BFBPGIYULMDUJW-UHFFFAOYSA-N -1 0 319.810 2.353 50 0 DEAARM CCOc1ccc2c(c1)C=C(C(=O)NC(C)(C)CC(=O)[O-])CO2 ZINC000095970148 402038592 /nfs/dbraw/zinc/03/85/92/402038592.db2.gz ZZJSVDZRSXUKIZ-UHFFFAOYSA-N -1 0 319.357 2.231 50 0 DEAARM Cc1nc([N-]S(=O)(=O)Cc2cccc(C(F)(F)F)c2)no1 ZINC000095994071 402044199 /nfs/dbraw/zinc/04/41/99/402044199.db2.gz ZWTROOBVSKHAOM-UHFFFAOYSA-N -1 0 321.280 2.339 50 0 DEAARM Cc1cccc(F)c1[N-]S(=O)(=O)c1ncn(C)c1Cl ZINC000095995713 402044888 /nfs/dbraw/zinc/04/48/88/402044888.db2.gz FFEHNUZJJWTIAH-UHFFFAOYSA-N -1 0 303.746 2.322 50 0 DEAARM O=C(NCCCO[C@H]1CCOC1)c1ccc2[n-]c(=S)oc2c1 ZINC000150876364 402001970 /nfs/dbraw/zinc/00/19/70/402001970.db2.gz BLOLWLOFTCVVLV-NSHDSACASA-N -1 0 322.386 2.042 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)Cc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000096221930 402072172 /nfs/dbraw/zinc/07/21/72/402072172.db2.gz FOKBJVQKHDYYOO-BZNIZROVSA-N -1 0 321.373 2.006 50 0 biogenic DEAARM CN(CCC1CCOCC1)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055327328 402079732 /nfs/dbraw/zinc/07/97/32/402079732.db2.gz PNOMYLYHRYHEMO-UHFFFAOYSA-N -1 0 320.389 2.072 50 0 DEAARM CC(C)c1nc([N-]S(=O)(=O)Cc2cccc(F)c2)n(C)n1 ZINC000096462641 402092491 /nfs/dbraw/zinc/09/24/91/402092491.db2.gz AEBIGDQDJIWOTC-UHFFFAOYSA-N -1 0 312.370 2.020 50 0 DEAARM COCCN(Cc1cccnc1)C(=O)c1c([O-])cc(F)cc1F ZINC000096475458 402093642 /nfs/dbraw/zinc/09/36/42/402093642.db2.gz QIGQHCUAOVLQLQ-UHFFFAOYSA-N -1 0 322.311 2.354 50 0 DEAARM O=S(=O)([N-]c1cnc(-c2ccccc2)nc1)c1cccnc1 ZINC000096502844 402098012 /nfs/dbraw/zinc/09/80/12/402098012.db2.gz ORCQUBQURHJPAK-UHFFFAOYSA-N -1 0 312.354 2.339 50 0 DEAARM CO[C@@H](c1nc(-c2ccncc2)nn1CC(=O)[O-])c1ccccc1 ZINC000097394477 402124519 /nfs/dbraw/zinc/12/45/19/402124519.db2.gz ULVXHKDMWHAFTG-OAHLLOKOSA-N -1 0 324.340 2.161 50 0 DEAARM COCCn1c(=O)c2c([n-]c1=S)c(-c1ccccc1)cn2C ZINC000100071593 402139693 /nfs/dbraw/zinc/13/96/93/402139693.db2.gz NGRNPRLKDWHFPF-UHFFFAOYSA-N -1 0 315.398 2.337 50 0 DEAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000101167576 402143797 /nfs/dbraw/zinc/14/37/97/402143797.db2.gz AHSNKODKBLGZNY-HOTGVXAUSA-N -1 0 320.352 2.488 50 0 DEAARM CC(C)COc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347899 402144741 /nfs/dbraw/zinc/14/47/41/402144741.db2.gz ANAGDEJQOXCREQ-ZDUSSCGKSA-N -1 0 314.345 2.296 50 0 DEAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2cnccn2)c1=O ZINC000100823764 402142540 /nfs/dbraw/zinc/14/25/40/402142540.db2.gz DIJZRZNNQPKHLW-UHFFFAOYSA-N -1 0 324.340 2.159 50 0 DEAARM O=C([O-])C1=Nc2nnnn2[C@H](c2ccc(-c3ccccc3)cc2)C1 ZINC000101675745 402153726 /nfs/dbraw/zinc/15/37/26/402153726.db2.gz AGEGMBHGYHPHDP-HNNXBMFYSA-N -1 0 319.324 2.324 50 0 DEAARM CCc1c(C(=O)[O-])nnn1-c1ccc(OC(F)(F)F)cc1 ZINC000067323656 402156703 /nfs/dbraw/zinc/15/67/03/402156703.db2.gz ZZKLEVJWNNKNRE-UHFFFAOYSA-N -1 0 301.224 2.427 50 0 DEAARM Cn1c(=O)c2ccc(C(=O)NC3(C)CCCC3)cc2[n-]c1=S ZINC000103808441 402194193 /nfs/dbraw/zinc/19/41/93/402194193.db2.gz GIWPSLQWEJIDTH-UHFFFAOYSA-N -1 0 317.414 2.285 50 0 DEAARM O=C([O-])C1(NC(=O)C2=NO[C@H](c3ccccc3)C2)CCCCC1 ZINC000068378488 402195777 /nfs/dbraw/zinc/19/57/77/402195777.db2.gz ZYGYBTUVVJXLPY-AWEZNQCLSA-N -1 0 316.357 2.408 50 0 DEAARM CCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102168093 402163797 /nfs/dbraw/zinc/16/37/97/402163797.db2.gz QXQBZGODJWVITC-UHFFFAOYSA-N -1 0 305.403 2.142 50 0 DEAARM CCN(CC)C(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000069417424 402222427 /nfs/dbraw/zinc/22/24/27/402222427.db2.gz SSSWLWDOXOTIHU-UHFFFAOYSA-N -1 0 304.799 2.194 50 0 DEAARM O=C([O-])C1(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000154797965 402232453 /nfs/dbraw/zinc/23/24/53/402232453.db2.gz DVKOVOGGDIHGBW-UHFFFAOYSA-N -1 0 305.227 2.326 50 0 DEAARM CC(C)C(=O)[N-]S(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000069703200 402240118 /nfs/dbraw/zinc/24/01/18/402240118.db2.gz HXALXSFNCRNGGQ-UHFFFAOYSA-N -1 0 313.272 2.305 50 0 DEAARM O=C(c1ccncc1[O-])N1CCO[C@H](c2ccc(F)cc2)C1 ZINC000071770917 402277554 /nfs/dbraw/zinc/27/75/54/402277554.db2.gz UEXNHIKYSNSLJX-HNNXBMFYSA-N -1 0 302.305 2.140 50 0 DEAARM COc1ccc(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC000216296040 402288492 /nfs/dbraw/zinc/28/84/92/402288492.db2.gz MTOBMEHTZCZJOH-LBPRGKRZSA-N -1 0 307.346 2.223 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1C ZINC000185707701 402370545 /nfs/dbraw/zinc/37/05/45/402370545.db2.gz NTIOUPAHXGLEPH-UHFFFAOYSA-N -1 0 307.375 2.211 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CC[C@H](Cc3ccccc3)C2)cn1 ZINC000238001450 402431157 /nfs/dbraw/zinc/43/11/57/402431157.db2.gz OOVYHAJTXOPJPE-CQSZACIVSA-N -1 0 310.353 2.485 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000238057021 402435139 /nfs/dbraw/zinc/43/51/39/402435139.db2.gz IEXHXHFPRUWFEO-AWEZNQCLSA-N -1 0 317.385 2.345 50 0 DEAARM O=C([O-])CCN(C(=O)CCc1ccccc1F)C1CCOCC1 ZINC000238063819 402435634 /nfs/dbraw/zinc/43/56/34/402435634.db2.gz ICGJVXDGDDQQJO-UHFFFAOYSA-N -1 0 323.364 2.241 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2cccnc2)[C@@H]1C(=O)[O-] ZINC000261361096 402713193 /nfs/dbraw/zinc/71/31/93/402713193.db2.gz IRYTUHYMXVAETE-QWHCGFSZSA-N -1 0 306.362 2.334 50 0 DEAARM Cc1noc(C)c1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000263024887 402741075 /nfs/dbraw/zinc/74/10/75/402741075.db2.gz MIRPOLNXJSWTGN-ZDUSSCGKSA-N -1 0 306.293 2.295 50 0 DEAARM Cc1ccc(F)c(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000263030957 402741710 /nfs/dbraw/zinc/74/17/10/402741710.db2.gz QVLAYBWOZIQFHT-MKBNYLNASA-N -1 0 321.348 2.225 50 0 DEAARM Cc1nc(C2CC2)oc1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263248137 402750013 /nfs/dbraw/zinc/75/00/13/402750013.db2.gz IPDPRRIXZYPKTC-UHFFFAOYSA-N -1 0 300.314 2.489 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc2cn[nH]c21 ZINC000262332905 402724455 /nfs/dbraw/zinc/72/44/55/402724455.db2.gz VWTWBZLTAOOWLY-GDLCADMTSA-N -1 0 313.357 2.421 50 0 DEAARM C[C@@H]1CC[C@@H]2C(=O)N([C@@H](CC(=O)[O-])c3ccco3)C(=O)[C@@H]2C1 ZINC000004126832 296665456 /nfs/dbraw/zinc/66/54/56/296665456.db2.gz WWVINSFHAZLOQY-KXNHARMFSA-N -1 0 305.330 2.217 50 0 DEAARM Cc1cnc(C)c(N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000290527958 404207528 /nfs/dbraw/zinc/20/75/28/404207528.db2.gz NRHWTJOVFAOXEH-UHFFFAOYSA-N -1 0 301.375 2.440 50 0 DEAARM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@@H](C)C(=O)[O-] ZINC000570970809 406462192 /nfs/dbraw/zinc/46/21/92/406462192.db2.gz RWYWBSOFTRSKSC-ZCFIWIBFSA-N -1 0 318.251 2.323 50 0 DEAARM COc1cc(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000491936674 406783510 /nfs/dbraw/zinc/78/35/10/406783510.db2.gz HSWPQAFUKWSWHR-IDTUSYRASA-N -1 0 319.357 2.183 50 0 DEAARM Cc1cc(CNC(=O)c2ccccc2S[C@H](C)C(=O)[O-])on1 ZINC000137164789 196567197 /nfs/dbraw/zinc/56/71/97/196567197.db2.gz QNQNBNFGPLMPRV-SNVBAGLBSA-N -1 0 320.370 2.478 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000299744391 229385398 /nfs/dbraw/zinc/38/53/98/229385398.db2.gz SFGXOBCDWAFSGD-OAGGEKHMSA-N -1 0 317.385 2.396 50 0 DEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1 ZINC000119571150 424853208 /nfs/dbraw/zinc/85/32/08/424853208.db2.gz DCBAAXHZJCGRFF-CJNGLKHVSA-N -1 0 322.336 2.078 50 0 DEAARM CC(C)[C@@H](NC(=O)CCc1cn(C)c2ccccc12)C(=O)[O-] ZINC000097035335 279883236 /nfs/dbraw/zinc/88/32/36/279883236.db2.gz QUIIQOYYTKLZFB-MRXNPFEDSA-N -1 0 302.374 2.336 50 0 DEAARM COCc1cccc(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])c1 ZINC000263515701 293310503 /nfs/dbraw/zinc/31/05/03/293310503.db2.gz DPCGMAAJVDJOLU-ZOBUZTSGSA-N -1 0 317.385 2.087 50 0 DEAARM Cc1cc(C)cc(OCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000237838451 301226936 /nfs/dbraw/zinc/22/69/36/301226936.db2.gz IGGGARPQTAVQTG-CQSZACIVSA-N -1 0 305.374 2.396 50 0 DEAARM Cc1cc(C)n(CC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000237616495 301238987 /nfs/dbraw/zinc/23/89/87/301238987.db2.gz MOTPSAPWSCZVHQ-BBRMVZONSA-N -1 0 315.373 2.078 50 0 DEAARM Cc1ccc(N2N=C(C(=O)[O-])S(=O)(=O)c3ccccc32)cc1 ZINC000096511527 301631522 /nfs/dbraw/zinc/63/15/22/301631522.db2.gz QWTHEDPMHPCGRX-UHFFFAOYSA-N -1 0 316.338 2.319 50 0 DEAARM Cc1cnc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cn1 ZINC000044915369 302335081 /nfs/dbraw/zinc/33/50/81/302335081.db2.gz CGAOJKBSMSUIIL-LBPRGKRZSA-N -1 0 319.748 2.384 50 0 DEAARM CCCn1nccc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000575138574 326222750 /nfs/dbraw/zinc/22/27/50/326222750.db2.gz FXWWDXFTVLKWMO-AWEZNQCLSA-N -1 0 319.336 2.296 50 0 DEAARM CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1cccc(C(=O)[O-])n1 ZINC000534592179 334294616 /nfs/dbraw/zinc/29/46/16/334294616.db2.gz KACJIRCBGAFXEU-UHFFFAOYSA-N -1 0 302.378 2.432 50 0 DEAARM CC(C)[C@]([NH3+])(CC[P@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000001762446 500629601 /nfs/dbraw/zinc/62/96/01/500629601.db2.gz GABJTPSVZVMCCK-OAHLLOKOSA-N -1 0 313.334 2.328 50 0 biogenic DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnc(-c3ccsc3)s2)C1 ZINC000299741034 534523545 /nfs/dbraw/zinc/52/35/45/534523545.db2.gz CZGCJSJZYMXNDD-MRVPVSSYSA-N -1 0 308.384 2.418 50 0 DEAARM Cc1oc(CNC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1C(=O)[O-] ZINC000299741951 534545004 /nfs/dbraw/zinc/54/50/04/534545004.db2.gz ALESFESXAHERDH-ZYHUDNBSSA-N -1 0 309.362 2.498 50 0 DEAARM CCOc1ccc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000299750566 528395707 /nfs/dbraw/zinc/39/57/07/528395707.db2.gz NWUNSLHTLBUMDZ-BNOWGMLFSA-N -1 0 318.373 2.338 50 0 DEAARM CC[C@](CNC(=O)[C@H]1CCCCO1)(C(=O)[O-])c1ccccc1 ZINC000262955043 535868321 /nfs/dbraw/zinc/86/83/21/535868321.db2.gz INRWNKRGAORNCC-RHSMWYFYSA-N -1 0 305.374 2.104 50 0 DEAARM O=C([O-])C1(NC(=O)c2cc(Br)ccc2Cl)CC1 ZINC000203653660 563803575 /nfs/dbraw/zinc/80/35/75/563803575.db2.gz SHWQXCBYICDQLA-UHFFFAOYSA-N -1 0 318.554 2.450 50 0 DEAARM O=C([N-]c1nc(CC2CC2)ns1)c1snnc1C1CC1 ZINC000888100797 635552445 /nfs/dbraw/zinc/55/24/45/635552445.db2.gz VDAYTVHEYPOUHO-UHFFFAOYSA-N -1 0 307.404 2.472 50 0 DEAARM O=C([O-])[C@H]1c2nc[nH]c2CCN1C(=O)CCCc1cccs1 ZINC000095366762 684052957 /nfs/dbraw/zinc/05/29/57/684052957.db2.gz WWKURVNENBAJQS-CQSZACIVSA-N -1 0 319.386 2.005 50 0 DEAARM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)[C@H]1CC=CCC1 ZINC000585118849 789706129 /nfs/dbraw/zinc/70/61/29/789706129.db2.gz FGJWADCCMVNWRY-JTQLQIEISA-N -1 0 313.350 2.463 50 0 DEAARM CC(C)Cc1cc([N-]S(=O)(=O)c2cnn3ccccc23)n[nH]1 ZINC000952881616 792796465 /nfs/dbraw/zinc/79/64/65/792796465.db2.gz BJQRCJZOPSZRNN-UHFFFAOYSA-N -1 0 319.390 2.057 50 0 DEAARM COc1ccc2cc(-c3nccc(NCC(=O)[O-])n3)ccc2c1 ZINC001506408920 1061951567 /nfs/dbraw/zinc/95/15/67/1061951567.db2.gz YNKQWIQGMDUZTH-UHFFFAOYSA-N -1 0 309.325 2.224 50 0 DEAARM COc1ccc(OC)c(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000096793876 185388585 /nfs/dbraw/zinc/38/85/85/185388585.db2.gz MJAQJNNDQVIJAG-DMTLFAOVSA-N -1 0 319.357 2.040 50 0 DEAARM CCn1cc(Br)cc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000164883501 197665316 /nfs/dbraw/zinc/66/53/16/197665316.db2.gz URSLIXAAUIFFQC-UHFFFAOYSA-N -1 0 315.167 2.008 50 0 DEAARM Cc1c(Br)cccc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000088440251 185250862 /nfs/dbraw/zinc/25/08/62/185250862.db2.gz KIUUDVMTQJPGMV-UHFFFAOYSA-N -1 0 312.163 2.447 50 0 DEAARM CCC[C@H](NC(=O)c1cc(C)n(C2CC2)c1C)c1nnn[n-]1 ZINC000089949645 185271259 /nfs/dbraw/zinc/27/12/59/185271259.db2.gz HKJQVADGEXGHDE-ZDUSSCGKSA-N -1 0 302.382 2.224 50 0 DEAARM O=S(=O)([N-]c1ccccc1O)c1cnn(-c2ccccc2)c1 ZINC000095409098 185356660 /nfs/dbraw/zinc/35/66/60/185356660.db2.gz SZNOIAUAAARTFI-UHFFFAOYSA-N -1 0 315.354 2.379 50 0 DEAARM CC[C@@H](NC(=O)Cc1c(C)nn(-c2ccccc2)c1C)C(=O)[O-] ZINC000095425105 185361590 /nfs/dbraw/zinc/36/15/90/185361590.db2.gz YYPHWCHDYGHDLJ-OAHLLOKOSA-N -1 0 315.373 2.011 50 0 DEAARM C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000095425152 185361615 /nfs/dbraw/zinc/36/16/15/185361615.db2.gz IJPXPWMRMUAVBS-QMMMGPOBSA-N -1 0 301.264 2.326 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccccc2N(C)C)nc1C ZINC000095453618 185369474 /nfs/dbraw/zinc/36/94/74/185369474.db2.gz ROGFWTNUBNMMAG-UHFFFAOYSA-N -1 0 308.407 2.078 50 0 DEAARM CC(C)Oc1ccccc1CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000236662137 201952538 /nfs/dbraw/zinc/95/25/38/201952538.db2.gz GZWOZHSIPYSWSM-KRWDZBQOSA-N -1 0 305.374 2.340 50 0 DEAARM O=C([O-])CC[C@H](NC(=O)c1ccc2nncn2c1)c1ccccc1 ZINC000139323667 186021365 /nfs/dbraw/zinc/02/13/65/186021365.db2.gz SWFUBMNWTMGVPC-AWEZNQCLSA-N -1 0 324.340 2.065 50 0 DEAARM COCc1cccc(CC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000263515699 539789751 /nfs/dbraw/zinc/78/97/51/539789751.db2.gz DPCGMAAJVDJOLU-YQQAZPJKSA-N -1 0 317.385 2.087 50 0 DEAARM CCc1c(NC(=O)[C@H](C)C(=O)[O-])cnn1-c1ccccc1C ZINC000263544471 539789794 /nfs/dbraw/zinc/78/97/94/539789794.db2.gz GATFZBKFXXQLGS-NSHDSACASA-N -1 0 301.346 2.402 50 0 DEAARM C[C@@H](CN(C(=O)c1c(Cl)nc2ccccn21)C1CC1)C(=O)[O-] ZINC000237461801 186293383 /nfs/dbraw/zinc/29/33/83/186293383.db2.gz KTEBEWOPCKKDLG-VIFPVBQESA-N -1 0 321.764 2.313 50 0 DEAARM Cc1nc(C2CC2)oc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000262840549 186311702 /nfs/dbraw/zinc/31/17/02/186311702.db2.gz CYTBVAJVSCXEKL-QJPTWQEYSA-N -1 0 304.346 2.186 50 0 DEAARM CCCc1cc(C(=O)N2CCc3[nH]cnc3[C@@H]2C(=O)[O-])cs1 ZINC000072431873 191163870 /nfs/dbraw/zinc/16/38/70/191163870.db2.gz KIDKWQGFAIOGDI-CYBMUJFWSA-N -1 0 319.386 2.248 50 0 DEAARM O=C([O-])C1(C(=O)NCc2ccccc2OC(F)(F)F)CC1 ZINC000154768834 304027882 /nfs/dbraw/zinc/02/78/82/304027882.db2.gz IPYOJLJDANPIPM-UHFFFAOYSA-N -1 0 303.236 2.066 50 0 DEAARM COc1ccc(NC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(OC)c1 ZINC000000543551 180817649 /nfs/dbraw/zinc/81/76/49/180817649.db2.gz NZMKKKWZVUJWDB-LBPRGKRZSA-N -1 0 310.350 2.325 50 0 biogenic DEAARM S=C([N-]C[C@H]1CCCO1)SCc1cn2cccnc2n1 ZINC000004136837 181077867 /nfs/dbraw/zinc/07/78/67/181077867.db2.gz IFDAJMLXOCARFV-LLVKDONJSA-N -1 0 308.432 2.016 50 0 DEAARM CC(C)[C@H](NC(=O)c1ccc(N2CCCC2)c(F)c1)C(=O)[O-] ZINC000236770850 202000470 /nfs/dbraw/zinc/00/04/70/202000470.db2.gz YICWVCCXTLUDMU-AWEZNQCLSA-N -1 0 308.353 2.265 50 0 DEAARM CC(C)(C)n1nc(C(=O)N(CC(=O)[O-])C2CC2)cc1C1CC1 ZINC000236769241 202000850 /nfs/dbraw/zinc/00/08/50/202000850.db2.gz QZYABYFPJLGHTQ-UHFFFAOYSA-N -1 0 305.378 2.205 50 0 DEAARM Cc1nc(S[C@@H](C)C(=O)[O-])[nH]c(=O)c1Cc1ccccc1 ZINC000005130088 181207232 /nfs/dbraw/zinc/20/72/32/181207232.db2.gz MKLSXKGEZOUPPD-JTQLQIEISA-N -1 0 304.371 2.234 50 0 DEAARM Cc1ccc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2C[C@H]2CCOC2)cc1 ZINC000106905681 355726621 /nfs/dbraw/zinc/72/66/21/355726621.db2.gz HFAHAIVJPFUXBG-FRFSOERESA-N -1 0 317.385 2.396 50 0 DEAARM CC(=O)N[C@@H](CSc1ccc(Br)cc1)C(=O)[O-] ZINC000005167454 181212698 /nfs/dbraw/zinc/21/26/98/181212698.db2.gz FZPBUFAQZNZYPA-JTQLQIEISA-N -1 0 318.192 2.131 50 0 DEAARM C[C@@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)c2ccc(F)cc2O1 ZINC000237633881 356299127 /nfs/dbraw/zinc/29/91/27/356299127.db2.gz CQJFXEZASZJGHD-SECBINFHSA-N -1 0 316.288 2.347 50 0 DEAARM CCOc1ccccc1CCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000236905484 202062615 /nfs/dbraw/zinc/06/26/15/202062615.db2.gz CCMFNWPNVBATFR-UHFFFAOYSA-N -1 0 305.374 2.341 50 0 DEAARM CCc1ccc([C@H](C)CC(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000236974470 202103902 /nfs/dbraw/zinc/10/39/02/202103902.db2.gz QNJPACPAWIUBQF-IUODEOHRSA-N -1 0 305.374 2.055 50 0 DEAARM CCO[C@@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237024517 202125287 /nfs/dbraw/zinc/12/52/87/202125287.db2.gz XVYZBGOEANUXED-ZDUSSCGKSA-N -1 0 305.374 2.056 50 0 DEAARM Cn1cnc(S(=O)(=O)NCc2ccc(-c3ccoc3)cc2)c1 ZINC000390832147 356710306 /nfs/dbraw/zinc/71/03/06/356710306.db2.gz XQHANGFJGCLTNF-UHFFFAOYSA-N -1 0 317.370 2.159 50 0 DEAARM COc1ccc2c(CC(=O)N3CC[C@@](C)(C(=O)[O-])C3)coc2c1 ZINC000237267509 202211399 /nfs/dbraw/zinc/21/13/99/202211399.db2.gz UXXLNYHIGXLZLQ-QGZVFWFLSA-N -1 0 317.341 2.307 50 0 DEAARM O=C([O-])c1csc([C@H]2CCCN2C(=O)C[C@H]2CCCCO2)n1 ZINC000585134090 357335969 /nfs/dbraw/zinc/33/59/69/357335969.db2.gz DMANHBPOCKZDRL-ZYHUDNBSSA-N -1 0 324.402 2.464 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC000237303172 202224385 /nfs/dbraw/zinc/22/43/85/202224385.db2.gz YXVBYNSIUJNBPG-HWKANZROSA-N -1 0 307.321 2.171 50 0 DEAARM C[C@@H](CC(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cccc(F)c1 ZINC000237335607 202237557 /nfs/dbraw/zinc/23/75/57/202237557.db2.gz ARHOBCGSERTZFH-SMDDNHRTSA-N -1 0 309.337 2.021 50 0 DEAARM C[C@H](C(=O)N(CCC(=O)[O-])C[C@H]1CCCO1)c1ccccc1F ZINC000237402162 202254008 /nfs/dbraw/zinc/25/40/08/202254008.db2.gz GBSUBJRZGOOMHG-QWHCGFSZSA-N -1 0 323.364 2.412 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@H](C)Oc1cccc(C(C)=O)c1)C(=O)[O-] ZINC000089279688 192757672 /nfs/dbraw/zinc/75/76/72/192757672.db2.gz GALIWSGCDJHYRH-WBIUFABUSA-N -1 0 321.373 2.272 50 0 DEAARM COCCS(=O)(=O)[N-]c1cc(C2CCCCCC2)[nH]n1 ZINC000089420225 192784803 /nfs/dbraw/zinc/78/48/03/192784803.db2.gz VMGFRAOSBHOKID-UHFFFAOYSA-N -1 0 301.412 2.236 50 0 DEAARM Cc1ccccc1OCCCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000237548014 202279809 /nfs/dbraw/zinc/27/98/09/202279809.db2.gz SUDIMEZVAVOYAA-UHFFFAOYSA-N -1 0 305.374 2.477 50 0 DEAARM Cc1cc(C(=O)N(CCCC(=O)[O-])Cc2ccccc2)on1 ZINC000237675836 202324466 /nfs/dbraw/zinc/32/44/66/202324466.db2.gz JIOJKOFBNLWPSL-UHFFFAOYSA-N -1 0 302.330 2.490 50 0 DEAARM Cc1ccc(CCCC(=O)N2CCO[C@H](CC(=O)[O-])C2)s1 ZINC000237692387 202329952 /nfs/dbraw/zinc/32/99/52/202329952.db2.gz IJLSJZAVBFDNQU-GFCCVEGCSA-N -1 0 311.403 2.081 50 0 DEAARM Cc1ccccc1Cc1noc(CN2CCC[C@@H]2C(=O)[O-])n1 ZINC000237757492 202347939 /nfs/dbraw/zinc/34/79/39/202347939.db2.gz KJMFFMQNMFBRLY-CYBMUJFWSA-N -1 0 301.346 2.018 50 0 DEAARM Cc1ccc2[nH]c(C(=O)N3CCO[C@H](CC(=O)[O-])C3)cc2c1C ZINC000237857382 202372644 /nfs/dbraw/zinc/37/26/44/202372644.db2.gz LOCYYXQNJROSCY-GFCCVEGCSA-N -1 0 316.357 2.100 50 0 DEAARM C[C@@H](Cc1ccccc1F)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237359527 296006646 /nfs/dbraw/zinc/00/66/46/296006646.db2.gz GDLKPAHMRAMBBX-LBPRGKRZSA-N -1 0 323.364 2.097 50 0 DEAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)NCCCC(=O)[O-] ZINC000195529627 201398468 /nfs/dbraw/zinc/39/84/68/201398468.db2.gz DDNJXOVZIQWGIJ-UHFFFAOYSA-N -1 0 315.373 2.013 50 0 DEAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)cc2)cs1 ZINC000006681533 181370335 /nfs/dbraw/zinc/37/03/35/181370335.db2.gz NAPHGCVDIKULJB-UHFFFAOYSA-N -1 0 310.400 2.217 50 0 DEAARM CCc1ncc(C(=O)N[C@](C)(C(=O)[O-])c2ccccc2)s1 ZINC000675982182 541401885 /nfs/dbraw/zinc/40/18/85/541401885.db2.gz UCRVLHKINXPXKF-HNNXBMFYSA-N -1 0 304.371 2.435 50 0 DEAARM Cc1ccc(OCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000006702103 181373657 /nfs/dbraw/zinc/37/36/57/181373657.db2.gz NDZSNSKDJWNPGB-UHFFFAOYSA-N -1 0 301.298 2.416 50 0 DEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1Cl ZINC000006919729 181406453 /nfs/dbraw/zinc/40/64/53/181406453.db2.gz RFWISQAXDLPHSU-UHFFFAOYSA-N -1 0 310.762 2.240 50 0 DEAARM CCc1c(C)nn(CC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c1C ZINC000092045800 193147495 /nfs/dbraw/zinc/14/74/95/193147495.db2.gz BHSMMKLRIZEYML-QGZVFWFLSA-N -1 0 321.421 2.166 50 0 DEAARM COC1CC(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)C1 ZINC000630146685 367498491 /nfs/dbraw/zinc/49/84/91/367498491.db2.gz SUVGSDDAKLCCSQ-UHFFFAOYSA-N -1 0 311.765 2.178 50 0 DEAARM CCCC[C@H](C)C(=O)[N-]S(=O)(=O)c1sccc1OC ZINC000252490999 202848411 /nfs/dbraw/zinc/84/84/11/202848411.db2.gz LHXGKZOUXXKEPD-VIFPVBQESA-N -1 0 305.421 2.388 50 0 DEAARM COc1cccc(CO[C@@H](C)C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262588714 203341526 /nfs/dbraw/zinc/34/15/26/203341526.db2.gz UBAXJQFKPCRKMX-SWLSCSKDSA-N -1 0 321.373 2.066 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CSc3ccccc32)o1 ZINC000094554401 193379136 /nfs/dbraw/zinc/37/91/36/193379136.db2.gz ZHDJRZBQJHOEHX-NSHDSACASA-N -1 0 303.339 2.484 50 0 DEAARM COC[C@](C)(NC(=O)c1cc(Cl)ccc1Cl)C(=O)[O-] ZINC000095989787 193481171 /nfs/dbraw/zinc/48/11/71/193481171.db2.gz SNVOYQBHDKZMBR-LBPRGKRZSA-N -1 0 306.145 2.213 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)c(OC)c1 ZINC000013167063 181835285 /nfs/dbraw/zinc/83/52/85/181835285.db2.gz UPPHRNHYMYGDBL-GQCTYLIASA-N -1 0 319.357 2.040 50 0 DEAARM O=C([O-])c1ccc(CNS(=O)(=O)c2cccc(F)c2)cc1 ZINC000013340309 181845310 /nfs/dbraw/zinc/84/53/10/181845310.db2.gz XFJHFJZYIFCWGW-UHFFFAOYSA-N -1 0 309.318 2.002 50 0 DEAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc2cccnc21 ZINC000018996255 182103136 /nfs/dbraw/zinc/10/31/36/182103136.db2.gz WMQWGYVDDRIZDP-UHFFFAOYSA-N -1 0 302.359 2.376 50 0 DEAARM CC(C)C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)[O-] ZINC000020302031 182204494 /nfs/dbraw/zinc/20/44/94/182204494.db2.gz KJQWUNLTCVDQQZ-LLVKDONJSA-N -1 0 305.783 2.118 50 0 DEAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020614394 182238819 /nfs/dbraw/zinc/23/88/19/182238819.db2.gz LJFAYGSTBUSFSA-UHFFFAOYSA-N -1 0 313.235 2.389 50 0 DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C)n[nH]1 ZINC000021096309 182265446 /nfs/dbraw/zinc/26/54/46/182265446.db2.gz DVKLWBGFNAAXHS-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM CCc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)cc1 ZINC000022159685 182311273 /nfs/dbraw/zinc/31/12/73/182311273.db2.gz GGDAGBKRKBHWKR-UHFFFAOYSA-N -1 0 308.359 2.087 50 0 DEAARM NC(=O)COc1ccc(NC(=O)c2cc(Cl)ccc2[O-])cc1 ZINC000023100490 182347092 /nfs/dbraw/zinc/34/70/92/182347092.db2.gz SQCFUVNCHONVKW-UHFFFAOYSA-N -1 0 320.732 2.162 50 0 DEAARM O=C([O-])CCC(=O)Nc1cccc(Cn2cc(Cl)cn2)c1 ZINC000035670985 182785028 /nfs/dbraw/zinc/78/50/28/182785028.db2.gz RFFYVEBTMIADIH-UHFFFAOYSA-N -1 0 307.737 2.388 50 0 DEAARM COC(=O)c1[n-]c(=O)c(Br)cc1Br ZINC000242614870 284619258 /nfs/dbraw/zinc/61/92/58/284619258.db2.gz PKWUAXJCUBWBHD-UHFFFAOYSA-N -1 0 310.929 2.099 50 0 DEAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(CCCc1ccccc1)c2=O ZINC000040478861 183076133 /nfs/dbraw/zinc/07/61/33/183076133.db2.gz OFOGBTMCINVWSE-UHFFFAOYSA-N -1 0 324.336 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ZINC000096151403 402062879 /nfs/dbraw/zinc/06/28/79/402062879.db2.gz LVAVSZMTFGDKGA-UHFFFAOYSA-N -1 0 316.386 2.455 50 0 DEAARM CC[C@]1(C(=O)[O-])CN(C(=O)OCc2ccccc2)CCC1=O ZINC000066354523 402131784 /nfs/dbraw/zinc/13/17/84/402131784.db2.gz UPTYIDNXCOGZAM-INIZCTEOSA-N -1 0 305.330 2.079 50 0 DEAARM CN1C(C(=O)[O-])=C(c2ccccc2)c2ccccc2S1(=O)=O ZINC000067244945 402155365 /nfs/dbraw/zinc/15/53/65/402155365.db2.gz DDQWWOKOUSYARL-UHFFFAOYSA-N -1 0 315.350 2.165 50 0 DEAARM Cc1noc(C)c1CN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1 ZINC000069492029 402227045 /nfs/dbraw/zinc/22/70/45/402227045.db2.gz YRFSBKFBUYZEIK-CJNGLKHVSA-N -1 0 314.341 2.466 50 0 DEAARM CC(C)c1ccc(O)c(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000071283316 402272188 /nfs/dbraw/zinc/27/21/88/402272188.db2.gz JCWOXCJBQDXPPE-UHFFFAOYSA-N -1 0 301.302 2.256 50 0 DEAARM Cc1ccc([C@@H](NC(=O)c2n[nH]c(=O)[n-]2)c2ccccc2)cc1C ZINC000071819844 402281406 /nfs/dbraw/zinc/28/14/06/402281406.db2.gz CHQQSJHERMNZKL-HNNXBMFYSA-N -1 0 322.368 2.234 50 0 DEAARM CC(C)c1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])nn1C ZINC000236883828 402386863 /nfs/dbraw/zinc/38/68/63/402386863.db2.gz BUCBIRUFWFQUAF-LBPRGKRZSA-N -1 0 307.394 2.403 50 0 DEAARM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CCc1ccccc1 ZINC000236690101 402374481 /nfs/dbraw/zinc/37/44/81/402374481.db2.gz AJDVQUABVOOOBN-QBOMHBFWSA-N -1 0 317.385 2.268 50 0 DEAARM CCn1ccc(NC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)n1 ZINC000226748809 402329665 /nfs/dbraw/zinc/32/96/65/402329665.db2.gz RNYKYYMMAMIOGR-ZDUSSCGKSA-N -1 0 301.346 2.490 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)COc1ccc(F)cc1 ZINC000237984310 402429922 /nfs/dbraw/zinc/42/99/22/402429922.db2.gz ZNNBSQRQBUAZPI-CYBMUJFWSA-N -1 0 309.337 2.450 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)C1 ZINC000238012856 402431614 /nfs/dbraw/zinc/43/16/14/402431614.db2.gz SQHXEKLLHYXMOM-CXAGYDPISA-N -1 0 317.385 2.404 50 0 DEAARM Cc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1Br ZINC000164437249 402462430 /nfs/dbraw/zinc/46/24/30/402462430.db2.gz MWUCWYRSSQBYQG-SNVBAGLBSA-N -1 0 312.163 2.304 50 0 DEAARM O=S(=O)([N-]c1ccc2ncccc2c1)c1cnc2n1CCC2 ZINC000170600128 402506379 /nfs/dbraw/zinc/50/63/79/402506379.db2.gz WDMFKCODPRYEQN-UHFFFAOYSA-N -1 0 314.370 2.178 50 0 DEAARM COc1cc(C(=O)N(C)CC(=O)[O-])ccc1OC1CCCC1 ZINC000262443919 402726239 /nfs/dbraw/zinc/72/62/39/402726239.db2.gz OHLXLEWCMJAEIQ-UHFFFAOYSA-N -1 0 307.346 2.173 50 0 DEAARM Cc1cc(C)c(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)o1 ZINC000262975172 402739230 /nfs/dbraw/zinc/73/92/30/402739230.db2.gz KFMXHKDQWJGATN-GFCCVEGCSA-N -1 0 305.252 2.376 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2cccc([C@H]3CCOC3)c2)o1 ZINC000263319419 402758395 /nfs/dbraw/zinc/75/83/95/402758395.db2.gz IJZSISUKSFPWET-ZDUSSCGKSA-N -1 0 315.325 2.412 50 0 DEAARM CC(C)[C@H](NC(=O)c1cc(C(=O)[O-])co1)c1nc(C2CC2)no1 ZINC000183784299 402797439 /nfs/dbraw/zinc/79/74/39/402797439.db2.gz UHUBWSGWJWOLEV-NSHDSACASA-N -1 0 319.317 2.365 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000265559066 402929500 /nfs/dbraw/zinc/92/95/00/402929500.db2.gz IRVATPPKKFALJE-CFVMTHIKSA-N -1 0 320.389 2.468 50 0 DEAARM COc1cccc(OC)c1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000269369400 403134574 /nfs/dbraw/zinc/13/45/74/403134574.db2.gz LOUUZQRNNDXRPT-UHFFFAOYSA-N -1 0 307.346 2.077 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2Cc3ccccc3O2)c1 ZINC000320883951 404071340 /nfs/dbraw/zinc/07/13/40/404071340.db2.gz TWAIRMPRRABFEF-INIZCTEOSA-N -1 0 311.337 2.047 50 0 DEAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)CC[C@@H]2CCCCO2)c1 ZINC000426513512 405366050 /nfs/dbraw/zinc/36/60/50/405366050.db2.gz CQMZHAQGHJBASN-AWEZNQCLSA-N -1 0 321.373 2.425 50 0 DEAARM CCOc1ccccc1[C@H](C(=O)[O-])N(C)Cc1nccn1C ZINC000095372761 286581496 /nfs/dbraw/zinc/58/14/96/286581496.db2.gz GZQKBWWOXFSLRY-OAHLLOKOSA-N -1 0 303.362 2.077 50 0 DEAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000006658324 292517426 /nfs/dbraw/zinc/51/74/26/292517426.db2.gz FOOHABSZVAISCF-SMDDNHRTSA-N -1 0 311.765 2.351 50 0 DEAARM C[C@H](NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000239128725 225213714 /nfs/dbraw/zinc/21/37/14/225213714.db2.gz KRGANEBWHQKIFL-CYZMBNFOSA-N -1 0 317.341 2.260 50 0 DEAARM O=C([O-])c1cccc(CNS(=O)(=O)CC23CCC(CC2)C3)c1 ZINC000520912913 269446790 /nfs/dbraw/zinc/44/67/90/269446790.db2.gz LEZHFDUNIRFGKB-UHFFFAOYSA-N -1 0 323.414 2.385 50 0 DEAARM CC(C)(C)n1nc(C(=O)N[C@@H]2CC[C@@H](C(=O)[O-])C2)cc1C1CC1 ZINC000095991975 278584744 /nfs/dbraw/zinc/58/47/44/278584744.db2.gz LVQGYHSYIXTXBM-VXGBXAGGSA-N -1 0 319.405 2.499 50 0 DEAARM CC(C)C[C@H](NC(=O)N1CCC(c2ccncc2)CC1)C(=O)[O-] ZINC000426740651 279185297 /nfs/dbraw/zinc/18/52/97/279185297.db2.gz WWLJFWMMFBSBAF-HNNXBMFYSA-N -1 0 319.405 2.470 50 0 DEAARM COc1ccc(C)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)[O-] ZINC000004197506 295106703 /nfs/dbraw/zinc/10/67/03/295106703.db2.gz XKAKQQOHKFSFDM-BVIHXZOGSA-N -1 0 301.342 2.465 50 0 DEAARM C[C@H](C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)[O-])n1cccn1 ZINC000262547714 298184056 /nfs/dbraw/zinc/18/40/56/298184056.db2.gz WHTAZINFGFGYPV-SCRDCRAPSA-N -1 0 301.346 2.022 50 0 DEAARM C[C@H](CC(=O)[O-])NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000095970357 298312621 /nfs/dbraw/zinc/31/26/21/298312621.db2.gz SBKQUGOBNHVMCO-MRVPVSSYSA-N -1 0 307.737 2.323 50 0 DEAARM C[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000137137013 300126261 /nfs/dbraw/zinc/12/62/61/300126261.db2.gz WDPACGBINMSIBQ-LBPRGKRZSA-N -1 0 305.374 2.343 50 0 DEAARM Cc1c(Br)cccc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000088440171 300909624 /nfs/dbraw/zinc/90/96/24/300909624.db2.gz AXIVQUJKUNKCNK-NSHDSACASA-N -1 0 312.163 2.447 50 0 DEAARM Cc1nn(C)c2c1[C@H](c1ccc(C(=O)[O-])cc1)SCC(=O)N2 ZINC000049545262 302788726 /nfs/dbraw/zinc/78/87/26/302788726.db2.gz WJRSZTMXSZAXMT-ZDUSSCGKSA-N -1 0 317.370 2.201 50 0 DEAARM Cn1nc(C(=O)[O-])cc1C(=O)Nc1ccc(Br)cc1 ZINC000002798064 303043229 /nfs/dbraw/zinc/04/32/29/303043229.db2.gz YCNVOICQRDNJQP-UHFFFAOYSA-N -1 0 324.134 2.133 50 0 DEAARM CCOc1cc2c(cc1CNC(=O)C(C)(C)C(=O)[O-])O[C@H](C)C2 ZINC000576945830 326331230 /nfs/dbraw/zinc/33/12/30/326331230.db2.gz CCRAZTGCMHAHLQ-SNVBAGLBSA-N -1 0 321.373 2.136 50 0 DEAARM CC(C)S(=O)(=O)N1CCC[C@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366056 332169373 /nfs/dbraw/zinc/16/93/73/332169373.db2.gz YOJUHVOMJZVOEF-AWEZNQCLSA-N -1 0 311.403 2.302 50 0 DEAARM Cc1[nH][nH]c(=O)c1CC(=O)N[C@@H](C)c1nc2c(s1)CCCC2 ZINC000534637731 334309873 /nfs/dbraw/zinc/30/98/73/334309873.db2.gz JZCWHFYBEXWPNV-VIFPVBQESA-N -1 0 320.418 2.179 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000299749322 534223903 /nfs/dbraw/zinc/22/39/03/534223903.db2.gz JYASOQOVWNWGHH-AJNGGQMLSA-N -1 0 303.358 2.052 50 0 DEAARM O=C([O-])C1(NC(=O)[C@@H]2CSc3ccccc3O2)CCCC1 ZINC000299748756 534482879 /nfs/dbraw/zinc/48/28/79/534482879.db2.gz IBSPKSWQKBPANU-NSHDSACASA-N -1 0 307.371 2.053 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2COc3ccccc32)c1 ZINC000299745398 534547201 /nfs/dbraw/zinc/54/72/01/534547201.db2.gz YRIHZUCSZVIKJC-OAHLLOKOSA-N -1 0 311.337 2.220 50 0 DEAARM O=C([O-])c1ccc(/C=C\C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc1 ZINC000888095912 635529347 /nfs/dbraw/zinc/52/93/47/635529347.db2.gz KONWVPISIKUMGC-CXOKCQFOSA-N -1 0 314.385 2.095 50 0 DEAARM CC(C)(C)C(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000170312805 646643849 /nfs/dbraw/zinc/64/38/49/646643849.db2.gz ZKPXYIJDRXJDLV-LBPRGKRZSA-N -1 0 307.346 2.371 50 0 DEAARM C[C@@H](c1nccs1)N(C)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000065420236 683923429 /nfs/dbraw/zinc/92/34/29/683923429.db2.gz XWIXWJRTYCOFFS-JTQLQIEISA-N -1 0 319.386 2.473 50 0 DEAARM C=CC(=O)NCCc1c(CC)[n-]n(Cc2ccccc2C)c1=O ZINC000585124444 790317044 /nfs/dbraw/zinc/31/70/44/790317044.db2.gz DIUPXYJOAAPMET-HNNXBMFYSA-N -1 0 313.401 2.412 50 0 DEAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccnc(N2CCCC[C@@H]2C)c1 ZINC000584908129 789634472 /nfs/dbraw/zinc/63/44/72/789634472.db2.gz ZJRDVJJNORVFQM-RYUDHWBXSA-N -1 0 305.378 2.006 50 0 DEAARM CCc1nc(C)c([N-]S(=O)(=O)c2ncn(C)c2Cl)s1 ZINC000584908772 789635444 /nfs/dbraw/zinc/63/54/44/789635444.db2.gz XIMZMQFZFJCNDM-UHFFFAOYSA-N -1 0 320.827 2.202 50 0 DEAARM Cn1cc(/C=C/C(=O)[N-]S(=O)(=O)CC2CC2)c2ccccc21 ZINC000095962593 1088888021 /nfs/dbraw/zinc/88/80/21/1088888021.db2.gz KYVLLHPMZMNVLH-CMDGGOBGSA-N -1 0 318.398 2.048 50 0 DEAARM COc1ccc(-c2cc(C(=O)NCCCCC(=O)[O-])[nH]n2)cc1 ZINC000095521923 185377340 /nfs/dbraw/zinc/37/73/40/185377340.db2.gz SGJLOPXYUJRZFV-UHFFFAOYSA-N -1 0 317.345 2.070 50 0 DEAARM CCCn1ncc(C(=O)N[C@@H](C(=O)[O-])c2cccc(F)c2)c1C ZINC000095530771 185378739 /nfs/dbraw/zinc/37/87/39/185378739.db2.gz IVSIRGTYITXTMC-CQSZACIVSA-N -1 0 319.336 2.296 50 0 DEAARM O=C([O-])CN1C(=O)/C(=C/c2c(F)cccc2F)SC1=S ZINC000096663454 185385183 /nfs/dbraw/zinc/38/51/83/185385183.db2.gz XTJYHUVTGMBJGK-WTKPLQERSA-N -1 0 315.322 2.251 50 0 DEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccccc2O)C1 ZINC000079036833 185147943 /nfs/dbraw/zinc/14/79/43/185147943.db2.gz VECUECZTEIEWQB-NEPJUHHUSA-N -1 0 307.346 2.427 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)c1coc(Br)c1)C(=O)[O-] ZINC000096999724 185395902 /nfs/dbraw/zinc/39/59/02/185395902.db2.gz UFLKNIIOSSLTSK-MUWHJKNJSA-N -1 0 304.140 2.271 50 0 DEAARM C[C@@H](OCC1CC1)C(=O)N[C@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000095424130 185361516 /nfs/dbraw/zinc/36/15/16/185361516.db2.gz MQMSWWQDJRVAKG-QMTHXVAHSA-N -1 0 309.337 2.273 50 0 DEAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000097016309 185397674 /nfs/dbraw/zinc/39/76/74/185397674.db2.gz ZXTXHFYEBGCPPH-LBPRGKRZSA-N -1 0 300.358 2.342 50 0 DEAARM CC(C)c1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2)nn1C ZINC000097017973 185397852 /nfs/dbraw/zinc/39/78/52/185397852.db2.gz ZHMLNRCKLYXGNJ-UHFFFAOYSA-N -1 0 315.373 2.271 50 0 DEAARM O=C([O-])c1cc(-c2cc[nH]n2)c(OC[C@@H]2CCCO2)cc1O ZINC000072146531 191053786 /nfs/dbraw/zinc/05/37/86/191053786.db2.gz IWWOWBASVAPEGL-VIFPVBQESA-N -1 0 304.302 2.038 50 0 DEAARM O=C([O-])CCC(=O)Nc1ccccc1I ZINC000000353606 180764632 /nfs/dbraw/zinc/76/46/32/180764632.db2.gz DSZORGXQBKLUHE-UHFFFAOYSA-N -1 0 319.098 2.095 50 0 DEAARM O=C([O-])C1(NC(=O)CCc2ccccc2OC(F)(F)F)CC1 ZINC000238080921 304030885 /nfs/dbraw/zinc/03/08/85/304030885.db2.gz OLGCTJBXEVWJQM-UHFFFAOYSA-N -1 0 317.263 2.251 50 0 DEAARM Cn1ccc([N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000002766569 180954146 /nfs/dbraw/zinc/95/41/46/180954146.db2.gz ZPRYJGXIFJGAGL-UHFFFAOYSA-N -1 0 322.209 2.045 50 0 DEAARM O=C(c1cnn(C(=O)c2ccc(O)cc2)c1)c1ccccc1[O-] ZINC000003418488 181016828 /nfs/dbraw/zinc/01/68/28/181016828.db2.gz QWODNRUBTXOQTK-UHFFFAOYSA-N -1 0 308.293 2.214 50 0 DEAARM O=C1[N-]C(=O)N(Cc2ccccc2)C(=O)C1=CNc1ccccc1 ZINC000005660441 353994312 /nfs/dbraw/zinc/99/43/12/353994312.db2.gz WJQCAEJWPYCCNC-PTNGSMBKSA-N -1 0 321.336 2.261 50 0 DEAARM NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CCCCC2 ZINC000004144050 181078451 /nfs/dbraw/zinc/07/84/51/181078451.db2.gz QBPWLJAMBZVDIM-UHFFFAOYSA-N -1 0 324.402 2.309 50 0 DEAARM COC(=O)CCc1c(C)nn(-c2ccc(C(=O)[O-])cc2)c1C ZINC000004206549 181085426 /nfs/dbraw/zinc/08/54/26/181085426.db2.gz DPACGCBBUBERRP-UHFFFAOYSA-N -1 0 302.330 2.293 50 0 DEAARM Cc1c(Cl)cccc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000004317417 181097214 /nfs/dbraw/zinc/09/72/14/181097214.db2.gz IUEZNGMLWMAFBD-UHFFFAOYSA-N -1 0 310.766 2.270 50 0 DEAARM Cc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])c(C)c1 ZINC000004318893 181097381 /nfs/dbraw/zinc/09/73/81/181097381.db2.gz KBLLIJMOFHJJFN-OAHLLOKOSA-N -1 0 316.357 2.468 50 0 DEAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000004483571 181112604 /nfs/dbraw/zinc/11/26/04/181112604.db2.gz AHSNKODKBLGZNY-CVEARBPZSA-N -1 0 320.352 2.488 50 0 DEAARM COc1cccc(OC)c1C(=O)OCc1ccoc1C(=O)[O-] ZINC000076021674 355120652 /nfs/dbraw/zinc/12/06/52/355120652.db2.gz UPXMWVJIITXUFK-UHFFFAOYSA-N -1 0 306.270 2.352 50 0 DEAARM CN(C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O)C1CCOCC1 ZINC000080659395 355378005 /nfs/dbraw/zinc/37/80/05/355378005.db2.gz UDJRUQBPSKWFLM-UHFFFAOYSA-N -1 0 319.386 2.249 50 0 DEAARM Cc1ccccc1[C@@H]1[C@H](C(=O)[O-])CCC(=O)N1C[C@H]1CCOC1 ZINC000106905674 355726922 /nfs/dbraw/zinc/72/69/22/355726922.db2.gz PMQIUZOFXICROE-FRFSOERESA-N -1 0 317.385 2.396 50 0 DEAARM C=CCN1CCN(c2ncc(C(=O)[O-])c(-c3ccccc3)n2)CC1 ZINC000169751149 355979903 /nfs/dbraw/zinc/97/99/03/355979903.db2.gz HQEOMWOAYDKUMS-UHFFFAOYSA-N -1 0 324.384 2.150 50 0 DEAARM CCc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)cc1 ZINC000005262293 181223536 /nfs/dbraw/zinc/22/35/36/181223536.db2.gz GLKLNNDDMXGVEK-UHFFFAOYSA-N -1 0 304.371 2.149 50 0 DEAARM COC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(=O)cc1[O-] ZINC000005700612 181274074 /nfs/dbraw/zinc/27/40/74/181274074.db2.gz UFSKKRPVKOSVCL-UHFFFAOYSA-N -1 0 315.112 2.032 50 0 DEAARM CCOc1ccccc1CCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000236906547 202065161 /nfs/dbraw/zinc/06/51/61/202065161.db2.gz QZBLQVSYBCPMEA-AWEZNQCLSA-N -1 0 305.374 2.341 50 0 DEAARM CCCN(CC)c1ccc(C(=O)N2CCC[C@@H]2C(=O)[O-])cn1 ZINC000236963053 202098022 /nfs/dbraw/zinc/09/80/22/202098022.db2.gz BYTAJQGIFSBTRI-CYBMUJFWSA-N -1 0 305.378 2.007 50 0 DEAARM CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237016519 202123518 /nfs/dbraw/zinc/12/35/18/202123518.db2.gz QMBZJIVMUHPAEM-LRDDRELGSA-N -1 0 309.337 2.306 50 0 DEAARM CCc1cc(C)c(C(=O)N(CCC(=O)[O-])C2CCOCC2)o1 ZINC000237124862 202160006 /nfs/dbraw/zinc/16/00/06/202160006.db2.gz HMZDNZDTVOTXJJ-UHFFFAOYSA-N -1 0 309.362 2.246 50 0 DEAARM COc1ccccc1C[C@H](C)CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237248475 202204516 /nfs/dbraw/zinc/20/45/16/202204516.db2.gz BRKHPFDCHMHKGZ-JSGCOSHPSA-N -1 0 305.374 2.340 50 0 DEAARM CC(C)c1ccc(CCNC(=O)c2cnc(C(=O)[O-])cn2)cc1 ZINC000581229828 357150504 /nfs/dbraw/zinc/15/05/04/357150504.db2.gz PDUWWHKGBDRBOM-UHFFFAOYSA-N -1 0 313.357 2.271 50 0 DEAARM O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)cc1 ZINC000034936194 304075194 /nfs/dbraw/zinc/07/51/94/304075194.db2.gz QIZDEZGNDHBFDK-NSHDSACASA-N -1 0 317.794 2.358 50 0 DEAARM C[C@H]1CC[C@@H](CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])O1 ZINC000237556006 202283427 /nfs/dbraw/zinc/28/34/27/202283427.db2.gz TXZNYCBOKXQUNA-QEJZJMRPSA-N -1 0 305.374 2.146 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCn2ccc3ccccc32)C1 ZINC000237642102 202315089 /nfs/dbraw/zinc/31/50/89/202315089.db2.gz RVIUPJZLYMFLGB-KRWDZBQOSA-N -1 0 300.358 2.355 50 0 DEAARM Cc1cccc(OCCCCC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000237708295 202333606 /nfs/dbraw/zinc/33/36/06/202333606.db2.gz WUGRXJOAKFVWFR-AWEZNQCLSA-N -1 0 305.374 2.477 50 0 DEAARM Cc1cccc2c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c[nH]c21 ZINC000237756993 202347610 /nfs/dbraw/zinc/34/76/10/202347610.db2.gz GCMZMTDUKKQIAY-LBPRGKRZSA-N -1 0 300.358 2.342 50 0 DEAARM Cc1nc(-c2cc(C(=O)N3CC[C@H](C(=O)[O-])C3)co2)cs1 ZINC000237789815 202356116 /nfs/dbraw/zinc/35/61/16/202356116.db2.gz TXONWXZIUCNTCM-VIFPVBQESA-N -1 0 306.343 2.258 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)c1n[nH]c2ccccc21 ZINC000237937829 202396182 /nfs/dbraw/zinc/39/61/82/202396182.db2.gz YCOPLTVWRYDJLD-NSHDSACASA-N -1 0 301.346 2.422 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)CCCOc2ccc(F)cc2F)C1 ZINC000237947311 202399903 /nfs/dbraw/zinc/39/99/03/202399903.db2.gz TYTMNSAUYHAIOZ-SNVBAGLBSA-N -1 0 313.300 2.057 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(F)cc(C(F)(F)F)c2)C1 ZINC000237959668 202404463 /nfs/dbraw/zinc/40/44/63/202404463.db2.gz IXEZRRQHSSSWJP-ZETCQYMHSA-N -1 0 305.227 2.391 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1S(=O)(=O)c1ccccc1 ZINC000238854796 202451668 /nfs/dbraw/zinc/45/16/68/202451668.db2.gz PKRCSPQZJXACLK-BNOWGMLFSA-N -1 0 309.387 2.093 50 0 DEAARM Cc1cc2ccccc2n1CC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000271900331 209308812 /nfs/dbraw/zinc/30/88/12/209308812.db2.gz ZMDIVGBSFQJYFB-MRXNPFEDSA-N -1 0 318.398 2.026 50 0 DEAARM COc1cccc(/C(C)=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000606441337 361008119 /nfs/dbraw/zinc/00/81/19/361008119.db2.gz ONJLBAYMZUDJIF-GKUQOKNUSA-N -1 0 303.358 2.422 50 0 DEAARM COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)[O-])c(O)c2)c1 ZINC000006641201 181363846 /nfs/dbraw/zinc/36/38/46/181363846.db2.gz FGBCKOTUEAURJR-UHFFFAOYSA-N -1 0 317.297 2.360 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccc(F)c(Cl)c2)cn1 ZINC000006731475 181379135 /nfs/dbraw/zinc/37/91/35/181379135.db2.gz LIABCLOYWNYNTN-UHFFFAOYSA-N -1 0 303.746 2.496 50 0 DEAARM CN(CCC(=O)[O-])C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1 ZINC000630137484 367491576 /nfs/dbraw/zinc/49/15/76/367491576.db2.gz SSSOVLKJHYPTQV-AWEZNQCLSA-N -1 0 324.808 2.238 50 0 DEAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(SCCO)cc2)C1 ZINC000217586737 201520201 /nfs/dbraw/zinc/52/02/01/201520201.db2.gz ZVCDOPLDHDFBIN-MRXNPFEDSA-N -1 0 323.414 2.098 50 0 DEAARM O=C([O-])C1(NC(=O)c2cccc(-c3ccco3)c2)CCOCC1 ZINC000218261097 201535778 /nfs/dbraw/zinc/53/57/78/201535778.db2.gz RCQWXPLZBGYEMV-UHFFFAOYSA-N -1 0 315.325 2.310 50 0 DEAARM Cc1nc2ccccc2n1CCC(=O)N[C@@H](CC(=O)[O-])C(C)C ZINC000223718668 201653365 /nfs/dbraw/zinc/65/33/65/201653365.db2.gz LJMMSBHQNBRQGG-AWEZNQCLSA-N -1 0 317.389 2.350 50 0 DEAARM Cc1nc(CC(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cs1 ZINC000252431628 202836062 /nfs/dbraw/zinc/83/60/62/202836062.db2.gz MWIOHYMFKBUNTE-UHTWSYAYSA-N -1 0 308.403 2.238 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2c1OCO2 ZINC000299744222 304142154 /nfs/dbraw/zinc/14/21/54/304142154.db2.gz NZNLIEBQFQQIKG-DRZSPHRISA-N -1 0 317.341 2.273 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc2c1OCO2 ZINC000299744223 304149490 /nfs/dbraw/zinc/14/94/90/304149490.db2.gz NZNLIEBQFQQIKG-RTXFEEFZSA-N -1 0 317.341 2.273 50 0 DEAARM CCC(=O)Nc1cc(I)cc(C(=O)[O-])c1 ZINC000095989775 193481269 /nfs/dbraw/zinc/48/12/69/193481269.db2.gz SSIYPMIILWPAFH-UHFFFAOYSA-N -1 0 319.098 2.338 50 0 DEAARM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)nc2)cn1 ZINC000096435765 193642940 /nfs/dbraw/zinc/64/29/40/193642940.db2.gz LGEZPMJHDZLZGK-UHFFFAOYSA-N -1 0 314.798 2.388 50 0 DEAARM Cc1cn(C)c(CC(=O)NCc2ccc(C)cc2)c1C(=O)[O-] ZINC000008607788 181568637 /nfs/dbraw/zinc/56/86/37/181568637.db2.gz ORNKQUNAOKCVBM-UHFFFAOYSA-N -1 0 300.358 2.199 50 0 DEAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1OC ZINC000013252586 181839622 /nfs/dbraw/zinc/83/96/22/181839622.db2.gz YPHDSXOYHMVILX-NWDGAFQWSA-N -1 0 305.330 2.309 50 0 DEAARM COc1ccccc1CCNC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000013737115 181886852 /nfs/dbraw/zinc/88/68/52/181886852.db2.gz GKRNGMBBPQXUCW-KGLIPLIRSA-N -1 0 303.358 2.021 50 0 DEAARM CC(C)c1ccc(NC(=O)CSc2nc([O-])cc(=O)[nH]2)cc1 ZINC000016475518 182045692 /nfs/dbraw/zinc/04/56/92/182045692.db2.gz LMXCAKFKFSBKSS-UHFFFAOYSA-N -1 0 319.386 2.330 50 0 DEAARM O=c1nc(NC[C@H]2CCCO2)[n-]nc1Cc1ccc(Cl)cc1 ZINC000017044899 182070708 /nfs/dbraw/zinc/07/07/08/182070708.db2.gz VMHJKWOWJLSXOH-GFCCVEGCSA-N -1 0 320.780 2.000 50 0 DEAARM C[C@H](NC(=O)Cc1csc(-c2ccccc2F)n1)C(=O)[O-] ZINC000020727438 182244347 /nfs/dbraw/zinc/24/43/47/182244347.db2.gz RMTDVNNOFHIRAR-QMMMGPOBSA-N -1 0 308.334 2.081 50 0 DEAARM O=C([O-])CCCNC(=O)Cc1csc(-c2ccc(F)cc2)n1 ZINC000020744652 182245965 /nfs/dbraw/zinc/24/59/65/182245965.db2.gz IBLTWLGGWDMWOB-UHFFFAOYSA-N -1 0 322.361 2.473 50 0 DEAARM O=C([O-])CN(CC(=O)NCC1CCCCC1)c1ccccc1 ZINC000034926513 182744534 /nfs/dbraw/zinc/74/45/34/182744534.db2.gz HILITJXQFLNXNX-UHFFFAOYSA-N -1 0 304.390 2.274 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2sccc2-n2cccc2)C1 ZINC000037436529 182893427 /nfs/dbraw/zinc/89/34/27/182893427.db2.gz YLYDCSFQMOLAJM-NSHDSACASA-N -1 0 304.371 2.476 50 0 DEAARM COc1cccc2ccn(CCC(=O)NCCCC(=O)[O-])c21 ZINC000040309226 183053368 /nfs/dbraw/zinc/05/33/68/183053368.db2.gz UNJVFRWOLSBVDB-UHFFFAOYSA-N -1 0 304.346 2.021 50 0 biogenic DEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc(F)cc1 ZINC000492115906 249001232 /nfs/dbraw/zinc/00/12/32/249001232.db2.gz GKSRJYOWLUYEFW-KKTNHOPESA-N -1 0 321.348 2.321 50 0 DEAARM Cc1ccc(Cl)cc1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000041670503 183214634 /nfs/dbraw/zinc/21/46/34/183214634.db2.gz LKQQUEUPRZRSEQ-UHFFFAOYSA-N -1 0 320.732 2.147 50 0 DEAARM O=C([O-])[C@]1(NC(=O)Nc2ccccc2Cl)CCSC1 ZINC000043511163 304213888 /nfs/dbraw/zinc/21/38/88/304213888.db2.gz UMFATWRBEMOTMU-LBPRGKRZSA-N -1 0 300.767 2.422 50 0 DEAARM O=C([O-])CCc1nnc2ccc(-c3cccc(Cl)c3)nn21 ZINC000057352031 184034972 /nfs/dbraw/zinc/03/49/72/184034972.db2.gz PGCCHCVIIFQWJU-UHFFFAOYSA-N -1 0 302.721 2.462 50 0 DEAARM Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)C3CC3)C2)c(O)c1 ZINC000058433085 184117996 /nfs/dbraw/zinc/11/79/96/184117996.db2.gz TZBAXHLDQHUWPK-CYBMUJFWSA-N -1 0 302.374 2.288 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)COc2ccc(Cl)c(Cl)c2)C1 ZINC000062119117 184206806 /nfs/dbraw/zinc/20/68/06/184206806.db2.gz TZOBRCABHQEZBI-QMMMGPOBSA-N -1 0 318.156 2.305 50 0 DEAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)C1 ZINC000062119988 184207445 /nfs/dbraw/zinc/20/74/45/184207445.db2.gz YCJGIMIAWSDKIN-SSDOTTSWSA-N -1 0 324.185 2.089 50 0 DEAARM COc1ccc(Cl)cc1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062913556 184259415 /nfs/dbraw/zinc/25/94/15/184259415.db2.gz VRXRQUNASPKIEN-OAHLLOKOSA-N -1 0 311.765 2.214 50 0 DEAARM CCc1nc2sc(C)nn2c1S(=O)(=O)[N-]c1ccccc1 ZINC000065183927 184313992 /nfs/dbraw/zinc/31/39/92/184313992.db2.gz IUGILILKHQRAIR-UHFFFAOYSA-N -1 0 322.415 2.462 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2cn(C)c3ncccc23)cc1 ZINC000065242131 184317654 /nfs/dbraw/zinc/31/76/54/184317654.db2.gz UMDMOIDDUMFJRO-UHFFFAOYSA-N -1 0 317.370 2.383 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CCc2ccccc21 ZINC000065363741 184328627 /nfs/dbraw/zinc/32/86/27/184328627.db2.gz DDVFYOSSXIJRGR-OAHLLOKOSA-N -1 0 310.353 2.455 50 0 DEAARM COCCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(OC)c1 ZINC000069487754 184518961 /nfs/dbraw/zinc/51/89/61/184518961.db2.gz GWZHDTHBANRCSB-HOCLYGCPSA-N -1 0 321.373 2.096 50 0 DEAARM C[C@H](OCC(F)(F)F)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237560762 299554395 /nfs/dbraw/zinc/55/43/95/299554395.db2.gz DYRIGCPPASWZQI-VHSXEESVSA-N -1 0 311.300 2.200 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)[C@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000004041686 304246603 /nfs/dbraw/zinc/24/66/03/304246603.db2.gz DSQWDJQXFPYPEK-OAHLLOKOSA-N -1 0 322.320 2.278 50 0 biogenic DEAARM COc1cc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])ccc1OC(C)C ZINC000299748979 533127758 /nfs/dbraw/zinc/12/77/58/533127758.db2.gz ISZJCABCZXXMAK-DRZSPHRISA-N -1 0 321.373 2.380 50 0 DEAARM CCn1nc(C)c(-c2[nH]nc(C(=O)[O-])c2Br)c1C ZINC000216630211 257273300 /nfs/dbraw/zinc/27/33/00/257273300.db2.gz BOJASSOVABUUGE-UHFFFAOYSA-N -1 0 313.155 2.371 50 0 DEAARM Cn1ncc(C(=O)Nc2cccc(CC(=O)[O-])c2)c1-n1cccc1 ZINC000125048212 195707777 /nfs/dbraw/zinc/70/77/77/195707777.db2.gz SXOAZNOZFDJHAS-UHFFFAOYSA-N -1 0 324.340 2.090 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000262255707 145272317 /nfs/dbraw/zinc/27/23/17/145272317.db2.gz STBKYHVLKBXSHX-OAHLLOKOSA-N -1 0 317.385 2.410 50 0 DEAARM O=C([O-])CC1CCN(C(=O)CCC(=O)c2ccccc2)CC1 ZINC000262391167 145280585 /nfs/dbraw/zinc/28/05/85/145280585.db2.gz FWJNCGNIDAPEPR-UHFFFAOYSA-N -1 0 303.358 2.363 50 0 DEAARM Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])n1 ZINC000263060734 145322055 /nfs/dbraw/zinc/32/20/55/145322055.db2.gz SPYOYIYBAKNBIJ-CTASWTNQSA-N -1 0 319.405 2.163 50 0 DEAARM O=C([O-])[C@H]1CCO[C@H]1C1CCN(C(=O)CCC2CCC2)CC1 ZINC000263219514 145337362 /nfs/dbraw/zinc/33/73/62/145337362.db2.gz QJUBSGNKWNUJOK-HOCLYGCPSA-N -1 0 309.406 2.295 50 0 DEAARM O=C([O-])CCCn1cc(NC(=O)Cc2ccccc2F)cn1 ZINC000006728909 401732129 /nfs/dbraw/zinc/73/21/29/401732129.db2.gz ZCXVJQKEDRBTBG-UHFFFAOYSA-N -1 0 305.309 2.068 50 0 DEAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N1CCc2ccccc21 ZINC000007708371 401743617 /nfs/dbraw/zinc/74/36/17/401743617.db2.gz AGOPPDFAPRQKKS-UHFFFAOYSA-N -1 0 317.366 2.445 50 0 DEAARM O=C([O-])CCC(=O)Nc1ccn(Cc2ccc(Cl)cc2)n1 ZINC000000215074 401690700 /nfs/dbraw/zinc/69/07/00/401690700.db2.gz BBUIRFMLLUQKFA-UHFFFAOYSA-N -1 0 307.737 2.388 50 0 DEAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC ZINC000000278488 401693376 /nfs/dbraw/zinc/69/33/76/401693376.db2.gz ITCRVQYXNASVEK-NSHDSACASA-N -1 0 319.313 2.243 50 0 DEAARM COC(=O)c1sccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000000384260 401696060 /nfs/dbraw/zinc/69/60/60/401696060.db2.gz DQNMSZSPSGWMBM-UHFFFAOYSA-N -1 0 319.338 2.414 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 ZINC000000420156 401697336 /nfs/dbraw/zinc/69/73/36/401697336.db2.gz QLWLSZNKQJSZJE-UHFFFAOYSA-N -1 0 317.366 2.132 50 0 DEAARM CCCOc1ccc(OCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170726 401797651 /nfs/dbraw/zinc/79/76/51/401797651.db2.gz NWBHXPWLIINQTE-CYBMUJFWSA-N -1 0 321.373 2.177 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C[C@@H]1C=CCC1 ZINC000014372056 401811487 /nfs/dbraw/zinc/81/14/87/401811487.db2.gz QWBHBSSYVPDSHZ-SNVBAGLBSA-N -1 0 303.387 2.299 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)[N-]c2cnc(N(C)C)nc2)c(C)c1 ZINC000075162051 401753169 /nfs/dbraw/zinc/75/31/69/401753169.db2.gz LTGYFUSESGXEQZ-UHFFFAOYSA-N -1 0 320.418 2.269 50 0 DEAARM CC(C)(C)NC(=O)c1ccccc1NC(=O)CCCC(=O)[O-] ZINC000008556625 401754187 /nfs/dbraw/zinc/75/41/87/401754187.db2.gz BYBHJTBPKBOZCI-UHFFFAOYSA-N -1 0 306.362 2.408 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2cccc(C)n2)cc1OC ZINC000008697767 401755304 /nfs/dbraw/zinc/75/53/04/401755304.db2.gz QUJKXFDYENLPOY-UHFFFAOYSA-N -1 0 308.359 2.208 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(F)ccc2Cl)c[nH]1 ZINC000075582591 401763757 /nfs/dbraw/zinc/76/37/57/401763757.db2.gz CZJCBARQASGIRF-UHFFFAOYSA-N -1 0 318.713 2.306 50 0 DEAARM COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)on1 ZINC000016622538 401819223 /nfs/dbraw/zinc/81/92/23/401819223.db2.gz VMIKZUFXINAEHM-UHFFFAOYSA-N -1 0 302.739 2.446 50 0 DEAARM O=C([O-])Cc1csc(-c2ccc(CN3CCOCC3)cc2)n1 ZINC000031945039 401875236 /nfs/dbraw/zinc/87/52/36/401875236.db2.gz QPPRPCVNHIGAGS-UHFFFAOYSA-N -1 0 318.398 2.269 50 0 DEAARM Cc1nc(CCNC(=O)Cc2cccc(C(=O)[O-])c2)cs1 ZINC000133343593 401882379 /nfs/dbraw/zinc/88/23/79/401882379.db2.gz OWQWGSNJUATPIZ-UHFFFAOYSA-N -1 0 304.371 2.051 50 0 DEAARM O=C([O-])CCc1nnc(C(=O)Nc2ccc(F)cc2F)s1 ZINC000034927192 401894364 /nfs/dbraw/zinc/89/43/64/401894364.db2.gz WBIYOXJYXWIBMP-UHFFFAOYSA-N -1 0 313.285 2.086 50 0 DEAARM Cn1c2ccccc2c([C@H](C(=O)[O-])[NH+]2CCCC2)c1C(=O)[O-] ZINC000036358292 401904892 /nfs/dbraw/zinc/90/48/92/401904892.db2.gz VHVMSPQJYMTQFR-CQSZACIVSA-N -1 0 302.330 2.098 50 0 DEAARM O=C([O-])C1(NC(=O)c2cc(-c3cccnc3)on2)CCCCC1 ZINC000084425221 401905490 /nfs/dbraw/zinc/90/54/90/401905490.db2.gz NPAWPNLVJKJHPE-UHFFFAOYSA-N -1 0 315.329 2.254 50 0 DEAARM Cc1nn2c(nc(-c3cn(C)nc3C)cc2C(=O)[O-])c1Cl ZINC000036615708 401905895 /nfs/dbraw/zinc/90/58/95/401905895.db2.gz YPPIMWGJHCOKDT-UHFFFAOYSA-N -1 0 305.725 2.098 50 0 DEAARM O=C([O-])CCNc1c(-c2ccc(F)cc2)nc2cnccn21 ZINC000085347993 401914654 /nfs/dbraw/zinc/91/46/54/401914654.db2.gz GYMBKXJSDLWVHE-UHFFFAOYSA-N -1 0 300.293 2.422 50 0 DEAARM O=C([O-])C1(C(=O)NCCOc2ccccc2C(F)(F)F)CC1 ZINC000118967167 401916041 /nfs/dbraw/zinc/91/60/41/401916041.db2.gz RXZXGYVJPWRIRY-UHFFFAOYSA-N -1 0 317.263 2.065 50 0 DEAARM COc1ccc(CCCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000136472123 401968549 /nfs/dbraw/zinc/96/85/49/401968549.db2.gz LHDGESDHWTYQQC-OAHLLOKOSA-N -1 0 305.374 2.484 50 0 DEAARM O=C([O-])CCc1cc2n(n1)CCCN(Cc1ccsc1)C2 ZINC000095361270 402027596 /nfs/dbraw/zinc/02/75/96/402027596.db2.gz XHUVABPBRNJITN-UHFFFAOYSA-N -1 0 305.403 2.368 50 0 DEAARM Cc1ncsc1CCN(C)[C@H](C(=O)[O-])c1c(C)noc1C ZINC000095365874 402028244 /nfs/dbraw/zinc/02/82/44/402028244.db2.gz WWRZCMDCSCEOMG-ZDUSSCGKSA-N -1 0 309.391 2.357 50 0 DEAARM COc1ccc(F)c([C@H](C(=O)[O-])N(C)Cc2cc(C)no2)c1 ZINC000095385169 402031213 /nfs/dbraw/zinc/03/12/13/402031213.db2.gz JTIIIXHHUGNGSH-CQSZACIVSA-N -1 0 308.309 2.388 50 0 DEAARM Cc1noc(C)c1CC(=O)N[C@H](CC(=O)[O-])c1ccccc1 ZINC000095958131 402036546 /nfs/dbraw/zinc/03/65/46/402036546.db2.gz IXUFCCAYDPYVSQ-CQSZACIVSA-N -1 0 302.330 2.166 50 0 DEAARM COc1cccc(C(=O)NC(C)(C)C(C)(C)C(=O)[O-])c1OC ZINC000095961151 402037377 /nfs/dbraw/zinc/03/73/77/402037377.db2.gz SXWPSCSFRJRDIP-UHFFFAOYSA-N -1 0 309.362 2.323 50 0 DEAARM CCc1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)sc1C ZINC000095970153 402038496 /nfs/dbraw/zinc/03/84/96/402038496.db2.gz DVYSGNAQTBPBLK-UHFFFAOYSA-N -1 0 311.403 2.325 50 0 DEAARM COC(=O)C[C@H](c1ccccc1)c1c([O-])nc2ccccn2c1=O ZINC000096116605 402060240 /nfs/dbraw/zinc/06/02/40/402060240.db2.gz UOOSTIJEBHIQSA-CYBMUJFWSA-N -1 0 324.336 2.095 50 0 DEAARM COc1ccc2[nH]cc(CC(=O)N[C@@H]3CC[C@H](C(=O)[O-])C3)c2c1 ZINC000095991969 402043970 /nfs/dbraw/zinc/04/39/70/402043970.db2.gz CPIFWJLBEFVCJH-CMPLNLGQSA-N -1 0 316.357 2.089 50 0 DEAARM O=C([O-])CNc1cccc(C(=O)NCCCC[C@H]2CCCO2)c1 ZINC000055358980 402080748 /nfs/dbraw/zinc/08/07/48/402080748.db2.gz UPUQKBYQBXIKOM-HNNXBMFYSA-N -1 0 320.389 2.262 50 0 DEAARM O=S(=O)(Cc1ccon1)[N-][C@@H](C1CCCC1)C(F)(F)F ZINC000096502205 402098001 /nfs/dbraw/zinc/09/80/01/402098001.db2.gz AXUXRFQWTBEBGZ-JTQLQIEISA-N -1 0 312.313 2.215 50 0 DEAARM O=c1nc(-c2ccc(N3CCOCC3)nc2)[n-]c2ccsc21 ZINC000058210942 402098889 /nfs/dbraw/zinc/09/88/89/402098889.db2.gz MZCASIDZXSZGGD-UHFFFAOYSA-N -1 0 314.370 2.296 50 0 DEAARM Cc1noc(C)c1[C@@H](C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097045085 402101932 /nfs/dbraw/zinc/10/19/32/402101932.db2.gz URWBOEUKLLUISR-MFKMUULPSA-N -1 0 308.378 2.498 50 0 DEAARM C[C@@]1(C(=O)Nc2ccn(CC(=O)[O-])n2)CCCc2ccccc21 ZINC000122963860 402104038 /nfs/dbraw/zinc/10/40/38/402104038.db2.gz GSSQHDXBLGAXEZ-QGZVFWFLSA-N -1 0 313.357 2.200 50 0 DEAARM CC[C@@]1(C(=O)[O-])CN(C(=O)OCc2ccccc2)CCC1=O ZINC000066354526 402131884 /nfs/dbraw/zinc/13/18/84/402131884.db2.gz UPTYIDNXCOGZAM-MRXNPFEDSA-N -1 0 305.330 2.079 50 0 DEAARM CC(C)CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621191 402141715 /nfs/dbraw/zinc/14/17/15/402141715.db2.gz DDIRUPRZLAIQGK-UHFFFAOYSA-N -1 0 300.358 2.039 50 0 biogenic DEAARM CCOC(=O)c1c([O-])c2cccnc2n(CCC(C)C)c1=O ZINC000100227088 402140370 /nfs/dbraw/zinc/14/03/70/402140370.db2.gz FQBGHCGZOAYBTH-UHFFFAOYSA-N -1 0 304.346 2.325 50 0 DEAARM C[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000069568825 402231392 /nfs/dbraw/zinc/23/13/92/402231392.db2.gz QPTVCMSLZKLQPX-NSHDSACASA-N -1 0 324.340 2.381 50 0 DEAARM CCN(CC(=O)NCC(=O)[O-])Cc1ccc(Cl)c(Cl)c1 ZINC000225568735 402321766 /nfs/dbraw/zinc/32/17/66/402321766.db2.gz ZQBWNGSULXLSRD-UHFFFAOYSA-N -1 0 319.188 2.016 50 0 DEAARM COc1cccc(-n2c(SCC(=O)[O-])nnc2[C@@H](C)OC)c1 ZINC000071278545 402271836 /nfs/dbraw/zinc/27/18/36/402271836.db2.gz CXWXKMUFQAZOSJ-SECBINFHSA-N -1 0 323.374 2.160 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000071280143 402271983 /nfs/dbraw/zinc/27/19/83/402271983.db2.gz FEOIIGRMOBHIIJ-BDAKNGLRSA-N -1 0 313.151 2.139 50 0 DEAARM O=C([O-])c1nc[nH]c1C(=O)N[C@H](c1ccco1)c1ccccc1 ZINC000215300862 402281766 /nfs/dbraw/zinc/28/17/66/402281766.db2.gz JPTDSTDXTPAJHQ-LBPRGKRZSA-N -1 0 311.297 2.220 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)n1 ZINC000236662541 402372180 /nfs/dbraw/zinc/37/21/80/402372180.db2.gz SMNZMVMLRRKPJD-INIZCTEOSA-N -1 0 323.393 2.013 50 0 DEAARM CN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F ZINC000237149541 402396873 /nfs/dbraw/zinc/39/68/73/402396873.db2.gz MVMWAJPSPOCCPD-NXEZZACHSA-N -1 0 301.264 2.352 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000238002483 402431136 /nfs/dbraw/zinc/43/11/36/402431136.db2.gz ZSDGLKDRFNEKPI-GFCCVEGCSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])C1(NC(=O)c2occc2Br)CCCC1 ZINC000238096046 402437380 /nfs/dbraw/zinc/43/73/80/402437380.db2.gz NLHXZWHZMCGSQV-UHFFFAOYSA-N -1 0 302.124 2.169 50 0 DEAARM CCOc1cccc(S(=O)(=O)[N-]c2nnc(CC3CC3)o2)c1 ZINC000240555603 402442503 /nfs/dbraw/zinc/44/25/03/402442503.db2.gz GWPJDZKHGXGPGJ-UHFFFAOYSA-N -1 0 323.374 2.222 50 0 DEAARM CC[C@@H](C(=O)[O-])N(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000242390283 402444289 /nfs/dbraw/zinc/44/42/89/402444289.db2.gz AINBQGIQUCMMGT-JTQLQIEISA-N -1 0 309.746 2.108 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)/C=C/c2cncc(F)c2)c1 ZINC000170591985 402505787 /nfs/dbraw/zinc/50/57/87/402505787.db2.gz COOQOWVVNVVMMH-SNAWJCMRSA-N -1 0 300.289 2.249 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000262012520 402721191 /nfs/dbraw/zinc/72/11/91/402721191.db2.gz WODAZTYWEYDOMD-NSHDSACASA-N -1 0 305.330 2.132 50 0 DEAARM CC(C)C(=O)N1CCC(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000191339348 402662031 /nfs/dbraw/zinc/66/20/31/402662031.db2.gz WODWLHAKTLJJGF-UHFFFAOYSA-N -1 0 324.402 2.279 50 0 DEAARM Cc1ccc(CC(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)s1 ZINC000263147157 402745577 /nfs/dbraw/zinc/74/55/77/402745577.db2.gz XCRBVSNGNJNXJA-GFCCVEGCSA-N -1 0 321.320 2.465 50 0 DEAARM O=C([O-])c1ccc(CC(=O)N[C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1 ZINC000263317379 402758046 /nfs/dbraw/zinc/75/80/46/402758046.db2.gz IATZFFNZEGDTBF-CGTJXYLNSA-N -1 0 307.349 2.382 50 0 DEAARM CC(C)(C(=O)[O-])n1cc(NC(=O)c2ccc3c(c2)CCC3)cn1 ZINC000193011823 402760584 /nfs/dbraw/zinc/76/05/84/402760584.db2.gz YAJQCYAFLKPCOR-UHFFFAOYSA-N -1 0 313.357 2.444 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2cc3c(cc2F)NC(=O)CC3)C1 ZINC000263361038 402762404 /nfs/dbraw/zinc/76/24/04/402762404.db2.gz YJMUJUCMRXMMMP-VHSXEESVSA-N -1 0 320.320 2.150 50 0 DEAARM CCC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000263465979 402771721 /nfs/dbraw/zinc/77/17/21/402771721.db2.gz GFMUAQZNXOOPFN-NSHDSACASA-N -1 0 319.361 2.364 50 0 DEAARM CCC[C@@H](NC(=O)c1cc(C)n(-c2ccccc2)n1)C(=O)[O-] ZINC000195551785 402850847 /nfs/dbraw/zinc/85/08/47/402850847.db2.gz ONXOYVKNEKJUCP-CYBMUJFWSA-N -1 0 301.346 2.164 50 0 DEAARM CCC(CC)(CO)CN(C)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000426624796 405371537 /nfs/dbraw/zinc/37/15/37/405371537.db2.gz RZPOUQIANNDJIQ-UHFFFAOYSA-N -1 0 323.389 2.264 50 0 DEAARM C[C@@H](C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000639429727 406085585 /nfs/dbraw/zinc/08/55/85/406085585.db2.gz KIPUOYOEBNIGTE-ZYHUDNBSSA-N -1 0 303.362 2.370 50 0 DEAARM Cc1nc(CCN(C)Cc2nc(=O)c3sccc3[n-]2)cs1 ZINC000131558775 196180238 /nfs/dbraw/zinc/18/02/38/196180238.db2.gz JCGRJYHCTZLAMB-UHFFFAOYSA-N -1 0 320.443 2.424 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000136122419 196521123 /nfs/dbraw/zinc/52/11/23/196521123.db2.gz YGTSVKBCQUENGM-CQSZACIVSA-N -1 0 303.358 2.412 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cccc(Oc3ccncc3)c2)C1 ZINC000178270360 224855722 /nfs/dbraw/zinc/85/57/22/224855722.db2.gz HBMPSEUBKZFWQZ-ZDUSSCGKSA-N -1 0 312.325 2.421 50 0 DEAARM CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)[N-]c1ccccn1)C(=O)C2 ZINC000003841549 418413216 /nfs/dbraw/zinc/41/32/16/418413216.db2.gz NZJRKZFTKAPINZ-IAQYHMDHSA-N -1 0 308.403 2.219 50 0 DEAARM O=S(=O)([N-]c1ccc(C2CC2)nn1)c1ccc(F)c(F)c1 ZINC000408514784 227235756 /nfs/dbraw/zinc/23/57/56/227235756.db2.gz OANIBBGQDGXOHK-UHFFFAOYSA-N -1 0 311.313 2.433 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnc(-c3cccs3)s2)C1 ZINC000299744883 229385026 /nfs/dbraw/zinc/38/50/26/229385026.db2.gz VFSOBEDITOALBY-MRVPVSSYSA-N -1 0 308.384 2.418 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)C2(c3cccc(Cl)c3)CCC2)CCO1 ZINC000299745238 229386451 /nfs/dbraw/zinc/38/64/51/229386451.db2.gz XBAXJJHCTGLVCX-CYBMUJFWSA-N -1 0 323.776 2.074 50 0 DEAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000299747813 229392257 /nfs/dbraw/zinc/39/22/57/229392257.db2.gz FDPPKIJUACMTSI-MNOVXSKESA-N -1 0 301.264 2.085 50 0 DEAARM COC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000048382384 424832516 /nfs/dbraw/zinc/83/25/16/424832516.db2.gz XZGZKNQONOOMCZ-OLZOCXBDSA-N -1 0 318.329 2.470 50 0 DEAARM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cc(F)ccc1Cl ZINC000650232692 424966288 /nfs/dbraw/zinc/96/62/88/424966288.db2.gz JKPTXUQKKNDHFP-GMSGAONNSA-N -1 0 321.757 2.105 50 0 DEAARM C[C@@H]1C[C@H](C)[C@@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)O1 ZINC000649239846 424975133 /nfs/dbraw/zinc/97/51/33/424975133.db2.gz LCUSMPOUMRHSRY-ZENOOKHLSA-N -1 0 305.374 2.303 50 0 DEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000070666376 281435850 /nfs/dbraw/zinc/43/58/50/281435850.db2.gz HPVJYDOAPSFAGJ-HUUCEWRRSA-N -1 0 312.369 2.409 50 0 biogenic DEAARM Cc1cc(=O)n(-c2cc(Cl)c(S(=O)(=O)[O-])cc2Cl)[nH]1 ZINC000004720974 281699607 /nfs/dbraw/zinc/69/96/07/281699607.db2.gz KCEIVWKDBLAQKL-UHFFFAOYSA-N -1 0 323.157 2.353 50 0 DEAARM CO[N-]C(=O)[C@@H]1CCCCN1C(=O)/C=C\c1ccc(Cl)cc1 ZINC000056687995 293374669 /nfs/dbraw/zinc/37/46/69/293374669.db2.gz GCZGKKBKFKEZCP-YHAOYDPOSA-N -1 0 322.792 2.412 50 0 DEAARM O=S(=O)([N-]c1nnc[nH]1)c1ccccc1-c1ccccc1 ZINC000225549730 304768047 /nfs/dbraw/zinc/76/80/47/304768047.db2.gz QHCYZECDWBODMX-UHFFFAOYSA-N -1 0 300.343 2.273 50 0 DEAARM CC(C)[C@@H](NC(=O)c1cccc(C(=O)[O-])c1)c1nccn1C ZINC000534581099 334289290 /nfs/dbraw/zinc/28/92/90/334289290.db2.gz MJBNHFUMIRNLQL-CYBMUJFWSA-N -1 0 301.346 2.245 50 0 DEAARM COc1ccc(-c2cnn([C@@H](C)C(=O)[O-])c2)c(OC)c1OC ZINC000534586721 334292129 /nfs/dbraw/zinc/29/21/29/334292129.db2.gz SMCUJWQPKVTYQF-VIFPVBQESA-N -1 0 306.318 2.222 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000299741230 534522742 /nfs/dbraw/zinc/52/27/42/534522742.db2.gz DYWLUBISNVPCAZ-SNVBAGLBSA-N -1 0 319.748 2.072 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000299743995 534858121 /nfs/dbraw/zinc/85/81/21/534858121.db2.gz NEFQDOKUJAKMAI-QGZVFWFLSA-N -1 0 321.421 2.022 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@](C(=O)[O-])(C(=O)OC(C)(C)C)C1 ZINC000407986132 526423101 /nfs/dbraw/zinc/42/31/01/526423101.db2.gz FKLBGTXGWABOML-HNNXBMFYSA-N -1 0 315.366 2.040 50 0 DEAARM COc1ccccc1/C(C)=C/C(=O)Nc1ccn(CC(=O)[O-])n1 ZINC000123076406 599733455 /nfs/dbraw/zinc/73/34/55/599733455.db2.gz SKRDQADGGYGZKI-PKNBQFBNSA-N -1 0 315.329 2.018 50 0 DEAARM CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191382149 602184918 /nfs/dbraw/zinc/18/49/18/602184918.db2.gz QQMVJBXSSHIIJE-JTQLQIEISA-N -1 0 310.375 2.176 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OCCCF ZINC000952994315 635216643 /nfs/dbraw/zinc/21/66/43/635216643.db2.gz ZFCQFKWORLXOIK-YUMQZZPRSA-N -1 0 301.236 2.210 50 0 DEAARM O=C(NCc1nnn[n-]1)OCC1c2ccccc2-c2ccccc21 ZINC000070915907 683927667 /nfs/dbraw/zinc/92/76/67/683927667.db2.gz LNMWKUOAUJWUPR-UHFFFAOYSA-N -1 0 321.340 2.238 50 0 DEAARM C[C@@H](CN(C)C(=O)C=Cc1cccc2cccnc12)c1nnn[n-]1 ZINC000124657364 684137204 /nfs/dbraw/zinc/13/72/04/684137204.db2.gz DMBYEDKINDVHFY-BCPZQOPPSA-N -1 0 322.372 2.023 50 0 DEAARM C[C@@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C[C@H]1n1ccnc1 ZINC000887557533 692399611 /nfs/dbraw/zinc/39/96/11/692399611.db2.gz SVRSWXNLOIQDRY-CHWSQXEVSA-N -1 0 307.394 2.184 50 0 DEAARM O=C([O-])c1ccc(C(=O)NCC2(C(F)(F)F)CCC2)cn1 ZINC000888091008 692520845 /nfs/dbraw/zinc/52/08/45/692520845.db2.gz AVZCDKANWSLQBI-UHFFFAOYSA-N -1 0 302.252 2.242 50 0 DEAARM CCOc1nn(C)c2ccc(NC(=O)C[C@H](C)CC(=O)[O-])cc12 ZINC000675028404 778341053 /nfs/dbraw/zinc/34/10/53/778341053.db2.gz SGWHUINUYNJFHC-JTQLQIEISA-N -1 0 319.361 2.411 50 0 DEAARM Cc1ncc(C(=O)[O-])cc1NC(=O)C[C@@H]1CSCCS1 ZINC000952850572 792777839 /nfs/dbraw/zinc/77/78/39/792777839.db2.gz ZGHOLSJZKYJOBV-SNVBAGLBSA-N -1 0 312.416 2.265 50 0 DEAARM CSc1ncc(C(=O)[O-])c(N(C)CC[C@@H]2CCCCO2)n1 ZINC001529120331 1070868181 /nfs/dbraw/zinc/86/81/81/1070868181.db2.gz XCQCVUIZAKHLDB-JTQLQIEISA-N -1 0 311.407 2.292 50 0 DEAARM CN(C[C@@H]1CCN(c2ccccc2)C1)c1nc(C(=O)[O-])co1 ZINC001529133691 1070872384 /nfs/dbraw/zinc/87/23/84/1070872384.db2.gz DDJQMCWZESTDDD-LBPRGKRZSA-N -1 0 301.346 2.336 50 0 DEAARM O=C([O-])CCCC(=O)NC1CCN(c2ccccc2F)CC1 ZINC000426489311 230801659 /nfs/dbraw/zinc/80/16/59/230801659.db2.gz DBLUZWNKYSVLNK-UHFFFAOYSA-N -1 0 308.353 2.166 50 0 DEAARM CCC[C@@H](NC(=O)c1cc(C)n(C2CC2)c1C)c1nnn[n-]1 ZINC000089949648 185271019 /nfs/dbraw/zinc/27/10/19/185271019.db2.gz HKJQVADGEXGHDE-CYBMUJFWSA-N -1 0 302.382 2.224 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000225456348 201713181 /nfs/dbraw/zinc/71/31/81/201713181.db2.gz DIZQIAODMZPLNK-SNVBAGLBSA-N -1 0 320.370 2.269 50 0 DEAARM CN(Cc1ccccn1)[C@@H](C(=O)[O-])c1ccc2c(c1)OCCO2 ZINC000095391593 185351363 /nfs/dbraw/zinc/35/13/63/185351363.db2.gz SOBADFPUDBHDNQ-MRXNPFEDSA-N -1 0 314.341 2.111 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H](C)CC(=O)[O-] ZINC000095425005 185361367 /nfs/dbraw/zinc/36/13/67/185361367.db2.gz LGVOFSWVEFEREQ-LLVKDONJSA-N -1 0 309.410 2.068 50 0 DEAARM COCCCC(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000095424681 185361389 /nfs/dbraw/zinc/36/13/89/185361389.db2.gz OUVOBZRLWPROCR-UHFFFAOYSA-N -1 0 315.316 2.195 50 0 DEAARM Cc1noc2ncc([N-]S(=O)(=O)c3cn(C(C)C)cn3)cc12 ZINC000095435899 185364799 /nfs/dbraw/zinc/36/47/99/185364799.db2.gz DIORJNIBYSJFNA-UHFFFAOYSA-N -1 0 321.362 2.109 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccc3ncccc3c2)cn1 ZINC000095447434 185367936 /nfs/dbraw/zinc/36/79/36/185367936.db2.gz HHDIKOGJNSCERZ-UHFFFAOYSA-N -1 0 302.359 2.252 50 0 DEAARM CCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)[nH]n1 ZINC000097017500 185397744 /nfs/dbraw/zinc/39/77/44/185397744.db2.gz YPNAQIZPBOAXER-GFCCVEGCSA-N -1 0 305.309 2.057 50 0 DEAARM Cc1ncsc1C(=O)NC[C@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000097018854 185398084 /nfs/dbraw/zinc/39/80/84/185398084.db2.gz DKGBKTXBGPDGSC-ZDUSSCGKSA-N -1 0 318.398 2.433 50 0 DEAARM Cc1c(C(=O)NCC(C)(C)C(=O)[O-])cnn1-c1ccccc1 ZINC000097018903 185398108 /nfs/dbraw/zinc/39/81/08/185398108.db2.gz VGOKXXDZCZBLQI-UHFFFAOYSA-N -1 0 301.346 2.021 50 0 DEAARM O=S(=O)([O-])OCCNc1ccnc2cc(Cl)ccc21 ZINC000071767187 191029040 /nfs/dbraw/zinc/02/90/40/191029040.db2.gz PBXJNHBPWNWICW-UHFFFAOYSA-N -1 0 302.739 2.120 50 0 DEAARM CC(=O)N[C@H](Cc1ccc(C(=O)c2ccccc2)cc1)C(=O)[O-] ZINC000002567641 180935762 /nfs/dbraw/zinc/93/57/62/180935762.db2.gz WLYJTWQCNXWBRA-MRXNPFEDSA-N -1 0 311.337 2.049 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](C(=O)[O-])[C@H](O)c1cccc(Cl)c1 ZINC000004299319 181094678 /nfs/dbraw/zinc/09/46/78/181094678.db2.gz WDPBUGSOFADJLV-WDEREUQCSA-N -1 0 315.753 2.351 50 0 DEAARM CSc1ccccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004650981 181132095 /nfs/dbraw/zinc/13/20/95/181132095.db2.gz SJHBBAFQUSGOOG-DNIRFERGSA-N -1 0 305.355 2.001 50 0 DEAARM Cc1ccc(S(=O)(=O)N[C@H](C(=O)[O-])C2=CCC=CC2)cc1 ZINC000004746091 181146732 /nfs/dbraw/zinc/14/67/32/181146732.db2.gz QUNCCXMSWGCQCH-AWEZNQCLSA-N -1 0 307.371 2.003 50 0 DEAARM O=C(NCCc1ccccc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215043 354680196 /nfs/dbraw/zinc/68/01/96/354680196.db2.gz UKSOZEDYHZLTRB-UHFFFAOYSA-N -1 0 314.366 2.268 50 0 DEAARM O=S(=O)([N-]c1cccn2ncnc12)c1ccc(Cl)s1 ZINC000065284049 354681749 /nfs/dbraw/zinc/68/17/49/354681749.db2.gz LYNJVKNHKDOVCP-UHFFFAOYSA-N -1 0 314.779 2.245 50 0 DEAARM O=S(=O)([N-]c1cccn2ncnc12)c1ccc(Cl)cc1 ZINC000065284056 354681872 /nfs/dbraw/zinc/68/18/72/354681872.db2.gz VUCUBTJUVPNJCZ-UHFFFAOYSA-N -1 0 308.750 2.184 50 0 DEAARM CC(=O)Oc1cccc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000004828782 181158297 /nfs/dbraw/zinc/15/82/97/181158297.db2.gz LFRZQUKUPDDBSK-UHFFFAOYSA-N -1 0 315.281 2.268 50 0 DEAARM O=C(c1ccc2c(c1)OCO2)c1cc2ccc([O-])cc2oc1=O ZINC000004937848 181175677 /nfs/dbraw/zinc/17/56/77/181175677.db2.gz DNDFYXYYDUAPFK-UHFFFAOYSA-N -1 0 310.261 2.458 50 0 DEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ncccc2C)c1 ZINC000004970479 181181130 /nfs/dbraw/zinc/18/11/30/181181130.db2.gz DGHVURHUVFYOQD-UHFFFAOYSA-N -1 0 308.359 2.208 50 0 DEAARM CC[C@@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@H]1c1ccccc1 ZINC000074828125 191367282 /nfs/dbraw/zinc/36/72/82/191367282.db2.gz FCCWPBOUOBHFNP-DGCLKSJQSA-N -1 0 300.362 2.166 50 0 DEAARM CC[C@H](NC(=O)c1cc(F)c(F)c([O-])c1F)c1noc(C)n1 ZINC000097237132 355703785 /nfs/dbraw/zinc/70/37/85/355703785.db2.gz VYBMIVJWANWUAS-QMMMGPOBSA-N -1 0 315.251 2.382 50 0 DEAARM NC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCCC2 ZINC000005382529 181237125 /nfs/dbraw/zinc/23/71/25/181237125.db2.gz QYZLKQWVLBQWHR-BQYQJAHWSA-N -1 0 322.386 2.085 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000195090895 356250055 /nfs/dbraw/zinc/25/00/55/356250055.db2.gz YYAUESIONJRQKS-LBPRGKRZSA-N -1 0 313.357 2.347 50 0 DEAARM O=C([O-])CCN(C(=O)c1cccc(Cl)c1)C1CCOCC1 ZINC000238075303 304052094 /nfs/dbraw/zinc/05/20/94/304052094.db2.gz SNERQPCEUJWIPP-UHFFFAOYSA-N -1 0 311.765 2.436 50 0 DEAARM CCOC1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000237027625 202126881 /nfs/dbraw/zinc/12/68/81/202126881.db2.gz PLAVGKQIRFTXGN-UHFFFAOYSA-N -1 0 305.374 2.345 50 0 DEAARM COc1ccccc1/C(C)=C/C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237090374 202149727 /nfs/dbraw/zinc/14/97/27/202149727.db2.gz NXQCAVNYBQTJLI-JICACKBISA-N -1 0 303.358 2.422 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCC[C@@H]2CCC(=O)[O-])sc1C ZINC000585091296 540256827 /nfs/dbraw/zinc/25/68/27/540256827.db2.gz YVXWPYRRJJYREV-LLVKDONJSA-N -1 0 317.432 2.383 50 0 DEAARM COc1ccc2c(CC(=O)N3CC[C@](C)(C(=O)[O-])C3)coc2c1 ZINC000237267600 202211823 /nfs/dbraw/zinc/21/18/23/202211823.db2.gz UXXLNYHIGXLZLQ-KRWDZBQOSA-N -1 0 317.341 2.307 50 0 DEAARM COc1cc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)sn1 ZINC000585134790 357335882 /nfs/dbraw/zinc/33/58/82/357335882.db2.gz JZAQWLAUQGFWMT-VIFPVBQESA-N -1 0 300.380 2.019 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C\c2cc3ccccc3o2)CCO1 ZINC000492120114 304077002 /nfs/dbraw/zinc/07/70/02/304077002.db2.gz SKQMOLMDALFTOI-GEXIGZQTSA-N -1 0 315.325 2.148 50 0 DEAARM C[C@H](NC(=O)[C@@H]1CCCO[C@H]1C)c1ccc(OCC(=O)[O-])cc1 ZINC000668289763 540638231 /nfs/dbraw/zinc/63/82/31/540638231.db2.gz CRGKHDSKQFDNJC-SLEUVZQESA-N -1 0 321.373 2.142 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000237652825 202319237 /nfs/dbraw/zinc/31/92/37/202319237.db2.gz BAIDZAYJXWUBEF-INIZCTEOSA-N -1 0 317.320 2.153 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)CCCOc2ccc(F)cc2)C1 ZINC000237942629 202397986 /nfs/dbraw/zinc/39/79/86/202397986.db2.gz HSNKNQYMIKPZFR-GFCCVEGCSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@@]3(CCOC3)C2)cc1 ZINC000606441845 361008023 /nfs/dbraw/zinc/00/80/23/361008023.db2.gz NBIWTTYHAADCPU-GPCFVJJQSA-N -1 0 301.342 2.037 50 0 DEAARM Cc1cc(SCc2n[n-]c(=S)o2)nc(N2CCCC2)n1 ZINC000006826170 181395436 /nfs/dbraw/zinc/39/54/36/181395436.db2.gz 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O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)C[C@@H]1CCCCO1 ZINC000262050738 203183852 /nfs/dbraw/zinc/18/38/52/203183852.db2.gz CUQUPLVVZUWUDL-BBRMVZONSA-N -1 0 303.358 2.156 50 0 DEAARM CCc1ocnc1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262509048 203313032 /nfs/dbraw/zinc/31/30/32/203313032.db2.gz JRMKZCSHFWMPRA-CQSZACIVSA-N -1 0 300.314 2.061 50 0 DEAARM Cc1ccc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(O)c1 ZINC000262804650 203407333 /nfs/dbraw/zinc/40/73/33/203407333.db2.gz NBJFSGWAUSSQER-CYBMUJFWSA-N -1 0 317.263 2.180 50 0 DEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)[C@H]1Cc2ccccc2O1 ZINC000095953027 193457173 /nfs/dbraw/zinc/45/71/73/193457173.db2.gz PKBJJGYXUIFTAH-MRXNPFEDSA-N -1 0 311.337 2.347 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)no1 ZINC000096448166 193651205 /nfs/dbraw/zinc/65/12/05/193651205.db2.gz SYPLWWUVOSWDFK-UHFFFAOYSA-N -1 0 318.358 2.029 50 0 DEAARM CC1CCN(C(=O)c2ccc(NC(=O)CCC(=O)[O-])cc2)CC1 ZINC000010460594 181671693 /nfs/dbraw/zinc/67/16/93/181671693.db2.gz 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321.288 2.295 50 0 DEAARM C=CC(=O)NCCNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000002171648 401712008 /nfs/dbraw/zinc/71/20/08/401712008.db2.gz UKXRCZRKUIEYHC-UHFFFAOYSA-N -1 0 318.760 2.231 50 0 DEAARM O=C([O-])CN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O ZINC000002418920 401713610 /nfs/dbraw/zinc/71/36/10/401713610.db2.gz NZKJOIVNMMAUDS-VZUCSPMQSA-N -1 0 302.311 2.289 50 0 DEAARM CCOc1cc(C(=O)N2CCC[C@H](C(=O)[O-])C2)ccc1OC ZINC000013171019 401797819 /nfs/dbraw/zinc/79/78/19/401797819.db2.gz LOTVLMJZLAZABN-LBPRGKRZSA-N -1 0 307.346 2.031 50 0 DEAARM Cc1ccc(C(=O)[O-])cc1OCC(=O)NCCCOC(C)C ZINC000013278166 401798339 /nfs/dbraw/zinc/79/83/39/401798339.db2.gz YDCVPNDLEPJMSS-UHFFFAOYSA-N -1 0 309.362 2.003 50 0 DEAARM CCNC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013254282 401798401 /nfs/dbraw/zinc/79/84/01/401798401.db2.gz HNXWUDVVIHTKKH-UONOGXRCSA-N -1 0 316.357 2.042 50 0 DEAARM COC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)[n-]n2c1=O ZINC000008548342 401754162 /nfs/dbraw/zinc/75/41/62/401754162.db2.gz 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401898250 /nfs/dbraw/zinc/89/82/50/401898250.db2.gz UCHIXSMQGKYCGD-LLVKDONJSA-N -1 0 307.737 2.439 50 0 DEAARM Cc1ccc([C@@H](C)NC(=O)c2c(C(=O)[O-])cnn2C)c(C)c1 ZINC000036615499 401905786 /nfs/dbraw/zinc/90/57/86/401905786.db2.gz JCGKBARGQIJRSM-LLVKDONJSA-N -1 0 301.346 2.226 50 0 DEAARM O=C([O-])CN(C(=O)c1cc(Br)ccc1F)C1CC1 ZINC000037588504 401915502 /nfs/dbraw/zinc/91/55/02/401915502.db2.gz KFYOUAIQZKJBQH-UHFFFAOYSA-N -1 0 316.126 2.277 50 0 DEAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136125709 401960448 /nfs/dbraw/zinc/96/04/48/401960448.db2.gz FHZLQGLTXLSTST-NSHDSACASA-N -1 0 318.329 2.109 50 0 DEAARM C[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000137136977 401979895 /nfs/dbraw/zinc/97/98/95/401979895.db2.gz WDPACGBINMSIBQ-GFCCVEGCSA-N -1 0 305.374 2.343 50 0 DEAARM Cc1cc(C)cc(N(C)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c1 ZINC000049986367 402023579 /nfs/dbraw/zinc/02/35/79/402023579.db2.gz RUJGCJWBGVPXAQ-UHFFFAOYSA-N -1 0 308.359 2.155 50 0 DEAARM 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ZINC000071281708 402271950 /nfs/dbraw/zinc/27/19/50/402271950.db2.gz GEPWRFGNWFRISU-KGLIPLIRSA-N -1 0 313.357 2.476 50 0 DEAARM O=C([O-])CC1(NC(=O)COCc2ccccc2)CCCCC1 ZINC000218971576 402297359 /nfs/dbraw/zinc/29/73/59/402297359.db2.gz UVIUXNFAGLMCIX-UHFFFAOYSA-N -1 0 305.374 2.497 50 0 DEAARM CC[C@H]1C[C@]1(NC(=O)C1=C[C@@H](CC)C[C@@H]2C(=O)CC[C@H]12)C(=O)[O-] ZINC000220293324 402301447 /nfs/dbraw/zinc/30/14/47/402301447.db2.gz FMGBNISRFNDECK-MXCJQZOTSA-N -1 0 319.401 2.308 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)CCc1nc2c(cccc2C)[nH]1)C(=O)[O-] ZINC000225482443 402319061 /nfs/dbraw/zinc/31/90/61/402319061.db2.gz FGSBQDWZQUOGPF-QFYYESIMSA-N -1 0 317.389 2.419 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccccc2F)c2ccccc21 ZINC000177470770 402406093 /nfs/dbraw/zinc/40/60/93/402406093.db2.gz SGJMEESZQMUMFW-GFCCVEGCSA-N -1 0 315.300 2.420 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000237949972 402427535 /nfs/dbraw/zinc/42/75/35/402427535.db2.gz XOCJQSSKHMDDRR-SECBINFHSA-N -1 0 317.263 2.017 50 0 DEAARM O=C([O-])C[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cccs1 ZINC000237962945 402428443 /nfs/dbraw/zinc/42/84/43/402428443.db2.gz VPXDDRDYPJYJHV-AAEUAGOBSA-N -1 0 317.366 2.384 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)CCOc1ccc(F)cc1Cl ZINC000238066259 402436355 /nfs/dbraw/zinc/43/63/55/402436355.db2.gz WYCIWMQEEZKULN-LLVKDONJSA-N -1 0 315.728 2.324 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCO1 ZINC000238129834 402438223 /nfs/dbraw/zinc/43/82/23/402438223.db2.gz LSPNQFBNGWLSBL-CQSZACIVSA-N -1 0 319.288 2.011 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2ncoc2[C@H]2CCCO2)cc1 ZINC000238129687 402438658 /nfs/dbraw/zinc/43/86/58/402438658.db2.gz UBHRPUVZPUHFRM-GFCCVEGCSA-N -1 0 316.313 2.154 50 0 DEAARM Cc1ccc(C(=O)NC(C)(C)C(=O)[O-])c(Br)c1 ZINC000163609729 402453796 /nfs/dbraw/zinc/45/37/96/402453796.db2.gz RMWMLYXJGHWMHL-UHFFFAOYSA-N -1 0 300.152 2.351 50 0 DEAARM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)c1ccoc1 ZINC000252499900 402656842 /nfs/dbraw/zinc/65/68/42/402656842.db2.gz SIKAJDYTOBFUFU-UHFFFAOYSA-N -1 0 309.343 2.024 50 0 DEAARM Cc1nc2c(c(=O)[nH]1)CCN(C(=O)c1ccc(Cl)s1)CC2 ZINC000257193038 402701972 /nfs/dbraw/zinc/70/19/72/402701972.db2.gz RFKYZXADHWJRGG-UHFFFAOYSA-N -1 0 323.805 2.447 50 0 DEAARM Cc1cccc([C@H](NC(=O)[C@H]2CCO[C@@H](C)C2)C(=O)[O-])c1C ZINC000263165958 402746599 /nfs/dbraw/zinc/74/65/99/402746599.db2.gz VUVULKXHUZLLIO-WHOFXGATSA-N -1 0 305.374 2.360 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000269050922 403123062 /nfs/dbraw/zinc/12/30/62/403123062.db2.gz VIUCZHFCQJRPHG-LSYCYVAJSA-N -1 0 309.312 2.392 50 0 DEAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3ccccc3)sc2C(=O)C1 ZINC000299795703 403577496 /nfs/dbraw/zinc/57/74/96/403577496.db2.gz NJKUFKZYKXWCLL-SECBINFHSA-N -1 0 316.338 2.225 50 0 DEAARM C[C@@H](C(=O)N1CCCC[C@H]1c1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000329163227 404251339 /nfs/dbraw/zinc/25/13/39/404251339.db2.gz GJKORNYNOHZGHL-YPMHNXCESA-N -1 0 300.362 2.368 50 0 DEAARM Cc1cccc(N2CC[C@@H](CNC(=O)CCCC(=O)[O-])C2)c1 ZINC000426465195 405361593 /nfs/dbraw/zinc/36/15/93/405361593.db2.gz MQVPRUGBUZURRM-AWEZNQCLSA-N -1 0 304.390 2.192 50 0 DEAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)[C@@H](C)c2ccncn2)c1 ZINC000426470949 405362530 /nfs/dbraw/zinc/36/25/30/405362530.db2.gz VOWHFUCTTGXVSL-JTQLQIEISA-N -1 0 315.329 2.017 50 0 DEAARM C[C@@H](C(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000639429726 406085324 /nfs/dbraw/zinc/08/53/24/406085324.db2.gz KIPUOYOEBNIGTE-PWSUYJOCSA-N -1 0 303.362 2.370 50 0 DEAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@H]2[C@@H]3CCCC[C@@H]32)s1 ZINC000245316862 225218402 /nfs/dbraw/zinc/21/84/02/225218402.db2.gz KYCSORFBINODET-URLYPYJESA-N -1 0 314.432 2.001 50 0 DEAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2nc(C)cs2)c1 ZINC000062639934 418485641 /nfs/dbraw/zinc/48/56/41/418485641.db2.gz LUAORDGIYXYALO-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DEAARM C[C@@H](C(=O)[O-])[S@@](=O)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000408520173 227239980 /nfs/dbraw/zinc/23/99/80/227239980.db2.gz PDABSEXZJWAAAG-YTEVENLXSA-N -1 0 323.414 2.035 50 0 DEAARM Cc1ccc(-c2n[nH]c(=O)[n-]2)cc1NC(=O)C(F)(F)C(F)F ZINC000408521910 227240150 /nfs/dbraw/zinc/24/01/50/227240150.db2.gz AHKUUSHXHGSCFY-UHFFFAOYSA-N -1 0 318.230 2.325 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000299743877 229381831 /nfs/dbraw/zinc/38/18/31/229381831.db2.gz PTDZKPVAHIKBAG-SNVBAGLBSA-N -1 0 319.748 2.277 50 0 DEAARM O=C([O-])[C@H]1CC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071405194 262542760 /nfs/dbraw/zinc/54/27/60/262542760.db2.gz ICCVCQBJZHBQOZ-YUMQZZPRSA-N -1 0 313.151 2.284 50 0 DEAARM COC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000048383549 424833019 /nfs/dbraw/zinc/83/30/19/424833019.db2.gz FDXXLDBOZDLWIV-STQMWFEESA-N -1 0 318.329 2.470 50 0 DEAARM CC(C)Cc1ccc(CN2CCN(CC(=O)[O-])C(=O)[C@H]2C)s1 ZINC000244659468 424886176 /nfs/dbraw/zinc/88/61/76/424886176.db2.gz HDFNBICIVHQKJA-GFCCVEGCSA-N -1 0 324.446 2.064 50 0 DEAARM COc1ccc(-c2nnc(N3CCC[C@H]3C(=O)[O-])s2)cc1 ZINC000263083285 295049090 /nfs/dbraw/zinc/04/90/90/295049090.db2.gz BMFWPZQLIJAWPY-NSHDSACASA-N -1 0 305.359 2.267 50 0 DEAARM CCCc1nc(C)c(CNC(=O)Cc2c(C)[nH][nH]c2=O)s1 ZINC000534675358 334326859 /nfs/dbraw/zinc/32/68/59/334326859.db2.gz HAGAOQGCWNCUTE-UHFFFAOYSA-N -1 0 308.407 2.000 50 0 DEAARM COc1cc(F)ccc1[N-]S(=O)(=O)C[C@H](OC)C1CC1 ZINC000580429930 337675094 /nfs/dbraw/zinc/67/50/94/337675094.db2.gz LEIPPMFRXRSYTN-ZDUSSCGKSA-N -1 0 303.355 2.001 50 0 DEAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000299743575 533745590 /nfs/dbraw/zinc/74/55/90/533745590.db2.gz LKUZQVFEKPANMC-VBQJREDUSA-N -1 0 303.358 2.122 50 0 DEAARM Cc1ccccc1OC[C@H]1CCCN(C(=O)NCCC(=O)[O-])C1 ZINC000426519205 534830267 /nfs/dbraw/zinc/83/02/67/534830267.db2.gz GRHROCVOUMKWBJ-AWEZNQCLSA-N -1 0 320.389 2.270 50 0 DEAARM CCC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H](C)C(=O)[O-])cc1 ZINC000263539970 535359141 /nfs/dbraw/zinc/35/91/41/535359141.db2.gz CAHCTMYPGWREDW-SNVBAGLBSA-N -1 0 306.362 2.264 50 0 DEAARM CC[C@](CNC(=O)[C@H]1CCO[C@@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000262976591 535868885 /nfs/dbraw/zinc/86/88/85/535868885.db2.gz KLBAOCMSLIXCJA-SUNYJGFJSA-N -1 0 319.401 2.350 50 0 DEAARM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000169967224 563901925 /nfs/dbraw/zinc/90/19/25/563901925.db2.gz UEGHYVKMVFFPPY-SWPVVBRQSA-N -1 0 301.264 2.398 50 0 DEAARM O=C([O-])[C@H]1CC[C@@H](NC(=O)c2ccc(NC(=O)C3CC3)cc2)C1 ZINC000194451465 685067489 /nfs/dbraw/zinc/06/74/89/685067489.db2.gz CAMSCNIXCQWOGU-GXTWGEPZSA-N -1 0 316.357 2.018 50 0 DEAARM COC(=O)c1cc(CN2CC[C@H](C(=O)[O-])c3ccccc32)on1 ZINC000864096020 686619320 /nfs/dbraw/zinc/61/93/20/686619320.db2.gz UQIHYLSKEQXHTR-LBPRGKRZSA-N -1 0 316.313 2.040 50 0 DEAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)Cc1ccc(C)c(F)c1 ZINC000065381093 784596109 /nfs/dbraw/zinc/59/61/09/784596109.db2.gz JPXSPURZNLFSKI-UHFFFAOYSA-N -1 0 319.336 2.213 50 0 DEAARM COC(=O)c1c(F)cccc1[N-]S(=O)(=O)[C@@H]1CC=CCC1 ZINC000585118850 789706009 /nfs/dbraw/zinc/70/60/09/789706009.db2.gz FGJWADCCMVNWRY-SNVBAGLBSA-N -1 0 313.350 2.463 50 0 DEAARM Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)CCCC(=O)[O-] ZINC000952981784 792859035 /nfs/dbraw/zinc/85/90/35/792859035.db2.gz YIOQKCSMNVWTFG-UHFFFAOYSA-N -1 0 318.373 2.424 50 0 DEAARM CCC(=O)NC(=S)Nc1cc(/C=C\C(=O)[O-])ccc1OC ZINC000951723416 1081573781 /nfs/dbraw/zinc/57/37/81/1081573781.db2.gz AOWYKAYWCCCOPQ-ALCCZGGFSA-N -1 0 308.359 2.016 50 0 DEAARM Cc1ccc2nc(C)c(C)c(C(=O)N[C@H](C)c3nnn[n-]3)c2c1 ZINC000095510087 185376022 /nfs/dbraw/zinc/37/60/22/185376022.db2.gz SIVFFKLZWOZRHI-LLVKDONJSA-N -1 0 310.361 2.164 50 0 DEAARM O=C([O-])COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 ZINC000096634891 185384795 /nfs/dbraw/zinc/38/47/95/185384795.db2.gz ATUWKMVFHMVZTJ-XNTDXEJSSA-N -1 0 323.304 2.495 50 0 DEAARM Cc1c(Br)cccc1C(=O)NC[C@@H](C)C(=O)[O-] ZINC000088440307 185250677 /nfs/dbraw/zinc/25/06/77/185250677.db2.gz DVNNSGPQTSBIIH-SSDOTTSWSA-N -1 0 300.152 2.208 50 0 DEAARM CCS[C@H](C(=O)NCc1nc(C(=O)[O-])cs1)C(C)C ZINC000095425459 185361715 /nfs/dbraw/zinc/36/17/15/185361715.db2.gz RJBFELXILGNFIY-JTQLQIEISA-N -1 0 302.421 2.235 50 0 DEAARM COc1ccccc1S(=O)(=O)[N-]c1c(C)[nH]nc1C(F)F ZINC000095457220 185370255 /nfs/dbraw/zinc/37/02/55/185370255.db2.gz BVVXZTAIMOQXDP-UHFFFAOYSA-N -1 0 317.317 2.465 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)Cc1ccccc1F)Cc1ccccc1 ZINC000097018640 185398062 /nfs/dbraw/zinc/39/80/62/185398062.db2.gz ITFTYGFLFLMEES-OAHLLOKOSA-N -1 0 315.344 2.428 50 0 DEAARM CC(C)n1cnnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095469614 185372326 /nfs/dbraw/zinc/37/23/26/185372326.db2.gz SGUYIEOXQBTJLE-UHFFFAOYSA-N -1 0 320.374 2.288 50 0 DEAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cnn(C)c2)n1 ZINC000080469183 192160041 /nfs/dbraw/zinc/16/00/41/192160041.db2.gz SMTWACNHKYQTQQ-UHFFFAOYSA-N -1 0 315.308 2.011 50 0 DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2c(C)noc2C)cc1 ZINC000084025619 192396714 /nfs/dbraw/zinc/39/67/14/192396714.db2.gz GQGOVLCUSCBKPZ-UHFFFAOYSA-N -1 0 309.347 2.051 50 0 DEAARM C[C@@H](C(=O)[O-])N1C(=O)COc2ccc(-c3cscn3)cc21 ZINC000031869825 295802401 /nfs/dbraw/zinc/80/24/01/295802401.db2.gz REIMVXJUMAWMGN-QMMMGPOBSA-N -1 0 304.327 2.009 50 0 DEAARM CCC[C@H]1CN(C(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000263470813 539789452 /nfs/dbraw/zinc/78/94/52/539789452.db2.gz LIWXRURFVAUXTG-AWEZNQCLSA-N -1 0 306.362 2.095 50 0 DEAARM C[C@@]1(C(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)CC1(F)F ZINC000263282142 539789547 /nfs/dbraw/zinc/78/95/47/539789547.db2.gz XLDMGWQVQVLCHA-HUBLWGQQSA-N -1 0 309.312 2.359 50 0 DEAARM O=C([O-])C[C@H]1CCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000262866099 186315974 /nfs/dbraw/zinc/31/59/74/186315974.db2.gz FPPUJWNITWCMRN-LSDHHAIUSA-N -1 0 303.358 2.270 50 0 DEAARM C[C@H](C(=O)[O-])n1cc(I)c(C2CC2)n1 ZINC000072339391 191126097 /nfs/dbraw/zinc/12/60/97/191126097.db2.gz CEFCWOSFDITBHG-RXMQYKEDSA-N -1 0 306.103 2.011 50 0 DEAARM CCSc1nnc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1 ZINC000000205012 180724549 /nfs/dbraw/zinc/72/45/49/180724549.db2.gz BNSAWHKPOCOZKJ-YUMQZZPRSA-N -1 0 315.420 2.480 50 0 DEAARM CCc1ccc(/C=C\S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000221685607 288529345 /nfs/dbraw/zinc/52/93/45/288529345.db2.gz QBIMHUHCQNICEM-RBJHHQRMSA-N -1 0 309.387 2.099 50 0 DEAARM O=C([O-])CCCCCCC[C@@H](O)[C@H](O)CCCCCCO ZINC000003881331 181051719 /nfs/dbraw/zinc/05/17/19/181051719.db2.gz MEHUJCGAYMDLEL-HUUCEWRRSA-N -1 0 304.427 2.466 50 0 in-vitro DEAARM CCOc1ccc(C(=O)Nc2cnn(CCCC(=O)[O-])c2)cc1 ZINC000004770227 181149847 /nfs/dbraw/zinc/14/98/47/181149847.db2.gz LKDFHFXJYKLHNT-UHFFFAOYSA-N -1 0 317.345 2.399 50 0 DEAARM O=C([O-])CSc1nnc(COc2ccc(Cl)cc2)o1 ZINC000004957067 181178957 /nfs/dbraw/zinc/17/89/57/181178957.db2.gz QZRKQNTWCINQNO-UHFFFAOYSA-N -1 0 300.723 2.479 50 0 DEAARM O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000005059126 181198633 /nfs/dbraw/zinc/19/86/33/181198633.db2.gz OGMORJZWMGMBFU-RYUDHWBXSA-N -1 0 303.314 2.063 50 0 DEAARM CS(=O)(=O)C(C(=O)c1ccccc1)=C([O-])c1ccccc1 ZINC000136674490 355867876 /nfs/dbraw/zinc/86/78/76/355867876.db2.gz WFXAIECCBKPUAL-UHFFFAOYSA-N -1 0 302.351 2.165 50 0 DEAARM CC[C@H](C)n1ncc(C(=O)NCc2n[n-]c(=S)o2)c1C1CC1 ZINC000170606034 355989021 /nfs/dbraw/zinc/98/90/21/355989021.db2.gz KRRTYZNCPFCAHK-QMMMGPOBSA-N -1 0 321.406 2.333 50 0 DEAARM O=C([N-]S(=O)(=O)c1ccccc1Cl)Nc1ccccn1 ZINC000005395013 181238528 /nfs/dbraw/zinc/23/85/28/181238528.db2.gz XWYMQMMXILTFFS-UHFFFAOYSA-N -1 0 311.750 2.245 50 0 DEAARM Cc1nc2cc(C(=O)NCCCCCC(=O)[O-])ccc2n1C ZINC000195541912 356256087 /nfs/dbraw/zinc/25/60/87/356256087.db2.gz GSVMIEXINNKLCZ-UHFFFAOYSA-N -1 0 303.362 2.257 50 0 DEAARM CC(C)[S@](=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000236703468 356291180 /nfs/dbraw/zinc/29/11/80/356291180.db2.gz LSGQQQQKDKKOCB-AOMKIAJQSA-N -1 0 323.414 2.139 50 0 DEAARM O=C([O-])C[C@H](NC(=O)[C@H]1CCOC1)c1ccc(Cl)c(F)c1 ZINC000237963863 356302552 /nfs/dbraw/zinc/30/25/52/356302552.db2.gz LSFNZCLIPUYJPV-CABZTGNLSA-N -1 0 315.728 2.148 50 0 DEAARM COc1ccc(C(C)(C)C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1 ZINC000237158685 202170574 /nfs/dbraw/zinc/17/05/74/202170574.db2.gz OFLLHRYYBDAVJZ-QGZVFWFLSA-N -1 0 305.374 2.296 50 0 DEAARM COc1ccc(CC(=O)N2CC3(CCCC3)[C@H]2C(=O)[O-])cc1F ZINC000585134024 357336348 /nfs/dbraw/zinc/33/63/48/357336348.db2.gz AYFHVPIROQDYHU-OAHLLOKOSA-N -1 0 321.348 2.233 50 0 DEAARM CC(C)(C)n1nnc(/C=C/c2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000585136038 357336743 /nfs/dbraw/zinc/33/67/43/357336743.db2.gz NLLHHBAAVIRDLN-VOTSOKGWSA-N -1 0 313.317 2.438 50 0 DEAARM C/C=C(\C)C(=O)[N-]S(=O)(=O)c1ccc(F)c2ncccc12 ZINC000585139661 357338269 /nfs/dbraw/zinc/33/82/69/357338269.db2.gz VRDDBCGRKYLGLD-YCRREMRBSA-N -1 0 308.334 2.145 50 0 DEAARM CC(C)(CCCO)CNS(=O)(=O)c1cccc(Cl)c1[O-] ZINC000585141937 357338776 /nfs/dbraw/zinc/33/87/76/357338776.db2.gz JCGOVVBWIRHXAM-UHFFFAOYSA-N -1 0 321.826 2.123 50 0 DEAARM C[C@H](CC(=O)N1CCO[C@H](CC(=O)[O-])C1)Cc1cccc(F)c1 ZINC000237538964 202276520 /nfs/dbraw/zinc/27/65/20/202276520.db2.gz AMKXUZJQVBWDKF-SWLSCSKDSA-N -1 0 323.364 2.097 50 0 DEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1ccc2[nH]ccc2c1 ZINC000238097072 202440365 /nfs/dbraw/zinc/44/03/65/202440365.db2.gz WUVZXFQQSFPCRN-AWEZNQCLSA-N -1 0 316.357 2.264 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CC23CCOCC3)c2ccccc21 ZINC000669434645 540832538 /nfs/dbraw/zinc/83/25/38/540832538.db2.gz IGYKGBWVKPDXOK-KBPBESRZSA-N -1 0 315.369 2.408 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)Nc2cnn(CC3CC3)c2)c1 ZINC000669500557 540845361 /nfs/dbraw/zinc/84/53/61/540845361.db2.gz RTPUMSBGYHKHHD-UHFFFAOYSA-N -1 0 314.345 2.313 50 0 DEAARM O=C([O-])C(=Cc1ccccc1Cl)SC1=NC(=O)CCN1 ZINC000006192363 181318562 /nfs/dbraw/zinc/31/85/62/181318562.db2.gz XYIJHFBXIXLGML-JXMROGBWSA-N -1 0 310.762 2.375 50 0 DEAARM COc1ccccc1/C(C)=C\C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000606442059 361008584 /nfs/dbraw/zinc/00/85/84/361008584.db2.gz NXQCAVNYBQTJLI-LUJNMSEFSA-N -1 0 303.358 2.422 50 0 DEAARM CC[C@H](C)n1nccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000089942772 192916019 /nfs/dbraw/zinc/91/60/19/192916019.db2.gz MPMGNFZGKOCKRH-VIFPVBQESA-N -1 0 321.362 2.191 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)COCc2ccccc2)C1 ZINC000195090673 201338235 /nfs/dbraw/zinc/33/82/35/201338235.db2.gz TWTOHGBPCNKSKS-CQSZACIVSA-N -1 0 305.374 2.307 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000037025814 304112968 /nfs/dbraw/zinc/11/29/68/304112968.db2.gz DJQKBGSGOIKPQG-JTQLQIEISA-N -1 0 316.126 2.277 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)[O-] ZINC000006603739 181360006 /nfs/dbraw/zinc/36/00/06/181360006.db2.gz DICDFUDSMXXIJT-FZMZJTMJSA-N -1 0 308.378 2.036 50 0 biogenic DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2C)cn1C ZINC000006777925 181386536 /nfs/dbraw/zinc/38/65/36/181386536.db2.gz SBUJXWBUTOMEBT-UHFFFAOYSA-N -1 0 322.386 2.311 50 0 DEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2N(C)C)C1 ZINC000091381692 193048708 /nfs/dbraw/zinc/04/87/08/193048708.db2.gz LHYYBBWTMDQBHK-KRWDZBQOSA-N -1 0 304.390 2.470 50 0 DEAARM Cc1c([C@H](C)NC(=O)c2cc(=O)[nH][n-]2)cnn1-c1ccccc1 ZINC000091593682 193077063 /nfs/dbraw/zinc/07/70/63/193077063.db2.gz RCRNETDTJLPVKY-JTQLQIEISA-N -1 0 311.345 2.100 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1ccccc1 ZINC000091725827 193097896 /nfs/dbraw/zinc/09/78/96/193097896.db2.gz WGKPXJFQCYHAKW-DLBZAZTESA-N -1 0 324.380 2.341 50 0 DEAARM COc1cccc(CC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)c1 ZINC000091770534 193104696 /nfs/dbraw/zinc/10/46/96/193104696.db2.gz IUCPLQQTEKGXLY-LSDHHAIUSA-N -1 0 305.374 2.053 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c2OCO3)[C@H]2CCC[C@H]21 ZINC000630270396 367565455 /nfs/dbraw/zinc/56/54/55/367565455.db2.gz ALUNAHDMJHYDTK-LOWVWBTDSA-N -1 0 317.341 2.131 50 0 DEAARM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1cncc(C(=O)[O-])c1 ZINC000630166108 367510968 /nfs/dbraw/zinc/51/09/68/367510968.db2.gz BNZHJPBMOXKHRI-UONOGXRCSA-N -1 0 320.389 2.446 50 0 DEAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000253427850 202884688 /nfs/dbraw/zinc/88/46/88/202884688.db2.gz BBXYDTPARKIOHM-NEPJUHHUSA-N -1 0 302.355 2.147 50 0 DEAARM O=C([O-])CCCCNC(=O)c1cccc(OC[C@@H]2CCCO2)c1 ZINC000262479155 203305874 /nfs/dbraw/zinc/30/58/74/203305874.db2.gz ZFPQUBWQCAHYDM-HNNXBMFYSA-N -1 0 321.373 2.229 50 0 DEAARM COCc1cccc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)c1 ZINC000262501908 203311142 /nfs/dbraw/zinc/31/11/42/203311142.db2.gz YRMYFZAOSMVNRE-AWEZNQCLSA-N -1 0 303.358 2.160 50 0 DEAARM COc1ccc2cc(C(=O)N[C@@H](C)CC(=O)[O-])c(C)nc2c1 ZINC000262699667 203386477 /nfs/dbraw/zinc/38/64/77/203386477.db2.gz JNIIUCDZCYHZSW-VIFPVBQESA-N -1 0 302.330 2.145 50 0 DEAARM COc1cc(NC(=O)c2cnn3c2CCCC3)ccc1C(=O)[O-] ZINC000263082260 203435521 /nfs/dbraw/zinc/43/55/21/203435521.db2.gz ZEYXWIRSIYBIOO-UHFFFAOYSA-N -1 0 315.329 2.179 50 0 DEAARM O=C([O-])CN(Cc1ccccc1Cl)C(=O)c1cccnc1 ZINC000095991819 193482602 /nfs/dbraw/zinc/48/26/02/193482602.db2.gz PLQILTUBWLUPRF-UHFFFAOYSA-N -1 0 304.733 2.462 50 0 DEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccccc2)c1 ZINC000016693601 182058100 /nfs/dbraw/zinc/05/81/00/182058100.db2.gz PKVKSPCWLRAQSP-UHFFFAOYSA-N -1 0 305.355 2.438 50 0 DEAARM Cc1nc2[n-]c(CNc3ccc(Cl)cc3)nn2c(=O)c1C ZINC000021796263 182290043 /nfs/dbraw/zinc/29/00/43/182290043.db2.gz FBIGUURFQCTNRT-UHFFFAOYSA-N -1 0 303.753 2.300 50 0 DEAARM Cc1ccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)cc1 ZINC000101167589 193809290 /nfs/dbraw/zinc/80/92/90/193809290.db2.gz KPYRKUGYFUPUSX-JKSUJKDBSA-N -1 0 320.352 2.488 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1scnc1Cl ZINC000328595496 304207794 /nfs/dbraw/zinc/20/77/94/304207794.db2.gz WLWQOTCXONKWRS-SNVBAGLBSA-N -1 0 322.773 2.448 50 0 DEAARM C[C@@H](CN(C)S(=O)(=O)c1ccc2ccccc2c1)C(=O)[O-] ZINC000042702393 183298559 /nfs/dbraw/zinc/29/85/59/183298559.db2.gz XNBISLFYARGWKU-NSHDSACASA-N -1 0 307.371 2.181 50 0 DEAARM CSCc1ccc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1 ZINC000043510713 183368718 /nfs/dbraw/zinc/36/87/18/183368718.db2.gz JFCDTVXHIYSFQR-AWEZNQCLSA-N -1 0 311.428 2.240 50 0 DEAARM Cn1c(Cl)c(Cl)cc1C(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000043510037 183368733 /nfs/dbraw/zinc/36/87/33/183368733.db2.gz ZRLVKOQROATHPF-NSHDSACASA-N -1 0 323.201 2.022 50 0 DEAARM O=C([O-])[C@]12CN(c3nccs3)C[C@H]1COc1ccccc1C2 ZINC000095387469 304215941 /nfs/dbraw/zinc/21/59/41/304215941.db2.gz JWXYTHXPRGWBAK-BLLLJJGKSA-N -1 0 316.382 2.285 50 0 DEAARM Cc1oc(CN(C)C(=O)[C@@H]2COc3ccccc32)cc1C(=O)[O-] ZINC000268944455 207110805 /nfs/dbraw/zinc/11/08/05/207110805.db2.gz VNTJHTBXLKAFRH-CQSZACIVSA-N -1 0 315.325 2.421 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2ccnn2C2CCCC2)cn1 ZINC000058304531 184103083 /nfs/dbraw/zinc/10/30/83/184103083.db2.gz HUZRTXKMJPUZNZ-UHFFFAOYSA-N -1 0 309.395 2.015 50 0 DEAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062117842 184206366 /nfs/dbraw/zinc/20/63/66/184206366.db2.gz GKHXDNFCTKEOTQ-GHMZBOCLSA-N -1 0 311.765 2.349 50 0 DEAARM CCc1ccccc1S(=O)(=O)[N-]c1cccn2cnnc12 ZINC000065228776 184315965 /nfs/dbraw/zinc/31/59/65/184315965.db2.gz IHOFRDCFXZABPH-UHFFFAOYSA-N -1 0 302.359 2.093 50 0 DEAARM O=S(=O)([N-]c1cccn2cnnc12)c1ccc2c(c1)CCC2 ZINC000065228779 184315968 /nfs/dbraw/zinc/31/59/68/184315968.db2.gz NRMFFBQDRLTANB-UHFFFAOYSA-N -1 0 314.370 2.019 50 0 DEAARM COCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cccc(OC)c1 ZINC000069487752 184518751 /nfs/dbraw/zinc/51/87/51/184518751.db2.gz GWZHDTHBANRCSB-GOEBONIOSA-N -1 0 321.373 2.096 50 0 DEAARM C[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)[C@@H]1C(=O)[O-] ZINC000318510347 296376524 /nfs/dbraw/zinc/37/65/24/296376524.db2.gz GTCPDEAPMNVOBZ-BYCMXARLSA-N -1 0 303.358 2.012 50 0 DEAARM CN1CCCc2ccc(S(=O)(=O)[N-]c3cccc(F)n3)cc21 ZINC000156278995 197101091 /nfs/dbraw/zinc/10/10/91/197101091.db2.gz PPZSXNOMXDWZQC-UHFFFAOYSA-N -1 0 321.377 2.404 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)COCc2ccccc2Cl)C1 ZINC000237777606 257238045 /nfs/dbraw/zinc/23/80/45/257238045.db2.gz CDXIUBPFZZHXFA-HNNXBMFYSA-N -1 0 311.765 2.180 50 0 DEAARM O=C([O-])C[C@H]1COCCN1Cc1cccc(C(F)(F)F)c1 ZINC000097784922 257253458 /nfs/dbraw/zinc/25/34/58/257253458.db2.gz XHBRERPTLQEAPT-LBPRGKRZSA-N -1 0 303.280 2.381 50 0 DEAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2C[C@H]2C2CC2)C(=O)[O-])c1 ZINC000299743053 257256106 /nfs/dbraw/zinc/25/61/06/257256106.db2.gz JQDQURRFCXORAT-PMPSAXMXSA-N -1 0 301.386 2.401 50 0 DEAARM CCCCc1cc(=O)oc2cc(OCc3nnn[n-]3)ccc12 ZINC000012733599 257268300 /nfs/dbraw/zinc/26/83/00/257268300.db2.gz NXWZCTGTOSNKGY-UHFFFAOYSA-N -1 0 300.318 2.228 50 0 DEAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc(Cl)c2ccccc21 ZINC000128143557 195939935 /nfs/dbraw/zinc/93/99/35/195939935.db2.gz HWPFIUAMXNEJDF-UHFFFAOYSA-N -1 0 308.750 2.412 50 0 DEAARM CCO[C@@H]1C[C@](NC(=O)[C@H]2Cc3ccccc32)(C(=O)[O-])C1(C)C ZINC000262849033 145307941 /nfs/dbraw/zinc/30/79/41/145307941.db2.gz WIDODNVLURNBDI-IYOUNJFTSA-N -1 0 317.385 2.101 50 0 DEAARM Cc1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)cn2ccnc12 ZINC000263143703 145329563 /nfs/dbraw/zinc/32/95/63/145329563.db2.gz ZWNKBVKVVMNRES-UHFFFAOYSA-N -1 0 316.361 2.408 50 0 DEAARM CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@H](C(=O)[O-])C1 ZINC000012359102 286009067 /nfs/dbraw/zinc/00/90/67/286009067.db2.gz XXSYJWAGVUPLGD-NSHDSACASA-N -1 0 317.382 2.240 50 0 DEAARM Cc1oc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)cc1C(=O)[O-] ZINC000372023174 148162452 /nfs/dbraw/zinc/16/24/52/148162452.db2.gz IOBZMOFATUGAFW-CYBMUJFWSA-N -1 0 319.288 2.045 50 0 DEAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 ZINC000003200030 401722549 /nfs/dbraw/zinc/72/25/49/401722549.db2.gz FHOLENLWWLBMLF-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM Cc1ccc(Cl)cc1N1CCN(C(=O)CCC(=O)[O-])CC1 ZINC000004083237 401725578 /nfs/dbraw/zinc/72/55/78/401725578.db2.gz PLWVRWVYXMFPDH-UHFFFAOYSA-N -1 0 310.781 2.162 50 0 DEAARM CC[C@@H](CO)n1c(=O)c2cc(OC)c(OC)cc2[n-]c1=S ZINC000006473403 401731736 /nfs/dbraw/zinc/73/17/36/401731736.db2.gz NXHLWUWLYVEPPG-QMMMGPOBSA-N -1 0 310.375 2.020 50 0 DEAARM COc1ccc(CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000008189863 401749450 /nfs/dbraw/zinc/74/94/50/401749450.db2.gz DPIWHTJFHVKBCX-UHFFFAOYSA-N -1 0 301.298 2.280 50 0 DEAARM O=C([O-])[C@H]1CS[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000000138331 401688342 /nfs/dbraw/zinc/68/83/42/401688342.db2.gz SSVDPXTWTDRXNH-BDAKNGLRSA-N -1 0 306.156 2.376 50 0 DEAARM O=C([O-])c1ccc(F)c(S(=O)(=O)NCc2ccccc2)c1 ZINC000000258427 401692241 /nfs/dbraw/zinc/69/22/41/401692241.db2.gz HPCZHVVNYKEXQR-UHFFFAOYSA-N -1 0 309.318 2.002 50 0 DEAARM COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000256926 401692458 /nfs/dbraw/zinc/69/24/58/401692458.db2.gz DEAVWQSRBJQFEW-WDEREUQCSA-N -1 0 305.330 2.303 50 0 DEAARM COc1ccc(C(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000000294768 401693532 /nfs/dbraw/zinc/69/35/32/401693532.db2.gz PFWLKGNSZVBNTF-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM Nc1nc(Oc2ccccc2F)c(Br)c(=O)[n-]1 ZINC000000300345 401694187 /nfs/dbraw/zinc/69/41/87/401694187.db2.gz PSIMAVDTCDEORA-UHFFFAOYSA-N -1 0 300.087 2.046 50 0 DEAARM COc1cc(C(=O)[O-])cc(I)c1OC ZINC000000407448 401696698 /nfs/dbraw/zinc/69/66/98/401696698.db2.gz YMKITVMTSMYARX-UHFFFAOYSA-N -1 0 308.071 2.007 50 0 DEAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc(OC)c1 ZINC000001389952 401706708 /nfs/dbraw/zinc/70/67/08/401706708.db2.gz GGARAUDIGSZPSJ-ZIAGYGMSSA-N -1 0 305.330 2.309 50 0 DEAARM O=C([O-])CNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl ZINC000002840604 401719187 /nfs/dbraw/zinc/71/91/87/401719187.db2.gz HQOGYBSSQFFXAF-UHFFFAOYSA-N -1 0 318.565 2.010 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N1CCC[C@H](C)C1 ZINC000013419646 401799490 /nfs/dbraw/zinc/79/94/90/401799490.db2.gz XRRGPQKLNLEQIJ-NSHDSACASA-N -1 0 307.346 2.031 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@@H]1CCCC[C@H]1C ZINC000013419797 401799850 /nfs/dbraw/zinc/79/98/50/401799850.db2.gz GMZSDJUITHYOPP-DGCLKSJQSA-N -1 0 321.373 2.467 50 0 DEAARM COc1ccc(C)cc1/C=C/C(=O)N1CCC(C(=O)[O-])CC1 ZINC000013425644 401800051 /nfs/dbraw/zinc/80/00/51/401800051.db2.gz YTXOCJOAGWMTOZ-GQCTYLIASA-N -1 0 303.358 2.340 50 0 DEAARM Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C(=O)[O-])c3)C2=O)cc1 ZINC000011177344 401773538 /nfs/dbraw/zinc/77/35/38/401773538.db2.gz NZUMLFNABGYRAO-HNNXBMFYSA-N -1 0 324.336 2.437 50 0 DEAARM C[C@@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000013074591 401795672 /nfs/dbraw/zinc/79/56/72/401795672.db2.gz VXRHBLFJAUHFPG-SECBINFHSA-N -1 0 311.384 2.486 50 0 DEAARM C[C@H](NS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1cccs1 ZINC000013074593 401795938 /nfs/dbraw/zinc/79/59/38/401795938.db2.gz VXRHBLFJAUHFPG-VIFPVBQESA-N -1 0 311.384 2.486 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)COc2ccccc2F)cc1 ZINC000013092026 401796688 /nfs/dbraw/zinc/79/66/88/401796688.db2.gz GAGUDRZDVBNRFR-UHFFFAOYSA-N -1 0 303.289 2.219 50 0 DEAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc(F)cc2F)c1C ZINC000078612514 401858709 /nfs/dbraw/zinc/85/87/09/401858709.db2.gz RNWJLBXNJLMQLI-UHFFFAOYSA-N -1 0 301.318 2.116 50 0 DEAARM O=C([O-])CCc1nnc2ccc(NCCC3=CCCCC3)nn21 ZINC000032101754 401876669 /nfs/dbraw/zinc/87/66/69/401876669.db2.gz NEPFIWACLQHQGA-UHFFFAOYSA-N -1 0 315.377 2.444 50 0 DEAARM CCCCN(C)c1ccc(NS(=O)(=O)CC)cc1C(=O)[O-] ZINC000033253354 401889463 /nfs/dbraw/zinc/88/94/63/401889463.db2.gz PACOZALXBHIOAP-UHFFFAOYSA-N -1 0 314.407 2.383 50 0 DEAARM O=C([O-])CCc1nnc(C(=O)Nc2ccc(F)c(F)c2)s1 ZINC000034927206 401894640 /nfs/dbraw/zinc/89/46/40/401894640.db2.gz GIVJPUGMAKLECN-UHFFFAOYSA-N -1 0 313.285 2.086 50 0 DEAARM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035105645 401895668 /nfs/dbraw/zinc/89/56/68/401895668.db2.gz WKHDPFOTIHCPEB-XHDPSFHLSA-N -1 0 316.357 2.399 50 0 DEAARM CC(C)[C@@H](NC(=O)Cc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000037407728 401913047 /nfs/dbraw/zinc/91/30/47/401913047.db2.gz DUUIMVUTJZZWGM-GFCCVEGCSA-N -1 0 303.280 2.473 50 0 DEAARM CS(=O)(=O)c1cccc(OCc2ccc(C(=O)[O-])cc2)c1 ZINC000037652453 401916070 /nfs/dbraw/zinc/91/60/70/401916070.db2.gz CBEWKLDQCHYHES-UHFFFAOYSA-N -1 0 306.339 2.367 50 0 DEAARM CCC[C@@H](NC(=O)c1ccc2nc(C)ccc2c1)c1nnn[n-]1 ZINC000119063040 401923286 /nfs/dbraw/zinc/92/32/86/401923286.db2.gz ZCFNVLFSVGMFKL-CQSZACIVSA-N -1 0 310.361 2.328 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)COCc1ccccc1Cl ZINC000136463452 401968522 /nfs/dbraw/zinc/96/85/22/401968522.db2.gz CWKZIYUJSYAQIQ-ZDUSSCGKSA-N -1 0 311.765 2.322 50 0 DEAARM CCSCCn1cc(-c2ccc(OC)c(C(=O)[O-])c2)nn1 ZINC000095378337 402030319 /nfs/dbraw/zinc/03/03/19/402030319.db2.gz AGYDQQFIMFCFFJ-UHFFFAOYSA-N -1 0 307.375 2.405 50 0 DEAARM CCc1noc(CN(C)C(=O)c2cc(F)cc(Cl)c2[O-])n1 ZINC000095426849 402032718 /nfs/dbraw/zinc/03/27/18/402032718.db2.gz RSTRNOHADOFGEX-UHFFFAOYSA-N -1 0 313.716 2.402 50 0 DEAARM CO[N-]C(=O)C1(S(=O)(=O)c2cc(C)ccc2C)CCCC1 ZINC000053836306 402060019 /nfs/dbraw/zinc/06/00/19/402060019.db2.gz FVWQWPXFTKNYIE-UHFFFAOYSA-N -1 0 311.403 2.068 50 0 DEAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cc(F)ccc2O)c1 ZINC000095965636 402037811 /nfs/dbraw/zinc/03/78/11/402037811.db2.gz NOWDRSZILSBEFC-UHFFFAOYSA-N -1 0 313.354 2.185 50 0 DEAARM Cc1nc2cc(C(=O)N[C@@H](C(=O)[O-])c3ccccc3)ccc2n1C ZINC000095969948 402038251 /nfs/dbraw/zinc/03/82/51/402038251.db2.gz KXVAHRUZUYFILH-MRXNPFEDSA-N -1 0 323.352 2.437 50 0 DEAARM O=C([N-]S(=O)(=O)Cc1ccc(F)cc1F)C1CCCC1 ZINC000095980248 402041531 /nfs/dbraw/zinc/04/15/31/402041531.db2.gz BFXPBFRTAPKFHJ-UHFFFAOYSA-N -1 0 303.330 2.101 50 0 DEAARM O=C([O-])[C@H]1CCC[C@H](NC(=O)c2c(Cl)nc3ccccn32)C1 ZINC000095991872 402043611 /nfs/dbraw/zinc/04/36/11/402043611.db2.gz UKZNOGIBWCTPES-UWVGGRQHSA-N -1 0 321.764 2.361 50 0 DEAARM Cc1ccc(-c2noc([N-]CC(=O)NCc3ccco3)n2)cc1 ZINC000095994684 402044410 /nfs/dbraw/zinc/04/44/10/402044410.db2.gz NOOJJECSWYPEQD-UHFFFAOYSA-N -1 0 312.329 2.366 50 0 DEAARM CC(C)CCc1nc(CS(=O)(=O)[C@H](C)C(=O)[O-])cs1 ZINC000096012755 402047689 /nfs/dbraw/zinc/04/76/89/402047689.db2.gz HCCXHJYAEJKZAB-SECBINFHSA-N -1 0 305.421 2.120 50 0 DEAARM Cc1cnn([C@H](C)C2CC2)c1NC(=O)CCc1cc(=O)[n-]o1 ZINC000055254451 402078402 /nfs/dbraw/zinc/07/84/02/402078402.db2.gz WRNXZZYZMVHOSC-SNVBAGLBSA-N -1 0 304.350 2.427 50 0 DEAARM COc1ccc(Cc2nc(C(C)C)nn2CC(=O)[O-])cc1OC ZINC000097334249 402121528 /nfs/dbraw/zinc/12/15/28/402121528.db2.gz YCIVFACLGWPBFK-UHFFFAOYSA-N -1 0 319.361 2.094 50 0 DEAARM CC(C)Cc1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)[nH]n1 ZINC000097045111 402101762 /nfs/dbraw/zinc/10/17/62/402101762.db2.gz KSBPQKVPMCSTMV-GFCCVEGCSA-N -1 0 307.394 2.325 50 0 DEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1 ZINC000101144788 402143962 /nfs/dbraw/zinc/14/39/62/402143962.db2.gz ORUUHMIUZYIJNC-HUUCEWRRSA-N -1 0 322.324 2.193 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3F)c=2c(=O)n1-c1ccccc1 ZINC000101167604 402144296 /nfs/dbraw/zinc/14/42/96/402144296.db2.gz PRAVLKKYGBQKRR-GJZGRUSLSA-N -1 0 324.315 2.319 50 0 DEAARM CCCCNC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000102177721 402164082 /nfs/dbraw/zinc/16/40/82/402164082.db2.gz QONCDEWIOPKUQV-UHFFFAOYSA-N -1 0 305.403 2.235 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000124327430 402174644 /nfs/dbraw/zinc/17/46/44/402174644.db2.gz OFTAWIWQZDAHGI-GHMZBOCLSA-N -1 0 320.345 2.400 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(COCc3ccco3)c2)C1 ZINC000069157758 402214903 /nfs/dbraw/zinc/21/49/03/402214903.db2.gz PMGWRRPFRWKALN-ZDUSSCGKSA-N -1 0 315.325 2.434 50 0 DEAARM O=C(N[C@H](c1ccncc1)c1ccc(F)cc1)c1cc(=O)[n-]o1 ZINC000215810006 402285000 /nfs/dbraw/zinc/28/50/00/402285000.db2.gz RVGPCNAAWBQXMJ-HNNXBMFYSA-N -1 0 313.288 2.021 50 0 DEAARM CCC[C@H](NC(=O)Nc1cc(F)c(OC)c(F)c1)C(=O)[O-] ZINC000225565800 402321013 /nfs/dbraw/zinc/32/10/13/402321013.db2.gz FYRRZXFGRAFJCM-JTQLQIEISA-N -1 0 302.277 2.348 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000236597697 402367252 /nfs/dbraw/zinc/36/72/52/402367252.db2.gz CLIRUELPJNWPOR-HNNXBMFYSA-N -1 0 321.421 2.164 50 0 DEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc2[nH]ccc2c1 ZINC000238109617 402437967 /nfs/dbraw/zinc/43/79/67/402437967.db2.gz WUVZXFQQSFPCRN-CQSZACIVSA-N -1 0 316.357 2.264 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000238197114 402440501 /nfs/dbraw/zinc/44/05/01/402440501.db2.gz HNCXWZYBXOJCDU-MCIONIFRSA-N -1 0 323.776 2.146 50 0 DEAARM CSCC[C@H](NC(=O)c1ccc2c(ccn2C)c1)C(=O)[O-] ZINC000170625479 402508675 /nfs/dbraw/zinc/50/86/75/402508675.db2.gz PPUWALAZWVFAIK-LBPRGKRZSA-N -1 0 306.387 2.114 50 0 biogenic DEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(-c3ccoc3)c2)CCO1 ZINC000191008408 402636160 /nfs/dbraw/zinc/63/61/60/402636160.db2.gz TTWMAZRKBGLSQY-OAHLLOKOSA-N -1 0 315.325 2.262 50 0 DEAARM C[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000191010190 402636164 /nfs/dbraw/zinc/63/61/64/402636164.db2.gz BESJNDBSFCOTDC-BDAKNGLRSA-N -1 0 317.794 2.207 50 0 DEAARM CCOc1cccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)c1 ZINC000252497710 402656345 /nfs/dbraw/zinc/65/63/45/402656345.db2.gz QNTSHOKOIUWIQF-UHFFFAOYSA-N -1 0 307.375 2.293 50 0 DEAARM CN(CCO)c1ccc(C=[NH+][N-]c2ccc(C(=O)[O-])cc2)cc1 ZINC000254515713 402671146 /nfs/dbraw/zinc/67/11/46/402671146.db2.gz LKNALMVHEFXNOR-UHFFFAOYSA-N -1 0 313.357 2.259 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000262703264 402730188 /nfs/dbraw/zinc/73/01/88/402730188.db2.gz LKIMZZMNTDVZOK-ZDUSSCGKSA-N -1 0 319.748 2.215 50 0 DEAARM CCCn1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(C)c2C)cn1 ZINC000263156709 402745963 /nfs/dbraw/zinc/74/59/63/402745963.db2.gz VEIDTGIOOYQJPC-HNNXBMFYSA-N -1 0 315.373 2.466 50 0 DEAARM COc1cc(C(=O)N2CCC3(C[C@H]3C(=O)[O-])CC2)ccc1F ZINC000263235580 402748601 /nfs/dbraw/zinc/74/86/01/402748601.db2.gz DJVPAJDLWANPMI-NSHDSACASA-N -1 0 307.321 2.161 50 0 DEAARM COc1ccc(-c2nnc(N(C)C[C@H](C)C(=O)[O-])s2)cc1 ZINC000263241912 402749686 /nfs/dbraw/zinc/74/96/86/402749686.db2.gz RTFFNTQGQHTNKE-VIFPVBQESA-N -1 0 307.375 2.371 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@@H]2C2CCOCC2)s1 ZINC000263567359 402782030 /nfs/dbraw/zinc/78/20/30/402782030.db2.gz GNLXWZNRIUBMAG-LLVKDONJSA-N -1 0 309.387 2.478 50 0 DEAARM O=C([O-])COCCNC(=O)c1ccccc1CCC(F)(F)F ZINC000263533284 402778244 /nfs/dbraw/zinc/77/82/44/402778244.db2.gz NKJDXYIIKFJKED-UHFFFAOYSA-N -1 0 319.279 2.013 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)c1cn(-c2ccccc2)nc1C)C(=O)[O-] ZINC000195541714 402850880 /nfs/dbraw/zinc/85/08/80/402850880.db2.gz IUSCKQDAGQHYPM-NHYWBVRUSA-N -1 0 315.373 2.410 50 0 DEAARM COc1ccc(CNC(=O)[C@H]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000272347948 402926686 /nfs/dbraw/zinc/92/66/86/402926686.db2.gz CPTWBTSNPSYIHB-QWHCGFSZSA-N -1 0 321.373 2.211 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CCCO[C@@H]2c2ccccc2)C1 ZINC000269184718 403124597 /nfs/dbraw/zinc/12/45/97/403124597.db2.gz MDKOJFJKAZDPCV-QLFBSQMISA-N -1 0 303.358 2.087 50 0 DEAARM Cc1csc(C(=O)N(CC(=O)[O-])C2CCOCC2)c1Cl ZINC000567445006 292313450 /nfs/dbraw/zinc/31/34/50/292313450.db2.gz UVLDHVWFNJVHNC-UHFFFAOYSA-N -1 0 317.794 2.416 50 0 DEAARM COCCN(CC(=O)[O-])C(=O)c1ccc(-c2ccc(C)o2)cc1 ZINC000426428365 405359654 /nfs/dbraw/zinc/35/96/54/405359654.db2.gz YLLNRMMKDKTKKB-UHFFFAOYSA-N -1 0 317.341 2.428 50 0 DEAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCCCOC1CCCC1 ZINC000426546252 405368528 /nfs/dbraw/zinc/36/85/28/405368528.db2.gz TVLVKYGSVDPINB-UHFFFAOYSA-N -1 0 308.378 2.409 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NC2CCN(c3ccccc3)CC2)C1 ZINC000426674366 405374058 /nfs/dbraw/zinc/37/40/58/405374058.db2.gz YIROQZYRKCSXCL-UONOGXRCSA-N -1 0 316.401 2.273 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1csc(-c2ccoc2)n1 ZINC000136533646 196540215 /nfs/dbraw/zinc/54/02/15/196540215.db2.gz MJHNBNVQPINTLZ-LLVKDONJSA-N -1 0 306.343 2.482 50 0 DEAARM Cc1cc(Br)c([O-])c(C(=O)NC2=NCCS2)c1 ZINC000047827105 424828263 /nfs/dbraw/zinc/82/82/63/424828263.db2.gz MNPOKLHMODPFEK-UHFFFAOYSA-N -1 0 315.192 2.296 50 0 DEAARM Cc1nc(-n2[n-]c(C)c(CC(=O)NC(C)C)c2=O)sc1C ZINC000101831481 424847440 /nfs/dbraw/zinc/84/74/40/424847440.db2.gz KTTHZHIORJGJIB-UHFFFAOYSA-N -1 0 308.407 2.027 50 0 DEAARM CCC(CC)(CNC(=O)c1ccc2c(c1)CCOC2)C(=O)[O-] ZINC000659139522 425533703 /nfs/dbraw/zinc/53/37/03/425533703.db2.gz HTNPYFFDDNZFBV-UHFFFAOYSA-N -1 0 305.374 2.380 50 0 DEAARM Cc1nc(CC(=O)N[C@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000663142910 425805375 /nfs/dbraw/zinc/80/53/75/425805375.db2.gz ZRHHFNDXPBSZQG-INIZCTEOSA-N -1 0 318.398 2.419 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000514606283 269324576 /nfs/dbraw/zinc/32/45/76/269324576.db2.gz WQYKLKQTGOPHQG-CQSZACIVSA-N -1 0 303.358 2.020 50 0 DEAARM CC(C)[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1 ZINC000236642890 279771198 /nfs/dbraw/zinc/77/11/98/279771198.db2.gz MXBWJNQIMVITPO-GDBMZVCRSA-N -1 0 305.374 2.128 50 0 DEAARM CC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@H]1c1ccccc1 ZINC000074828128 288277433 /nfs/dbraw/zinc/27/74/33/288277433.db2.gz FCCWPBOUOBHFNP-WCQYABFASA-N -1 0 300.362 2.166 50 0 DEAARM Cc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000268968931 300924960 /nfs/dbraw/zinc/92/49/60/300924960.db2.gz FQYPYGCCUAFEKA-SNVBAGLBSA-N -1 0 323.345 2.274 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c(C)c1 ZINC000003865031 301193015 /nfs/dbraw/zinc/19/30/15/301193015.db2.gz CVPVJQPGFMVOBQ-CYBMUJFWSA-N -1 0 311.403 2.097 50 0 DEAARM Cc1cc(OC(F)F)ccc1NC(=O)CSCC(=O)[O-] ZINC000017031161 301377361 /nfs/dbraw/zinc/37/73/61/301377361.db2.gz LUPVKSAGUDXMLF-UHFFFAOYSA-N -1 0 305.302 2.353 50 0 DEAARM Cc1ccccc1[C@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237681513 302224134 /nfs/dbraw/zinc/22/41/34/302224134.db2.gz QLIVMFTZFGOYNT-HZPDHXFCSA-N -1 0 317.385 2.191 50 0 DEAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1nn(C)c(C)c1Cl ZINC000534577302 334288141 /nfs/dbraw/zinc/28/81/41/334288141.db2.gz MAJZXVQKYXPQSE-SECBINFHSA-N -1 0 301.774 2.145 50 0 DEAARM CN(Cc1noc(C2CCCC2)n1)Cc1cccc(C(=O)[O-])n1 ZINC000534634704 334308836 /nfs/dbraw/zinc/30/88/36/334308836.db2.gz BBEHFMKEDSISEL-UHFFFAOYSA-N -1 0 316.361 2.452 50 0 DEAARM C[C@H](c1ccc(-c2ccc(C(=O)[O-])nn2)cc1)N1CCOCC1 ZINC000534639974 334310828 /nfs/dbraw/zinc/31/08/28/334310828.db2.gz PMNZIKBHUNXEQM-GFCCVEGCSA-N -1 0 313.357 2.235 50 0 DEAARM CCc1ncc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])s1 ZINC000237070975 337383643 /nfs/dbraw/zinc/38/36/43/337383643.db2.gz SUGQOORWWIHQPQ-GFCCVEGCSA-N -1 0 316.382 2.357 50 0 DEAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1cc(C)cc(C)n1 ZINC000095452256 484017664 /nfs/dbraw/zinc/01/76/64/484017664.db2.gz HYEKRTSDXONPFD-UHFFFAOYSA-N -1 0 322.434 2.358 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1 ZINC000018192209 501080167 /nfs/dbraw/zinc/08/01/67/501080167.db2.gz XQKIMWNZIDYWMF-LSDHHAIUSA-N -1 0 306.325 2.180 50 0 DEAARM C[C@H](NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000239128726 533730373 /nfs/dbraw/zinc/73/03/73/533730373.db2.gz KRGANEBWHQKIFL-WCFLWFBJSA-N -1 0 317.341 2.260 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)c1 ZINC000299742431 534548976 /nfs/dbraw/zinc/54/89/76/534548976.db2.gz HXPSBHOVVVJVAH-OAHLLOKOSA-N -1 0 315.300 2.144 50 0 DEAARM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000299750404 563938830 /nfs/dbraw/zinc/93/88/30/563938830.db2.gz NKFIFTIMSYXAJJ-HRCADAONSA-N -1 0 317.385 2.226 50 0 DEAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000257372062 625392031 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Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1ccccc1 ZINC000004206041 181085650 /nfs/dbraw/zinc/08/56/50/181085650.db2.gz CCEGNRQMNOCQTN-UHFFFAOYSA-N -1 0 305.355 2.172 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004302046 181094385 /nfs/dbraw/zinc/09/43/85/181094385.db2.gz HPLZQRRCRSWEHF-RNCFNFMXSA-N -1 0 308.334 2.079 50 0 DEAARM O=C([O-])CNC(=O)COc1c(Cl)cc(Cl)cc1Cl ZINC000004543213 181122365 /nfs/dbraw/zinc/12/23/65/181122365.db2.gz YDYWCJCURSHNDZ-UHFFFAOYSA-N -1 0 312.536 2.226 50 0 DEAARM CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004611437 181129264 /nfs/dbraw/zinc/12/92/64/181129264.db2.gz ZQZLCDQFTKBVQQ-NEPJUHHUSA-N -1 0 317.341 2.469 50 0 DEAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C(N)=O)c1C ZINC000004748677 181147673 /nfs/dbraw/zinc/14/76/73/181147673.db2.gz ZLOPMFSBEIPGSX-ZJUUUORDSA-N -1 0 322.386 2.069 50 0 DEAARM CSCC[C@H](NC(=O)NCc1ccccc1Cl)C(=O)[O-] ZINC000005215680 181217830 /nfs/dbraw/zinc/21/78/30/181217830.db2.gz 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/nfs/dbraw/zinc/27/13/16/181271316.db2.gz GBPORFDMUUFPGB-UHFFFAOYSA-N -1 0 313.766 2.248 50 0 DEAARM CCc1nc(=NC[C@@H]2CCCN(CC(F)(F)F)C2)s[n-]1 ZINC000585091997 540256843 /nfs/dbraw/zinc/25/68/43/540256843.db2.gz ABRZYJNVILQDPG-VIFPVBQESA-N -1 0 308.373 2.209 50 0 DEAARM COc1ccc(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1F ZINC000237174993 202177232 /nfs/dbraw/zinc/17/72/32/202177232.db2.gz GTQZDXQLFGZTSZ-GFCCVEGCSA-N -1 0 323.364 2.480 50 0 DEAARM COc1ccc(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(Cl)c1 ZINC000237175508 202177329 /nfs/dbraw/zinc/17/73/29/202177329.db2.gz QADKTCBEYSRNTK-OAHLLOKOSA-N -1 0 311.765 2.214 50 0 DEAARM CO[C@H](C)c1nc(C)c(C(=O)NC2(C(=O)[O-])CCCC2)s1 ZINC000237187722 202180420 /nfs/dbraw/zinc/18/04/20/202180420.db2.gz ZISFLZPHKVOUFQ-SECBINFHSA-N -1 0 312.391 2.286 50 0 DEAARM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1sc(SC)nc1C ZINC000585136232 357337409 /nfs/dbraw/zinc/33/74/09/357337409.db2.gz XIPNHKBONVCMTL-ZETCQYMHSA-N -1 0 322.477 2.415 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000237645725 202317821 /nfs/dbraw/zinc/31/78/21/202317821.db2.gz WONZAFBBLOGGAW-MRXNPFEDSA-N -1 0 304.321 2.173 50 0 DEAARM Cc1cccc(OCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000237696625 202330104 /nfs/dbraw/zinc/33/01/04/202330104.db2.gz JJTTXXZDWVDAOG-CQSZACIVSA-N -1 0 305.374 2.477 50 0 DEAARM Cc1ccc(-c2cc(C(=O)N3CC[C@](C)(C(=O)[O-])C3)[nH]n2)cc1 ZINC000237703538 202332309 /nfs/dbraw/zinc/33/23/09/202332309.db2.gz VNBOAGREGCJLDE-KRWDZBQOSA-N -1 0 313.357 2.322 50 0 DEAARM Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237752285 202346604 /nfs/dbraw/zinc/34/66/04/202346604.db2.gz FWVXLFQMKXYSGI-LBPRGKRZSA-N -1 0 317.341 2.365 50 0 DEAARM C[C@@H]1C[C@@H](C(=O)N2CC[C@@H](C(=O)[O-])c3ccccc32)CCO1 ZINC000669434130 540832567 /nfs/dbraw/zinc/83/25/67/540832567.db2.gz KDPXDXYENYLSCT-MBNYWOFBSA-N -1 0 303.358 2.407 50 0 DEAARM O=C([O-])[C@H](NC(=O)N1CCC2(CCCO2)CC1)c1ccccc1 ZINC000670447699 540934389 /nfs/dbraw/zinc/93/43/89/540934389.db2.gz IYPGYOBIHZZZOX-CQSZACIVSA-N -1 0 318.373 2.167 50 0 DEAARM COc1ccccc1C/C(C)=C\C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000606441018 361008602 /nfs/dbraw/zinc/00/86/02/361008602.db2.gz HXEDCCLMPVUSDK-GAJOTYCWSA-N -1 0 303.358 2.117 50 0 DEAARM CC[C@@H](Cc1cccc(Br)c1)C(=O)NCC(=O)[O-] ZINC000089943649 192915926 /nfs/dbraw/zinc/91/59/26/192915926.db2.gz HBPMRBYMOKJHOP-JTQLQIEISA-N -1 0 314.179 2.219 50 0 DEAARM O=C([N-]S(=O)(=O)N1CCCCCC1)c1c[nH]c2ccccc12 ZINC000006661466 181367093 /nfs/dbraw/zinc/36/70/93/181367093.db2.gz DJPOBTUQHGNBGX-UHFFFAOYSA-N -1 0 321.402 2.019 50 0 DEAARM O=C([O-])[C@]1(CC2CC2)CCCN(C(=O)Cc2cccnc2)C1 ZINC000091587100 193075932 /nfs/dbraw/zinc/07/59/32/193075932.db2.gz GXHMXGSGJWUGCM-KRWDZBQOSA-N -1 0 302.374 2.118 50 0 DEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)Cc2ccsc2)C1 ZINC000091877171 193121748 /nfs/dbraw/zinc/12/17/48/193121748.db2.gz CGGFDTXXOFDUAX-OAHLLOKOSA-N -1 0 311.403 2.021 50 0 DEAARM CCC1(CC)[C@H](N(C)C(=O)c2cncc(C(=O)[O-])c2)C[C@@H]1OC ZINC000630166107 367510711 /nfs/dbraw/zinc/51/07/11/367510711.db2.gz BNZHJPBMOXKHRI-KGLIPLIRSA-N -1 0 320.389 2.446 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cc(C2CC2)on1 ZINC000261604985 304141603 /nfs/dbraw/zinc/14/16/03/304141603.db2.gz CRWXKPBLJJEMFE-DRZSPHRISA-N -1 0 304.346 2.410 50 0 DEAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H](C)n1cccn1 ZINC000262071505 203190465 /nfs/dbraw/zinc/19/04/65/203190465.db2.gz ITFVYGICYFOYHL-TZMCWYRMSA-N -1 0 301.346 2.085 50 0 DEAARM COc1ccc(CCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1OC ZINC000262205345 203228174 /nfs/dbraw/zinc/22/81/74/203228174.db2.gz SPMDGBHFRXLGAS-ZDUSSCGKSA-N -1 0 321.373 2.102 50 0 DEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000262584106 203340126 /nfs/dbraw/zinc/34/01/26/203340126.db2.gz GGYCACLWAOXURS-RYUDHWBXSA-N -1 0 312.329 2.008 50 0 DEAARM Cc1c(C(=O)N[C@@H](C)CC(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000095970374 193466810 /nfs/dbraw/zinc/46/68/10/193466810.db2.gz LYKJINDXDMZJTI-VIFPVBQESA-N -1 0 321.764 2.427 50 0 DEAARM O=C([O-])[C@@]1(NC(=O)Nc2ccccc2Cl)CCSC1 ZINC000043511162 304164233 /nfs/dbraw/zinc/16/42/33/304164233.db2.gz UMFATWRBEMOTMU-GFCCVEGCSA-N -1 0 300.767 2.422 50 0 DEAARM NC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCCC2)c1 ZINC000013466680 181853060 /nfs/dbraw/zinc/85/30/60/181853060.db2.gz QHBDTQLFQFTBEL-UHFFFAOYSA-N -1 0 304.346 2.149 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccccc1 ZINC000018263292 182100712 /nfs/dbraw/zinc/10/07/12/182100712.db2.gz CWPWJGDMHMQRDQ-UHFFFAOYSA-N -1 0 305.355 2.415 50 0 DEAARM CSc1ccc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc1 ZINC000019962471 182170723 /nfs/dbraw/zinc/17/07/23/182170723.db2.gz XUUJTJGNQWBTEJ-GFCCVEGCSA-N -1 0 302.359 2.292 50 0 DEAARM CSCC[C@H](NC(=O)c1ccc2ccccc2n1)C(=O)[O-] ZINC000021803553 182291219 /nfs/dbraw/zinc/29/12/19/182291219.db2.gz KOZNFOKLLSBCEU-ZDUSSCGKSA-N -1 0 304.371 2.171 50 0 DEAARM COc1cc(-c2noc(CCC(=O)[O-])n2)cc(Cl)c1OC ZINC000022155166 182311116 /nfs/dbraw/zinc/31/11/16/182311116.db2.gz VXNRWUNQNXYINM-UHFFFAOYSA-N -1 0 312.709 2.424 50 0 DEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCC1 ZINC000021955724 182300259 /nfs/dbraw/zinc/30/02/59/182300259.db2.gz WEYRCDDSEVFBJA-OAHLLOKOSA-N -1 0 300.358 2.470 50 0 DEAARM CCC(=O)OC1=C(C)N(Cc2ccccc2)C(=O)[C@H]1CC(=O)[O-] ZINC000022589513 182327124 /nfs/dbraw/zinc/32/71/24/182327124.db2.gz FMYDKPWCKJKQSL-ZDUSSCGKSA-N -1 0 317.341 2.304 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1ccccc1 ZINC000033274035 182700132 /nfs/dbraw/zinc/70/01/32/182700132.db2.gz AVMKASCZLYCTCM-UONOGXRCSA-N -1 0 310.288 2.324 50 0 DEAARM CCCCOc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347846 193811199 /nfs/dbraw/zinc/81/11/99/193811199.db2.gz RISIHKKZWLXCEN-ZDUSSCGKSA-N -1 0 314.345 2.440 50 0 DEAARM CN(c1ccccc1C(=O)[O-])S(=O)(=O)c1ccccc1F ZINC000040162500 183041769 /nfs/dbraw/zinc/04/17/69/183041769.db2.gz MCMZCOWDWRWNBJ-UHFFFAOYSA-N -1 0 309.318 2.349 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(F)c2F)cc1 ZINC000040230302 183047850 /nfs/dbraw/zinc/04/78/50/183047850.db2.gz WBAIAGRUHVNMHH-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM COc1cccc2c1ccn2CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000040312990 183054128 /nfs/dbraw/zinc/05/41/28/183054128.db2.gz BDKKAXJJDHDGDL-ZDUSSCGKSA-N -1 0 318.373 2.265 50 0 biogenic DEAARM Cc1ccnc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000041974703 183226934 /nfs/dbraw/zinc/22/69/34/183226934.db2.gz VCIJFANXXOHPHD-UHFFFAOYSA-N -1 0 305.359 2.014 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000042623628 183292188 /nfs/dbraw/zinc/29/21/88/183292188.db2.gz CJUCLFDRDUFYLR-STQMWFEESA-N -1 0 317.341 2.387 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)Cc1cccc(Br)c1 ZINC000050039964 183768878 /nfs/dbraw/zinc/76/88/78/183768878.db2.gz IJOHMIOVCDTOFL-UHFFFAOYSA-N -1 0 314.179 2.315 50 0 DEAARM CC(C)O[C@H](C)c1nnc(SCC(=O)[O-])n1-c1cccnc1 ZINC000065525766 184359837 /nfs/dbraw/zinc/35/98/37/184359837.db2.gz KNYBJYVVQUPLTG-SNVBAGLBSA-N -1 0 322.390 2.325 50 0 DEAARM O=C([O-])c1ccc(C(=O)NC2(c3ccccc3F)CC2)cn1 ZINC000238006497 304236256 /nfs/dbraw/zinc/23/62/56/304236256.db2.gz QDKFKMPYWWFHDC-UHFFFAOYSA-N -1 0 300.289 2.338 50 0 DEAARM C[C@H](OCC(F)(F)F)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299753570 299555288 /nfs/dbraw/zinc/55/52/88/299555288.db2.gz YRFAAUXYPMSRDD-VLEAKVRGSA-N -1 0 323.311 2.198 50 0 DEAARM C[C@@H]1CCCN(C(=O)[C@H]2OCCc3ccccc32)[C@@H]1C(=O)[O-] ZINC000318510351 296378617 /nfs/dbraw/zinc/37/86/17/296378617.db2.gz GTCPDEAPMNVOBZ-UGFHNGPFSA-N -1 0 303.358 2.012 50 0 DEAARM O=C([O-])c1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 ZINC000016101431 304264011 /nfs/dbraw/zinc/26/40/11/304264011.db2.gz XASBBNVLJVZDRF-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM COc1ccc(CNC(=O)CC[C@H]2CC[C@H](C)O2)cc1C(=O)[O-] ZINC000299752712 533578337 /nfs/dbraw/zinc/57/83/37/533578337.db2.gz VDELBBNJLDXOHY-WCQYABFASA-N -1 0 321.373 2.357 50 0 DEAARM Cc1ccc(-c2cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])[nH]n2)o1 ZINC000178019190 132531640 /nfs/dbraw/zinc/53/16/40/132531640.db2.gz JWCDOWYVDQCEBS-LBPRGKRZSA-N -1 0 305.334 2.207 50 0 DEAARM CCOc1nnc(N2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000032918511 134683859 /nfs/dbraw/zinc/68/38/59/134683859.db2.gz CLUQBQWBPSGURX-UHFFFAOYSA-N -1 0 301.346 2.330 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cnn2ccccc12 ZINC000261931085 145243408 /nfs/dbraw/zinc/24/34/08/145243408.db2.gz STJWGGMKNWNBCE-LNSITVRQSA-N -1 0 313.357 2.192 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000262954727 145313455 /nfs/dbraw/zinc/31/34/55/145313455.db2.gz QYVMJSOHNJJPFQ-ARFHVFGLSA-N -1 0 317.385 2.272 50 0 DEAARM Cc1sc2c(cccc2C)c1S(=O)(=O)N(C)CC(=O)[O-] ZINC000263105105 145326241 /nfs/dbraw/zinc/32/62/41/145326241.db2.gz KLGBWDOCCPEGPM-UHFFFAOYSA-N -1 0 313.400 2.223 50 0 DEAARM Cc1ccc(S(=O)(=O)[C@H]2C[C@@H](C)SC(=S)[N-]2)cc1 ZINC000001409968 292186695 /nfs/dbraw/zinc/18/66/95/292186695.db2.gz WUBBEHMCGUXYRH-KOLCDFICSA-N -1 0 301.458 2.495 50 0 DEAARM Cc1cc(C(=O)Nc2ccc(NC(=O)C(=O)[O-])cc2)c(C)o1 ZINC000002992716 401720748 /nfs/dbraw/zinc/72/07/48/401720748.db2.gz FBVNWKHPQRAUMU-UHFFFAOYSA-N -1 0 302.286 2.172 50 0 DEAARM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@H]2C(=O)[O-])CC1 ZINC000003135710 401721965 /nfs/dbraw/zinc/72/19/65/401721965.db2.gz VCKBZBBAHJLSJZ-CHWSQXEVSA-N -1 0 322.792 2.018 50 0 DEAARM COc1cc([N-]S(=O)(=O)c2c(C)noc2C)cc(OC)c1 ZINC000007056351 401736575 /nfs/dbraw/zinc/73/65/75/401736575.db2.gz QIFWXTKHOXZQRN-UHFFFAOYSA-N -1 0 312.347 2.109 50 0 DEAARM O=C([O-])Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000033685 401687394 /nfs/dbraw/zinc/68/73/94/401687394.db2.gz GRLGDWLQWOEJBS-UHFFFAOYSA-N -1 0 309.318 2.254 50 0 DEAARM COc1ccc(CN2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000000194833 401689991 /nfs/dbraw/zinc/68/99/91/401689991.db2.gz JVIJCICMASYNLD-UHFFFAOYSA-N -1 0 311.293 2.190 50 0 DEAARM Cc1ccc(C)c(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])c1 ZINC000000195889 401690080 /nfs/dbraw/zinc/69/00/80/401690080.db2.gz DQRKPBKMOORANT-OAHLLOKOSA-N -1 0 316.357 2.468 50 0 DEAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000000312986 401694730 /nfs/dbraw/zinc/69/47/30/401694730.db2.gz GVNYVKRDASNULU-CQSZACIVSA-N -1 0 305.355 2.078 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1ccccc1 ZINC000000479676 401699044 /nfs/dbraw/zinc/69/90/44/401699044.db2.gz NZXJPLOVOFINFU-UHFFFAOYSA-N -1 0 318.398 2.031 50 0 DEAARM Cc1ccc(S(=O)(=O)[C@@H]2C[C@H](C)SC(=S)[N-]2)cc1 ZINC000001409971 401707234 /nfs/dbraw/zinc/70/72/34/401707234.db2.gz WUBBEHMCGUXYRH-GXSJLCMTSA-N -1 0 301.458 2.495 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccccc2Br)C1 ZINC000013170216 401797504 /nfs/dbraw/zinc/79/75/04/401797504.db2.gz UGOPLYGVOPMCFS-VIFPVBQESA-N -1 0 312.163 2.386 50 0 DEAARM COc1ccc(-c2noc(CSCC(=O)[O-])n2)cc1OC ZINC000013362522 401799585 /nfs/dbraw/zinc/79/95/85/401799585.db2.gz QPMANBLMBLQOFM-UHFFFAOYSA-N -1 0 310.331 2.072 50 0 DEAARM COc1ccc(-n2c3c(c(=S)[n-]c2=O)CCC3)cc1OC ZINC000010509829 401771052 /nfs/dbraw/zinc/77/10/52/401771052.db2.gz HTDCIGCAJUEHJP-UHFFFAOYSA-N -1 0 304.371 2.401 50 0 DEAARM CO[N-]C(=O)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000010893277 401772150 /nfs/dbraw/zinc/77/21/50/401772150.db2.gz HRDKUOWCAFAJTE-LLVKDONJSA-N -1 0 319.188 2.425 50 0 DEAARM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccc(F)cc1F ZINC000011176943 401773415 /nfs/dbraw/zinc/77/34/15/401773415.db2.gz BJOGYHWUTJTCIP-UHFFFAOYSA-N -1 0 321.308 2.429 50 0 DEAARM O=C([O-])c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)n1 ZINC000011692954 401775412 /nfs/dbraw/zinc/77/54/12/401775412.db2.gz RCQXODBYQRQETA-UHFFFAOYSA-N -1 0 307.269 2.169 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(-n2ccnn2)c1 ZINC000128438060 401776637 /nfs/dbraw/zinc/77/66/37/401776637.db2.gz TUDUGFULZDNUCP-UHFFFAOYSA-N -1 0 302.334 2.097 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)N2CCc3ccccc3C2)cs1 ZINC000012377443 401784542 /nfs/dbraw/zinc/78/45/42/401784542.db2.gz NADTWWWCPKHBGR-UHFFFAOYSA-N -1 0 323.395 2.193 50 0 biogenic,in-vitro DEAARM COc1ccc(CNC(=O)COc2cccc(C(=O)[O-])c2)cc1 ZINC000013080030 401795974 /nfs/dbraw/zinc/79/59/74/401795974.db2.gz BZXVKKYMYYWDJH-UHFFFAOYSA-N -1 0 315.325 2.089 50 0 DEAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)C1 ZINC000013087160 401796058 /nfs/dbraw/zinc/79/60/58/401796058.db2.gz JMDZUAQTRFXCBV-GFCCVEGCSA-N -1 0 311.403 2.124 50 0 DEAARM O=C([O-])c1nnn(-c2ccccc2)c1CSc1ncccn1 ZINC000026421868 401840528 /nfs/dbraw/zinc/84/05/28/401840528.db2.gz XJWBDRMAFUVEFW-UHFFFAOYSA-N -1 0 313.342 2.048 50 0 DEAARM O=C([O-])Cn1cc([C@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(F)cc21 ZINC000036364994 401904981 /nfs/dbraw/zinc/90/49/81/401904981.db2.gz CWWZIHFKLQMWLL-OAHLLOKOSA-N -1 0 320.320 2.087 50 0 DEAARM CC(=O)Nc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000084774056 401910282 /nfs/dbraw/zinc/91/02/82/401910282.db2.gz QGNFSIYBAOSRSP-JOZWUWCOSA-N -1 0 316.357 2.124 50 0 DEAARM O=C([O-])C1CCN(C(=O)COCc2ccccc2Cl)CC1 ZINC000050162164 402025702 /nfs/dbraw/zinc/02/57/02/402025702.db2.gz FBZGYFYSMXYQON-UHFFFAOYSA-N -1 0 311.765 2.180 50 0 DEAARM CCn1ccnc1CN(C)[C@@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000095352525 402026728 /nfs/dbraw/zinc/02/67/28/402026728.db2.gz SFGPBXPGZXAYTG-OAHLLOKOSA-N -1 0 321.352 2.308 50 0 DEAARM CC(C)Oc1cccc([C@@H](C(=O)[O-])N(C)Cc2cc[nH]n2)c1 ZINC000095380797 402030652 /nfs/dbraw/zinc/03/06/52/402030652.db2.gz DSWCDUHYYINYKQ-HNNXBMFYSA-N -1 0 303.362 2.455 50 0 DEAARM Cc1cc(C)n(CCCN(C)[C@H](C(=O)[O-])c2c(C)noc2C)n1 ZINC000095386630 402031406 /nfs/dbraw/zinc/03/14/06/402031406.db2.gz CTCXKIVLLUIUMI-HNNXBMFYSA-N -1 0 320.393 2.253 50 0 DEAARM COc1ccc(C(=O)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000053847834 402060100 /nfs/dbraw/zinc/06/01/00/402060100.db2.gz QTCCLJOQORPCRL-UHFFFAOYSA-N -1 0 300.339 2.419 50 0 DEAARM CC(C)n1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000095969901 402038310 /nfs/dbraw/zinc/03/83/10/402038310.db2.gz KBLMBNVRXTVRHS-OAHLLOKOSA-N -1 0 313.357 2.116 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000095969630 402038571 /nfs/dbraw/zinc/03/85/71/402038571.db2.gz BSJYEPCSVKHRAP-LLVKDONJSA-N -1 0 323.393 2.156 50 0 DEAARM Cc1ocnc1C(=O)N(Cc1ccccc1)C[C@@H](C)C(=O)[O-] ZINC000096494250 402096299 /nfs/dbraw/zinc/09/62/99/402096299.db2.gz MABDZQAXBVZXBG-LLVKDONJSA-N -1 0 302.330 2.346 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2ccc(F)cc2Cl)no1 ZINC000096496331 402097088 /nfs/dbraw/zinc/09/70/88/402097088.db2.gz AVPGIGICTFPXJE-UHFFFAOYSA-N -1 0 305.718 2.225 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000097017664 402100081 /nfs/dbraw/zinc/10/00/81/402100081.db2.gz ATVGIRGKQLBYCX-MIJXAVMKSA-N -1 0 315.373 2.487 50 0 DEAARM Cc1n[nH]c(C)c1[C@@H](Nc1nccc(-c2ccccn2)n1)C(=O)[O-] ZINC000096140592 402062172 /nfs/dbraw/zinc/06/21/72/402062172.db2.gz OVDWYWMKXGSOAL-CQSZACIVSA-N -1 0 324.344 2.116 50 0 DEAARM COc1cc(OC)c(CN(C)Cc2c[nH]nc2C)c(C(=O)[O-])c1 ZINC000097635167 402128624 /nfs/dbraw/zinc/12/86/24/402128624.db2.gz AJVBIGZKTOQCSD-UHFFFAOYSA-N -1 0 319.361 2.066 50 0 DEAARM Cn1c2ccccc2c([O-])c(C(=O)NC2CCCCC2)c1=O ZINC000100741693 402142585 /nfs/dbraw/zinc/14/25/85/402142585.db2.gz ZZWGVGSEXMCHMC-UHFFFAOYSA-N -1 0 300.358 2.307 50 0 DEAARM CNC(=O)c1ccc(-n2cc(-c3cccc(C(=O)[O-])c3)cn2)o1 ZINC000067973619 402181246 /nfs/dbraw/zinc/18/12/46/402181246.db2.gz UDOGWAPGAIKDHJ-UHFFFAOYSA-N -1 0 311.297 2.190 50 0 DEAARM CCO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000299745933 286192657 /nfs/dbraw/zinc/19/26/57/286192657.db2.gz UDVRYSVOTFTXMF-VHSXEESVSA-N -1 0 312.391 2.238 50 0 DEAARM CCN(CC)c1ccc([N-]S(=O)(=O)c2cccnc2)cn1 ZINC000069581730 402232351 /nfs/dbraw/zinc/23/23/51/402232351.db2.gz XWFQWRZXVNOXDA-UHFFFAOYSA-N -1 0 306.391 2.124 50 0 DEAARM O=C([N-]S(=O)(=O)c1cccs1)c1cc(F)c(F)c(F)c1 ZINC000069775659 402243566 /nfs/dbraw/zinc/24/35/66/402243566.db2.gz LHSLFEVVJDYPMY-UHFFFAOYSA-N -1 0 321.301 2.284 50 0 DEAARM O=C([O-])[C@@H](NC(=O)CCc1cc(Cl)no1)c1ccccc1 ZINC000218189772 402294808 /nfs/dbraw/zinc/29/48/08/402294808.db2.gz KQEMZUXBZHNVRH-ZDUSSCGKSA-N -1 0 308.721 2.203 50 0 DEAARM COc1ncc([N-]S(=O)(=O)c2c(C)cc(C)cc2C)cn1 ZINC000224285699 402314396 /nfs/dbraw/zinc/31/43/96/402314396.db2.gz DSAOYMVFEXRALV-UHFFFAOYSA-N -1 0 307.375 2.211 50 0 DEAARM CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nn1C ZINC000236883316 402386782 /nfs/dbraw/zinc/38/67/82/402386782.db2.gz BUCBIRUFWFQUAF-GFCCVEGCSA-N -1 0 307.394 2.403 50 0 DEAARM C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000237482474 402409411 /nfs/dbraw/zinc/40/94/11/402409411.db2.gz XTDWHYCYJMHNOL-DFAYQTQMSA-N -1 0 313.300 2.102 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000237591596 402414957 /nfs/dbraw/zinc/41/49/57/402414957.db2.gz IRVATPPKKFALJE-QEJZJMRPSA-N -1 0 320.389 2.468 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)C[C@H]2CCCc3ccccc32)CCO1 ZINC000238052335 402434720 /nfs/dbraw/zinc/43/47/20/402434720.db2.gz KGICPJLIRAQWGD-CABCVRRESA-N -1 0 317.385 2.199 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000238080294 402436939 /nfs/dbraw/zinc/43/69/39/402436939.db2.gz JVMFNLUXIYMCDA-CYBMUJFWSA-N -1 0 319.748 2.419 50 0 DEAARM O=C([O-])c1cccc(C(=O)N2CCO[C@@H](c3ccco3)C2)c1 ZINC000238206120 402440690 /nfs/dbraw/zinc/44/06/90/402440690.db2.gz BBRORHVYTXCXEX-CQSZACIVSA-N -1 0 301.298 2.192 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)CCO1 ZINC000238196707 402440833 /nfs/dbraw/zinc/44/08/33/402440833.db2.gz HNCXWZYBXOJCDU-MGPQQGTHSA-N -1 0 323.776 2.146 50 0 DEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000237048122 402392890 /nfs/dbraw/zinc/39/28/90/402392890.db2.gz LDBIDFFRPDWEID-KGLIPLIRSA-N -1 0 318.417 2.145 50 0 DEAARM COc1cc(C(C)N=Nc2ccccn2)ccc1OCC(=O)[O-] ZINC000252475041 402654031 /nfs/dbraw/zinc/65/40/31/402654031.db2.gz RHXZSSJWFAWFLO-UHFFFAOYSA-N -1 0 315.329 2.390 50 0 DEAARM O=C(NCc1ncccc1O)[C@H]1C[C@]12CCOc1ccccc12 ZINC000253427372 402665926 /nfs/dbraw/zinc/66/59/26/402665926.db2.gz ADVXHBJEIAVJFF-ACJLOTCBSA-N -1 0 310.353 2.144 50 0 DEAARM Cc1oc(CN(C)C(=O)c2cc(C(C)C)nn2C)cc1C(=O)[O-] ZINC000262510436 402726887 /nfs/dbraw/zinc/72/68/87/402726887.db2.gz OUXGIJFXRMMARF-UHFFFAOYSA-N -1 0 319.361 2.415 50 0 DEAARM C[C@H]1CN(C(=O)c2cc3c(cccc3F)[nH]2)CC[C@@H]1C(=O)[O-] ZINC000263147771 402745368 /nfs/dbraw/zinc/74/53/68/402745368.db2.gz YXIJZZIJFXUGAV-UWVGGRQHSA-N -1 0 304.321 2.490 50 0 DEAARM CO[C@H]1CCCC[C@@H]1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000263546206 402779902 /nfs/dbraw/zinc/77/99/02/402779902.db2.gz UGMVMTLADOMTFN-GJZGRUSLSA-N -1 0 305.374 2.391 50 0 DEAARM O=C([O-])c1ccc(CC(=O)N2CCC(OCC3CC3)CC2)cc1 ZINC000263581757 402784453 /nfs/dbraw/zinc/78/44/53/402784453.db2.gz XOVWZYMCIJHUJO-UHFFFAOYSA-N -1 0 317.385 2.345 50 0 DEAARM Cc1cc2ccccc2n1CCN(C)C(=O)NCCC(=O)[O-] ZINC000426401593 405357688 /nfs/dbraw/zinc/35/76/88/405357688.db2.gz BAYGHEQHZUZCGD-UHFFFAOYSA-N -1 0 303.362 2.066 50 0 DEAARM CCCCn1nccc1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000129155115 196025164 /nfs/dbraw/zinc/02/51/64/196025164.db2.gz YBSQOHPBPCYWIY-UHFFFAOYSA-N -1 0 311.411 2.261 50 0 DEAARM Cn1[n-]c(C(=O)Nc2ccc(OC3CCCC3)nc2)cc1=O ZINC000408523052 227241564 /nfs/dbraw/zinc/24/15/64/227241564.db2.gz OLCHHQUUNRRHPN-UHFFFAOYSA-N -1 0 302.334 2.094 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2COc3ccccc32)C1 ZINC000299743007 229380246 /nfs/dbraw/zinc/38/02/46/229380246.db2.gz LLYRCMPWPUKTBP-GXTWGEPZSA-N -1 0 303.358 2.266 50 0 DEAARM C[C@H](C(=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 ZINC000299748360 229391124 /nfs/dbraw/zinc/39/11/24/229391124.db2.gz HBWAUTZMHGHSNH-SKDRFNHKSA-N -1 0 314.179 2.296 50 0 DEAARM O=C([O-])[C@H]1Cc2nc(NC(=O)c3ccccc3)sc2C(=O)C1 ZINC000299795714 229452248 /nfs/dbraw/zinc/45/22/48/229452248.db2.gz NJKUFKZYKXWCLL-VIFPVBQESA-N -1 0 316.338 2.225 50 0 DEAARM CCCCC(=O)Nc1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000046053534 424818681 /nfs/dbraw/zinc/81/86/81/424818681.db2.gz IOYCGPDEWOITTO-UHFFFAOYSA-N -1 0 306.362 2.350 50 0 DEAARM COC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000048383551 424833299 /nfs/dbraw/zinc/83/32/99/424833299.db2.gz FDXXLDBOZDLWIV-QWHCGFSZSA-N -1 0 318.329 2.470 50 0 DEAARM Cc1cc(=O)n2[n-]cc(C(=O)Nc3cc(F)ccc3C)c2n1 ZINC000102905446 424848123 /nfs/dbraw/zinc/84/81/23/424848123.db2.gz XDRCXIRUFAKRHP-UHFFFAOYSA-N -1 0 300.293 2.031 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000256529 278200201 /nfs/dbraw/zinc/20/02/01/278200201.db2.gz GVLBWQBONYHZKK-UONOGXRCSA-N -1 0 302.330 2.251 50 0 DEAARM COc1cc(F)ccc1[C@@H](C(=O)[O-])N(C)Cc1c(C)n[nH]c1C ZINC000095369971 294992823 /nfs/dbraw/zinc/99/28/23/294992823.db2.gz PQIRVUQLENZDOP-HNNXBMFYSA-N -1 0 321.352 2.432 50 0 DEAARM COc1cccc(CCC(=O)N2CCC[C@H]2CC(=O)[O-])c1F ZINC000262901847 295293269 /nfs/dbraw/zinc/29/32/69/295293269.db2.gz ITWIIMAYLBVYBC-LBPRGKRZSA-N -1 0 309.337 2.233 50 0 DEAARM Cc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)n(C)n1 ZINC000095399181 301144251 /nfs/dbraw/zinc/14/42/51/301144251.db2.gz NBROUXZCASGVND-GFCCVEGCSA-N -1 0 321.764 2.328 50 0 DEAARM Cc1cccc2[nH]cc(CC(=O)N3CCCC[C@@H]3C(=O)[O-])c21 ZINC000195541591 302051605 /nfs/dbraw/zinc/05/16/05/302051605.db2.gz MGMARJKISZHGTI-CQSZACIVSA-N -1 0 300.358 2.485 50 0 DEAARM Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237746096 302660436 /nfs/dbraw/zinc/66/04/36/302660436.db2.gz FZIJANIVAUYLQG-NSHDSACASA-N -1 0 302.305 2.229 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])n1 ZINC000253388807 302849851 /nfs/dbraw/zinc/84/98/51/302849851.db2.gz NYVSOVPDXKAGFF-UPJWGTAASA-N -1 0 321.377 2.323 50 0 DEAARM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000230259568 304848944 /nfs/dbraw/zinc/84/89/44/304848944.db2.gz DVIMJFDNOIDPDD-GDBMZVCRSA-N -1 0 314.389 2.116 50 0 DEAARM O=C([O-])CN(C(=O)[C@@H]1CCCc2ccccc21)C1CCOCC1 ZINC000299753142 534499274 /nfs/dbraw/zinc/49/92/74/534499274.db2.gz WZNQNQIRIINMQA-MRXNPFEDSA-N -1 0 317.385 2.199 50 0 DEAARM CN(C(=O)c1cnc(C(=O)[O-])cn1)C1C2CC3CC(C2)CC1C3 ZINC000263240079 604789751 /nfs/dbraw/zinc/78/97/51/604789751.db2.gz DURXWQSINWYDFP-UHFFFAOYSA-N -1 0 315.373 2.072 50 0 DEAARM O=S(=O)([N-]c1ccsc1)c1cnn(C2CCOCC2)c1 ZINC000137542797 625569974 /nfs/dbraw/zinc/56/99/74/625569974.db2.gz ZRUDRWZMYLUERO-UHFFFAOYSA-N -1 0 313.404 2.097 50 0 DEAARM CCc1c[nH]nc1[C@H]1CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000067743614 683925114 /nfs/dbraw/zinc/92/51/14/683925114.db2.gz RFHAUYJMHJAGRI-ZDUSSCGKSA-N -1 0 300.362 2.449 50 0 DEAARM O=C([O-])CNC(=O)NCC[C@H](c1ccco1)c1ccccc1 ZINC000828018582 783723676 /nfs/dbraw/zinc/72/36/76/783723676.db2.gz ZDWAPJWTKDSNAC-ZDUSSCGKSA-N -1 0 302.330 2.185 50 0 DEAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(Cc1ccco1)c2=O ZINC000095483246 185373953 /nfs/dbraw/zinc/37/39/53/185373953.db2.gz CYEPVQZSQSVMCC-UHFFFAOYSA-N -1 0 316.338 2.113 50 0 DEAARM CCC(CC)(CNC(=O)Cc1noc2ccccc21)C(=O)[O-] ZINC000097020648 282088837 /nfs/dbraw/zinc/08/88/37/282088837.db2.gz VVHMTRHTWQAWCB-UHFFFAOYSA-N -1 0 304.346 2.378 50 0 DEAARM O=C([O-])[C@H]1CCN1C(=O)COc1ccc(Cl)cc1Cl ZINC000095524587 185377826 /nfs/dbraw/zinc/37/78/26/185377826.db2.gz KMTXXEZURDGKQU-SECBINFHSA-N -1 0 304.129 2.058 50 0 DEAARM CCC[C@@H](C)c1cc([N-]S(=O)(=O)c2cnn(CC)c2)n[nH]1 ZINC000079106578 185158843 /nfs/dbraw/zinc/15/88/43/185158843.db2.gz GFQGPUFYJQPOPB-SNVBAGLBSA-N -1 0 311.411 2.331 50 0 DEAARM CC(C)(C(=O)NCCC(=O)[O-])c1cccc(Br)c1 ZINC000095424248 185361342 /nfs/dbraw/zinc/36/13/42/185361342.db2.gz YDNMWCPPKIFDGD-UHFFFAOYSA-N -1 0 314.179 2.318 50 0 DEAARM C[C@H](OCC1CC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000095424127 185361538 /nfs/dbraw/zinc/36/15/38/185361538.db2.gz MQMSWWQDJRVAKG-HZMBPMFUSA-N -1 0 309.337 2.273 50 0 DEAARM C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CC1)C(=O)[O-] ZINC000095425153 185361756 /nfs/dbraw/zinc/36/17/56/185361756.db2.gz IJPXPWMRMUAVBS-MRVPVSSYSA-N -1 0 301.264 2.326 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccccc1F ZINC000095464038 185371461 /nfs/dbraw/zinc/37/14/61/185371461.db2.gz MXYHWVUCIBVGJK-ZDUSSCGKSA-N -1 0 304.277 2.247 50 0 DEAARM C[C@@H](CN(Cc1ccccc1)C(=O)c1cccn1C)C(=O)[O-] ZINC000097017835 185397811 /nfs/dbraw/zinc/39/78/11/185397811.db2.gz DHUSCEIZVSMNFB-ZDUSSCGKSA-N -1 0 300.358 2.388 50 0 DEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Cn1ncc2ccccc21 ZINC000097018497 185397836 /nfs/dbraw/zinc/39/78/36/185397836.db2.gz RUJSPJLKFWTVLA-UHFFFAOYSA-N -1 0 323.352 2.393 50 0 DEAARM Cn1cc(CC(=O)NC2CCC(C(=O)[O-])CC2)c2ccccc21 ZINC000097018583 185398032 /nfs/dbraw/zinc/39/80/32/185398032.db2.gz IVDHVOVCDTUOIW-UHFFFAOYSA-N -1 0 314.385 2.480 50 0 DEAARM Cc1cc(C(=O)N[C@@H](C)CCC(=O)[O-])nn1-c1ccccc1 ZINC000097039184 185401537 /nfs/dbraw/zinc/40/15/37/185401537.db2.gz ALBIEHUELJHIKQ-NSHDSACASA-N -1 0 301.346 2.164 50 0 DEAARM C[C@H](NC(=O)/C=C/c1csc(Br)c1)C(=O)[O-] ZINC000123994983 185865161 /nfs/dbraw/zinc/86/51/61/185865161.db2.gz FSFWJSWNJOYIOR-SZKDQXIBSA-N -1 0 304.165 2.113 50 0 DEAARM C[C@@H](NC(=O)C1(c2cccc(Br)c2)CC1)C(=O)[O-] ZINC000237503487 186298301 /nfs/dbraw/zinc/29/83/01/186298301.db2.gz SATUITDHHGHCST-MRVPVSSYSA-N -1 0 312.163 2.070 50 0 DEAARM C[C@@H](C(=O)[O-])N1CCO[C@@H](c2ccccc2Br)C1 ZINC000237511096 186299575 /nfs/dbraw/zinc/29/95/75/186299575.db2.gz HBWAUTZMHGHSNH-JOYOIKCWSA-N -1 0 314.179 2.296 50 0 DEAARM Cc1cc(C)n(-c2ccc3cccc([N-]S(C)(=O)=O)c3n2)n1 ZINC000000457036 180796855 /nfs/dbraw/zinc/79/68/55/180796855.db2.gz YVJYHMAMNYGITG-UHFFFAOYSA-N -1 0 316.386 2.409 50 0 DEAARM O=C1CC([O-])=NC(SCc2c(F)c(F)c(F)c(F)c2F)=N1 ZINC000002259073 180917187 /nfs/dbraw/zinc/91/71/87/180917187.db2.gz DKAJVMMNZRXVHN-UHFFFAOYSA-N -1 0 324.230 2.463 50 0 DEAARM O=C([O-])CCSCc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000003407891 181015631 /nfs/dbraw/zinc/01/56/31/181015631.db2.gz MISVRHXYGDBZMH-UHFFFAOYSA-N -1 0 310.400 2.181 50 0 DEAARM CC1CCC(NC(=O)Cc2cn3ccccc3n2)(C(=O)[O-])CC1 ZINC000236804104 202017815 /nfs/dbraw/zinc/01/78/15/202017815.db2.gz GIMLHOZTMIJNLF-UHFFFAOYSA-N -1 0 315.373 2.027 50 0 DEAARM CCc1ccc([C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000004299281 181094649 /nfs/dbraw/zinc/09/46/49/181094649.db2.gz FOZCGLMNNKZIET-QWHCGFSZSA-N -1 0 309.362 2.260 50 0 DEAARM CCSc1ncccc1C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000004284540 181092775 /nfs/dbraw/zinc/09/27/75/181092775.db2.gz ZWPMMGBFRCEMNH-SNVBAGLBSA-N -1 0 314.432 2.130 50 0 DEAARM CCc1nc2c([N-]S(=O)(=O)c3cccc(C)c3)cccn2n1 ZINC000065283986 354681723 /nfs/dbraw/zinc/68/17/23/354681723.db2.gz YKABMQCAKICMID-UHFFFAOYSA-N -1 0 316.386 2.401 50 0 DEAARM CC(=O)Oc1cccc(C(=O)Nc2ccc(CC(=O)[O-])cc2)c1 ZINC000004807295 181153834 /nfs/dbraw/zinc/15/38/34/181153834.db2.gz UJVQFEILEHRVED-UHFFFAOYSA-N -1 0 313.309 2.491 50 0 DEAARM C[C@](NC(=O)[C@H]1C[C@H]1c1c(F)cccc1F)(C(=O)[O-])C1CC1 ZINC000110708983 355745048 /nfs/dbraw/zinc/74/50/48/355745048.db2.gz HWUBBWGUEBGPTL-KCWFYHRYSA-N -1 0 309.312 2.438 50 0 DEAARM O=C([O-])c1ccccc1NC1=NC(=Cc2ccccc2)C(=O)N1 ZINC000005139389 181208566 /nfs/dbraw/zinc/20/85/66/181208566.db2.gz BYEQEQPZPNNGHR-UVTDQMKNSA-N -1 0 307.309 2.324 50 0 DEAARM Cc1cc(C(=O)N2CCC[C@@H](n3cc(C(=O)[O-])cn3)C2)oc1C ZINC000195551234 356256380 /nfs/dbraw/zinc/25/63/80/356256380.db2.gz UGYWMZAJKAZLMR-CYBMUJFWSA-N -1 0 317.345 2.268 50 0 DEAARM Cc1ccc(OCCC(=O)N[C@]2(C(=O)[O-])CCSC2)cc1C ZINC000271898067 356354083 /nfs/dbraw/zinc/35/40/83/356354083.db2.gz VOTKLBUELAEKMR-MRXNPFEDSA-N -1 0 323.414 2.149 50 0 DEAARM COc1ccc(C[C@@H](C)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000237217186 202193080 /nfs/dbraw/zinc/19/30/80/202193080.db2.gz VBELTXXEPQEZJN-OCCSQVGLSA-N -1 0 305.374 2.197 50 0 DEAARM O=C([O-])c1csc([C@@H]2CCCN2C(=O)C[C@@H]2CCCCO2)n1 ZINC000585134088 357336322 /nfs/dbraw/zinc/33/63/22/357336322.db2.gz DMANHBPOCKZDRL-JQWIXIFHSA-N -1 0 324.402 2.464 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000237305095 202224967 /nfs/dbraw/zinc/22/49/67/202224967.db2.gz IGAZLGYRMBHOPX-PZBABLGHSA-N -1 0 307.321 2.171 50 0 DEAARM COc1cccc(/C(C)=C/C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237350974 202240832 /nfs/dbraw/zinc/24/08/32/202240832.db2.gz GYGIRUMDSMSGAT-ZRDIBKRKSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])C[C@H]1CSCCN1C(=O)c1csc(C2CC2)n1 ZINC000141267075 304087087 /nfs/dbraw/zinc/08/70/87/304087087.db2.gz RHQKXLMHDQJDNL-VIFPVBQESA-N -1 0 312.416 2.053 50 0 DEAARM Cc1ccccc1OCCCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000237548280 202279621 /nfs/dbraw/zinc/27/96/21/202279621.db2.gz KXGPTAMPWSOROX-CQSZACIVSA-N -1 0 305.374 2.477 50 0 DEAARM C[C@H](CN(C(=O)[C@@H]1OCCc2ccccc21)C1CC1)C(=O)[O-] ZINC000237611615 202304536 /nfs/dbraw/zinc/30/45/36/202304536.db2.gz BMBMFYJPEWHBDO-IAQYHMDHSA-N -1 0 303.358 2.012 50 0 DEAARM Cc1cccc(OCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)c1C ZINC000237700251 202331416 /nfs/dbraw/zinc/33/14/16/202331416.db2.gz UJVVCJZBRVNOFY-KRWDZBQOSA-N -1 0 305.374 2.396 50 0 DEAARM Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000237700239 202332415 /nfs/dbraw/zinc/33/24/15/202332415.db2.gz WFPVUILIWCGSET-NSHDSACASA-N -1 0 318.348 2.481 50 0 DEAARM Cc1cccc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)c1 ZINC000237823897 202364614 /nfs/dbraw/zinc/36/46/14/202364614.db2.gz WHTVJUOKRAMJKS-AATRIKPKSA-N -1 0 303.358 2.100 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C/c1cccnc1 ZINC000237978701 202411977 /nfs/dbraw/zinc/41/19/77/202411977.db2.gz QPHIJDNDOJJXFY-BSAHJYFCSA-N -1 0 300.358 2.339 50 0 DEAARM O=C([O-])[C@H]1CCCN1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000238102568 202441930 /nfs/dbraw/zinc/44/19/30/202441930.db2.gz CSBMJIKJOVUDOB-LLVKDONJSA-N -1 0 309.272 2.064 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2OCCc3ccccc32)cc1 ZINC000194038373 201167177 /nfs/dbraw/zinc/16/71/77/201167177.db2.gz CYRWPBZHZBXKHA-INIZCTEOSA-N -1 0 311.337 2.315 50 0 DEAARM CCCO[C@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000244899562 202508589 /nfs/dbraw/zinc/50/85/89/202508589.db2.gz ZLYHBNFOXMLLSN-LBPRGKRZSA-N -1 0 308.378 2.361 50 0 DEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000070522873 304118446 /nfs/dbraw/zinc/11/84/46/304118446.db2.gz WGOLYBUDRFBARZ-BDAKNGLRSA-N -1 0 302.252 2.084 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C)cn1C ZINC000006777705 181386725 /nfs/dbraw/zinc/38/67/25/181386725.db2.gz DWLVNOFGGANFLZ-UHFFFAOYSA-N -1 0 322.386 2.229 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)c[nH]1 ZINC000006779744 181386984 /nfs/dbraw/zinc/38/69/84/181386984.db2.gz NQXRURHIHWRBGE-UHFFFAOYSA-N -1 0 308.359 2.219 50 0 DEAARM CSCCc1c(-c2ccccc2)ncn1CC[C@H](O)C(=O)[O-] ZINC000091738193 193100267 /nfs/dbraw/zinc/10/02/67/193100267.db2.gz WXMBXWHGZMFPMM-AWEZNQCLSA-N -1 0 320.414 2.291 50 0 DEAARM Cc1cc(C(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)c(C)o1 ZINC000091873083 193120791 /nfs/dbraw/zinc/12/07/91/193120791.db2.gz PXBNXDQOBUWMHA-LSDHHAIUSA-N -1 0 314.341 2.232 50 0 DEAARM O=C([O-])CCc1cc2n(n1)CCN(Cc1ccccc1F)C2 ZINC000091997167 193138207 /nfs/dbraw/zinc/13/82/07/193138207.db2.gz QSFYBLBCTSNBPC-UHFFFAOYSA-N -1 0 303.337 2.055 50 0 DEAARM O=C([O-])c1nc[nH]c1C(=O)N[C@@H](c1ccco1)c1ccccc1 ZINC000215300901 201457126 /nfs/dbraw/zinc/45/71/26/201457126.db2.gz JPTDSTDXTPAJHQ-GFCCVEGCSA-N -1 0 311.297 2.220 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1n[nH]c2ccccc21 ZINC000237981288 304142737 /nfs/dbraw/zinc/14/27/37/304142737.db2.gz UBARREDLXINGEU-BPNCWPANSA-N -1 0 313.357 2.421 50 0 DEAARM COc1ccccc1C1(C(=O)NCc2ccc(C(=O)[O-])o2)CC1 ZINC000262189548 203223974 /nfs/dbraw/zinc/22/39/74/203223974.db2.gz UFOCJYYDYQADLQ-UHFFFAOYSA-N -1 0 315.325 2.334 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)/C=C\c1ccccn1 ZINC000221908843 304151612 /nfs/dbraw/zinc/15/16/12/304151612.db2.gz GRVXYFOMHYRJJM-QWGSZXSUSA-N -1 0 308.337 2.133 50 0 DEAARM COc1ccc(F)cc1CC(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000263554968 203479916 /nfs/dbraw/zinc/47/99/16/203479916.db2.gz YIKIIQNYOKPROY-WNMQOVRZSA-N -1 0 321.348 2.089 50 0 DEAARM CCOc1c(CN(C)c2ncncc2C(=O)[O-])cccc1OC ZINC000095355228 193428682 /nfs/dbraw/zinc/42/86/82/193428682.db2.gz LLVMZUSBUUUYPD-UHFFFAOYSA-N -1 0 317.345 2.219 50 0 DEAARM O=C([O-])[C@@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc54)C(=O)[C@H]13)O2 ZINC000004044120 304160417 /nfs/dbraw/zinc/16/04/17/304160417.db2.gz QPIMZZREQHWMAF-OAFZBRQQSA-N -1 0 321.332 2.211 50 0 biogenic DEAARM COc1ccc(C(=O)[O-])c(OCC(=O)NC2CCCCC2)c1 ZINC000013084179 181827177 /nfs/dbraw/zinc/82/71/77/181827177.db2.gz XDQVESBJPMVVAX-UHFFFAOYSA-N -1 0 307.346 2.221 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(Br)cc2F)C1 ZINC000019402362 182121333 /nfs/dbraw/zinc/12/13/33/182121333.db2.gz XOCQMDMNCXKMOT-ZCFIWIBFSA-N -1 0 302.099 2.026 50 0 DEAARM Cc1cc(C)c2c(N)c(C(=O)N3CCC[C@H]3C(=O)[O-])sc2n1 ZINC000020436288 182217250 /nfs/dbraw/zinc/21/72/50/182217250.db2.gz ITJZBFQIKZAEDC-VIFPVBQESA-N -1 0 319.386 2.185 50 0 biogenic,in-vitro DEAARM COc1ccc(Cl)cc1NC(=O)c1nn(C)cc1C(=O)[O-] ZINC000020614558 182238589 /nfs/dbraw/zinc/23/85/89/182238589.db2.gz SFUXIFFEEJQILF-UHFFFAOYSA-N -1 0 309.709 2.033 50 0 DEAARM COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000100269803 193797616 /nfs/dbraw/zinc/79/76/16/193797616.db2.gz RSALICGIYNRVAK-RPSMYOMKSA-N -1 0 323.370 2.239 50 0 DEAARM CCn1c(=O)c(C(=O)NCc2ccco2)c([O-])c2ccccc21 ZINC000100512590 193800770 /nfs/dbraw/zinc/80/07/70/193800770.db2.gz BTBDDLGNOSAJPH-UHFFFAOYSA-N -1 0 312.325 2.250 50 0 DEAARM CN(Cc1ccccc1Br)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000037827515 182929285 /nfs/dbraw/zinc/92/92/85/182929285.db2.gz FENGJZIONZTOBP-UWVGGRQHSA-N -1 0 312.163 2.128 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1Cc2ccccc2O1 ZINC000238036954 304206946 /nfs/dbraw/zinc/20/69/46/304206946.db2.gz ROBFSYQVQWMJME-NVXWUHKLSA-N -1 0 323.348 2.028 50 0 DEAARM Cc1c2ccccc2oc1C(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000043510446 183368890 /nfs/dbraw/zinc/36/88/90/183368890.db2.gz TXXSHKPITMMBCZ-OAHLLOKOSA-N -1 0 305.355 2.431 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1 ZINC000043584792 183373973 /nfs/dbraw/zinc/37/39/73/183373973.db2.gz UPYPCIAUEZSGNN-LLVKDONJSA-N -1 0 315.366 2.091 50 0 DEAARM CCCc1sc(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1CC ZINC000043702189 183382088 /nfs/dbraw/zinc/38/20/88/183382088.db2.gz IKRBIJPCNMAIRF-LLVKDONJSA-N -1 0 311.403 2.189 50 0 DEAARM COC(=O)c1ccc(F)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000048383585 183654183 /nfs/dbraw/zinc/65/41/83/183654183.db2.gz XDPGXURONKARCL-QWRGUYRKSA-N -1 0 321.304 2.218 50 0 DEAARM Cc1ccc(-c2nc(CCNC(=O)[C@@H]3C[C@@H]3C(=O)[O-])co2)cc1 ZINC000268920513 207086654 /nfs/dbraw/zinc/08/66/54/207086654.db2.gz SJRMOXNPOOZEJK-KGLIPLIRSA-N -1 0 314.341 2.029 50 0 DEAARM CC(C)CCn1c2ccc(C(=O)[O-])cc2n(CCCCO)c1=O ZINC000055392806 183984161 /nfs/dbraw/zinc/98/41/61/183984161.db2.gz LLIPLCDLKCCVGG-UHFFFAOYSA-N -1 0 320.389 2.320 50 0 DEAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 ZINC000055414595 183986664 /nfs/dbraw/zinc/98/66/64/183986664.db2.gz GGMKQXXVOUCXRW-UONOGXRCSA-N -1 0 313.357 2.327 50 0 DEAARM Cc1nccn1-c1cc(CNc2ncccc2C(=O)[O-])ccn1 ZINC000058392605 184112040 /nfs/dbraw/zinc/11/20/40/184112040.db2.gz NJLPOWZIJJOGDL-UHFFFAOYSA-N -1 0 309.329 2.281 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 ZINC000062119321 184206783 /nfs/dbraw/zinc/20/67/83/184206783.db2.gz BRQVKLLLFXBKLB-QMMMGPOBSA-N -1 0 305.227 2.391 50 0 DEAARM CCOc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)cc1C ZINC000062639841 184246328 /nfs/dbraw/zinc/24/63/28/184246328.db2.gz REZXGKPFOIAWNY-UHFFFAOYSA-N -1 0 324.358 2.221 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(NCc3ccccc3)nc2)C1 ZINC000065385629 184333035 /nfs/dbraw/zinc/33/30/35/184333035.db2.gz HOMVPQCXUWZDOH-ZDUSSCGKSA-N -1 0 311.341 2.131 50 0 DEAARM C[C@H](c1nccs1)N(C)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000065420239 184341180 /nfs/dbraw/zinc/34/11/80/184341180.db2.gz XWIXWJRTYCOFFS-SNVBAGLBSA-N -1 0 319.386 2.473 50 0 DEAARM C[C@H](OCC(F)(F)F)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237560834 299554158 /nfs/dbraw/zinc/55/41/58/299554158.db2.gz DYRIGCPPASWZQI-UWVGGRQHSA-N -1 0 311.300 2.200 50 0 DEAARM O=C([O-])c1cccc(-c2ccc(N3CCSCC3)nn2)c1 ZINC000214948313 304255218 /nfs/dbraw/zinc/25/52/18/304255218.db2.gz BELXEUHFNGMOOO-UHFFFAOYSA-N -1 0 301.371 2.395 50 0 DEAARM O=C([O-])c1cccc(N2C(=O)[C@H]3CC=C(Cl)C[C@@H]3C2=O)c1 ZINC000100631498 304261096 /nfs/dbraw/zinc/26/10/96/304261096.db2.gz DVZAXOPJQHOGRB-RYUDHWBXSA-N -1 0 305.717 2.407 50 0 DEAARM CCN1CC2(CCC1=O)CCN(c1ccc(C(=O)[O-])cn1)CC2 ZINC000095375036 285183236 /nfs/dbraw/zinc/18/32/36/285183236.db2.gz NFRAVWQHAFQTCA-UHFFFAOYSA-N -1 0 317.389 2.009 50 0 DEAARM O=C([O-])C1(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)CC1 ZINC000154864293 197000085 /nfs/dbraw/zinc/00/00/85/197000085.db2.gz ITPUAGHUNKERMP-GFCCVEGCSA-N -1 0 309.749 2.105 50 0 DEAARM Cc1cc(C(=O)NC2(CC(=O)[O-])CCOCC2)c(F)cc1F ZINC000683311987 542427830 /nfs/dbraw/zinc/42/78/30/542427830.db2.gz UATUUZFXTWIDAK-UHFFFAOYSA-N -1 0 313.300 2.027 50 0 DEAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2CC=C(Cl)C[C@@H]2C1=O ZINC000000110657 304269597 /nfs/dbraw/zinc/26/95/97/304269597.db2.gz KWSVYBROBOEDLZ-KOLCDFICSA-N -1 0 305.717 2.407 50 0 DEAARM Cc1nc2ccccc2c(C)c1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237752655 257237680 /nfs/dbraw/zinc/23/76/80/257237680.db2.gz FUTASIPXUMCCEL-CYBMUJFWSA-N -1 0 312.369 2.327 50 0 DEAARM Cc1cccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1C ZINC000237600806 257238288 /nfs/dbraw/zinc/23/82/88/257238288.db2.gz OFBBQXGFGYAENK-UHFFFAOYSA-N -1 0 305.374 2.399 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CC=CC[C@@H]2C1 ZINC000324012284 257242017 /nfs/dbraw/zinc/24/20/17/257242017.db2.gz OFRSCUCPRBGWOV-XHSDSOJGSA-N -1 0 314.385 2.290 50 0 DEAARM Cc1cc([O-])c(C2=Nc3ncnn3[C@@H](c3ccccc3)C2)c(=O)o1 ZINC000036621713 291969764 /nfs/dbraw/zinc/96/97/64/291969764.db2.gz SMEXQYLPVKDRTE-CYBMUJFWSA-N -1 0 322.324 2.359 50 0 DEAARM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000003135711 134453296 /nfs/dbraw/zinc/45/32/96/134453296.db2.gz VCKBZBBAHJLSJZ-OLZOCXBDSA-N -1 0 322.792 2.018 50 0 DEAARM O=C1[N-]S(=O)(=O)c2cccnc2N1c1cccc(Cl)c1 ZINC000096511563 304796621 /nfs/dbraw/zinc/79/66/21/304796621.db2.gz ZNPSWMGNTYMCCH-UHFFFAOYSA-N -1 0 309.734 2.489 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)[C@@H]1CCc2cc(F)ccc21)CC1CC1 ZINC000563448979 292058049 /nfs/dbraw/zinc/05/80/49/292058049.db2.gz DJAYSYFJCUTAKO-IUODEOHRSA-N -1 0 305.349 2.473 50 0 DEAARM O=C([O-])CCN1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC000261776568 145225060 /nfs/dbraw/zinc/22/50/60/145225060.db2.gz AJOPJCSHMGFWKJ-GFCCVEGCSA-N -1 0 301.289 2.136 50 0 DEAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262499936 145288218 /nfs/dbraw/zinc/28/82/18/145288218.db2.gz YDDYUPOOCFVPRL-JTQLQIEISA-N -1 0 315.373 2.155 50 0 DEAARM O=C([O-])C[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000000094306 401688060 /nfs/dbraw/zinc/68/80/60/401688060.db2.gz KBLNBHCQGDKOHI-LLVKDONJSA-N -1 0 311.384 2.242 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)NCCc2cccs2)cc1 ZINC000000110271 401688114 /nfs/dbraw/zinc/68/81/14/401688114.db2.gz IHDXGNATNVDHBT-UHFFFAOYSA-N -1 0 324.427 2.287 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000000106367 401688143 /nfs/dbraw/zinc/68/81/43/401688143.db2.gz ZGVIUMKHTXKKOX-UHFFFAOYSA-N -1 0 317.366 2.132 50 0 in-vitro DEAARM CC(=O)Nc1ccc2c(c1)C(=O)N(c1ccc(C(=O)[O-])cc1)C2=O ZINC000000190272 401689508 /nfs/dbraw/zinc/68/95/08/401689508.db2.gz OZLCORZZMUSKJA-UHFFFAOYSA-N -1 0 324.292 2.144 50 0 DEAARM Cc1cccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])c1C ZINC000000195764 401690300 /nfs/dbraw/zinc/69/03/00/401690300.db2.gz KWXQPEAEKIMVBD-HNNXBMFYSA-N -1 0 316.357 2.468 50 0 DEAARM CCN(CC)S(=O)(=O)c1ccc2oc(C(=O)[O-])c(C)c2c1 ZINC000000217773 401691234 /nfs/dbraw/zinc/69/12/34/401691234.db2.gz OTZHXCCMICWGTF-UHFFFAOYSA-N -1 0 311.359 2.470 50 0 DEAARM O=C([O-])CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000000216936 401691390 /nfs/dbraw/zinc/69/13/90/401691390.db2.gz OQXQBWVHJYAKHO-UHFFFAOYSA-N -1 0 323.345 2.101 50 0 DEAARM CCN(CC)C(=O)COc1ccc2c(CC(=O)[O-])coc2c1 ZINC000007990074 401747072 /nfs/dbraw/zinc/74/70/72/401747072.db2.gz JANPHJVRKBMGLO-UHFFFAOYSA-N -1 0 305.330 2.307 50 0 DEAARM CCOCc1nnc([N-]S(=O)(=O)c2ccc(F)cc2)s1 ZINC000002191245 401711966 /nfs/dbraw/zinc/71/19/66/401711966.db2.gz QZYISIQRBKRFBY-UHFFFAOYSA-N -1 0 317.367 2.015 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(Cl)nc1)C(=O)[O-] ZINC000002540524 401714875 /nfs/dbraw/zinc/71/48/75/401714875.db2.gz ANKIRQAIQPGNLW-VIFPVBQESA-N -1 0 300.742 2.255 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](Cc1cc(F)cc(F)c1)C(=O)[O-] ZINC000002569503 401715412 /nfs/dbraw/zinc/71/54/12/401715412.db2.gz CZBNUDVCRKSYDG-LLVKDONJSA-N -1 0 301.289 2.485 50 0 DEAARM COc1ccccc1CCC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000013404977 401799395 /nfs/dbraw/zinc/79/93/95/401799395.db2.gz VVTHSVVKUHSZIL-UHFFFAOYSA-N -1 0 320.370 2.350 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Nc1cccc(NC(C)=O)c1)C(=O)[O-] ZINC000013557617 401800536 /nfs/dbraw/zinc/80/05/36/401800536.db2.gz NOAQIYIIETUINK-ZANVPECISA-N -1 0 307.350 2.266 50 0 DEAARM COc1ccc2cc([C@@H](C)C(=O)[N-]S(C)(=O)=O)ccc2c1 ZINC000013646053 401802106 /nfs/dbraw/zinc/80/21/06/401802106.db2.gz HFZLMDUPSMGSOP-SNVBAGLBSA-N -1 0 307.371 2.028 50 0 DEAARM CC(C)n1cc2c(n1)n(CCC(=O)[O-])c(=O)cc2C(F)(F)F ZINC000012397937 401784354 /nfs/dbraw/zinc/78/43/54/401784354.db2.gz YAHUOXMBYNGVET-UHFFFAOYSA-N -1 0 317.267 2.272 50 0 DEAARM COc1ccc2[nH]cc(CCn3cc(C(=O)[O-])ccc3=O)c2c1 ZINC000012892213 401793272 /nfs/dbraw/zinc/79/32/72/401793272.db2.gz KRKFZUCEHUOSNU-UHFFFAOYSA-N -1 0 312.325 2.279 50 0 biogenic DEAARM CC(C)[C@H](NC(=O)N1CCc2c3ccccc3[nH]c2C1)C(=O)[O-] ZINC000012902095 401793339 /nfs/dbraw/zinc/79/33/39/401793339.db2.gz FRTSVJZWGTVNAW-HNNXBMFYSA-N -1 0 315.373 2.345 50 0 biogenic DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 ZINC000012985247 401794844 /nfs/dbraw/zinc/79/48/44/401794844.db2.gz FENTVHIQAZOPJO-UHFFFAOYSA-N -1 0 318.373 2.408 50 0 DEAARM NC(=O)c1cccc(CNC(=O)c2ccc([O-])c(Cl)c2)c1 ZINC000025332744 401832963 /nfs/dbraw/zinc/83/29/63/401832963.db2.gz WMPORZUJBOCXSX-UHFFFAOYSA-N -1 0 304.733 2.075 50 0 DEAARM CCOC(=O)C1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000029753706 401858748 /nfs/dbraw/zinc/85/87/48/401858748.db2.gz JEMRGZNDPCCZNF-UHFFFAOYSA-N -1 0 312.753 2.213 50 0 DEAARM C[C@H](C(=O)[O-])N(c1ccccc1)S(=O)(=O)c1ccccc1 ZINC000014628726 401812633 /nfs/dbraw/zinc/81/26/33/401812633.db2.gz ICJJOYMQPVKAGW-GFCCVEGCSA-N -1 0 305.355 2.355 50 0 DEAARM O=C(CCc1cc(=O)[n-]o1)N1CC[C@H](c2ccccc2F)C1 ZINC000077440146 401815459 /nfs/dbraw/zinc/81/54/59/401815459.db2.gz MEHNYKKOQDJUIA-NSHDSACASA-N -1 0 304.321 2.468 50 0 DEAARM CC[C@H](O[C@H]1C=CC(=O)N(c2cc(Cl)ccc2C)N1)C(=O)[O-] ZINC000032918633 401885770 /nfs/dbraw/zinc/88/57/70/401885770.db2.gz IQOQNAPURKJVDX-STQMWFEESA-N -1 0 324.764 2.262 50 0 DEAARM Cn1ncc(C(=O)[O-])c1C(=O)NCC12CC3CC(CC(C3)C1)C2 ZINC000036615512 401906069 /nfs/dbraw/zinc/90/60/69/401906069.db2.gz ZZMVZGATVGPWAH-UHFFFAOYSA-N -1 0 317.389 2.065 50 0 DEAARM C[C@@H](O)[C@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037407214 401913106 /nfs/dbraw/zinc/91/31/06/401913106.db2.gz MEORQPXWSFVHNN-LDWIPMOCSA-N -1 0 313.762 2.119 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2OCC2CC2)C1 ZINC000136130912 401960778 /nfs/dbraw/zinc/96/07/78/401960778.db2.gz WKQSCVXDBJGSBB-CYBMUJFWSA-N -1 0 303.358 2.412 50 0 DEAARM CC(C)n1cccc1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000090939521 401989583 /nfs/dbraw/zinc/98/95/83/401989583.db2.gz JLKJAYWECNPKFW-UHFFFAOYSA-N -1 0 307.375 2.196 50 0 DEAARM Cc1nnc(CN2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)[nH]1 ZINC000095358637 402027614 /nfs/dbraw/zinc/02/76/14/402027614.db2.gz DTHSWMWOFRUZJJ-AWEZNQCLSA-N -1 0 300.362 2.191 50 0 DEAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2ccncc2)CC1 ZINC000095373470 402029826 /nfs/dbraw/zinc/02/98/26/402029826.db2.gz JUUMZNLLXYAWAP-UHFFFAOYSA-N -1 0 310.353 2.340 50 0 DEAARM CC(C)(Nc1ccc([N+](=O)[O-])cc1)C(=O)NCCCCC(=O)[O-] ZINC000095970554 402039269 /nfs/dbraw/zinc/03/92/69/402039269.db2.gz POYYCQKHWGAZDL-UHFFFAOYSA-N -1 0 323.349 2.156 50 0 DEAARM Cc1ccc(C[C@H](CNC(=O)CC[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000095970687 402039387 /nfs/dbraw/zinc/03/93/87/402039387.db2.gz ISVVVNYXJWPBJE-HZPDHXFCSA-N -1 0 319.401 2.314 50 0 DEAARM Cc1ccc(-c2nc(C(=O)Nc3[n-]c(=O)ncc3F)cs2)o1 ZINC000095974954 402039735 /nfs/dbraw/zinc/03/97/35/402039735.db2.gz DJLVEOWGSOUZGH-UHFFFAOYSA-N -1 0 320.305 2.186 50 0 DEAARM CCc1ccc2nc([N-]S(=O)(=O)c3c[nH]cn3)sc2c1 ZINC000095977538 402041144 /nfs/dbraw/zinc/04/11/44/402041144.db2.gz JAEZRHZFZSLACC-UHFFFAOYSA-N -1 0 308.388 2.383 50 0 DEAARM Cc1cc(C(=O)[N-]S(=O)(=O)CC2CCC2)c(C)n1C1CC1 ZINC000095996081 402044972 /nfs/dbraw/zinc/04/49/72/402044972.db2.gz SVFLWOZIHLASBS-UHFFFAOYSA-N -1 0 310.419 2.300 50 0 DEAARM O=S(=O)([N-]c1cccc2[nH]cnc21)c1ccc(Cl)nc1 ZINC000096452979 402090684 /nfs/dbraw/zinc/09/06/84/402090684.db2.gz OZLMOLULBLHTEU-UHFFFAOYSA-N -1 0 308.750 2.412 50 0 DEAARM Cc1ccc([N-]S(=O)(=O)c2cn(CC(C)C)cn2)cc1O ZINC000096455496 402091406 /nfs/dbraw/zinc/09/14/06/402091406.db2.gz KYPDSTDVYZVKFH-UHFFFAOYSA-N -1 0 309.391 2.354 50 0 DEAARM O=C([O-])Cn1ccc(NC(=O)c2ccccc2OCC2CC2)n1 ZINC000122855155 402098417 /nfs/dbraw/zinc/09/84/17/402098417.db2.gz MLUSXTFIGGBWCF-UHFFFAOYSA-N -1 0 315.329 2.009 50 0 DEAARM O=C([O-])c1cccc(-n2nc([C@@H]3CCOC3)nc2-c2cc[nH]c2)c1 ZINC000097729617 402131984 /nfs/dbraw/zinc/13/19/84/402131984.db2.gz IEIAAEYFPJDSNF-CYBMUJFWSA-N -1 0 324.340 2.465 50 0 DEAARM C/C(=C\C(=O)[N-]S(C)(=O)=O)c1ccccc1C(F)(F)F ZINC000098015877 402134248 /nfs/dbraw/zinc/13/42/48/402134248.db2.gz PHUHGEOTYHLZBS-BQYQJAHWSA-N -1 0 307.293 2.185 50 0 DEAARM Cn1c2ccccc2c([O-])c(C(=O)NCCc2ccccc2)c1=O ZINC000100512523 402141646 /nfs/dbraw/zinc/14/16/46/402141646.db2.gz YJNMRRIUBSOZGO-UHFFFAOYSA-N -1 0 322.364 2.217 50 0 DEAARM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1ccccn1 ZINC000101775420 402155536 /nfs/dbraw/zinc/15/55/36/402155536.db2.gz KISIDQKFPIDTHX-OAHLLOKOSA-N -1 0 308.341 2.055 50 0 DEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(F)cn2)c1 ZINC000069675671 402238694 /nfs/dbraw/zinc/23/86/94/402238694.db2.gz XDVLKEDVMMCYSS-UHFFFAOYSA-N -1 0 312.322 2.039 50 0 DEAARM Cc1c(C(=O)[O-])cnn1-c1cc(-c2nc(C3CC3)no2)ccn1 ZINC000070451541 402260437 /nfs/dbraw/zinc/26/04/37/402260437.db2.gz RIQHSAWDKPIDKU-UHFFFAOYSA-N -1 0 311.301 2.201 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2cnc3ccnn3c2)cc1C ZINC000225575780 402321611 /nfs/dbraw/zinc/32/16/11/402321611.db2.gz UFOMINHKKCUZKU-UHFFFAOYSA-N -1 0 302.359 2.147 50 0 DEAARM Cc1nnc(-c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)o1 ZINC000071287350 402272321 /nfs/dbraw/zinc/27/23/21/402272321.db2.gz IVUBPMLADDIWHH-RYUDHWBXSA-N -1 0 315.329 2.340 50 0 DEAARM O=C([O-])c1ccccc1CC(=O)Nc1ccc(-n2cncn2)cc1 ZINC000071287981 402272361 /nfs/dbraw/zinc/27/23/61/402272361.db2.gz AGULNKHHGBCHDM-UHFFFAOYSA-N -1 0 322.324 2.147 50 0 DEAARM C[C@@H](CN(C)C(=O)/C=C\c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000221918212 402304944 /nfs/dbraw/zinc/30/49/44/402304944.db2.gz MJLJUQYLVKWAMC-GFVADAIESA-N -1 0 321.764 2.180 50 0 DEAARM C/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccccc1Cl ZINC000236628764 402369130 /nfs/dbraw/zinc/36/91/30/402369130.db2.gz LAUAWXHOVJYILI-NXIHDVOMSA-N -1 0 323.776 2.445 50 0 DEAARM Cc1nc(CC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])cs1 ZINC000237711189 402418939 /nfs/dbraw/zinc/41/89/39/402418939.db2.gz SSPLWCHCAHRIMQ-AWEZNQCLSA-N -1 0 316.382 2.032 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000237957914 402428632 /nfs/dbraw/zinc/42/86/32/402428632.db2.gz XBBMNGWGPIADBR-JTQLQIEISA-N -1 0 301.264 2.181 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1 ZINC000238047135 402434642 /nfs/dbraw/zinc/43/46/42/402434642.db2.gz BPBLLZLTLDBLGE-JTQLQIEISA-N -1 0 317.794 2.036 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2c[nH]c3ccc(F)cc23)C1 ZINC000238070500 402436416 /nfs/dbraw/zinc/43/64/16/402436416.db2.gz IKCLMJDIRNKASJ-JTQLQIEISA-N -1 0 304.321 2.173 50 0 DEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)/C=C/c1ccc(F)cc1 ZINC000238104841 402437716 /nfs/dbraw/zinc/43/77/16/402437716.db2.gz GKSRJYOWLUYEFW-SBJJXXPASA-N -1 0 321.348 2.321 50 0 DEAARM CSc1nn(CC(=O)c2cccc(Cl)c2Cl)c(=O)[n-]1 ZINC000242147451 402444554 /nfs/dbraw/zinc/44/45/54/402444554.db2.gz WRYBAJPRESDQHA-UHFFFAOYSA-N -1 0 318.185 2.483 50 0 DEAARM Cc1ccc(C(=O)NCCCC(=O)[O-])c(Br)c1 ZINC000163603244 402453582 /nfs/dbraw/zinc/45/35/82/402453582.db2.gz ZFDOOKKGYUBIPN-UHFFFAOYSA-N -1 0 300.152 2.352 50 0 DEAARM Cc1cc(Cl)ccc1C(=O)N[C@H](C(=O)[O-])[C@@H]1CCCOC1 ZINC000263243396 402749463 /nfs/dbraw/zinc/74/94/63/402749463.db2.gz FNACLLRWBYALNL-MFKMUULPSA-N -1 0 311.765 2.258 50 0 DEAARM CO[C@@H](C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1)c1ccccc1 ZINC000192998354 402760119 /nfs/dbraw/zinc/76/01/19/402760119.db2.gz ZBYVLCQFBJYMFU-CYBMUJFWSA-N -1 0 317.345 2.029 50 0 DEAARM O=C([O-])C1CCN(c2nccc(OCc3ccccc3)n2)CC1 ZINC000263517181 402776794 /nfs/dbraw/zinc/77/67/94/402776794.db2.gz PDSBZPFQXSXPPU-UHFFFAOYSA-N -1 0 313.357 2.357 50 0 DEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1C(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000263574781 402783091 /nfs/dbraw/zinc/78/30/91/402783091.db2.gz NYOSVYHEBBQKLJ-SWPVVBRQSA-N -1 0 317.263 2.483 50 0 DEAARM CCn1nc(C)c(C(=O)N[C@H](CC(C)C)C(=O)[O-])c1Cl ZINC000195542633 402850784 /nfs/dbraw/zinc/85/07/84/402850784.db2.gz HFYDAHLRONLGSE-SECBINFHSA-N -1 0 301.774 2.094 50 0 DEAARM COCC(=O)Nc1cc2nc(C3CCC3)n(C)c2c(C(=O)[O-])c1 ZINC000299784735 403574646 /nfs/dbraw/zinc/57/46/46/403574646.db2.gz PGIGMGCGDPUCNG-UHFFFAOYSA-N -1 0 317.345 2.124 50 0 DEAARM COc1ccc(C)cc1/C=C\C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000316634869 404028486 /nfs/dbraw/zinc/02/84/86/404028486.db2.gz DZZQUBFGBRZPJV-WVRJYTFGSA-N -1 0 303.358 2.340 50 0 DEAARM COCCCN(C)C(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000075092770 292333003 /nfs/dbraw/zinc/33/30/03/292333003.db2.gz JLFNVPJWLYBFCF-UHFFFAOYSA-N -1 0 323.780 2.340 50 0 DEAARM Cc1nocc1[N-]S(=O)(=O)c1ccc2c(c1)CCCC(=O)N2 ZINC000585118875 405870713 /nfs/dbraw/zinc/87/07/13/405870713.db2.gz GNGWTVRGIFLVFF-UHFFFAOYSA-N -1 0 321.358 2.059 50 0 DEAARM C[C@H](C(=O)N[C@H](c1nc(=O)o[n-]1)C(C)(C)C)c1ccccc1 ZINC000639429724 406085368 /nfs/dbraw/zinc/08/53/68/406085368.db2.gz KIPUOYOEBNIGTE-CMPLNLGQSA-N -1 0 303.362 2.370 50 0 DEAARM O=C([O-])C[C@H]1CCCN(S(=O)(=O)c2cccc3ccoc32)C1 ZINC000570533571 406407680 /nfs/dbraw/zinc/40/76/80/406407680.db2.gz VILMPUVEOMFPGP-LLVKDONJSA-N -1 0 323.370 2.308 50 0 DEAARM COCCN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccccc1Cl ZINC000237283099 292453176 /nfs/dbraw/zinc/45/31/76/292453176.db2.gz RQWSTWYHRFTNBK-RYUDHWBXSA-N -1 0 311.765 2.003 50 0 DEAARM Cc1ccc(C)c2sc([N-]S(=O)(=O)c3cnn(C)c3)nc21 ZINC000066249852 418487118 /nfs/dbraw/zinc/48/71/18/418487118.db2.gz MFDBELILTSYVOI-UHFFFAOYSA-N -1 0 322.415 2.447 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2Oc2cccnc2)C1 ZINC000299743663 229381285 /nfs/dbraw/zinc/38/12/85/229381285.db2.gz OLHHCVRGBBDUNT-GFCCVEGCSA-N -1 0 312.325 2.421 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccnc(C2CC2)n1 ZINC000299748081 229392014 /nfs/dbraw/zinc/39/20/14/229392014.db2.gz FXTKVFVXGFIRAA-UBHSHLNASA-N -1 0 315.373 2.212 50 0 DEAARM COC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000048382385 424832529 /nfs/dbraw/zinc/83/25/29/424832529.db2.gz XZGZKNQONOOMCZ-STQMWFEESA-N -1 0 318.329 2.470 50 0 DEAARM Cc1[n-]n(CC(C)C)c(=O)c1C(=O)Nc1cccnc1Cl ZINC000101775434 424847533 /nfs/dbraw/zinc/84/75/33/424847533.db2.gz FQXBGBXRKRDERS-LLVKDONJSA-N -1 0 308.769 2.164 50 0 DEAARM Cn1c(=O)c2ccc(C(=O)NCCC(C)(C)C)cc2[n-]c1=S ZINC000103155781 424848576 /nfs/dbraw/zinc/84/85/76/424848576.db2.gz ORVCNKFKZSTANV-UHFFFAOYSA-N -1 0 319.430 2.388 50 0 DEAARM C[C@H](CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21)n1ccnc1 ZINC000653326787 425463134 /nfs/dbraw/zinc/46/31/34/425463134.db2.gz KZSJWWBGDZLINT-UGFHNGPFSA-N -1 0 313.357 2.264 50 0 DEAARM Cc1nc(CC(=O)N[C@@](C)(C(=O)[O-])c2ccccc2)c(C)s1 ZINC000663142911 425805210 /nfs/dbraw/zinc/80/52/10/425805210.db2.gz ZRHHFNDXPBSZQG-MRXNPFEDSA-N -1 0 318.398 2.419 50 0 DEAARM CC(C)(C(=O)[O-])n1cc(Nc2nccc(C(F)(F)F)n2)cn1 ZINC000662894327 425759519 /nfs/dbraw/zinc/75/95/19/425759519.db2.gz AQZMRZQSDBEOPG-UHFFFAOYSA-N -1 0 315.255 2.255 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2)C[C@H]1C(=O)[O-] ZINC000074941235 278400169 /nfs/dbraw/zinc/40/01/69/278400169.db2.gz KPPLFHVNHIHGFM-ZDUSSCGKSA-N -1 0 324.352 2.336 50 0 DEAARM CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)[O-] ZINC000041127920 278762950 /nfs/dbraw/zinc/76/29/50/278762950.db2.gz WQKHDOJQZDOQQC-QGZVFWFLSA-N -1 0 316.357 2.096 50 0 DEAARM CC1=NN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])cc2)CC1 ZINC000095424746 281700065 /nfs/dbraw/zinc/70/00/65/281700065.db2.gz XMCXUVLBQZHSRX-LSDHHAIUSA-N -1 0 315.373 2.256 50 0 DEAARM CC[C@H]1c2cccn2CCN1Cc1cc(=O)n2[n-]c(C)cc2n1 ZINC000072479553 288379095 /nfs/dbraw/zinc/37/90/95/288379095.db2.gz WFRPQSGCPHPUSC-AWEZNQCLSA-N -1 0 311.389 2.099 50 0 DEAARM COCc1ccc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])o1 ZINC000299747414 293302360 /nfs/dbraw/zinc/30/23/60/293302360.db2.gz CXTAKGIGACSKTA-CQSZACIVSA-N -1 0 315.325 2.078 50 0 DEAARM CO[N-]C(=O)[C@H]1CCCCN1C(=O)/C=C/c1ccc(Cl)cc1 ZINC000052998132 293375706 /nfs/dbraw/zinc/37/57/06/293375706.db2.gz GCZGKKBKFKEZCP-DNGMOHDESA-N -1 0 322.792 2.412 50 0 DEAARM COc1ccc2c(c1)CCN2C(=O)[C@H]1CCC[C@H](C(=O)[O-])C1 ZINC000180119412 295259849 /nfs/dbraw/zinc/25/98/49/295259849.db2.gz AZLHZNMSFNCLEA-STQMWFEESA-N -1 0 303.358 2.475 50 0 DEAARM C[C@H](C(=O)[O-])N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000004777326 298215426 /nfs/dbraw/zinc/21/54/26/298215426.db2.gz PAWJVQRKPRWXGU-ZCFIWIBFSA-N -1 0 312.174 2.233 50 0 DEAARM Cc1c2ccccc2sc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000088376159 301021691 /nfs/dbraw/zinc/02/16/91/301021691.db2.gz KZNOGOOUUTVHEF-NSHDSACASA-N -1 0 305.355 2.135 50 0 DEAARM Cc1cc(F)ccc1S(=O)(=O)N1C[C@H](C(=O)[O-])CC[C@H]1C ZINC000263466660 301317125 /nfs/dbraw/zinc/31/71/25/301317125.db2.gz CTUSTAONRIKVFY-GHMZBOCLSA-N -1 0 315.366 2.008 50 0 DEAARM Cc1cccc([C@H](NC(=O)[C@@H]2CCO[C@@H](C)C2)C(=O)[O-])c1C ZINC000263165956 302033344 /nfs/dbraw/zinc/03/33/44/302033344.db2.gz VUVULKXHUZLLIO-LNSITVRQSA-N -1 0 305.374 2.360 50 0 DEAARM COc1cc(CN(C)Cc2cscn2)ccc1OCC(=O)[O-] ZINC000534633027 334308189 /nfs/dbraw/zinc/30/81/89/334308189.db2.gz RLAGXZGKCJJIPC-UHFFFAOYSA-N -1 0 322.386 2.247 50 0 DEAARM COc1ccc(-c2nccc(NCC(=O)[O-])n2)c2ccccc12 ZINC000534675430 334326922 /nfs/dbraw/zinc/32/69/22/334326922.db2.gz PPOOAQJVIQUYBE-UHFFFAOYSA-N -1 0 309.325 2.224 50 0 DEAARM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1nncs1 ZINC000097379355 337382791 /nfs/dbraw/zinc/38/27/91/337382791.db2.gz RRCLHPXCONIWGF-UHFFFAOYSA-N -1 0 323.321 2.499 50 0 DEAARM O=C([O-])CCN(C(=O)c1scnc1C1CC1)C1CCOCC1 ZINC000190829393 337395467 /nfs/dbraw/zinc/39/54/67/337395467.db2.gz DFEWYTISXSFSIO-UHFFFAOYSA-N -1 0 324.402 2.116 50 0 DEAARM COc1ccc(-n2c(COCC(=O)[O-])nc3ccccc32)cn1 ZINC000067881836 500630882 /nfs/dbraw/zinc/63/08/82/500630882.db2.gz HPCXCCMUNGOSJS-UHFFFAOYSA-N -1 0 313.313 2.030 50 0 DEAARM C[C@H](CN(C)C(=O)c1ccc(OC[C@H]2CCCO2)cc1)C(=O)[O-] ZINC000299331738 534015807 /nfs/dbraw/zinc/01/58/07/534015807.db2.gz CJFKDAXLCKQRNG-IUODEOHRSA-N -1 0 321.373 2.037 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2cc3ccccc3o2)CCO1 ZINC000299747637 534503808 /nfs/dbraw/zinc/50/38/08/534503808.db2.gz DMFLTOAFUVLGSY-CQSZACIVSA-N -1 0 317.341 2.068 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)c2ncoc2[C@H]2CCCO2)c1 ZINC000299740858 534549378 /nfs/dbraw/zinc/54/93/78/534549378.db2.gz BSNSPWJGRORKKE-GFCCVEGCSA-N -1 0 316.313 2.154 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000299744911 534858103 /nfs/dbraw/zinc/85/81/03/534858103.db2.gz VLAQCQYWFASYQL-CQSZACIVSA-N -1 0 321.421 2.022 50 0 DEAARM CCOc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000299752631 528601770 /nfs/dbraw/zinc/60/17/70/528601770.db2.gz UUPRMCMCJRBBRY-KFWWJZLASA-N -1 0 303.358 2.470 50 0 DEAARM CCOc1ccccc1CCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000299741610 528717444 /nfs/dbraw/zinc/71/74/44/528717444.db2.gz GVEFFTHJFBXDTB-INIZCTEOSA-N -1 0 323.414 2.094 50 0 DEAARM C[C@@](NC(=O)[C@H]1CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC000766963487 640932969 /nfs/dbraw/zinc/93/29/69/640932969.db2.gz UOEXUTLHTHRHDN-SKDRFNHKSA-N -1 0 302.157 2.296 50 0 DEAARM Cc1[nH][nH]c(=O)c1CC(=O)NCc1ccc2sccc2c1 ZINC000067847549 648358867 /nfs/dbraw/zinc/35/88/67/648358867.db2.gz KLUJZOBHKUGJIA-UHFFFAOYSA-N -1 0 301.371 2.497 50 0 DEAARM CC[C@H](OC1CCCCC1)C(=O)N1CC[C@@H]([C@@H](F)C(=O)[O-])C1 ZINC000952849274 792776772 /nfs/dbraw/zinc/77/67/72/792776772.db2.gz MUAZXJPEKYMFLE-KWCYVHTRSA-N -1 0 315.385 2.386 50 0 DEAARM CCN(C[C@H]1CCCCO1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC001529115037 1070868405 /nfs/dbraw/zinc/86/84/05/1070868405.db2.gz XOTSYUCOICOMBL-GFCCVEGCSA-N -1 0 308.378 2.361 50 0 DEAARM O=C([O-])c1coc(N2CCC([C@@H](O)c3cccs3)CC2)n1 ZINC001529172704 1070901417 /nfs/dbraw/zinc/90/14/17/1070901417.db2.gz GTMNMHFWMBLDQA-GFCCVEGCSA-N -1 0 308.359 2.384 50 0 DEAARM O=C([O-])CCC1CCN(C(=O)/C=C/c2cc(CO)cs2)CC1 ZINC001506428184 1061973928 /nfs/dbraw/zinc/97/39/28/1061973928.db2.gz YEHJYVZCHLXWNS-NSCUHMNNSA-N -1 0 323.414 2.357 50 0 DEAARM CC(C)(C)O[C@H](O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001537785283 1072320528 /nfs/dbraw/zinc/32/05/28/1072320528.db2.gz RFINNQPEUBQDTL-YPMHNXCESA-N -1 0 301.770 2.016 50 0 DEAARM CC(C)(C)O[C@H](O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001537785280 1072320819 /nfs/dbraw/zinc/32/08/19/1072320819.db2.gz RFINNQPEUBQDTL-AAEUAGOBSA-N -1 0 301.770 2.016 50 0 DEAARM Cc1cccc([C@@H](C(=O)NC2(C(=O)[O-])CCCC2)N(C)C)c1 ZINC000095505387 185375249 /nfs/dbraw/zinc/37/52/49/185375249.db2.gz IHUVQWWCTAUWHY-AWEZNQCLSA-N -1 0 304.390 2.111 50 0 DEAARM CCCn1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccco2)c(C)n1 ZINC000095518376 185376948 /nfs/dbraw/zinc/37/69/48/185376948.db2.gz CZSNCURYMOGSHM-LBPRGKRZSA-N -1 0 305.334 2.140 50 0 DEAARM CCCCCCc1ccc(S(=O)(=O)[N-]c2nn[nH]n2)cc1 ZINC000096749869 185386139 /nfs/dbraw/zinc/38/61/39/185386139.db2.gz XOFIZADECMMKKN-UHFFFAOYSA-N -1 0 309.395 2.123 50 0 DEAARM O=C(COC[C@@H]1CCOC1)Nc1ccc2[n-]c(=S)oc2c1 ZINC000163573456 197639131 /nfs/dbraw/zinc/63/91/31/197639131.db2.gz YNAAPZQPFUOCPB-SECBINFHSA-N -1 0 308.359 2.108 50 0 DEAARM CCCc1sc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1CC ZINC000088374390 185247550 /nfs/dbraw/zinc/24/75/50/185247550.db2.gz PVDURIBAAFNDBD-NSHDSACASA-N -1 0 311.403 2.189 50 0 DEAARM Cc1c(Br)cccc1C(=O)NC(C)(C)C(=O)[O-] ZINC000088440269 185250672 /nfs/dbraw/zinc/25/06/72/185250672.db2.gz NVPUUMYVZIJEOK-UHFFFAOYSA-N -1 0 300.152 2.351 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1 ZINC000097018003 185397860 /nfs/dbraw/zinc/39/78/60/185397860.db2.gz RXNCBBIXRYRLBL-INIZCTEOSA-N -1 0 321.336 2.428 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1coc(-c2ccccc2)n1 ZINC000097017577 185397885 /nfs/dbraw/zinc/39/78/85/185397885.db2.gz XQPCINKYQDABGC-ZDUSSCGKSA-N -1 0 300.314 2.421 50 0 DEAARM O=C([O-])CN1C(=O)S/C(=C/c2ccc3c(c2)CCCO3)C1=O ZINC000095470837 185372631 /nfs/dbraw/zinc/37/26/31/185372631.db2.gz XRMAKSWWLFBAKJ-KPKJPENVSA-N -1 0 319.338 2.133 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000299265632 529880003 /nfs/dbraw/zinc/88/00/03/529880003.db2.gz IZMPGXMPFUMZAC-OAHLLOKOSA-N -1 0 321.373 2.181 50 0 DEAARM O=C(NCC1(O)CCSCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000081484884 539383333 /nfs/dbraw/zinc/38/33/33/539383333.db2.gz ISSYSBMTQUNODD-UHFFFAOYSA-N -1 0 324.427 2.478 50 0 DEAARM O=C([O-])c1cc(Br)nc(N2CCSCC2)c1 ZINC000725347965 787356582 /nfs/dbraw/zinc/35/65/82/787356582.db2.gz WFVIHXIMHKPFQH-UHFFFAOYSA-N -1 0 303.181 2.096 50 0 DEAARM CCOC(=O)c1cnc(C(=O)[N-]c2nncs2)c(Cl)c1 ZINC000152589522 186087814 /nfs/dbraw/zinc/08/78/14/186087814.db2.gz IIUZQXCOVQDDTO-UHFFFAOYSA-N -1 0 312.738 2.016 50 0 DEAARM C[C@@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1cc2ccccc2o1 ZINC000237456916 186292591 /nfs/dbraw/zinc/29/25/91/186292591.db2.gz WODUAMGGQUWQHJ-DGCLKSJQSA-N -1 0 317.341 2.238 50 0 DEAARM O=C([O-])C[C@H]1CCCN1C(=O)c1cccnc1C(F)(F)F ZINC000262861035 186314757 /nfs/dbraw/zinc/31/47/57/186314757.db2.gz FDKMNXRJERKBBC-MRVPVSSYSA-N -1 0 302.252 2.180 50 0 DEAARM O=C([O-])C[C@H]1CCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000262889401 186319634 /nfs/dbraw/zinc/31/96/34/186319634.db2.gz HUEQGOJZRAEQON-GFCCVEGCSA-N -1 0 321.377 2.126 50 0 DEAARM O=C([O-])CSCC(=O)Nc1ccccc1N1CCCCC1 ZINC000000117870 180698293 /nfs/dbraw/zinc/69/82/93/180698293.db2.gz KUURGNAYJOTGRK-UHFFFAOYSA-N -1 0 308.403 2.433 50 0 DEAARM O=C([O-])C1(Oc2ccccc2)CCN(C(=O)c2ccoc2)CC1 ZINC000072453750 191170940 /nfs/dbraw/zinc/17/09/40/191170940.db2.gz AEQOALIQQVGYSH-UHFFFAOYSA-N -1 0 315.325 2.418 50 0 DEAARM C[C@H](OCC(F)(F)F)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299753569 539859931 /nfs/dbraw/zinc/85/99/31/539859931.db2.gz YRFAAUXYPMSRDD-MMWGEVLESA-N -1 0 323.311 2.198 50 0 DEAARM COC(=O)c1sccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000474319 180802664 /nfs/dbraw/zinc/80/26/64/180802664.db2.gz NCLPSSAAUMRJND-IUCAKERBSA-N -1 0 309.343 2.140 50 0 DEAARM C[C@@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000003280959 180999486 /nfs/dbraw/zinc/99/94/86/180999486.db2.gz QGFTYOUFGPBUIS-SECBINFHSA-N -1 0 317.794 2.459 50 0 DEAARM CC1=CC[C@@H](C(=O)[O-])[C@H](C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000003640377 181043469 /nfs/dbraw/zinc/04/34/69/181043469.db2.gz RRJNVSTZJCFTLZ-CHWSQXEVSA-N -1 0 317.341 2.089 50 0 DEAARM CCOC(=O)C(C=Nc1cccc(Cl)c1[O-])C(=O)OCC ZINC000019911406 354045135 /nfs/dbraw/zinc/04/51/35/354045135.db2.gz CPYLHRGETWHTQB-UHFFFAOYSA-N -1 0 313.737 2.468 50 0 DEAARM O=C([O-])CCCCCCC[C@@H](O)[C@@H](O)CCCCCCO ZINC000004261791 181089176 /nfs/dbraw/zinc/08/91/76/181089176.db2.gz MEHUJCGAYMDLEL-CABCVRRESA-N -1 0 304.427 2.466 50 0 biogenic,in-vitro DEAARM Cc1ccc(C)c(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000004671284 181134842 /nfs/dbraw/zinc/13/48/42/181134842.db2.gz JLVDOUVDFOGCCD-UHFFFAOYSA-N -1 0 319.382 2.480 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)Nc1cc(OC)ccc1OC)C(=O)[O-] ZINC000005148628 181209396 /nfs/dbraw/zinc/20/93/96/181209396.db2.gz AWWFLAVCZRAGFN-RNCFNFMXSA-N -1 0 310.350 2.325 50 0 DEAARM Cc1nscc1C(=O)[N-]S(=O)(=O)Cc1cc(C)ccc1C ZINC000170612243 355989299 /nfs/dbraw/zinc/98/92/99/355989299.db2.gz ORJNCWATWZLAJW-UHFFFAOYSA-N -1 0 324.427 2.328 50 0 DEAARM CCN(C[C@H](C)C(=O)OC)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000170642125 355991269 /nfs/dbraw/zinc/99/12/69/355991269.db2.gz WPJIBRFGYKQIFH-VIFPVBQESA-N -1 0 322.386 2.388 50 0 DEAARM CCCO[C@@H]1CCCN(C(=O)c2ccc(C(=O)[O-])nc2)CC1 ZINC000236899302 202059896 /nfs/dbraw/zinc/05/98/96/202059896.db2.gz VAVDVYQWLPRCBP-CYBMUJFWSA-N -1 0 306.362 2.201 50 0 DEAARM CCOc1ccc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000236920478 202071880 /nfs/dbraw/zinc/07/18/80/202071880.db2.gz BJVFBHMMCLMPNL-KRWDZBQOSA-N -1 0 305.374 2.341 50 0 DEAARM CCOc1ccc(CCC(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000236919497 202072544 /nfs/dbraw/zinc/07/25/44/202072544.db2.gz KLFAJICYBCDEFD-UHFFFAOYSA-N -1 0 305.374 2.341 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2cccnc2)[C@H]1C(=O)[O-] ZINC000381787018 356672439 /nfs/dbraw/zinc/67/24/39/356672439.db2.gz IRYTUHYMXVAETE-OLZOCXBDSA-N -1 0 306.362 2.334 50 0 DEAARM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccoc2CC(=O)[O-])C1(C)C ZINC000585134147 357336033 /nfs/dbraw/zinc/33/60/33/357336033.db2.gz GAKXEUTZYKJYIT-CHWSQXEVSA-N -1 0 309.362 2.182 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1CC2(CCCC2)[C@H]1C(=O)[O-] ZINC000585134315 357336133 /nfs/dbraw/zinc/33/61/33/357336133.db2.gz MTWZRYCZNRYHQD-CQSZACIVSA-N -1 0 306.362 2.080 50 0 DEAARM O=C([O-])COCC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000044980258 304070154 /nfs/dbraw/zinc/07/01/54/304070154.db2.gz GSZNYWNGHTWTJP-UHFFFAOYSA-N -1 0 321.329 2.158 50 0 DEAARM O=C([O-])c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000005900832 181294290 /nfs/dbraw/zinc/29/42/90/181294290.db2.gz MCLYUBBOZKFRFQ-CYBMUJFWSA-N -1 0 324.336 2.376 50 0 DEAARM CCCN1CCC[C@]2(CCN(c3ccc(C(=O)[O-])cn3)C2)C1=O ZINC000091892848 283342759 /nfs/dbraw/zinc/34/27/59/283342759.db2.gz WHYRQQOBCFUPNO-QGZVFWFLSA-N -1 0 317.389 2.009 50 0 DEAARM Cc1oc(-c2ccccc2)nc1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237648709 202317655 /nfs/dbraw/zinc/31/76/55/202317655.db2.gz SRCJIYYUEPBHPG-AWEZNQCLSA-N -1 0 314.341 2.268 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccccc2OCC2CC2)C1 ZINC000237654536 202317970 /nfs/dbraw/zinc/31/79/70/202317970.db2.gz HTBALNGHJFHCQL-QGZVFWFLSA-N -1 0 303.358 2.412 50 0 DEAARM Cc1cn(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)c2ccccc12 ZINC000237784829 202353447 /nfs/dbraw/zinc/35/34/47/202353447.db2.gz BFTPDYZDUFFVQW-KRWDZBQOSA-N -1 0 300.358 2.273 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2Cc3cccc(F)c3O2)cc1 ZINC000238119789 202443856 /nfs/dbraw/zinc/44/38/56/202443856.db2.gz AOXFGTOXLRUDKA-AWEZNQCLSA-N -1 0 315.300 2.144 50 0 DEAARM C[C@H](C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000191010143 200616179 /nfs/dbraw/zinc/61/61/79/200616179.db2.gz BESJNDBSFCOTDC-DTWKUNHWSA-N -1 0 317.794 2.207 50 0 DEAARM CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000006146057 181316069 /nfs/dbraw/zinc/31/60/69/181316069.db2.gz AULKIKCFBLNDKX-UHFFFAOYSA-N -1 0 322.361 2.376 50 0 DEAARM O=C([O-])[C@@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000113631 304107106 /nfs/dbraw/zinc/10/71/06/304107106.db2.gz LWYYYWNLCLHWQV-NWDGAFQWSA-N -1 0 305.330 2.287 50 0 DEAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000006800747 181391126 /nfs/dbraw/zinc/39/11/26/181391126.db2.gz SMCLCSHXZNOMCC-UHFFFAOYSA-N -1 0 319.338 2.388 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c[nH]1 ZINC000006893564 181402303 /nfs/dbraw/zinc/40/23/03/181402303.db2.gz DESZVUGQDUDRCR-UHFFFAOYSA-N -1 0 314.750 2.256 50 0 DEAARM O=C([O-])[C@@H]1CS[C@@H](c2cc(F)ccc2Br)N1 ZINC000000076438 304137731 /nfs/dbraw/zinc/13/77/31/304137731.db2.gz UAVIBZFBXKULRR-IUCAKERBSA-N -1 0 306.156 2.376 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1cscn1 ZINC000262493971 304143677 /nfs/dbraw/zinc/14/36/77/304143677.db2.gz ZVGAGOSQHTVKRW-UHTWSYAYSA-N -1 0 308.403 2.320 50 0 DEAARM CN(Cc1ccc(Br)s1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000258731159 203070555 /nfs/dbraw/zinc/07/05/55/203070555.db2.gz QYWBHRIYIBMMRQ-SFYZADRCSA-N -1 0 318.192 2.190 50 0 DEAARM CCOc1cc(C(=O)N2CC=C(C)CC2)ccc1OCC(=O)[O-] ZINC000262139033 203208838 /nfs/dbraw/zinc/20/88/38/203208838.db2.gz NBMDXOUNSDZULQ-UHFFFAOYSA-N -1 0 319.357 2.341 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCc1ccncc1 ZINC000246757829 304148684 /nfs/dbraw/zinc/14/86/84/304148684.db2.gz XXKRAUBTJGFQFU-KFWWJZLASA-N -1 0 302.374 2.259 50 0 DEAARM Cc1ccc(CCCCC(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000262550022 203327181 /nfs/dbraw/zinc/32/71/81/203327181.db2.gz WVIJRHFTJDXFPK-OAHLLOKOSA-N -1 0 305.374 2.020 50 0 DEAARM Cn1nccc1C(=O)N1CCC[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095363581 193431672 /nfs/dbraw/zinc/43/16/72/193431672.db2.gz XBGHKVAIMIENRQ-AWEZNQCLSA-N -1 0 313.357 2.138 50 0 DEAARM CSc1ccc([C@H](C(=O)[O-])N(C)Cc2nnc(C)o2)cc1 ZINC000095388233 193442499 /nfs/dbraw/zinc/44/24/99/193442499.db2.gz DWRNIJIAKGQCKS-CYBMUJFWSA-N -1 0 307.375 2.358 50 0 DEAARM CCCS(=O)(=O)N[C@H](CC(=O)[O-])c1ccccc1Cl ZINC000013342971 181845146 /nfs/dbraw/zinc/84/51/46/181845146.db2.gz MFWLVDCJTZKCGD-LLVKDONJSA-N -1 0 305.783 2.185 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@H](C(=O)[O-])C1 ZINC000016696972 182058066 /nfs/dbraw/zinc/05/80/66/182058066.db2.gz VLRKCGUUHDUPDO-AWEZNQCLSA-N -1 0 320.389 2.193 50 0 DEAARM Cc1ccc(OCC(=O)[N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000016713488 182058666 /nfs/dbraw/zinc/05/86/66/182058666.db2.gz KPTCEIBWVHKTQB-UHFFFAOYSA-N -1 0 319.382 2.187 50 0 DEAARM CC(C)c1cc(C(N)=O)c(NC(=O)C[C@@H](C)CC(=O)[O-])s1 ZINC000017032476 182069903 /nfs/dbraw/zinc/06/99/03/182069903.db2.gz LJDMVHOVIBGAPL-MRVPVSSYSA-N -1 0 312.391 2.410 50 0 DEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cc(C)cc(C)c1 ZINC000017306813 182082173 /nfs/dbraw/zinc/08/21/73/182082173.db2.gz VLOKZKRVDBHBKH-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C)c1C ZINC000017306829 182082337 /nfs/dbraw/zinc/08/23/37/182082337.db2.gz UHUFTXFJCRLTRW-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM C[C@@H](OCC(F)(F)F)C(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237397702 296205737 /nfs/dbraw/zinc/20/57/37/296205737.db2.gz DYRIGCPPASWZQI-NXEZZACHSA-N -1 0 311.300 2.200 50 0 DEAARM Cc1ccc(NS(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(Cl)c1 ZINC000020471358 182221658 /nfs/dbraw/zinc/22/16/58/182221658.db2.gz YMQMRGWLCBWBKN-UHFFFAOYSA-N -1 0 314.750 2.476 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cc(Cl)ccc1C(N)=O ZINC000027057848 182461255 /nfs/dbraw/zinc/46/12/55/182461255.db2.gz PELABPAMVKOTGB-UHFFFAOYSA-N -1 0 312.753 2.268 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cnc(-c2ccccn2)s1 ZINC000159825216 197367098 /nfs/dbraw/zinc/36/70/98/197367098.db2.gz QCVBVROTUDIXFA-NSHDSACASA-N -1 0 317.370 2.284 50 0 DEAARM CC(=O)c1cn(CCC(=O)NCCCC(=O)[O-])c2ccccc12 ZINC000040309926 183053268 /nfs/dbraw/zinc/05/32/68/183053268.db2.gz MWGDAYRVZNGXKJ-UHFFFAOYSA-N -1 0 316.357 2.215 50 0 biogenic DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])cc1 ZINC000268885410 207054599 /nfs/dbraw/zinc/05/45/99/207054599.db2.gz BOLVUNGVEYWYII-WCVJEAGWSA-N -1 0 317.385 2.300 50 0 DEAARM O=C([O-])[C@H]1C[C@H]1C(=O)N(Cc1ccccc1)CC1CCOCC1 ZINC000268907798 207075034 /nfs/dbraw/zinc/07/50/34/207075034.db2.gz LVTYKLXGLCHZGA-CVEARBPZSA-N -1 0 317.385 2.163 50 0 DEAARM CC[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC000268934247 207099979 /nfs/dbraw/zinc/09/99/79/207099979.db2.gz FKUWYJDOIYUYRR-QYNIQEEDSA-N -1 0 322.308 2.450 50 0 DEAARM Cc1nnc(COc2ccc(C(=O)[O-])cc2Br)o1 ZINC000058181466 184085588 /nfs/dbraw/zinc/08/55/88/184085588.db2.gz RLJBIOODUZEDRF-UHFFFAOYSA-N -1 0 313.107 2.418 50 0 DEAARM Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)N(C)c2ccccc2)c1 ZINC000058377310 184110297 /nfs/dbraw/zinc/11/02/97/184110297.db2.gz RCJXFCSAENZBDQ-UHFFFAOYSA-N -1 0 321.354 2.224 50 0 DEAARM CCn1cc(C)c(C(=O)[O-])c1CC(=O)NCc1cccs1 ZINC000064980698 184307582 /nfs/dbraw/zinc/30/75/82/184307582.db2.gz XWHQJYMZZJPXSY-UHFFFAOYSA-N -1 0 306.387 2.435 50 0 DEAARM Cc1nn2c(nc(C)c2S(=O)(=O)[N-]c2ccccc2)s1 ZINC000065183688 184314127 /nfs/dbraw/zinc/31/41/27/184314127.db2.gz JHIKZTBNGJQRTJ-UHFFFAOYSA-N -1 0 308.388 2.208 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC(C(F)(F)F)CC2)cn1 ZINC000088436145 304233201 /nfs/dbraw/zinc/23/32/01/304233201.db2.gz SLLJMEXQLMCEGW-UHFFFAOYSA-N -1 0 302.252 2.194 50 0 DEAARM O=C([O-])CCc1nnc2c3cc(-c4ccccc4)nn3ccn12 ZINC000067225216 184455592 /nfs/dbraw/zinc/45/55/92/184455592.db2.gz GYSQOTRZEZJFIZ-UHFFFAOYSA-N -1 0 307.313 2.061 50 0 DEAARM O=C([O-])c1ccc2c(c1)n(Cc1ccccc1)c(=O)c1ccnn12 ZINC000169676907 304254039 /nfs/dbraw/zinc/25/40/39/304254039.db2.gz WLDRQWWARYVWIE-UHFFFAOYSA-N -1 0 319.320 2.396 50 0 DEAARM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000036966286 299568847 /nfs/dbraw/zinc/56/88/47/299568847.db2.gz KZVSVQPFSQLBIH-WDEREUQCSA-N -1 0 311.765 2.431 50 0 DEAARM O=C([O-])c1ccc(NC=Cc2nnnn2-c2ccccc2)cc1 ZINC000004347742 256517279 /nfs/dbraw/zinc/51/72/79/256517279.db2.gz NEIWJXAZAZNZQI-KHPPLWFESA-N -1 0 307.313 2.443 50 0 DEAARM O=C([O-])CCN(C(=O)/C=C/c1cccc(F)c1)C1CCOCC1 ZINC000238071590 257237817 /nfs/dbraw/zinc/23/78/17/257237817.db2.gz JCRPKMRPRUVSCS-SNAWJCMRSA-N -1 0 321.348 2.321 50 0 DEAARM C[C@@H](CN(C)C(=O)CCC(=O)c1ccc(F)cc1F)C(=O)[O-] ZINC000263239951 132578849 /nfs/dbraw/zinc/57/88/49/132578849.db2.gz RMWPLCZMSZTGAD-VIFPVBQESA-N -1 0 313.300 2.107 50 0 DEAARM C[C@H](C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)[O-])n1cccn1 ZINC000262547713 145292179 /nfs/dbraw/zinc/29/21/79/145292179.db2.gz WHTAZINFGFGYPV-OUCADQQQSA-N -1 0 301.346 2.022 50 0 DEAARM C[C@H](C(=O)Nc1cccc(OCC(=O)[O-])c1)C1CCOCC1 ZINC000262728106 145302086 /nfs/dbraw/zinc/30/20/86/145302086.db2.gz AATLZFKYNQJCPG-NSHDSACASA-N -1 0 307.346 2.151 50 0 DEAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc3c(c2)CCC=C3)C1 ZINC000262894596 145309416 /nfs/dbraw/zinc/30/94/16/145309416.db2.gz DETYKYRADUJSLT-SFHVURJKSA-N -1 0 315.369 2.209 50 0 DEAARM COc1cc(OC)cc(C(C)(C)OC(=O)N[C@H](C)C(=O)[O-])c1 ZINC000003133989 401721904 /nfs/dbraw/zinc/72/19/04/401721904.db2.gz DQYVXSMGPCFHSK-SECBINFHSA-N -1 0 311.334 2.138 50 0 DEAARM O=C(C[C@@H]1SC(=O)[N-]C1=O)Nc1cccc(C(F)(F)F)c1 ZINC000003905266 401725060 /nfs/dbraw/zinc/72/50/60/401725060.db2.gz WNGCNUYBVNHEHM-QMMMGPOBSA-N -1 0 318.276 2.386 50 0 DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1 ZINC000000095200 401687947 /nfs/dbraw/zinc/68/79/47/401687947.db2.gz UTVCPAPWORAKEV-UHFFFAOYSA-N -1 0 309.347 2.051 50 0 in-man DEAARM COc1ccc(C2(CNC(=O)CCC(=O)[O-])CCCC2)cc1 ZINC000000528597 401700114 /nfs/dbraw/zinc/70/01/14/401700114.db2.gz WSKXSBFOSRSGFT-UHFFFAOYSA-N -1 0 305.374 2.488 50 0 DEAARM CCOC(=O)[C@](NC(C)=O)(Nc1ccc(F)cc1)C(F)(F)F ZINC000002317067 401712710 /nfs/dbraw/zinc/71/27/10/401712710.db2.gz VDIPNGWREPJZLR-LBPRGKRZSA-N -1 0 322.258 2.195 50 0 DEAARM CC(C)c1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013263075 401798050 /nfs/dbraw/zinc/79/80/50/401798050.db2.gz QAAHFDIAOPVUER-CYBMUJFWSA-N -1 0 311.403 2.295 50 0 DEAARM CCNC(=O)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000013254276 401798287 /nfs/dbraw/zinc/79/82/87/401798287.db2.gz HNXWUDVVIHTKKH-KGLIPLIRSA-N -1 0 316.357 2.042 50 0 DEAARM COc1ccc(S(=O)(=O)Oc2ccc(C(=O)[O-])cc2)cc1 ZINC000013341805 401798948 /nfs/dbraw/zinc/79/89/48/401798948.db2.gz CFOCFGGNQSAPMA-UHFFFAOYSA-N -1 0 308.311 2.161 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NCc1ccccc1 ZINC000013419563 401799384 /nfs/dbraw/zinc/79/93/84/401799384.db2.gz CVEQSIRZOUANNF-UHFFFAOYSA-N -1 0 315.325 2.089 50 0 DEAARM O=C([O-])c1ccc(OCC(=O)N2CCC(c3ccccc3)=N2)cc1 ZINC000013413219 401799620 /nfs/dbraw/zinc/79/96/20/401799620.db2.gz YSUHIVMKTFIVDT-UHFFFAOYSA-N -1 0 324.336 2.400 50 0 DEAARM O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)NC1CCCCC1 ZINC000013555418 401800783 /nfs/dbraw/zinc/80/07/83/401800783.db2.gz OQVSBTLOORAFDM-KHPPLWFESA-N -1 0 316.357 2.328 50 0 DEAARM O=C([O-])c1ccccc1OCCN1C(=O)c2ccccc2C1=O ZINC000075283530 401756568 /nfs/dbraw/zinc/75/65/68/401756568.db2.gz TVBKUIOTZOJOFX-UHFFFAOYSA-N -1 0 311.293 2.060 50 0 DEAARM CC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013012561 401795155 /nfs/dbraw/zinc/79/51/55/401795155.db2.gz YGQJKQUFUFKGNW-UONOGXRCSA-N -1 0 302.330 2.251 50 0 DEAARM O=C([O-])c1ccnc(-c2ccnc(NCCc3ccncc3)n2)c1 ZINC000077564719 401820503 /nfs/dbraw/zinc/82/05/03/401820503.db2.gz OJXMHNDTFBXOJZ-UHFFFAOYSA-N -1 0 321.340 2.286 50 0 DEAARM CC(=O)c1ccc(N2CCN(CCCC(=O)[O-])CC2)c(F)c1 ZINC000116348950 401850223 /nfs/dbraw/zinc/85/02/23/401850223.db2.gz JKEHXDXEPKLIKM-UHFFFAOYSA-N -1 0 308.353 2.015 50 0 DEAARM O=C([O-])C1(NC(=O)C2=NO[C@@H](c3ccccc3)C2)CCCC1 ZINC000078702917 401862620 /nfs/dbraw/zinc/86/26/20/401862620.db2.gz CTRUHTWGENTZHT-CYBMUJFWSA-N -1 0 302.330 2.018 50 0 DEAARM COC(=O)c1ccnc([N-]S(=O)(=O)c2cc(F)ccc2C)c1 ZINC000078804598 401866784 /nfs/dbraw/zinc/86/67/84/401866784.db2.gz PRDKAAQRUFGUHE-UHFFFAOYSA-N -1 0 324.333 2.117 50 0 DEAARM COc1ccc2c(ccn2CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c1 ZINC000032124469 401876853 /nfs/dbraw/zinc/87/68/53/401876853.db2.gz PBRWFEIWPOUCFN-AWEZNQCLSA-N -1 0 318.373 2.265 50 0 biogenic DEAARM CC[C@@H](O[C@H]1C=CC(=O)N(c2cc(Cl)ccc2C)N1)C(=O)[O-] ZINC000032918631 401885675 /nfs/dbraw/zinc/88/56/75/401885675.db2.gz IQOQNAPURKJVDX-OLZOCXBDSA-N -1 0 324.764 2.262 50 0 DEAARM Cc1ccc(-c2nnc(CCC(=O)N3CCCC3)c(=O)[n-]2)cc1 ZINC000034768764 401893844 /nfs/dbraw/zinc/89/38/44/401893844.db2.gz JLLSVELSPWHVEP-UHFFFAOYSA-N -1 0 312.373 2.108 50 0 DEAARM Cc1cccc(-c2nnc(CCC(=O)NCC3CC3)c(=O)[n-]2)c1 ZINC000034768735 401893951 /nfs/dbraw/zinc/89/39/51/401893951.db2.gz WYYRJKHJSWHSQL-UHFFFAOYSA-N -1 0 312.373 2.011 50 0 DEAARM Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000036983367 401909645 /nfs/dbraw/zinc/90/96/45/401909645.db2.gz LTTRVDPUTZEJLM-JTQLQIEISA-N -1 0 317.794 2.134 50 0 DEAARM Cc1c(CCNC(=O)c2cc(F)cc(Cl)c2[O-])cnn1C ZINC000089544725 401952010 /nfs/dbraw/zinc/95/20/10/401952010.db2.gz BXWBDLMXYMDSPV-UHFFFAOYSA-N -1 0 311.744 2.199 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000136118377 401960596 /nfs/dbraw/zinc/96/05/96/401960596.db2.gz BRTURYMWAXFILB-DZGCQCFKSA-N -1 0 303.358 2.014 50 0 DEAARM Cc1cc2c(cc1Br)N(Cc1n[nH]c(=O)[n-]1)CCC2 ZINC000089264653 401940409 /nfs/dbraw/zinc/94/04/09/401940409.db2.gz MXSDCNCCJIAQBM-UHFFFAOYSA-N -1 0 323.194 2.122 50 0 DEAARM COc1ccccc1C1(C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1 ZINC000089473511 401948521 /nfs/dbraw/zinc/94/85/21/401948521.db2.gz SHBYZDVELANBGH-LBPRGKRZSA-N -1 0 303.358 2.050 50 0 DEAARM O=C([O-])CN(Cc1ccccc1)C(=O)c1noc2c1CCCC2 ZINC000095956973 402036507 /nfs/dbraw/zinc/03/65/07/402036507.db2.gz BWWYKUUSHQVACC-UHFFFAOYSA-N -1 0 314.341 2.280 50 0 DEAARM C[C@@](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)(C(=O)[O-])C1CC1 ZINC000097036229 402100731 /nfs/dbraw/zinc/10/07/31/402100731.db2.gz ABLSDRFLBJHAHS-INIZCTEOSA-N -1 0 317.320 2.199 50 0 DEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)CCn2ccc3ccccc32)C1 ZINC000097039285 402101547 /nfs/dbraw/zinc/10/15/47/402101547.db2.gz KELRSURPNUVYQS-ZIAGYGMSSA-N -1 0 300.358 2.401 50 0 DEAARM Cn1ccnc1C1CCN(C(=O)c2ccc(C(=O)[O-])cc2)CC1 ZINC000097307314 402121588 /nfs/dbraw/zinc/12/15/88/402121588.db2.gz JKDZVJGJDGWEMT-UHFFFAOYSA-N -1 0 313.357 2.138 50 0 DEAARM CN(CC(=O)[O-])C(=O)c1nc(-c2ccccc2)oc1C1CC1 ZINC000153067908 402124710 /nfs/dbraw/zinc/12/47/10/402124710.db2.gz DIVBZYFTMFBYPF-UHFFFAOYSA-N -1 0 300.314 2.376 50 0 DEAARM COc1ccc2cc(C(=O)N[C@H](CCSC)C(=O)[O-])[nH]c2c1 ZINC000098038131 402135476 /nfs/dbraw/zinc/13/54/76/402135476.db2.gz XBEQBOJIHMCZEZ-LLVKDONJSA-N -1 0 322.386 2.113 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167186 402143742 /nfs/dbraw/zinc/14/37/42/402143742.db2.gz UZUGHLNIWOWFQD-HUUCEWRRSA-N -1 0 324.315 2.319 50 0 DEAARM COc1cccc(-c2cc(=O)n3nc(C(F)(F)F)[n-]c3n2)c1 ZINC000101139249 402143786 /nfs/dbraw/zinc/14/37/86/402143786.db2.gz YEHURBGELGQETR-UHFFFAOYSA-N -1 0 310.235 2.112 50 0 DEAARM COc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1 ZINC000101144785 402143862 /nfs/dbraw/zinc/14/38/62/402143862.db2.gz ORUUHMIUZYIJNC-CABCVRRESA-N -1 0 322.324 2.193 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCCO2 ZINC000566235819 292220290 /nfs/dbraw/zinc/22/02/90/292220290.db2.gz 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402388942 /nfs/dbraw/zinc/38/89/42/402388942.db2.gz LMKOWQGBMRAXOV-LBPRGKRZSA-N -1 0 318.373 2.139 50 0 DEAARM O=C([O-])CCCNC(=O)COc1ccc(Cl)c2cccnc12 ZINC000237965189 402428681 /nfs/dbraw/zinc/42/86/81/402428681.db2.gz ZZQQGTRQGMLHJM-UHFFFAOYSA-N -1 0 322.748 2.248 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000238079958 402437123 /nfs/dbraw/zinc/43/71/23/402437123.db2.gz YXDWEUSPLKQVKB-CYBMUJFWSA-N -1 0 319.748 2.419 50 0 DEAARM Cc1cccc([C@H](NC(=O)c2nn(C)c3ccccc23)C(=O)[O-])c1 ZINC000244718872 402448651 /nfs/dbraw/zinc/44/86/51/402448651.db2.gz LSOWJUJZTZOAFM-HNNXBMFYSA-N -1 0 323.352 2.437 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000249240605 402623823 /nfs/dbraw/zinc/62/38/23/402623823.db2.gz CUIAUOAATGQYRC-LOWDOPEQSA-N -1 0 309.749 2.007 50 0 DEAARM CS[C@H](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262932800 402737173 /nfs/dbraw/zinc/73/71/73/402737173.db2.gz BMQCUZWTDPAJJS-QMTHXVAHSA-N -1 0 320.414 2.421 50 0 DEAARM CO[C@@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000192909088 402756560 /nfs/dbraw/zinc/75/65/60/402756560.db2.gz RSTJULYKWYHPEV-MRXNPFEDSA-N -1 0 313.353 2.431 50 0 DEAARM Cc1ccc(CS(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1C ZINC000263476462 402772722 /nfs/dbraw/zinc/77/27/22/402772722.db2.gz JJMQTGALLOPUNO-CQSZACIVSA-N -1 0 311.403 2.072 50 0 DEAARM Cc1cc2c(cc1C)[C@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CO2 ZINC000263536570 402779054 /nfs/dbraw/zinc/77/90/54/402779054.db2.gz OUXXTPDIIODKCE-OUCADQQQSA-N -1 0 303.358 2.149 50 0 DEAARM CCO[C@@H]1C[C@@](NC(=O)c2ccc(C)s2)(C(=O)[O-])C1(C)C ZINC000193052950 286309546 /nfs/dbraw/zinc/30/95/46/286309546.db2.gz RLZFQXDDEQOWMN-IAQYHMDHSA-N -1 0 311.403 2.445 50 0 DEAARM Cc1nn(C(C)C)c(C)c1CNC(=O)CCc1cc(=O)[n-]o1 ZINC000299790154 403575660 /nfs/dbraw/zinc/57/56/60/403575660.db2.gz AQYOZAZNOJLTAG-UHFFFAOYSA-N -1 0 306.366 2.023 50 0 DEAARM O=C([O-])[C@H]1C=CCN1C(=O)CCc1nc2ccccc2s1 ZINC000426534144 405367607 /nfs/dbraw/zinc/36/76/07/405367607.db2.gz 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ZINC000102171755 424847280 /nfs/dbraw/zinc/84/72/80/424847280.db2.gz DMWOEZFZNCQUFM-UHFFFAOYSA-N -1 0 305.403 2.187 50 0 DEAARM CC(C)Cc1ccc(CN2CCN(CC(=O)[O-])C(=O)[C@@H]2C)s1 ZINC000244659469 424886094 /nfs/dbraw/zinc/88/60/94/424886094.db2.gz HDFNBICIVHQKJA-LBPRGKRZSA-N -1 0 324.446 2.064 50 0 DEAARM Cc1nscc1C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653329462 425462997 /nfs/dbraw/zinc/46/29/97/425462997.db2.gz WVIJYFGJTKSRSC-DGCLKSJQSA-N -1 0 302.355 2.495 50 0 DEAARM Cc1cc(=O)n2nc(NC(=O)c3ccc(Cl)cc3)[n-]c2n1 ZINC000005956966 278736601 /nfs/dbraw/zinc/73/66/01/278736601.db2.gz HMMUFIZKSHDGDN-UHFFFAOYSA-N -1 0 303.709 2.044 50 0 DEAARM CC(C)C[C@@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000166239 279003089 /nfs/dbraw/zinc/00/30/89/279003089.db2.gz ABPDKVAZYITZMY-SNVBAGLBSA-N -1 0 305.783 2.118 50 0 DEAARM CC1(C)C[C@H](NC(=O)C2(C(=O)[O-])CC2)c2ccc(F)cc2O1 ZINC000241371283 281338069 /nfs/dbraw/zinc/33/80/69/281338069.db2.gz MMDXJIMBRMTYRK-NSHDSACASA-N -1 0 307.321 2.409 50 0 DEAARM CN(C)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000000571948 289034113 /nfs/dbraw/zinc/03/41/13/289034113.db2.gz XKAWLTWBBFIYFD-UHFFFAOYSA-N -1 0 304.371 2.189 50 0 DEAARM CO[N-]C(=O)[C@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000058393722 293375130 /nfs/dbraw/zinc/37/51/30/293375130.db2.gz IABPWJMKMOKNNU-DLUQRMLASA-N -1 0 308.422 2.021 50 0 DEAARM C[C@@H]1C[C@H](C(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])CCO1 ZINC000262604267 297333051 /nfs/dbraw/zinc/33/30/51/297333051.db2.gz AEDRZNHNKAHUIC-KYOSRNDESA-N -1 0 303.358 2.012 50 0 DEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CC[C@@]2(CCOC2)C1 ZINC000154979470 304542248 /nfs/dbraw/zinc/54/22/48/304542248.db2.gz RCMVAIQDLAZUGJ-OAHLLOKOSA-N -1 0 304.371 2.369 50 0 DEAARM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268998732 301016531 /nfs/dbraw/zinc/01/65/31/301016531.db2.gz XKSNOQUUPVUKKP-NSHDSACASA-N -1 0 323.732 2.320 50 0 DEAARM Cc1ncc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000178049595 302694077 /nfs/dbraw/zinc/69/40/77/302694077.db2.gz AUKHJUBUGAGQQM-LBPRGKRZSA-N -1 0 302.355 2.103 50 0 DEAARM Cn1c2nc(-c3cccs3)cc(C(=O)[O-])c2c(=O)[nH]c1=S ZINC000022637770 302903131 /nfs/dbraw/zinc/90/31/31/302903131.db2.gz HMZKVUQBZDUCIA-UHFFFAOYSA-N -1 0 319.367 2.418 50 0 DEAARM Cn1cc(C(=O)[O-])c([C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000170620064 302910140 /nfs/dbraw/zinc/91/01/40/302910140.db2.gz FQZANOCLESEKCT-JTQLQIEISA-N -1 0 309.366 2.233 50 0 DEAARM O=c1[nH]c(-c2c([O-])c3ccccc3[nH]c2=O)nc2ccccc21 ZINC000005687485 304819358 /nfs/dbraw/zinc/81/93/58/304819358.db2.gz PWUYCGNZLFRVPA-UHFFFAOYSA-N -1 0 305.293 2.137 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](Cc1cc(F)ccc1F)C(=O)[O-] ZINC000016697169 331568817 /nfs/dbraw/zinc/56/88/17/331568817.db2.gz DYSZJZJRRBKIDS-LLVKDONJSA-N -1 0 301.289 2.485 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Cl ZINC000018190171 331578117 /nfs/dbraw/zinc/57/81/17/331578117.db2.gz ZGESNSJKRONVBM-UWVGGRQHSA-N -1 0 305.717 2.494 50 0 DEAARM COc1ccc(-c2ccc(-n3nnc(C(=O)[O-])c3C)cc2)cn1 ZINC000534656065 334313628 /nfs/dbraw/zinc/31/36/28/334313628.db2.gz VTFMDMFRKXNAMW-UHFFFAOYSA-N -1 0 310.313 2.345 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccnc(OC2CCC2)c1 ZINC000190549314 336264057 /nfs/dbraw/zinc/26/40/57/336264057.db2.gz OIEGTPNQZLSUGW-ZDUSSCGKSA-N -1 0 304.346 2.092 50 0 DEAARM Cc1noc2ncc(S(=O)(=O)[N-]c3cccc(C)n3)cc12 ZINC000096408029 484019373 /nfs/dbraw/zinc/01/93/73/484019373.db2.gz KKTIZEUGQAWJTF-UHFFFAOYSA-N -1 0 304.331 2.035 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@H]2COc3ccccc32)C1 ZINC000299743009 534495785 /nfs/dbraw/zinc/49/57/85/534495785.db2.gz LLYRCMPWPUKTBP-OCCSQVGLSA-N -1 0 303.358 2.266 50 0 DEAARM Cc1oc(CNC(=O)CO[C@H]2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000299741949 534545093 /nfs/dbraw/zinc/54/50/93/534545093.db2.gz ALESFESXAHERDH-JQWIXIFHSA-N -1 0 309.362 2.498 50 0 DEAARM CC(C)Oc1cccnc1C(=O)NCc1ccc(C(=O)[O-])o1 ZINC000262780510 535066312 /nfs/dbraw/zinc/06/63/12/535066312.db2.gz NZLHOXCWARNTMN-UHFFFAOYSA-N -1 0 304.302 2.090 50 0 DEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000169967219 563901766 /nfs/dbraw/zinc/90/17/66/563901766.db2.gz UEGHYVKMVFFPPY-XROYCOCOSA-N -1 0 301.264 2.398 50 0 DEAARM Cc1cc(C(=O)N[C@H](C)c2nnn[n-]2)c2ccc(C)c(C)c2n1 ZINC000077504963 683952945 /nfs/dbraw/zinc/95/29/45/683952945.db2.gz NPQYGKNETIMQAJ-LLVKDONJSA-N -1 0 310.361 2.164 50 0 DEAARM O=C(/C=C\c1ccnc2ccccc12)[N-]S(=O)(=O)CC1CC1 ZINC000098013024 684055742 /nfs/dbraw/zinc/05/57/42/684055742.db2.gz DHSKIAVITBOGFW-FPLPWBNLSA-N -1 0 316.382 2.104 50 0 DEAARM Cc1cc(C)n([C@H](C)CC(=O)Nc2ccc(C(=O)[O-])nc2)n1 ZINC000864096777 686619177 /nfs/dbraw/zinc/61/91/77/686619177.db2.gz FGKHYFVJGJNGFZ-LLVKDONJSA-N -1 0 302.334 2.183 50 0 DEAARM CCCOc1ccc(C(=O)N(C)c2nnn[n-]2)cc1OCCC ZINC000585126465 790321061 /nfs/dbraw/zinc/32/10/61/790321061.db2.gz ZKGPJXKKHHOKPQ-UHFFFAOYSA-N -1 0 319.365 2.054 50 0 DEAARM Cc1ccccc1-c1noc(-c2nc3c([n-]2)CCCNC3=O)n1 ZINC000095506277 185375420 /nfs/dbraw/zinc/37/54/20/185375420.db2.gz 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COC(=O)c1cc(C2CC2)nc2c1c(C1CC1)nn2CC(=O)[O-] ZINC000012396355 401784260 /nfs/dbraw/zinc/78/42/60/401784260.db2.gz LBQKGDMDCIEZNK-UHFFFAOYSA-N -1 0 315.329 2.057 50 0 DEAARM Cc1c2c(nn1C(C)C)n(CCC(=O)[O-])c(=O)cc2C(F)F ZINC000012397935 401784717 /nfs/dbraw/zinc/78/47/17/401784717.db2.gz ZXCNVMQRXWJAIF-UHFFFAOYSA-N -1 0 313.304 2.500 50 0 DEAARM COc1ccc(OCC(=O)NCc2ccccc2)c(C(=O)[O-])c1 ZINC000013086439 401795680 /nfs/dbraw/zinc/79/56/80/401795680.db2.gz KSDXYLXVWNSJOP-UHFFFAOYSA-N -1 0 315.325 2.089 50 0 DEAARM CO[N-]C(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C ZINC000032848406 401885039 /nfs/dbraw/zinc/88/50/39/401885039.db2.gz ZQIVBTQJTYTUJD-CQSZACIVSA-N -1 0 306.406 2.416 50 0 DEAARM CCN(CC(F)(F)F)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000042791735 401935196 /nfs/dbraw/zinc/93/51/96/401935196.db2.gz CHWFVPBOBJUKSI-JTQLQIEISA-N -1 0 304.268 2.406 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000136118457 401960870 /nfs/dbraw/zinc/96/08/70/401960870.db2.gz 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/nfs/dbraw/zinc/76/49/81/402764981.db2.gz HSMYPOINPBKTFB-QMMMGPOBSA-N -1 0 313.283 2.094 50 0 DEAARM Cc1c(NC(=O)c2cnc(C(=O)[O-])cn2)cnn1C1CCCC1 ZINC000263428358 402768351 /nfs/dbraw/zinc/76/83/51/402768351.db2.gz MSKUQPHANXOBMX-UHFFFAOYSA-N -1 0 315.333 2.047 50 0 DEAARM COc1cccc(C2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)c1 ZINC000263533716 402778341 /nfs/dbraw/zinc/77/83/41/402778341.db2.gz NPHFZXKXRYYLNU-CABCVRRESA-N -1 0 303.358 2.122 50 0 DEAARM Cc1c(C(=O)[O-])cnn1-c1ncc2c(n1)-c1ccccc1CC2 ZINC000299798742 403578692 /nfs/dbraw/zinc/57/86/92/403578692.db2.gz ULFJSYWAPPPRHT-UHFFFAOYSA-N -1 0 306.325 2.435 50 0 DEAARM CCO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H]2C(=O)[O-])s1 ZINC000299745931 286431448 /nfs/dbraw/zinc/43/14/48/286431448.db2.gz UDVRYSVOTFTXMF-NXEZZACHSA-N -1 0 312.391 2.238 50 0 DEAARM CCCOC[C@H]1CCN(C(=O)c2cc(OC)cc(C(=O)[O-])c2)C1 ZINC000426430625 405359340 /nfs/dbraw/zinc/35/93/40/405359340.db2.gz FGXIFZXDRAFDFF-LBPRGKRZSA-N -1 0 321.373 2.282 50 0 DEAARM CSC[C@H](NC(=O)CCc1ccc(Cl)cc1)C(=O)[O-] ZINC000426547616 405368573 /nfs/dbraw/zinc/36/85/73/405368573.db2.gz LPIYKLDIEDOKHE-NSHDSACASA-N -1 0 301.795 2.205 50 0 DEAARM CCOc1ccc(C[C@H](CNC(=O)[C@@H]2C[C@H]2C)C(=O)[O-])cc1 ZINC000583650646 405780457 /nfs/dbraw/zinc/78/04/57/405780457.db2.gz XZXMLKPGHLNZBN-UXIGCNINSA-N -1 0 305.374 2.101 50 0 DEAARM COc1cccc2c1CC[C@@H]2N=c1[n-]c(C2CCOCC2)no1 ZINC000519692330 406235733 /nfs/dbraw/zinc/23/57/33/406235733.db2.gz AYWOZMNVPDLQII-AWEZNQCLSA-N -1 0 315.373 2.494 50 0 DEAARM CCc1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n(C)n1 ZINC000634803462 406291357 /nfs/dbraw/zinc/29/13/57/406291357.db2.gz WYVAEZVWWWPVDS-IAQYHMDHSA-N -1 0 315.373 2.174 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000178274632 224857140 /nfs/dbraw/zinc/85/71/40/224857140.db2.gz UEEIWASNYXUZGI-SNVBAGLBSA-N -1 0 319.748 2.277 50 0 DEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2nc(C)cs2)c1 ZINC000027757017 418413270 /nfs/dbraw/zinc/41/32/70/418413270.db2.gz KRDOWZIGGUDOBZ-UHFFFAOYSA-N -1 0 314.388 2.270 50 0 DEAARM C[C@H](C(=O)[O-])[S@@](=O)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000408520171 227240254 /nfs/dbraw/zinc/24/02/54/227240254.db2.gz PDABSEXZJWAAAG-IPQOISQHSA-N -1 0 323.414 2.035 50 0 DEAARM COc1ccc(CCCCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000299741609 229376771 /nfs/dbraw/zinc/37/67/71/229376771.db2.gz GURYJZIHURGQIC-CQSZACIVSA-N -1 0 305.374 2.341 50 0 DEAARM C[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000299745695 229386772 /nfs/dbraw/zinc/38/67/72/229386772.db2.gz RVZOWWUSIUKGNT-MCMMXHMISA-N -1 0 323.414 2.284 50 0 DEAARM O=C([O-])[C@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000299750020 229392895 /nfs/dbraw/zinc/39/28/95/229392895.db2.gz MKIPVHCOFIFAHL-ZJUUUORDSA-N -1 0 304.371 2.066 50 0 DEAARM Nc1c(Br)cc(CC(=O)[O-])cc1Br ZINC000071404320 262542907 /nfs/dbraw/zinc/54/29/07/262542907.db2.gz KIYIWMWVYLKCAZ-UHFFFAOYSA-N -1 0 308.957 2.421 50 0 DEAARM CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000044830402 424813607 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CCCn1nccc1C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000659144500 425535447 /nfs/dbraw/zinc/53/54/47/425535447.db2.gz IAOUNVUCAOSEBK-GFCCVEGCSA-N -1 0 307.394 2.256 50 0 DEAARM Cc1scc(C(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1C ZINC000655596369 425608378 /nfs/dbraw/zinc/60/83/78/425608378.db2.gz DUBDYMIEAQIOJW-ZDUSSCGKSA-N -1 0 304.371 2.186 50 0 DEAARM Cc1cc(C)cc(CC(=O)N[C@@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000663121820 425803218 /nfs/dbraw/zinc/80/32/18/425803218.db2.gz RMLNMMJVIAOTJL-INIZCTEOSA-N -1 0 312.369 2.053 50 0 DEAARM CC(C)C[C@H](NC(=O)N1CCn2c3ccccc3nc21)C(=O)[O-] ZINC000005451712 279185757 /nfs/dbraw/zinc/18/57/57/279185757.db2.gz WJDVUNRYIZBUMW-LBPRGKRZSA-N -1 0 316.361 2.065 50 0 DEAARM CC(C)C[C@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])nc2)CCO1 ZINC000262207817 279224675 /nfs/dbraw/zinc/22/46/75/279224675.db2.gz SXTBSZMIVPZUGO-STQMWFEESA-N -1 0 306.362 2.103 50 0 DEAARM CC1(C)CN(c2cccc(C(=O)[O-])n2)C[C@@H](C(F)(F)F)O1 ZINC000263387837 281268294 /nfs/dbraw/zinc/26/82/94/281268294.db2.gz FIOWXJRFZWGJAJ-VIFPVBQESA-N -1 0 304.268 2.326 50 0 DEAARM CN(CC(=O)[O-])C(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000237155644 289487448 /nfs/dbraw/zinc/48/74/48/289487448.db2.gz MVMWAJPSPOCCPD-UWVGGRQHSA-N -1 0 301.264 2.352 50 0 DEAARM COc1cc(C(=O)N(CC(=O)[O-])C2CC2)ccc1OC(C)C ZINC000268885459 294925537 /nfs/dbraw/zinc/92/55/37/294925537.db2.gz BWIJVBZIITVEBO-UHFFFAOYSA-N -1 0 307.346 2.172 50 0 DEAARM COc1ccc(F)cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000262841772 295150170 /nfs/dbraw/zinc/15/01/70/295150170.db2.gz DAQPNBJSDXWUGI-CHIMOYNISA-N -1 0 307.321 2.160 50 0 DEAARM COc1ccc2c(C)nc(N3CCC(C(=O)[O-])CC3)nc2c1 ZINC000299759844 295255974 /nfs/dbraw/zinc/25/59/74/295255974.db2.gz OAHUHZDXRNBRGB-UHFFFAOYSA-N -1 0 301.346 2.248 50 0 DEAARM Cc1cc(C(=O)N[C@H](C)C(=O)[O-])ccc1NC(=O)CC(C)C ZINC000236623665 301143608 /nfs/dbraw/zinc/14/36/08/301143608.db2.gz BJPISIPPLDIHLH-LLVKDONJSA-N -1 0 306.362 2.183 50 0 DEAARM Cc1cc2c(cc1C)O[C@H](C(=O)N1CCCC[C@H]1C(=O)[O-])C2 ZINC000136487182 301441331 /nfs/dbraw/zinc/44/13/31/301441331.db2.gz LPUPKEBZBSIFSK-ZFWWWQNUSA-N -1 0 303.358 2.073 50 0 DEAARM Cc1nscc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000190731832 302864396 /nfs/dbraw/zinc/86/43/96/302864396.db2.gz RLLJGZHWAKMPBF-ZDUSSCGKSA-N -1 0 302.355 2.103 50 0 DEAARM Cn1ncc(C(=O)[O-])c1C(=O)NC1CCC(C(C)(C)C)CC1 ZINC000020615166 303048236 /nfs/dbraw/zinc/04/82/36/303048236.db2.gz VJXHRRBBXRSOPM-UHFFFAOYSA-N -1 0 307.394 2.453 50 0 DEAARM Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ncccc1[O-] ZINC000127318741 337383000 /nfs/dbraw/zinc/38/30/00/337383000.db2.gz JOWRAJWMJPRUMX-NRFANRHFSA-N -1 0 304.371 2.226 50 0 DEAARM COc1ccccc1CC(=O)N1C[C@H](C(=O)[O-])c2ccccc21 ZINC000177480999 534009680 /nfs/dbraw/zinc/00/96/80/534009680.db2.gz XEHRILCHVXGFOR-AWEZNQCLSA-N -1 0 311.337 2.453 50 0 DEAARM O=C([O-])C[C@@]1(c2cccc(F)c2)CC(=O)N(C2CCCC2)C1=O ZINC000299801512 534504659 /nfs/dbraw/zinc/50/46/59/534504659.db2.gz YYMLVWKPERXYEX-QGZVFWFLSA-N -1 0 319.332 2.240 50 0 DEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2)cc1 ZINC000299745102 534526150 /nfs/dbraw/zinc/52/61/50/534526150.db2.gz WEOTTYQVFYKTDG-INIZCTEOSA-N -1 0 311.337 2.279 50 0 DEAARM Cc1oc(CNC(=O)c2ncoc2[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299742274 534545395 /nfs/dbraw/zinc/54/53/95/534545395.db2.gz AYDGWANDHFEVSM-LLVKDONJSA-N -1 0 320.301 2.056 50 0 DEAARM CC(C)OCC(=O)N=c1nc(-c2cccnc2Cl)[n-]s1 ZINC000585125333 790318390 /nfs/dbraw/zinc/31/83/90/790318390.db2.gz ODGDKBFXOXYDPA-UHFFFAOYSA-N -1 0 312.782 2.039 50 0 DEAARM CC(C)COc1ccc(S(=O)(=O)[N-]c2ccc[n+]([O-])c2)cc1 ZINC000585119267 789705904 /nfs/dbraw/zinc/70/59/04/789705904.db2.gz ZRSRIOJIDAOXCU-UHFFFAOYSA-N -1 0 322.386 2.156 50 0 DEAARM Cc1c(C(=O)NCCc2n[nH]c(=O)[n-]2)oc2c1c(C)ccc2C ZINC000952875953 792791077 /nfs/dbraw/zinc/79/10/77/792791077.db2.gz NMFVRGNIRQPCPU-UHFFFAOYSA-N -1 0 314.345 2.154 50 0 DEAARM CCN(C[C@@H]1CCCCO1)c1nc(SC)ncc1C(=O)[O-] ZINC001529161780 1070893338 /nfs/dbraw/zinc/89/33/38/1070893338.db2.gz PMZQAOIUWXRTNL-JTQLQIEISA-N -1 0 311.407 2.292 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000095507520 185375590 /nfs/dbraw/zinc/37/55/90/185375590.db2.gz UGHYQEXHCRQOKV-LLVKDONJSA-N -1 0 302.305 2.311 50 0 DEAARM CCc1ccsc1C(=O)N(CCC(=O)[O-])C1CCOCC1 ZINC000408513282 529635466 /nfs/dbraw/zinc/63/54/66/529635466.db2.gz LILLREHAPPNKJD-UHFFFAOYSA-N -1 0 311.403 2.406 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)no1 ZINC000097009766 185396804 /nfs/dbraw/zinc/39/68/04/185396804.db2.gz AEEPSEIBGURQGS-CYBMUJFWSA-N -1 0 300.314 2.421 50 0 DEAARM Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])[nH]n1 ZINC000097017813 185397717 /nfs/dbraw/zinc/39/77/17/185397717.db2.gz RUXQGHKVZVVPDR-LLVKDONJSA-N -1 0 301.346 2.081 50 0 DEAARM Cc1cc(C)n(Cc2cccc(NC(=O)[C@H]3C[C@H]3C(=O)[O-])c2)n1 ZINC000097017741 185397846 /nfs/dbraw/zinc/39/78/46/185397846.db2.gz CEOUTQQOCKKZDJ-LSDHHAIUSA-N -1 0 313.357 2.207 50 0 DEAARM CC(C)CC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000064588936 539343786 /nfs/dbraw/zinc/34/37/86/539343786.db2.gz XPUWCFXPYIRLHU-UHFFFAOYSA-N -1 0 306.362 2.206 50 0 DEAARM Cn1c(CNC(=O)c2cccc(C(=O)[O-])c2)nc2ccccc21 ZINC000097022384 185398557 /nfs/dbraw/zinc/39/85/57/185398557.db2.gz VQNMCAFEJGMURE-UHFFFAOYSA-N -1 0 309.325 2.202 50 0 DEAARM O=C(Nc1cc(=O)nc2[n-]c(C(F)(F)F)nn21)c1ccccc1 ZINC000017028003 303998496 /nfs/dbraw/zinc/99/84/96/303998496.db2.gz CEZRXOCHUZWZSI-UHFFFAOYSA-N -1 0 323.234 2.101 50 0 DEAARM O=C(Nc1ccccn1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001306745 304009389 /nfs/dbraw/zinc/00/93/89/304009389.db2.gz ZISYPHAHYJTTIF-UHFFFAOYSA-N -1 0 321.336 2.301 50 0 DEAARM CCCOc1nnc([N-]S(=O)(=O)c2ccc(C)cc2)s1 ZINC000071770631 191030209 /nfs/dbraw/zinc/03/02/09/191030209.db2.gz TURPJVGTHJUIQQ-UHFFFAOYSA-N -1 0 313.404 2.436 50 0 DEAARM CCOC(=O)C(NC(=O)OC(C)(C)C)=C([O-])c1ccccc1 ZINC000072233121 191079234 /nfs/dbraw/zinc/07/92/34/191079234.db2.gz DVPJXQCIYYLQGB-LBPRGKRZSA-N -1 0 307.346 2.326 50 0 DEAARM O=C([O-])c1cccc(CN2CCNC(=O)[C@H]2c2cccs2)c1 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CC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000000285230 401693212 /nfs/dbraw/zinc/69/32/12/401693212.db2.gz CPZBKHKLOBBICZ-UHFFFAOYSA-N -1 0 309.277 2.388 50 0 DEAARM CC(=O)Nc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000000293350 401693337 /nfs/dbraw/zinc/69/33/37/401693337.db2.gz JRMZHAIDBWNOAA-UONOGXRCSA-N -1 0 304.346 2.475 50 0 DEAARM COc1ccc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000282756 401693437 /nfs/dbraw/zinc/69/34/37/401693437.db2.gz SBACHGGZEYMQAB-CABCVRRESA-N -1 0 305.374 2.245 50 0 DEAARM Cc1c(NC(=S)NC(=O)c2ccco2)cccc1C(=O)[O-] ZINC000000311447 401693809 /nfs/dbraw/zinc/69/38/09/401693809.db2.gz FWSZLGXMRSJCOP-UHFFFAOYSA-N -1 0 304.327 2.413 50 0 DEAARM O=C([O-])/C=C/C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000000386783 401696048 /nfs/dbraw/zinc/69/60/48/401696048.db2.gz ZTJUMTNLVPKZIB-ZHACJKMWSA-N -1 0 324.336 2.196 50 0 DEAARM O=C([O-])[C@@H]1CCC(=O)N1Cc1ccsc1Br ZINC000000395955 401696745 /nfs/dbraw/zinc/69/67/45/401696745.db2.gz LUTAUIUJHFZIPL-ZETCQYMHSA-N -1 0 304.165 2.086 50 0 DEAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccn2)c1=O ZINC000001252449 401704582 /nfs/dbraw/zinc/70/45/82/401704582.db2.gz RCCPWMLDNZQQHT-UHFFFAOYSA-N -1 0 324.340 2.159 50 0 DEAARM COc1ccc(C[C@@H](CNC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002505664 401714064 /nfs/dbraw/zinc/71/40/64/401714064.db2.gz RZILVXJBADJFIP-LBPRGKRZSA-N -1 0 309.362 2.463 50 0 DEAARM COc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000013166232 401796948 /nfs/dbraw/zinc/79/69/48/401796948.db2.gz JIIXJILUUQBVBQ-UHFFFAOYSA-N -1 0 315.325 2.332 50 0 DEAARM NC(=O)c1ccsc1NC(=O)C[C@@H](C(=O)[O-])c1ccccc1 ZINC000013255800 401798269 /nfs/dbraw/zinc/79/82/69/401798269.db2.gz RQYOYYQZYHFNEV-LLVKDONJSA-N -1 0 318.354 2.044 50 0 DEAARM CN(Cc1ccccc1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013305473 401798801 /nfs/dbraw/zinc/79/88/01/401798801.db2.gz VRUYPXGIJIFNER-UHFFFAOYSA-N -1 0 311.384 2.267 50 0 DEAARM CCOc1cc(/C=C2\NC(=O)[N-]C2=O)cc(Cl)c1OCC ZINC000013940672 401805269 /nfs/dbraw/zinc/80/52/69/401805269.db2.gz PTFGVBINSSUZFJ-POHAHGRESA-N -1 0 310.737 2.318 50 0 DEAARM O=S(=O)([N-]Cc1cnn2ccccc12)c1c(F)cccc1F ZINC000075162957 401753195 /nfs/dbraw/zinc/75/31/95/401753195.db2.gz VVZCHXFEEOBHDF-UHFFFAOYSA-N -1 0 323.324 2.091 50 0 DEAARM Cc1cc2nc(Nc3nc([O-])c(C)c(=O)[nH]3)nc(C)c2cc1C ZINC000008694830 401755363 /nfs/dbraw/zinc/75/53/63/401755363.db2.gz XUECTMSYACJXGI-UHFFFAOYSA-N -1 0 311.345 2.396 50 0 DEAARM O=C([O-])[C@H](CO)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000013056330 401795764 /nfs/dbraw/zinc/79/57/64/401795764.db2.gz TUTDJJOPMGCNMC-AWEZNQCLSA-N -1 0 309.325 2.154 50 0 biogenic DEAARM COc1ccc(C(=O)[O-])c(OCC(=O)N[C@H]2CCCC[C@@H]2C)c1 ZINC000013084272 401796026 /nfs/dbraw/zinc/79/60/26/401796026.db2.gz BGMOYRKTMXRTJN-FZMZJTMJSA-N -1 0 321.373 2.467 50 0 DEAARM CC[C@H](C)NC(=O)CCc1nnc(-c2ccccc2)[n-]c1=O ZINC000034767622 401893743 /nfs/dbraw/zinc/89/37/43/401893743.db2.gz YMIHIYIFQGUDDW-NSHDSACASA-N -1 0 300.362 2.092 50 0 DEAARM Cc1ccc(-c2nc(CCNC(=O)C3(C(=O)[O-])CC3)co2)cc1 ZINC000118956776 401914834 /nfs/dbraw/zinc/91/48/34/401914834.db2.gz YAPVKWKGBJHPEN-UHFFFAOYSA-N -1 0 314.341 2.174 50 0 DEAARM O=C([O-])C1(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)CC1 ZINC000119007240 401918418 /nfs/dbraw/zinc/91/84/18/401918418.db2.gz AHIBOFQNEYRLNH-OAHLLOKOSA-N -1 0 317.385 2.102 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3cccc(Cl)c3)CC2)CCO1 ZINC000089774575 401962355 /nfs/dbraw/zinc/96/23/55/401962355.db2.gz OHGOJAORVFKTQT-CYBMUJFWSA-N -1 0 323.776 2.074 50 0 DEAARM O=C1C[C@H](c2nc(=O)c3sccc3[n-]2)CN1CC1CCC1 ZINC000089885397 401970420 /nfs/dbraw/zinc/97/04/20/401970420.db2.gz JWVZVGWDVQEZPJ-JTQLQIEISA-N -1 0 303.387 2.101 50 0 DEAARM CC[C@@H](C)n1cnc(S(=O)(=O)[N-]c2cc(CO)ccc2C)c1 ZINC000089942794 401976249 /nfs/dbraw/zinc/97/62/49/401976249.db2.gz ODTITJLZEJECFL-GFCCVEGCSA-N -1 0 323.418 2.456 50 0 DEAARM CCCCOc1cc(F)ccc1[C@@H](C(=O)[O-])N1CCOCC1 ZINC000095371886 402028961 /nfs/dbraw/zinc/02/89/61/402028961.db2.gz NDXUHWXRHUFIAM-HNNXBMFYSA-N -1 0 311.353 2.463 50 0 DEAARM C[C@@H](CC(=O)[O-])NC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000095970356 402038665 /nfs/dbraw/zinc/03/86/65/402038665.db2.gz SBKQUGOBNHVMCO-QMMMGPOBSA-N -1 0 307.737 2.323 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1ccc(OC[C@H]2CCCO2)cc1 ZINC000095970013 402038669 /nfs/dbraw/zinc/03/86/69/402038669.db2.gz LDOFAXRQVPZSAA-OAHLLOKOSA-N -1 0 321.373 2.181 50 0 DEAARM CCC[C@H](C)C(=O)NC[C@H](Cc1ccccc1OC)C(=O)[O-] ZINC000095989879 402043262 /nfs/dbraw/zinc/04/32/62/402043262.db2.gz GWOIQKWVDRODJS-JSGCOSHPSA-N -1 0 307.390 2.491 50 0 DEAARM CCc1nc(CC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cs1 ZINC000095992026 402043671 /nfs/dbraw/zinc/04/36/71/402043671.db2.gz UEXLUPISAJPHNU-NSHDSACASA-N -1 0 310.419 2.351 50 0 DEAARM CCCNc1cccc(F)c1[N-]S(=O)(=O)c1cn(C)cn1 ZINC000096496699 402096734 /nfs/dbraw/zinc/09/67/34/402096734.db2.gz ZTBSHQJKGLVEJI-UHFFFAOYSA-N -1 0 312.370 2.182 50 0 DEAARM Cc1ncsc1C(=O)N[C@H](C(=O)[O-])c1ccc(F)c(F)c1 ZINC000097036666 402101188 /nfs/dbraw/zinc/10/11/88/402101188.db2.gz DINBEMXKHWPBCZ-JTQLQIEISA-N -1 0 312.297 2.285 50 0 DEAARM CCc1nn(C)cc1CNC(=O)c1cc(F)c(F)c([O-])c1F ZINC000097113129 402108780 /nfs/dbraw/zinc/10/87/80/402108780.db2.gz RUOUKTFYHNKBJS-UHFFFAOYSA-N -1 0 313.279 2.035 50 0 DEAARM CCCn1cc(CN(C)Cc2nc(=O)c3sccc3[n-]2)cn1 ZINC000097162310 402112529 /nfs/dbraw/zinc/11/25/29/402112529.db2.gz HFTGMHWARQPNTF-UHFFFAOYSA-N -1 0 317.418 2.223 50 0 DEAARM CCc1nnc2ccc(S(=O)(=O)[N-]c3ccccc3)cn21 ZINC000067172409 402153338 /nfs/dbraw/zinc/15/33/38/402153338.db2.gz TXUYPEZZFHNKSY-UHFFFAOYSA-N -1 0 302.359 2.093 50 0 DEAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000069814047 402245137 /nfs/dbraw/zinc/24/51/37/402245137.db2.gz GAWYAVVKHFOUSA-ZANVPECISA-N -1 0 315.728 2.100 50 0 DEAARM O=S(=O)([N-]C[C@@H](O)C1CCCCC1)c1c(F)cccc1F ZINC000070636731 402262592 /nfs/dbraw/zinc/26/25/92/402262592.db2.gz IUTHSCROTRBLST-CYBMUJFWSA-N -1 0 319.373 2.184 50 0 DEAARM O=C([O-])CC1(NC(=O)Cc2nc3ccccc3[nH]2)CCCCC1 ZINC000218097002 402295074 /nfs/dbraw/zinc/29/50/74/402295074.db2.gz UPLUFHJPEAWUPZ-UHFFFAOYSA-N -1 0 315.373 2.399 50 0 DEAARM CCCCc1ccc(C(=O)N2CCOC[C@@H]2CC(=O)[O-])cc1 ZINC000219925566 402300362 /nfs/dbraw/zinc/30/03/62/402300362.db2.gz GNVXQKVURDJTDC-HNNXBMFYSA-N -1 0 305.374 2.345 50 0 DEAARM C[C@@H](CN(C(=O)c1ccn(-c2ccccc2)n1)C1CC1)C(=O)[O-] ZINC000225484988 402319045 /nfs/dbraw/zinc/31/90/45/402319045.db2.gz XPNZHDMDJLVSCA-LBPRGKRZSA-N -1 0 313.357 2.198 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)CCc2cscn2)c1 ZINC000225553195 402320871 /nfs/dbraw/zinc/32/08/71/402320871.db2.gz SGFIEFFCRMGKMT-UHFFFAOYSA-N -1 0 304.371 2.133 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cnc(-c3cccs3)s2)C1 ZINC000238103114 402437766 /nfs/dbraw/zinc/43/77/66/402437766.db2.gz VFSOBEDITOALBY-QMMMGPOBSA-N -1 0 308.384 2.418 50 0 DEAARM O=C(NCCC(F)(F)F)c1nn(-c2cccc(F)c2)cc1[O-] ZINC000241515698 402443606 /nfs/dbraw/zinc/44/36/06/402443606.db2.gz OHEFZHLZAUBCLI-UHFFFAOYSA-N -1 0 317.242 2.399 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000178261999 402476975 /nfs/dbraw/zinc/47/69/75/402476975.db2.gz RBYDIKBOLSNPAT-ZDUSSCGKSA-N -1 0 312.325 2.421 50 0 DEAARM O=C([O-])CN1C(=O)[C@@H](Oc2ccc(F)cc2)C12CCCCC2 ZINC000169676550 402501624 /nfs/dbraw/zinc/50/16/24/402501624.db2.gz HKFMHUQDERDIKI-CQSZACIVSA-N -1 0 307.321 2.203 50 0 DEAARM CCOc1ncc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1Cl ZINC000190479799 402604555 /nfs/dbraw/zinc/60/45/55/402604555.db2.gz JCKBWQCHGMWODS-VIFPVBQESA-N -1 0 312.753 2.071 50 0 DEAARM CCCOc1ccc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1OC ZINC000252513378 402658033 /nfs/dbraw/zinc/65/80/33/402658033.db2.gz ZICQKLDXHXTLMS-CYZMBNFOSA-N -1 0 321.373 2.382 50 0 DEAARM C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)[O-] ZINC000261637968 402714940 /nfs/dbraw/zinc/71/49/40/402714940.db2.gz DPPMAGNINDKTAE-GVARAGBVSA-N -1 0 321.348 2.305 50 0 DEAARM O=C([O-])COc1ccccc1CN=Nc1cncc(Cl)n1 ZINC000254625326 402671497 /nfs/dbraw/zinc/67/14/97/402671497.db2.gz UAQNJHAIFDCGIV-UHFFFAOYSA-N -1 0 306.709 2.039 50 0 DEAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(C(C)C)oc2C)C1 ZINC000263065825 402742707 /nfs/dbraw/zinc/74/27/07/402742707.db2.gz QXPOQIOKXDONTI-INIZCTEOSA-N -1 0 309.362 2.275 50 0 DEAARM CCC[C@H](NC(=O)c1cc(C)n(-c2cc(C)on2)c1C)C(=O)[O-] ZINC000195551833 402850868 /nfs/dbraw/zinc/85/08/68/402850868.db2.gz OLOLZXHLOHTCIN-ZDUSSCGKSA-N -1 0 319.361 2.374 50 0 DEAARM CC(C)N(C(=O)CN1CCC[C@@]1(C)C(=O)[O-])c1ccccc1 ZINC000316174489 404024300 /nfs/dbraw/zinc/02/43/00/404024300.db2.gz JOVOJWUILOQZRS-KRWDZBQOSA-N -1 0 304.390 2.367 50 0 DEAARM Cc1cc2nc(CCC(=O)NCCCC(=O)[O-])[nH]c2cc1C ZINC000426661967 405373025 /nfs/dbraw/zinc/37/30/25/405373025.db2.gz GGVUJEUAXVEYTQ-UHFFFAOYSA-N -1 0 303.362 2.093 50 0 DEAARM C[S@](=O)c1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000299745694 229385927 /nfs/dbraw/zinc/38/59/27/229385927.db2.gz RVZOWWUSIUKGNT-DMZKTXOQSA-N -1 0 323.414 2.284 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000102819704 424848017 /nfs/dbraw/zinc/84/80/17/424848017.db2.gz FWMIWDYLUUNGJN-ZIAGYGMSSA-N -1 0 310.288 2.324 50 0 DEAARM CCCc1cc(C(=O)N[C@@H]2C[C@H](C(=O)[O-])c3ccccc32)[nH]n1 ZINC000653333420 425463835 /nfs/dbraw/zinc/46/38/35/425463835.db2.gz OTGJSISJWLXLTB-UONOGXRCSA-N -1 0 313.357 2.405 50 0 DEAARM CC(=O)c1csc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])c1 ZINC000263016470 278253509 /nfs/dbraw/zinc/25/35/09/278253509.db2.gz PXOSPVZFRGSSCT-UFGOTCBOSA-N -1 0 307.371 2.276 50 0 DEAARM CC(C)C[C@@H](NC(=O)c1ccccc1C(=O)[O-])c1ncnn1C ZINC000426643064 279000595 /nfs/dbraw/zinc/00/05/95/279000595.db2.gz VRZBXEFHFLWPJI-CYBMUJFWSA-N -1 0 316.361 2.031 50 0 DEAARM COc1cc2ccccc2cc1C([O-])=C1CCCN(C=O)C1=O ZINC000006658270 295044094 /nfs/dbraw/zinc/04/40/94/295044094.db2.gz JLBFJNSXFUBNTG-AWEZNQCLSA-N -1 0 311.337 2.426 50 0 DEAARM COc1cccc(C(=O)[O-])c1OS(=O)(=O)c1ccccc1 ZINC000001560153 295289038 /nfs/dbraw/zinc/28/90/38/295289038.db2.gz OCZHJNBVCJVGSW-UHFFFAOYSA-N -1 0 308.311 2.161 50 0 DEAARM C[C@@]1(C(=O)[O-])Oc2ccccc2N(CCc2ccccc2)C1=O ZINC000096517663 297884129 /nfs/dbraw/zinc/88/41/29/297884129.db2.gz XDQAXJAKBSPICE-GOSISDBHSA-N -1 0 311.337 2.498 50 0 DEAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)N2CCC(C)CC2)c1C ZINC000004206507 301154121 /nfs/dbraw/zinc/15/41/21/301154121.db2.gz LETYSSRRWOHJQM-UHFFFAOYSA-N -1 0 311.403 2.422 50 0 DEAARM Cc1ccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)nc1 ZINC000100504420 301644791 /nfs/dbraw/zinc/64/47/91/301644791.db2.gz LQYJKVQFYZSSPM-UHFFFAOYSA-N -1 0 309.325 2.200 50 0 DEAARM Cc1cnn(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)c1 ZINC000136502401 302387718 /nfs/dbraw/zinc/38/77/18/302387718.db2.gz JFZYOYVOCLASRT-OAHLLOKOSA-N -1 0 313.357 2.260 50 0 DEAARM Cc1nc(C)c(C(=O)N2CCCC[C@H]2CCC(=O)[O-])nc1C ZINC000263462239 302568258 /nfs/dbraw/zinc/56/82/58/302568258.db2.gz VWMDPYBRCLDTPT-ZDUSSCGKSA-N -1 0 305.378 2.261 50 0 DEAARM CCn1ccnc1CN(C)[C@H](C(=O)[O-])c1cccc(OC)c1 ZINC000095376038 332169408 /nfs/dbraw/zinc/16/94/08/332169408.db2.gz 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CO[C@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262534444 145291352 /nfs/dbraw/zinc/29/13/52/145291352.db2.gz TWQRJANJQWWVGD-SNVBAGLBSA-N -1 0 303.314 2.277 50 0 DEAARM C[C@@H]1CN(C(=O)CCc2ncc(C(C)(C)C)o2)C[C@H]1C(=O)[O-] ZINC000263116921 145326743 /nfs/dbraw/zinc/32/67/43/145326743.db2.gz DXPJBFOLXXLHEN-GHMZBOCLSA-N -1 0 308.378 2.084 50 0 DEAARM CC[C@@H]1C[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000263131682 145328564 /nfs/dbraw/zinc/32/85/64/145328564.db2.gz CYWNRJWPHPKKLD-ZIAGYGMSSA-N -1 0 306.362 2.142 50 0 DEAARM Cc1cc2c(cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-])OCO2 ZINC000006668243 401732278 /nfs/dbraw/zinc/73/22/78/401732278.db2.gz JZOMYLSRHYPZRD-MNOVXSKESA-N -1 0 303.314 2.329 50 0 DEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000007708995 401743116 /nfs/dbraw/zinc/74/31/16/401743116.db2.gz YWIJFORKXUPHBL-UHFFFAOYSA-N -1 0 315.347 2.475 50 0 DEAARM CCc1ccnc([N-]S(=O)(=O)c2ccc(NC(C)=O)cc2)c1 ZINC000000151867 401688542 /nfs/dbraw/zinc/68/85/42/401688542.db2.gz 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Cc1cc(Nc2ccccc2C(=O)[O-])nc(N2CCOCC2)n1 ZINC000008702983 401754990 /nfs/dbraw/zinc/75/49/90/401754990.db2.gz XDHVAAXRDPUYIN-UHFFFAOYSA-N -1 0 314.345 2.063 50 0 DEAARM O=C([O-])CCNC(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000009576929 401764036 /nfs/dbraw/zinc/76/40/36/401764036.db2.gz QPLMKNYEQJQHMH-UHFFFAOYSA-N -1 0 317.345 2.192 50 0 DEAARM CC[S@@](=O)[C@@H]1CCCC[C@@H]1NC(=O)c1c(O)cccc1F ZINC000128778983 401791362 /nfs/dbraw/zinc/79/13/62/401791362.db2.gz CBZKUDZWUPBUBK-SMSPXONGSA-N -1 0 313.394 2.341 50 0 DEAARM CC[C@H](C)OC(=O)c1[nH]c2c(c1C)C([O-])=C(C(=O)OC)[C@H](C)C2 ZINC000012868063 401792753 /nfs/dbraw/zinc/79/27/53/401792753.db2.gz IOZDSNZITSUTKA-VDDIYKPWSA-N -1 0 321.373 2.443 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)COc2cccc(F)c2)cc1 ZINC000013092015 401796686 /nfs/dbraw/zinc/79/66/86/401796686.db2.gz PUAWOQQLOAYSDI-UHFFFAOYSA-N -1 0 303.289 2.219 50 0 DEAARM CC1=C(C)C[C@H](C(=O)Nc2sccc2C(N)=O)[C@H](C(=O)[O-])C1 ZINC000017056035 401820234 /nfs/dbraw/zinc/82/02/34/401820234.db2.gz 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O=C1CCc2cc(S(=O)(=O)[N-]c3ccccc3O)ccc2O1 ZINC000004970385 181181380 /nfs/dbraw/zinc/18/13/80/181181380.db2.gz GMQVMXFOBNKKKW-UHFFFAOYSA-N -1 0 319.338 2.045 50 0 DEAARM CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000004998630 181188094 /nfs/dbraw/zinc/18/80/94/181188094.db2.gz WAFMUVNVNUVMTP-UHFFFAOYSA-N -1 0 310.400 2.299 50 0 DEAARM CCN(CC)S(=O)(=O)c1cccc2cc(C(=O)[O-])c(O)cc21 ZINC000005043683 181196461 /nfs/dbraw/zinc/19/64/61/181196461.db2.gz DJLPAJSKAPXAHV-UHFFFAOYSA-N -1 0 323.370 2.274 50 0 DEAARM Cc1cc(=O)c(COC(=O)COc2ccc3ccccc3c2)n[n-]1 ZINC000170609327 355988756 /nfs/dbraw/zinc/98/87/56/355988756.db2.gz UOODIEGDVFMOOR-UHFFFAOYSA-N -1 0 324.336 2.354 50 0 DEAARM CCN(c1ccccc1)S(=O)(=O)[N-]C(=O)CCC(F)(F)F ZINC000195580307 356259399 /nfs/dbraw/zinc/25/93/99/356259399.db2.gz LYTNNCGNNHCQER-UHFFFAOYSA-N -1 0 324.324 2.216 50 0 DEAARM COc1cc(F)ccc1[N-]S(=O)(=O)C[C@@H](OC)C(C)C ZINC000585089155 540255741 /nfs/dbraw/zinc/25/57/41/540255741.db2.gz NMDPZEHQTDTEMB-CYBMUJFWSA-N -1 0 305.371 2.247 50 0 DEAARM CO[C@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000237166335 202173239 /nfs/dbraw/zinc/17/32/39/202173239.db2.gz MHJZCKCQNDZTOK-CJNGLKHVSA-N -1 0 305.374 2.478 50 0 DEAARM COc1ccc2[nH]cc(CC(=O)N3CC[C@](C)(C(=O)[O-])C3)c2c1 ZINC000237261411 202210134 /nfs/dbraw/zinc/21/01/34/202210134.db2.gz VGWPJZGHYUYDJJ-KRWDZBQOSA-N -1 0 316.357 2.042 50 0 DEAARM O=C([O-])c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 ZINC000005900841 181294306 /nfs/dbraw/zinc/29/43/06/181294306.db2.gz MCLYUBBOZKFRFQ-ZDUSSCGKSA-N -1 0 324.336 2.376 50 0 DEAARM CCC[C@@H](NC(=O)c1cc(Br)cs1)C(=O)[O-] ZINC000180190927 199129087 /nfs/dbraw/zinc/12/90/87/199129087.db2.gz LWCQOBUZHUTKKG-SSDOTTSWSA-N -1 0 306.181 2.494 50 0 DEAARM C[C@@H](OCC(F)(F)F)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237398213 202255276 /nfs/dbraw/zinc/25/52/76/202255276.db2.gz HAYNCEGTOMYULR-NXEZZACHSA-N -1 0 311.300 2.057 50 0 DEAARM O=C([O-])C[C@@H]1Sc2nncn2N=C1c1ccc(Cl)cc1 ZINC000008391833 304080914 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Cc1cccc(C2(C(=O)N3CCO[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000237925196 202392504 /nfs/dbraw/zinc/39/25/04/202392504.db2.gz HDNBNLOBFHZMES-HNNXBMFYSA-N -1 0 317.385 2.119 50 0 DEAARM Cc1cc(C(=O)N[C@@]2(C(=O)[O-])CCSC2)c2ccccc2n1 ZINC000271897053 209304937 /nfs/dbraw/zinc/30/49/37/209304937.db2.gz ULWFTZRVFMGHER-INIZCTEOSA-N -1 0 316.382 2.233 50 0 DEAARM COC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000006453257 181342202 /nfs/dbraw/zinc/34/22/02/181342202.db2.gz OSLGJLAFIYFZSJ-IUCAKERBSA-N -1 0 311.359 2.364 50 0 DEAARM COc1ccccc1[C@@H]1CN(C(=O)CCSC)C[C@H]1C(=O)[O-] ZINC000091416664 193053582 /nfs/dbraw/zinc/05/35/82/193053582.db2.gz DFMVOOHHVLFHPK-QWHCGFSZSA-N -1 0 323.414 2.075 50 0 DEAARM CC(C)=CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cn(C)nc2C)C1 ZINC000091635753 193082451 /nfs/dbraw/zinc/08/24/51/193082451.db2.gz LDANZHWMRHGYHL-KRWDZBQOSA-N -1 0 319.405 2.392 50 0 DEAARM C[C@@H](CC(=O)[O-])N1CCN(C(=O)c2ccsc2Cl)CC1 ZINC000630219795 367543274 /nfs/dbraw/zinc/54/32/74/367543274.db2.gz JWWZYIMYIBMCCD-VIFPVBQESA-N -1 0 316.810 2.023 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000630285327 367572495 /nfs/dbraw/zinc/57/24/95/367572495.db2.gz ZPMFHFYEWUWMBA-NHIYQJMISA-N -1 0 315.369 2.092 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccnc(C2CC2)n1 ZINC000299748082 304147755 /nfs/dbraw/zinc/14/77/55/304147755.db2.gz FXTKVFVXGFIRAA-XBFCOCLRSA-N -1 0 315.373 2.212 50 0 DEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)C[C@H]1CCCCO1 ZINC000262050764 203184960 /nfs/dbraw/zinc/18/49/60/203184960.db2.gz CUQUPLVVZUWUDL-CZUORRHYSA-N -1 0 303.358 2.156 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2cccc3[nH]cnc32)cc1 ZINC000096452980 193654005 /nfs/dbraw/zinc/65/40/05/193654005.db2.gz YIXGTNBOFKZSEJ-UHFFFAOYSA-N -1 0 303.343 2.372 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1 ZINC000012896290 181808677 /nfs/dbraw/zinc/80/86/77/181808677.db2.gz KOKBEXZEABMYFP-UHFFFAOYSA-N -1 0 323.395 2.193 50 0 DEAARM COc1ccc(-c2n[n-]c(NCCc3ccccc3)nc2=O)cc1 ZINC000016048502 182030909 /nfs/dbraw/zinc/03/09/09/182030909.db2.gz TYLQVMVUIOIKFW-UHFFFAOYSA-N -1 0 322.368 2.495 50 0 DEAARM O=c1[n-]c(N2CCc3ccccc3C2)nnc1-c1ccccc1 ZINC000016675917 182057218 /nfs/dbraw/zinc/05/72/18/182057218.db2.gz GUDDOYAVMBTRSU-UHFFFAOYSA-N -1 0 304.353 2.395 50 0 DEAARM C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000017054188 182071968 /nfs/dbraw/zinc/07/19/68/182071968.db2.gz KRGANEBWHQKIFL-DRZSPHRISA-N -1 0 317.341 2.260 50 0 DEAARM CC[C@H](C)[C@@H](NC(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000020480854 182222335 /nfs/dbraw/zinc/22/23/35/182222335.db2.gz OQVNJVSIPVUOLL-OIBJUYFYSA-N -1 0 315.167 2.073 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1n[nH]c2ccccc21 ZINC000238041149 304207420 /nfs/dbraw/zinc/20/74/20/304207420.db2.gz WWDTYORXZJOTRW-OAHLLOKOSA-N -1 0 321.336 2.215 50 0 DEAARM CCN(C[C@H]1CCCO1)C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000493208767 249249496 /nfs/dbraw/zinc/24/94/96/249249496.db2.gz QNQHZZFBEWINSJ-YYRKOSNBSA-N -1 0 303.358 2.426 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)CCO1 ZINC000043701594 183382165 /nfs/dbraw/zinc/38/21/65/183382165.db2.gz HJABPKRFDPVPAT-JTQLQIEISA-N -1 0 322.119 2.058 50 0 DEAARM CCCSc1ncc(Cl)c(C(=O)NCCCC(=O)[O-])n1 ZINC000046086220 183549415 /nfs/dbraw/zinc/54/94/15/183549415.db2.gz IFHCWHRAEGMMJX-UHFFFAOYSA-N -1 0 317.798 2.227 50 0 DEAARM C[C@@H]1CCCCN1C1CN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000097475415 296310318 /nfs/dbraw/zinc/31/03/18/296310318.db2.gz RBPLCPXXXZOKDK-SNVBAGLBSA-N -1 0 308.403 2.145 50 0 DEAARM CCc1ccc(NC(=O)[C@@H](Cc2ccncc2)c2nnn[n-]2)cc1 ZINC000057523587 184040890 /nfs/dbraw/zinc/04/08/90/184040890.db2.gz LDLYVWOAANETME-HNNXBMFYSA-N -1 0 322.372 2.122 50 0 DEAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)c1 ZINC000058370364 184109749 /nfs/dbraw/zinc/10/97/49/184109749.db2.gz YACPODSRUPKBMM-UHFFFAOYSA-N -1 0 321.280 2.120 50 0 DEAARM CC(C)C(=O)N[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000058332376 184106682 /nfs/dbraw/zinc/10/66/82/184106682.db2.gz ARFJAJOBDMCIGZ-GFCCVEGCSA-N -1 0 324.808 2.422 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cnc(-c3ccco3)s2)C1 ZINC000269046335 207196507 /nfs/dbraw/zinc/19/65/07/207196507.db2.gz SSWIRVKLTKVNST-AWEZNQCLSA-N -1 0 306.343 2.340 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(OC)c1 ZINC000269051001 207201090 /nfs/dbraw/zinc/20/10/90/207201090.db2.gz VLUCUEDNRPFQIY-QQOXCAACSA-N -1 0 319.357 2.040 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2cccc(Br)c2)C1 ZINC000062912882 184259483 /nfs/dbraw/zinc/25/94/83/184259483.db2.gz OTDCKNCVNBPRCN-CYBMUJFWSA-N -1 0 312.163 2.386 50 0 DEAARM COCc1c(C(=O)[O-])nnn1-c1ccc(C(F)(F)F)cc1 ZINC000065288250 184322655 /nfs/dbraw/zinc/32/26/55/184322655.db2.gz XGHUDCPCADPUCA-UHFFFAOYSA-N -1 0 301.224 2.131 50 0 DEAARM CC(C)(CCC(=O)[O-])NC(=O)c1ccc2c(c1)OCCCO2 ZINC000269186407 207306774 /nfs/dbraw/zinc/30/67/74/207306774.db2.gz MNFWTZLCBUAFPK-UHFFFAOYSA-N -1 0 307.346 2.221 50 0 DEAARM Cn1nc(C2CCC2)cc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000158226474 197254703 /nfs/dbraw/zinc/25/47/03/197254703.db2.gz OIFMQCNCOIMFNF-UHFFFAOYSA-N -1 0 323.356 2.176 50 0 DEAARM O=C([O-])c1cn(-c2ccc(Br)cc2Cl)nn1 ZINC000037392463 304273799 /nfs/dbraw/zinc/27/37/99/304273799.db2.gz NTHKMFBVJIGCKX-UHFFFAOYSA-N -1 0 302.515 2.381 50 0 DEAARM Cc1cccc(-c2ccc(CNC(=O)c3n[nH]c(=O)[n-]3)cc2)c1 ZINC000071915902 184904483 /nfs/dbraw/zinc/90/44/83/184904483.db2.gz AEZGDZOSOINKOR-UHFFFAOYSA-N -1 0 308.341 2.003 50 0 DEAARM O=C([O-])c1csc(CNC(=O)c2csc(C3CC3)n2)n1 ZINC000124132785 195607161 /nfs/dbraw/zinc/60/71/61/195607161.db2.gz KNNSKIPYUMTPCQ-UHFFFAOYSA-N -1 0 309.372 2.105 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000434431 292013857 /nfs/dbraw/zinc/01/38/57/292013857.db2.gz GIYQEAMTVKFESX-QWHCGFSZSA-N -1 0 303.314 2.079 50 0 DEAARM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C[C@@H]2C(=O)[O-])CC1 ZINC000002562103 134450393 /nfs/dbraw/zinc/45/03/93/134450393.db2.gz VCKBZBBAHJLSJZ-STQMWFEESA-N -1 0 322.792 2.018 50 0 DEAARM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccc(Cl)cc2)nn1C ZINC000262601108 145296117 /nfs/dbraw/zinc/29/61/17/145296117.db2.gz JWXNGTSBIQMVEW-UHFFFAOYSA-N -1 0 321.764 2.109 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1ccc2ccccc2c1)[C@H]1CCCOC1 ZINC000262720693 145301555 /nfs/dbraw/zinc/30/15/55/145301555.db2.gz DULCPBRDXMVVCH-HOTGVXAUSA-N -1 0 313.353 2.449 50 0 DEAARM CC(C)Oc1cccc(C(=O)NCc2ccc(C(=O)[O-])o2)n1 ZINC000262746596 145302863 /nfs/dbraw/zinc/30/28/63/145302863.db2.gz HVQUWGDNLQGWRI-UHFFFAOYSA-N -1 0 304.302 2.090 50 0 DEAARM O=C([N-]C1(C(F)(F)F)Oc2ccccc2O1)C(F)(F)F ZINC000000045406 401687495 /nfs/dbraw/zinc/68/74/95/401687495.db2.gz DZNLBJDPIJEYBA-UHFFFAOYSA-N -1 0 301.142 2.352 50 0 DEAARM O=C([O-])c1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1 ZINC000000098495 401687996 /nfs/dbraw/zinc/68/79/96/401687996.db2.gz GCLQRRKSNUDMPL-ZDUSSCGKSA-N -1 0 312.325 2.174 50 0 DEAARM COc1ccccc1OCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000000116371 401688260 /nfs/dbraw/zinc/68/82/60/401688260.db2.gz VDRCYWMUKDHZJI-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCC(=O)[O-])CC2 ZINC000000152635 401688628 /nfs/dbraw/zinc/68/86/28/401688628.db2.gz HBUAYNBDEBEVJW-JTQLQIEISA-N -1 0 307.346 2.014 50 0 biogenic DEAARM CC(C)(CC(=O)[O-])CC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000000152517 401688765 /nfs/dbraw/zinc/68/87/65/401688765.db2.gz LJVCZNBYUZLVRT-UHFFFAOYSA-N -1 0 322.380 2.365 50 0 DEAARM CCCc1nc2c(nc([O-])n(C)c2=O)n1CCc1ccccc1 ZINC000000236870 401691780 /nfs/dbraw/zinc/69/17/80/401691780.db2.gz IOAYQPDXMFCMDC-UHFFFAOYSA-N -1 0 312.373 2.031 50 0 biogenic DEAARM COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000355474 401694852 /nfs/dbraw/zinc/69/48/52/401694852.db2.gz CWEWJVAOJXHPCU-NXEZZACHSA-N -1 0 323.370 2.449 50 0 DEAARM CCCc1cc(C)nc([N-]S(=O)(=O)c2ccc(N)cc2)n1 ZINC000000390787 401696316 /nfs/dbraw/zinc/69/63/16/401696316.db2.gz KUQMCYZWABMEDG-UHFFFAOYSA-N -1 0 306.391 2.121 50 0 DEAARM CCCc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000000815544 401702794 /nfs/dbraw/zinc/70/27/94/401702794.db2.gz KDYCRIOSNVOIAC-UHFFFAOYSA-N -1 0 313.404 2.300 50 0 DEAARM O=C([O-])CNC(=O)COc1cc(Cl)c(Cl)cc1Cl ZINC000001648594 401709307 /nfs/dbraw/zinc/70/93/07/401709307.db2.gz JVOHBTDEDUEVIX-UHFFFAOYSA-N -1 0 312.536 2.226 50 0 DEAARM CN1Cc2cc(C(=O)c3cc(F)ccc3[O-])cnc2NC1=O ZINC000002616091 401715332 /nfs/dbraw/zinc/71/53/32/401715332.db2.gz KFHLQTPYGINTSX-UHFFFAOYSA-N -1 0 301.277 2.135 50 0 DEAARM Cc1ccc(C)c(OCCC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000013167136 401797834 /nfs/dbraw/zinc/79/78/34/401797834.db2.gz MIORXSFSJMVLND-UHFFFAOYSA-N -1 0 305.374 2.396 50 0 DEAARM CCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccc(Cl)cc1 ZINC000013343138 401798950 /nfs/dbraw/zinc/79/89/50/401798950.db2.gz WZNUURACNYXKKD-NSHDSACASA-N -1 0 305.783 2.185 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)NC1CCCCC1 ZINC000013419617 401799430 /nfs/dbraw/zinc/79/94/30/401799430.db2.gz GVXJWERTQVMUTP-UHFFFAOYSA-N -1 0 307.346 2.221 50 0 DEAARM O=C([O-])c1ccccc1NC1=NC(=Cc2ccccc2)C(=O)N1 ZINC000008575635 401754050 /nfs/dbraw/zinc/75/40/50/401754050.db2.gz BYEQEQPZPNNGHR-GXDHUFHOSA-N -1 0 307.309 2.133 50 0 DEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000008718437 401755679 /nfs/dbraw/zinc/75/56/79/401755679.db2.gz HVHOCMHYLVBZQT-UHFFFAOYSA-N -1 0 305.403 2.326 50 0 DEAARM O=c1nc(NCCc2ccccc2)[n-]nc1Cc1ccccc1 ZINC000008914135 401757786 /nfs/dbraw/zinc/75/77/86/401757786.db2.gz SHDVQPHJJWQSRU-UHFFFAOYSA-N -1 0 306.369 2.410 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)s1 ZINC000009572790 401764299 /nfs/dbraw/zinc/76/42/99/401764299.db2.gz OZHMFWSJVZAUHJ-UHFFFAOYSA-N -1 0 308.384 2.352 50 0 DEAARM CC(C)(C)c1ccc(NC(=O)CSc2nncc(=O)[n-]2)cc1 ZINC000011990562 401778294 /nfs/dbraw/zinc/77/82/94/401778294.db2.gz WFLQYUBVSMUCJD-UHFFFAOYSA-N -1 0 318.402 2.193 50 0 DEAARM COC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C ZINC000012850885 401792821 /nfs/dbraw/zinc/79/28/21/401792821.db2.gz YYQBHCDPOPVSIZ-QWHCGFSZSA-N -1 0 317.341 2.387 50 0 DEAARM COC[C@@H](C)NC(=O)COc1cc2ccccc2cc1C(=O)[O-] ZINC000013034878 401795990 /nfs/dbraw/zinc/79/59/90/401795990.db2.gz KFZLZXHIMXWBAE-LLVKDONJSA-N -1 0 317.341 2.068 50 0 DEAARM COc1ccc(NC(=O)Cc2c([O-])c3ccccc3[nH]c2=O)cc1 ZINC000018116190 401821498 /nfs/dbraw/zinc/82/14/98/401821498.db2.gz PWXBFIKCATUTKC-UHFFFAOYSA-N -1 0 324.336 2.424 50 0 DEAARM Cc1nn(C)c([N-]S(=O)(=O)c2cccc(F)c2F)c1C ZINC000078612486 401858429 /nfs/dbraw/zinc/85/84/29/401858429.db2.gz ZYPOFYAVKDGXCO-UHFFFAOYSA-N -1 0 301.318 2.116 50 0 DEAARM CCNC(=O)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000030521821 401864187 /nfs/dbraw/zinc/86/41/87/401864187.db2.gz QZOSONJNWHUIPA-UHFFFAOYSA-N -1 0 318.373 2.410 50 0 DEAARM CCCN(CCC)c1ccc(C(=O)[O-])cc1NS(C)(=O)=O ZINC000033253923 401889689 /nfs/dbraw/zinc/88/96/89/401889689.db2.gz URFSVUYAWYXKHI-UHFFFAOYSA-N -1 0 314.407 2.383 50 0 DEAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(C(=O)[O-])cc21 ZINC000036360826 401904743 /nfs/dbraw/zinc/90/47/43/401904743.db2.gz LIHHBYFHMHMLQH-CQSZACIVSA-N -1 0 302.330 2.098 50 0 DEAARM O=C([O-])c1cccc(NS(=O)(=O)Cc2ccc(F)cc2)c1 ZINC000037462900 401914023 /nfs/dbraw/zinc/91/40/23/401914023.db2.gz FYDCWZHJTTTWNP-UHFFFAOYSA-N -1 0 309.318 2.466 50 0 DEAARM O=C(CSc1n[n-]c(=S)s1)Nc1ccc(F)nc1 ZINC000135012686 401924022 /nfs/dbraw/zinc/92/40/22/401924022.db2.gz YTMFUNFLTZHVLY-UHFFFAOYSA-N -1 0 302.381 2.092 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000136463793 401968290 /nfs/dbraw/zinc/96/82/90/401968290.db2.gz LDJWAMOOUXEGAQ-CQSZACIVSA-N -1 0 317.320 2.091 50 0 DEAARM CCCSCC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000048332715 401998619 /nfs/dbraw/zinc/99/86/19/401998619.db2.gz NBEILSJDPBMOPI-UHFFFAOYSA-N -1 0 317.432 2.268 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1cccc(Br)c1 ZINC000050039862 402024369 /nfs/dbraw/zinc/02/43/69/402024369.db2.gz MHLHNTHGEXKXNR-NSHDSACASA-N -1 0 312.163 2.067 50 0 DEAARM COc1cc(C)cc(OC)c1[C@H](C(=O)[O-])N1CCSCC1 ZINC000095364490 402028454 /nfs/dbraw/zinc/02/84/54/402028454.db2.gz KWKSUFVTOMYKLN-CQSZACIVSA-N -1 0 311.403 2.187 50 0 DEAARM CCCNC(=O)[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000051443470 402034730 /nfs/dbraw/zinc/03/47/30/402034730.db2.gz CPMGCISKMGEWGX-GFCCVEGCSA-N -1 0 324.808 2.424 50 0 DEAARM O=C([O-])C1(c2ccccc2)CCN(C(=O)c2cscn2)CC1 ZINC000095946617 402035677 /nfs/dbraw/zinc/03/56/77/402035677.db2.gz CMMKALGZWDQQLZ-UHFFFAOYSA-N -1 0 316.382 2.402 50 0 DEAARM CC(C)(NC(=O)c1ccn(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000095969795 402038442 /nfs/dbraw/zinc/03/84/42/402038442.db2.gz ZMEUAFHSAUNYFQ-UHFFFAOYSA-N -1 0 307.737 2.119 50 0 DEAARM COC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C(C)C)cc1 ZINC000048991474 402010276 /nfs/dbraw/zinc/01/02/76/402010276.db2.gz UYORFAXIMOYLSC-UHFFFAOYSA-N -1 0 323.374 2.121 50 0 DEAARM Cc1cn(C)c(CC(=O)Nc2ccc(F)cc2F)c1C(=O)[O-] ZINC000064980523 402122463 /nfs/dbraw/zinc/12/24/63/402122463.db2.gz GSHNSLRZKAJBFE-UHFFFAOYSA-N -1 0 308.284 2.491 50 0 DEAARM C[C@H](CNC(=O)Cc1coc(-c2ccc(Cl)cc2)n1)C(=O)[O-] ZINC000096480542 402093739 /nfs/dbraw/zinc/09/37/39/402093739.db2.gz DWUVTROUVKBXIB-SECBINFHSA-N -1 0 322.748 2.374 50 0 DEAARM O=C([O-])Cn1ccc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)n1 ZINC000122840093 402097583 /nfs/dbraw/zinc/09/75/83/402097583.db2.gz RBNISVUMTHHPKS-MNOVXSKESA-N -1 0 319.748 2.363 50 0 DEAARM O=C([O-])c1cnn([C@@H]2CCCN(C(=O)CCC(F)(F)F)C2)c1 ZINC000097036112 402100697 /nfs/dbraw/zinc/10/06/97/402100697.db2.gz XAKTXRTXRPAXPZ-SNVBAGLBSA-N -1 0 319.283 2.087 50 0 DEAARM COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000100269806 402140694 /nfs/dbraw/zinc/14/06/94/402140694.db2.gz RSALICGIYNRVAK-SLGIHZDVSA-N -1 0 323.370 2.239 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccccc1 ZINC000100685209 402142220 /nfs/dbraw/zinc/14/22/20/402142220.db2.gz XQKIMWNZIDYWMF-HUUCEWRRSA-N -1 0 306.325 2.180 50 0 DEAARM CCO[N-]C(=O)[C@@H]1CC(=O)N(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000095442224 286186019 /nfs/dbraw/zinc/18/60/19/286186019.db2.gz CCYHXCLOUMAEGT-NOZJJQNGSA-N -1 0 314.744 2.066 50 0 DEAARM COCCCN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000069417767 402222276 /nfs/dbraw/zinc/22/22/76/402222276.db2.gz MAFPTAYORQROKZ-DZGCQCFKSA-N -1 0 309.337 2.227 50 0 DEAARM O=C(NCc1nc(-c2ccco2)n[nH]1)c1ccc([O-])c(Cl)c1 ZINC000069631332 402235889 /nfs/dbraw/zinc/23/58/89/402235889.db2.gz JRJJVVKVIXMAQJ-UHFFFAOYSA-N -1 0 318.720 2.354 50 0 DEAARM Cc1ccc2cccc(NC(=O)c3nccnc3C(=O)[O-])c2n1 ZINC000071283003 402271850 /nfs/dbraw/zinc/27/18/50/402271850.db2.gz OUYLVPVEGZBVNE-UHFFFAOYSA-N -1 0 308.297 2.284 50 0 DEAARM CC(=O)c1c(C)[nH]c(C(=O)NC2(C(=O)[O-])CCCCC2)c1C ZINC000071802828 402279802 /nfs/dbraw/zinc/27/98/02/402279802.db2.gz BXBYKUNMSZAPJR-UHFFFAOYSA-N -1 0 306.362 2.351 50 0 DEAARM O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)c1n[nH]c(=O)[n-]1 ZINC000071856856 402289019 /nfs/dbraw/zinc/28/90/19/402289019.db2.gz DNUXBTXCWOPMBR-UHFFFAOYSA-N -1 0 315.264 2.089 50 0 DEAARM CC(C)C[C@H](NC(=O)c1occc1Br)C(=O)[O-] ZINC000185325058 402343317 /nfs/dbraw/zinc/34/33/17/402343317.db2.gz QLQNHUUQXIZCPF-QMMMGPOBSA-N -1 0 304.140 2.271 50 0 DEAARM CSCCN1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000244840285 402450123 /nfs/dbraw/zinc/45/01/23/402450123.db2.gz UKLJSEGERQQZJK-UHFFFAOYSA-N -1 0 314.838 2.166 50 0 DEAARM C[C@H](OCC(F)(F)F)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237561223 402412423 /nfs/dbraw/zinc/41/24/23/402412423.db2.gz HAYNCEGTOMYULR-VHSXEESVSA-N -1 0 311.300 2.057 50 0 DEAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000237666761 402417151 /nfs/dbraw/zinc/41/71/51/402417151.db2.gz TUHKIOSEAHXWID-UHFFFAOYSA-N -1 0 321.354 2.033 50 0 DEAARM O=C([O-])c1ccc(C(=O)NCc2ccccc2OC(F)F)cn1 ZINC000238050523 402434805 /nfs/dbraw/zinc/43/48/05/402434805.db2.gz OQXYFPMEDQQPRA-UHFFFAOYSA-N -1 0 322.267 2.311 50 0 DEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cccc2cc[nH]c21 ZINC000238094626 402437297 /nfs/dbraw/zinc/43/72/97/402437297.db2.gz FHKDAQHVUMPYJH-ZDUSSCGKSA-N -1 0 316.357 2.264 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)c1cccs1 ZINC000238149138 402439659 /nfs/dbraw/zinc/43/96/59/402439659.db2.gz VPXDDRDYPJYJHV-YPMHNXCESA-N -1 0 317.366 2.384 50 0 DEAARM CO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)s1 ZINC000165533180 402476731 /nfs/dbraw/zinc/47/67/31/402476731.db2.gz ZYSBZWZPUTUTJD-NXEZZACHSA-N -1 0 312.391 2.096 50 0 DEAARM O=S(=O)([N-]c1nnc(C2CC2)o1)c1cccc(F)c1F ZINC000170615582 402507683 /nfs/dbraw/zinc/50/76/83/402507683.db2.gz YXGGHQQQXKGNSV-UHFFFAOYSA-N -1 0 301.274 2.026 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000261621292 402714920 /nfs/dbraw/zinc/71/49/20/402714920.db2.gz AWLXSKXHPLBNRJ-DOMZBBRYSA-N -1 0 319.357 2.072 50 0 DEAARM Cc1nnc([C@@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)[nH]1 ZINC000253536465 402668313 /nfs/dbraw/zinc/66/83/13/402668313.db2.gz GECZDQJCLMZRHB-JTQLQIEISA-N -1 0 316.390 2.161 50 0 DEAARM C[C@H]1CN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000255284206 402683087 /nfs/dbraw/zinc/68/30/87/402683087.db2.gz QHWDZCDGDINIFW-PWWFUAJNSA-N -1 0 303.358 2.424 50 0 DEAARM Cc1c(Cl)cccc1OCC(=O)N1CCC(C(=O)[O-])CC1 ZINC000262465553 402726272 /nfs/dbraw/zinc/72/62/72/402726272.db2.gz RHGFYAPEKNBZKN-UHFFFAOYSA-N -1 0 311.765 2.350 50 0 DEAARM Cc1ncc(C(=O)N[C@@H](C(=O)[O-])c2cccc(C)c2C)c(C)n1 ZINC000263212124 402747351 /nfs/dbraw/zinc/74/73/51/402747351.db2.gz ZSRGCZOKJZDCDT-OAHLLOKOSA-N -1 0 313.357 2.266 50 0 DEAARM Cc1nscc1C(=O)N(C)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263494161 402774799 /nfs/dbraw/zinc/77/47/99/402774799.db2.gz XLRCLBJPVUFNIK-CYBMUJFWSA-N -1 0 304.371 2.219 50 0 DEAARM CCc1c(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cnn1C(C)(C)C ZINC000262142086 402722450 /nfs/dbraw/zinc/72/24/50/402722450.db2.gz KDPWGNGRJVPZQR-INIZCTEOSA-N -1 0 307.394 2.137 50 0 DEAARM CCc1c(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cnn1C(C)(C)C ZINC000262142088 402722685 /nfs/dbraw/zinc/72/26/85/402722685.db2.gz KDPWGNGRJVPZQR-MRXNPFEDSA-N -1 0 307.394 2.137 50 0 DEAARM O=C([O-])[C@H]1Cc2nc(NC(=O)C3CCCCC3)sc2C(=O)C1 ZINC000299772963 403570180 /nfs/dbraw/zinc/57/01/80/403570180.db2.gz BLIMBLUZYCVUJU-VIFPVBQESA-N -1 0 322.386 2.492 50 0 DEAARM CCC[C@H]1CCc2sc(C(=O)NCc3nnn[n-]3)cc2C1 ZINC000426421720 405359257 /nfs/dbraw/zinc/35/92/57/405359257.db2.gz CMNKCQSNEOTZKC-VIFPVBQESA-N -1 0 305.407 2.096 50 0 DEAARM CCc1cc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n(C)n1 ZINC000634803464 406291259 /nfs/dbraw/zinc/29/12/59/406291259.db2.gz WYVAEZVWWWPVDS-XHDPSFHLSA-N -1 0 315.373 2.174 50 0 DEAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccccc1Cl ZINC000040488279 292517542 /nfs/dbraw/zinc/51/75/42/292517542.db2.gz FOOHABSZVAISCF-BXUZGUMPSA-N -1 0 311.765 2.351 50 0 DEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCC[C@@H]1CCO ZINC000133902068 196344560 /nfs/dbraw/zinc/34/45/60/196344560.db2.gz AIBUGGDGHLZGSK-LLVKDONJSA-N -1 0 306.387 2.494 50 0 DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000000255590 418413214 /nfs/dbraw/zinc/41/32/14/418413214.db2.gz CCOHDBGXSRDPOE-UHFFFAOYSA-N -1 0 305.359 2.149 50 0 DEAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2ncc(C)s2)c1 ZINC000065607471 418487156 /nfs/dbraw/zinc/48/71/56/418487156.db2.gz WJNVTOLHTIUSLZ-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000299741831 229376689 /nfs/dbraw/zinc/37/66/89/229376689.db2.gz GKXMKQGXYOXMKM-LSDHHAIUSA-N -1 0 303.358 2.097 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000299744389 229385313 /nfs/dbraw/zinc/38/53/13/229385313.db2.gz SFGXOBCDWAFSGD-JYJNAYRXSA-N -1 0 317.385 2.396 50 0 DEAARM COC(=O)Nc1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000048382387 424833110 /nfs/dbraw/zinc/83/31/10/424833110.db2.gz XZGZKNQONOOMCZ-QWHCGFSZSA-N -1 0 318.329 2.470 50 0 DEAARM Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)NCCC(=O)[O-] ZINC000222048953 268575392 /nfs/dbraw/zinc/57/53/92/268575392.db2.gz MTPIPQYSFLEEHM-HJWRWDBZSA-N -1 0 313.357 2.093 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(c2ccc(F)cc2)C[C@@H]1C(=O)[O-] ZINC000074941234 278400209 /nfs/dbraw/zinc/40/02/09/278400209.db2.gz KPPLFHVNHIHGFM-CYBMUJFWSA-N -1 0 324.352 2.336 50 0 DEAARM CC(C)(C)OC(=O)[C@H]1N[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000039351850 278457351 /nfs/dbraw/zinc/45/73/51/278457351.db2.gz AVCAAQIORRKXMZ-OCCSQVGLSA-N -1 0 316.357 2.150 50 0 DEAARM CC(C)[C@@H]1CN(c2cc(N3CCCCC3)ncn2)C[C@H]1C(=O)[O-] ZINC000091595452 280016377 /nfs/dbraw/zinc/01/63/77/280016377.db2.gz ZFRMGBMETFLLPP-UONOGXRCSA-N -1 0 318.421 2.260 50 0 DEAARM CC(C)c1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])n(C)n1 ZINC000236883232 280569320 /nfs/dbraw/zinc/56/93/20/280569320.db2.gz ZAAXCPUCINSJBF-GFCCVEGCSA-N -1 0 307.394 2.403 50 0 DEAARM COc1c(C)cc(C(=O)N2C[C@H](OC)C[C@H]2CC(=O)[O-])cc1C ZINC000262970313 294890801 /nfs/dbraw/zinc/89/08/01/294890801.db2.gz IRFYTGSJUCOEMP-UONOGXRCSA-N -1 0 321.373 2.016 50 0 DEAARM COc1cc(I)c(C(=O)[O-])cc1OC ZINC000002571859 294992621 /nfs/dbraw/zinc/99/26/21/294992621.db2.gz HLLHFIIJEOARHX-UHFFFAOYSA-N -1 0 308.071 2.007 50 0 DEAARM COc1ccc(-c2cc(N)n(-c3nc(C(=O)[O-])cs3)n2)cc1 ZINC000033413642 295046866 /nfs/dbraw/zinc/04/68/66/295046866.db2.gz NOTRHUIQCPNHDG-UHFFFAOYSA-N -1 0 316.342 2.285 50 0 DEAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000263304353 298210685 /nfs/dbraw/zinc/21/06/85/298210685.db2.gz OCRGKMBMTBZJAI-GFCCVEGCSA-N -1 0 305.378 2.007 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N(C)CCC(=O)[O-])cc1 ZINC000299751017 301771050 /nfs/dbraw/zinc/77/10/50/301771050.db2.gz PDPJMWQVZBQHOI-ZBFHGGJFSA-N -1 0 305.374 2.396 50 0 DEAARM Cc1nscc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000190731816 302864440 /nfs/dbraw/zinc/86/44/40/302864440.db2.gz RLLJGZHWAKMPBF-CYBMUJFWSA-N -1 0 302.355 2.103 50 0 DEAARM Cn1cc(Cl)cc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000192980441 302914021 /nfs/dbraw/zinc/91/40/21/302914021.db2.gz VWOVCHAWEVMXIK-CQSZACIVSA-N -1 0 318.760 2.330 50 0 DEAARM [O-]c1nnn(-c2ccccc2)c1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000071823998 304849033 /nfs/dbraw/zinc/84/90/33/304849033.db2.gz DVIMJFDNOIDPDD-GOEBONIOSA-N -1 0 314.389 2.116 50 0 DEAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1C1CCCCC1)C1CCOCC1 ZINC000299751140 534498687 /nfs/dbraw/zinc/49/86/87/534498687.db2.gz PRCQPURUGKLQEW-CABCVRRESA-N -1 0 309.406 2.295 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)c2ncoc2[C@@H]2CCCO2)c1 ZINC000299740859 534549583 /nfs/dbraw/zinc/54/95/83/534549583.db2.gz BSNSPWJGRORKKE-LBPRGKRZSA-N -1 0 316.313 2.154 50 0 DEAARM CO[C@H](CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000227267256 523946004 /nfs/dbraw/zinc/94/60/04/523946004.db2.gz OLVXPGJHMJWAHA-GZMMTYOYSA-N -1 0 317.794 2.036 50 0 DEAARM CC(=O)Nc1cccc(CC(=O)NC[C@H](CC(C)C)C(=O)[O-])c1 ZINC000424256972 527047379 /nfs/dbraw/zinc/04/73/79/527047379.db2.gz WJCGCYVLXCMMDD-AWEZNQCLSA-N -1 0 320.389 2.051 50 0 DEAARM Cc1ccc(C(=O)NN=C(CCC(=O)[O-])c2ccccc2)cn1 ZINC000252625992 568585586 /nfs/dbraw/zinc/58/55/86/568585586.db2.gz QTSZCNJNCDZGPD-UHFFFAOYSA-N -1 0 311.341 2.389 50 0 DEAARM C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)[O-] ZINC000005370588 602243061 /nfs/dbraw/zinc/24/30/61/602243061.db2.gz XPKKSAJZDHCPNB-LLVKDONJSA-N -1 0 312.325 2.142 50 0 DEAARM O=C([O-])Cn1cc(/C=C(/Cl)c2nc3ccc(F)cc3o2)nn1 ZINC000095442897 641169575 /nfs/dbraw/zinc/16/95/75/641169575.db2.gz FPIWSFYAAXFAAS-RUDMXATFSA-N -1 0 322.683 2.380 50 0 DEAARM CCN(CC)c1ccc(C(=O)N=c2sccn2C)c([O-])c1 ZINC000263625489 648695137 /nfs/dbraw/zinc/69/51/37/648695137.db2.gz NFDNGUXNVPOFDU-UHFFFAOYSA-N -1 0 305.403 2.380 50 0 DEAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)c1ccc(SCCO)cc1 ZINC000217069218 788955258 /nfs/dbraw/zinc/95/52/58/788955258.db2.gz JTZWGBCCGFFRIC-INIZCTEOSA-N -1 0 323.414 2.240 50 0 DEAARM CC(C)(C)c1nc(C(=O)N2CC[C@@H]([C@@H](F)C(=O)[O-])C2)cs1 ZINC000952849751 792776224 /nfs/dbraw/zinc/77/62/24/792776224.db2.gz QTJHUIVTFLHQQW-PSASIEDQSA-N -1 0 314.382 2.325 50 0 DEAARM C=CCN1CCN([C@H](C(=O)[O-])c2ccc(OC(C)C)cc2)CC1 ZINC000063846711 1087676995 /nfs/dbraw/zinc/67/69/95/1087676995.db2.gz ZDHQEUYPGDNTNU-KRWDZBQOSA-N -1 0 318.417 2.403 50 0 DEAARM C=CCN1CCN([C@@H](C(=O)[O-])c2ccc(OC(C)C)cc2)CC1 ZINC000063846712 1087677016 /nfs/dbraw/zinc/67/70/16/1087677016.db2.gz ZDHQEUYPGDNTNU-QGZVFWFLSA-N -1 0 318.417 2.403 50 0 DEAARM CCn1nc(C(C)C)cc1C(=O)N[C@@H](Cc1ccco1)C(=O)[O-] ZINC000095503153 185375054 /nfs/dbraw/zinc/37/50/54/185375054.db2.gz NSPAJEIMSFEOLM-ZDUSSCGKSA-N -1 0 319.361 2.045 50 0 DEAARM Cc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1Br ZINC000164437118 197653858 /nfs/dbraw/zinc/65/38/58/197653858.db2.gz MWUCWYRSSQBYQG-JTQLQIEISA-N -1 0 312.163 2.304 50 0 DEAARM Cc1c[nH]c(=O)n1-c1ccccc1[N-]S(=O)(=O)c1ccco1 ZINC000328588947 231232486 /nfs/dbraw/zinc/23/24/86/231232486.db2.gz ZHXHSWUZGBGUNO-UHFFFAOYSA-N -1 0 319.342 2.280 50 0 DEAARM O=C([O-])[C@H]1C2CCC(CC2)[C@H]1C(=O)NCCc1ccccc1 ZINC000006742340 190623260 /nfs/dbraw/zinc/62/32/60/190623260.db2.gz XOZAHVYJTCZYCE-FJBKBRRZSA-N -1 0 301.386 2.482 50 0 DEAARM C[C@](Cc1ccccc1)(NC(=O)CCc1cscn1)C(=O)[O-] ZINC000095424782 185361545 /nfs/dbraw/zinc/36/15/45/185361545.db2.gz WTUXTQYBSKAXQY-MRXNPFEDSA-N -1 0 318.398 2.278 50 0 DEAARM CC(C)[C@@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)C(=O)[O-] ZINC000097017539 185397787 /nfs/dbraw/zinc/39/77/87/185397787.db2.gz VBFKNANIZAEGNA-CQSZACIVSA-N -1 0 303.362 2.456 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000238014192 539752774 /nfs/dbraw/zinc/75/27/74/539752774.db2.gz UHEZXTQWYCAJCE-ABAIWWIYSA-N -1 0 321.348 2.233 50 0 DEAARM COc1ccc(S(=O)(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000072295200 191110836 /nfs/dbraw/zinc/11/08/36/191110836.db2.gz JBEVXCLFKHXAQK-UHFFFAOYSA-N -1 0 321.354 2.123 50 0 DEAARM C[C@@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1F ZINC000237448557 186290660 /nfs/dbraw/zinc/29/06/60/186290660.db2.gz GDNWUBSUMJVHMR-GFCCVEGCSA-N -1 0 323.364 2.412 50 0 DEAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccnc1C(F)(F)F ZINC000262861037 186314540 /nfs/dbraw/zinc/31/45/40/186314540.db2.gz FDKMNXRJERKBBC-QMMMGPOBSA-N -1 0 302.252 2.180 50 0 DEAARM CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(C)noc2C)cc1 ZINC000000155969 180710944 /nfs/dbraw/zinc/71/09/44/180710944.db2.gz PYHUGHHTGWHIRE-UHFFFAOYSA-N -1 0 309.347 2.051 50 0 DEAARM O=C([O-])C1(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC000154903669 304027270 /nfs/dbraw/zinc/02/72/70/304027270.db2.gz AXAAJYRSSBGSNG-UHFFFAOYSA-N -1 0 319.201 2.195 50 0 DEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000003651415 181043522 /nfs/dbraw/zinc/04/35/22/181043522.db2.gz KMZOGWVAUXDYSK-AAEUAGOBSA-N -1 0 319.338 2.287 50 0 DEAARM O=C([O-])[C@@H]1CS[C@H](c2ccc(OC(=O)c3ccco3)cc2)N1 ZINC000003651417 181043748 /nfs/dbraw/zinc/04/37/48/181043748.db2.gz KMZOGWVAUXDYSK-WCQYABFASA-N -1 0 319.338 2.287 50 0 DEAARM C=CC[C@@H]1N(c2ccccc2)C(=O)[C@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@]12O3 ZINC000000485776 353989852 /nfs/dbraw/zinc/98/98/52/353989852.db2.gz CVIIEVKDNDVREO-KQVLKZGSSA-N -1 0 311.337 2.002 50 0 DEAARM CC(C)[C@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)C(=O)[O-] ZINC000004084440 181071144 /nfs/dbraw/zinc/07/11/44/181071144.db2.gz FNCXFETZHSAFEV-ZDUSSCGKSA-N -1 0 304.302 2.024 50 0 biogenic DEAARM O=C([O-])CCCC(=O)NCc1cccc(Br)c1 ZINC000004715481 181141810 /nfs/dbraw/zinc/14/18/10/181141810.db2.gz HDQNCIYOTQIECT-UHFFFAOYSA-N -1 0 300.152 2.320 50 0 DEAARM CC(C)(C)OC(=O)[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000004764604 181149783 /nfs/dbraw/zinc/14/97/83/181149783.db2.gz DCRXXPBUFHOMPN-GFCCVEGCSA-N -1 0 323.345 2.098 50 0 DEAARM Cc1nnc(NCCc2c[nH]c3ccc(Cl)cc23)[n-]c1=O ZINC000004818437 181156114 /nfs/dbraw/zinc/15/61/14/181156114.db2.gz MUCKOXPPGRURFF-UHFFFAOYSA-N -1 0 303.753 2.263 50 0 DEAARM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cccc(F)c2)n1 ZINC000076023424 191555597 /nfs/dbraw/zinc/55/55/97/191555597.db2.gz CCBXSVBLMYUXHA-UHFFFAOYSA-N -1 0 316.383 2.245 50 0 DEAARM CCCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)[nH]n1 ZINC000097160151 355702369 /nfs/dbraw/zinc/70/23/69/355702369.db2.gz HNHVIMPSUPLBFR-CYBMUJFWSA-N -1 0 301.346 2.308 50 0 DEAARM O=C([O-])[C@@H]1CC[C@@H](NC(=O)c2coc(Br)c2)C1 ZINC000097231739 355703056 /nfs/dbraw/zinc/70/30/56/355703056.db2.gz ZHOHDODMRMRAHQ-HTRCEHHLSA-N -1 0 302.124 2.025 50 0 DEAARM CC(=O)Nc1ccc(Nc2nc(=O)c(C(C)(C)C)n[n-]2)cc1 ZINC000005154520 181210901 /nfs/dbraw/zinc/21/09/01/181210901.db2.gz CNKAENFXMVVNNS-UHFFFAOYSA-N -1 0 301.350 2.164 50 0 DEAARM CCc1ccc(O)c(C(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 ZINC000182111014 356109223 /nfs/dbraw/zinc/10/92/23/356109223.db2.gz YSIYDBMROOMAEU-ZDUSSCGKSA-N -1 0 300.362 2.440 50 0 DEAARM O=C([O-])[C@H](CNC(=O)c1[nH]nc2ccccc21)Cc1ccccc1 ZINC000195551201 356256408 /nfs/dbraw/zinc/25/64/08/356256408.db2.gz ISJSAZMGGNDNBM-ZDUSSCGKSA-N -1 0 323.352 2.236 50 0 DEAARM CCC[C@H](C)CS(=O)(=O)[N-]C(=O)Cc1nc(C)sc1C ZINC000252478040 356334105 /nfs/dbraw/zinc/33/41/05/356334105.db2.gz AARCBCSKDHZWND-VIFPVBQESA-N -1 0 318.464 2.185 50 0 DEAARM CCc1nc(=NC[C@H]2CCCN(CC(F)(F)F)C2)s[n-]1 ZINC000585091996 540256500 /nfs/dbraw/zinc/25/65/00/540256500.db2.gz ABRZYJNVILQDPG-SECBINFHSA-N -1 0 308.373 2.209 50 0 DEAARM CC(C)(C)c1nc(C(=O)NCc2nc(C(=O)[O-])co2)cs1 ZINC000585134416 357335884 /nfs/dbraw/zinc/33/58/84/357335884.db2.gz RPXJFOWHHINKOF-UHFFFAOYSA-N -1 0 309.347 2.057 50 0 DEAARM COc1ccc(CC(=O)N2CC3(CCCC3)[C@@H]2C(=O)[O-])cc1F ZINC000585134023 357335950 /nfs/dbraw/zinc/33/59/50/357335950.db2.gz AYFHVPIROQDYHU-HNNXBMFYSA-N -1 0 321.348 2.233 50 0 DEAARM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)C[C@H]1CCCO1 ZINC000585134448 357335997 /nfs/dbraw/zinc/33/59/97/357335997.db2.gz UKMKZBYOGFVGCA-CRAIPNDOSA-N -1 0 317.385 2.244 50 0 DEAARM C[C@@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCO[C@H]1C1CC1 ZINC000668315906 540646067 /nfs/dbraw/zinc/64/60/67/540646067.db2.gz WBBIDDIKZVVEBO-FUHWJXTLSA-N -1 0 317.385 2.391 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCOc2ccc(Cl)cc2)C1 ZINC000237523573 202270270 /nfs/dbraw/zinc/27/02/70/202270270.db2.gz DRHNFSCAQAYFIT-OAHLLOKOSA-N -1 0 311.765 2.432 50 0 DEAARM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237641311 202313978 /nfs/dbraw/zinc/31/39/78/202313978.db2.gz GIKOJLOHDOAJKG-KWQFWETISA-N -1 0 315.728 2.322 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000237653871 202319090 /nfs/dbraw/zinc/31/90/90/202319090.db2.gz BAIDZAYJXWUBEF-MRXNPFEDSA-N -1 0 317.320 2.153 50 0 DEAARM Cc1ccc2c(CC(=O)N3CCCC[C@@H]3C(=O)[O-])c[nH]c2c1 ZINC000237869669 202373225 /nfs/dbraw/zinc/37/32/25/202373225.db2.gz KUSAEJMJLFJAOF-OAHLLOKOSA-N -1 0 300.358 2.485 50 0 DEAARM Cc1ccc2c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)c[nH]c2c1 ZINC000237870773 202375948 /nfs/dbraw/zinc/37/59/48/202375948.db2.gz AZRRMVWGNXZHDJ-LBPRGKRZSA-N -1 0 300.358 2.342 50 0 DEAARM O=C([O-])CN(C(=O)c1coc2ccccc12)C1CCOCC1 ZINC000238111184 202443797 /nfs/dbraw/zinc/44/37/97/202443797.db2.gz OKJOZDSSPHEDGI-UHFFFAOYSA-N -1 0 303.314 2.139 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2F)c[nH]1 ZINC000091858590 193118490 /nfs/dbraw/zinc/11/84/90/193118490.db2.gz OXFQXNMGRTUIQO-UHFFFAOYSA-N -1 0 318.713 2.306 50 0 DEAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2noc(C3CC3)n2)C1 ZINC000091997756 193139535 /nfs/dbraw/zinc/13/95/35/193139535.db2.gz XAFUCHOQVVBDMC-HNNXBMFYSA-N -1 0 309.366 2.045 50 0 DEAARM O=C([O-])Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CCOCC2)cc1 ZINC000630159344 367506846 /nfs/dbraw/zinc/50/68/46/367506846.db2.gz GQCSBZHSPDZSKF-LSDHHAIUSA-N -1 0 303.358 2.315 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2c(c1)CCO2 ZINC000299740608 304147422 /nfs/dbraw/zinc/14/74/22/304147422.db2.gz ANDOUYQGWXFIGD-UGFHNGPFSA-N -1 0 315.369 2.479 50 0 DEAARM CC1(C)C[C@H]1C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262573368 203334833 /nfs/dbraw/zinc/33/48/33/203334833.db2.gz XRNPFKPVFPOFBU-GXTWGEPZSA-N -1 0 300.358 2.326 50 0 DEAARM COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@H]2C(=O)[O-])c(OC)c1 ZINC000262580663 203338432 /nfs/dbraw/zinc/33/84/32/203338432.db2.gz FMMUOZYGVBDACB-MCIONIFRSA-N -1 0 319.357 2.088 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)cn1 ZINC000172317205 304152993 /nfs/dbraw/zinc/15/29/93/304152993.db2.gz METOXLVDTFIECL-AWEZNQCLSA-N -1 0 316.744 2.387 50 0 DEAARM Cc1cc2c(cc1C)[C@@H](C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1)CO2 ZINC000263536573 203477211 /nfs/dbraw/zinc/47/72/11/203477211.db2.gz OUXXTPDIIODKCE-SCRDCRAPSA-N -1 0 303.358 2.149 50 0 DEAARM CCCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@@H]2C(=O)[O-])cc1OC ZINC000095969691 193466485 /nfs/dbraw/zinc/46/64/85/193466485.db2.gz ZICQKLDXHXTLMS-DRZSPHRISA-N -1 0 321.373 2.382 50 0 DEAARM CC(C)[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1F ZINC000096006719 193487542 /nfs/dbraw/zinc/48/75/42/193487542.db2.gz MKTYBADBPCMKIF-SNVBAGLBSA-N -1 0 312.732 2.018 50 0 DEAARM CCn1nc(NC(=O)CCC(=O)[O-])c2cc3ccccc3nc21 ZINC000009360671 181616986 /nfs/dbraw/zinc/61/69/86/181616986.db2.gz CLDZDALCWDJMNU-UHFFFAOYSA-N -1 0 312.329 2.408 50 0 DEAARM Cc1ccc(CNC(=O)CSc2ncccc2C(=O)[O-])cc1 ZINC000013188743 181837034 /nfs/dbraw/zinc/83/70/34/181837034.db2.gz OPMVGWLIUJEMSA-UHFFFAOYSA-N -1 0 316.382 2.497 50 0 DEAARM COc1ccc(C)cc1/C=C/C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013260741 181839968 /nfs/dbraw/zinc/83/99/68/181839968.db2.gz NWFTZGPVVLJGDE-IZPAUZPXSA-N -1 0 303.358 2.340 50 0 DEAARM Cn1cc(S(=O)(=O)[N-]c2cccc3c2OC(C)(C)CC3)cn1 ZINC000530147775 284350901 /nfs/dbraw/zinc/35/09/01/284350901.db2.gz LLHCSEXOYZFAFL-UHFFFAOYSA-N -1 0 321.402 2.325 50 0 DEAARM CCOCc1nnc([N-]S(=O)(=O)Cc2ccccc2)s1 ZINC000016319954 182040194 /nfs/dbraw/zinc/04/01/94/182040194.db2.gz DWAPMEXTYNQRPV-UHFFFAOYSA-N -1 0 313.404 2.017 50 0 DEAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCCC3)cc21 ZINC000016672028 182057496 /nfs/dbraw/zinc/05/74/96/182057496.db2.gz JJIHMZMZZJCBPX-UHFFFAOYSA-N -1 0 304.321 2.459 50 0 DEAARM Cc1noc(CCC(=O)Nc2ccc3[n-]c(=S)oc3c2)n1 ZINC000160737591 197435844 /nfs/dbraw/zinc/43/58/44/197435844.db2.gz UTKQVSWQARRGMU-UHFFFAOYSA-N -1 0 304.331 2.379 50 0 DEAARM C[C@@H](OCC(F)(F)F)C(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237397775 296205769 /nfs/dbraw/zinc/20/57/69/296205769.db2.gz DYRIGCPPASWZQI-ZJUUUORDSA-N -1 0 311.300 2.200 50 0 DEAARM Cc1ccc([C@H](C)NC(=O)CCn2ccc(C(=O)[O-])n2)c(C)c1 ZINC000020614500 182238705 /nfs/dbraw/zinc/23/87/05/182238705.db2.gz NEEOAXIYGAZICG-ZDUSSCGKSA-N -1 0 315.373 2.466 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)c[nH]1 ZINC000022158947 182311447 /nfs/dbraw/zinc/31/14/47/182311447.db2.gz SZAQJDDKAZACRM-UHFFFAOYSA-N -1 0 300.723 2.167 50 0 DEAARM COc1ccc(/C=C\C(=O)NC2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000098054620 193778729 /nfs/dbraw/zinc/77/87/29/193778729.db2.gz WBZINAOHZYUFFS-VURMDHGXSA-N -1 0 319.357 2.231 50 0 DEAARM CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000042362746 183258879 /nfs/dbraw/zinc/25/88/79/183258879.db2.gz NTXLUFHZBOFQMR-SFYZADRCSA-N -1 0 318.192 2.190 50 0 DEAARM Cc1sc(N2C[C@@H](C(=O)[O-])CC2=O)nc1Cc1ccccc1 ZINC000044979140 183472863 /nfs/dbraw/zinc/47/28/63/183472863.db2.gz ZXFONRWWWOTCPK-LBPRGKRZSA-N -1 0 316.382 2.480 50 0 DEAARM O=C([O-])c1cc(=O)c2cc(I)ccc2o1 ZINC000095616972 304220431 /nfs/dbraw/zinc/22/04/31/304220431.db2.gz GTUOXYACWOFHDM-UHFFFAOYSA-N -1 0 316.050 2.096 50 0 DEAARM O=C([O-])c1cc(Br)nn1-c1ncccc1Cl ZINC000015810042 304221431 /nfs/dbraw/zinc/22/14/31/304221431.db2.gz FORBXGROTPOMEH-UHFFFAOYSA-N -1 0 302.515 2.381 50 0 DEAARM COc1ccc(-c2nc(C)c(C(=O)NCCC(=O)[O-])s2)cc1 ZINC000049548050 183740230 /nfs/dbraw/zinc/74/02/30/183740230.db2.gz GPPGRQQQSOPCPD-UHFFFAOYSA-N -1 0 320.370 2.332 50 0 DEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000268884389 207054786 /nfs/dbraw/zinc/05/47/86/207054786.db2.gz FVDNMQWJVHYDLF-QWRGUYRKSA-N -1 0 324.174 2.275 50 0 DEAARM Cc1cccc(C)c1OCC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000268921403 207087442 /nfs/dbraw/zinc/08/74/42/207087442.db2.gz ATTZYRKCWNIRHZ-UHFFFAOYSA-N -1 0 305.374 2.442 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC000268937741 207103227 /nfs/dbraw/zinc/10/32/27/207103227.db2.gz CRVSCPBXJQHLSB-OZVIIMIRSA-N -1 0 309.312 2.392 50 0 DEAARM CCc1ccc(NC(=O)[C@H](Cc2ccncc2)c2nnn[n-]2)cc1 ZINC000057523592 184041118 /nfs/dbraw/zinc/04/11/18/184041118.db2.gz LDLYVWOAANETME-OAHLLOKOSA-N -1 0 322.372 2.122 50 0 DEAARM CC/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc(C)cc1 ZINC000269042532 207192549 /nfs/dbraw/zinc/19/25/49/207192549.db2.gz RFMLGDCVMBZVRL-HFQYIWAZSA-N -1 0 317.385 2.491 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCOc2cccc(Cl)c2)C1 ZINC000062913649 184259472 /nfs/dbraw/zinc/25/94/72/184259472.db2.gz SZPKDCHRJGWJCM-HNNXBMFYSA-N -1 0 311.765 2.432 50 0 DEAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000062913968 184259971 /nfs/dbraw/zinc/25/99/71/184259971.db2.gz MKBHERWZRNMAAV-GFCCVEGCSA-N -1 0 305.161 2.269 50 0 DEAARM CN(C)c1ccc(NC(=O)COc2ccccc2)c(C(=O)[O-])c1 ZINC000064589137 184301210 /nfs/dbraw/zinc/30/12/10/184301210.db2.gz FIRWDYWDXOZZKS-UHFFFAOYSA-N -1 0 314.341 2.468 50 0 DEAARM Cc1ccc(-c2ccc(C(=O)NCCCc3nnn[n-]3)cc2)o1 ZINC000065503769 184356388 /nfs/dbraw/zinc/35/63/88/184356388.db2.gz XXCKJZKBOBZIAA-UHFFFAOYSA-N -1 0 311.345 2.131 50 0 DEAARM O=C([O-])c1cccc(-n2nc3oc4cc(O)ccc4cc-3c2=O)c1 ZINC000033261845 304255584 /nfs/dbraw/zinc/25/55/84/304255584.db2.gz MJBOKSDEJFVGEN-UHFFFAOYSA-N -1 0 322.276 2.487 50 0 DEAARM CCc1c(C(=O)N2CCCC[C@@H]2C(=O)[O-])[nH]c(C)c1C(C)=O ZINC000158484312 197277398 /nfs/dbraw/zinc/27/73/98/197277398.db2.gz DFHPRDDNJPZJLK-GFCCVEGCSA-N -1 0 306.362 2.167 50 0 DEAARM C[C@@H](NC(=O)C1(C(=O)[O-])CC1)c1ccccc1Br ZINC000154757389 196990017 /nfs/dbraw/zinc/99/00/17/196990017.db2.gz MTVLVBZBKNBNAL-MRVPVSSYSA-N -1 0 312.163 2.491 50 0 DEAARM O=C([O-])c1ccccc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 ZINC000002708362 304270292 /nfs/dbraw/zinc/27/02/92/304270292.db2.gz BZGXWFYACBINND-AWEZNQCLSA-N -1 0 311.293 2.105 50 0 DEAARM COc1cccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1OC ZINC000299745140 533398773 /nfs/dbraw/zinc/39/87/73/533398773.db2.gz WLINBRAUQHMFEY-GFCCVEGCSA-N -1 0 321.373 2.421 50 0 DEAARM CC(C)COc1cccc(OCC(=O)NCCCC(=O)[O-])c1 ZINC000262113881 145262987 /nfs/dbraw/zinc/26/29/87/145262987.db2.gz KJIVFYJGOOIXPK-UHFFFAOYSA-N -1 0 309.362 2.081 50 0 DEAARM COc1cc(NC(=O)c2cc(C3CC3)[nH]n2)ccc1C(=O)[O-] ZINC000262830098 145307052 /nfs/dbraw/zinc/30/70/52/145307052.db2.gz BEQZWVAEYDTGRM-UHFFFAOYSA-N -1 0 301.302 2.246 50 0 DEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)c1cnn2ccccc12 ZINC000326161239 145382336 /nfs/dbraw/zinc/38/23/36/145382336.db2.gz DVTSANSKCYVXFS-MRXNPFEDSA-N -1 0 321.336 2.159 50 0 DEAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000005006394 401727955 /nfs/dbraw/zinc/72/79/55/401727955.db2.gz GCDJCSFKJZMGGT-KGLIPLIRSA-N -1 0 316.357 2.171 50 0 DEAARM O=C([O-])CCNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000000026237 401687330 /nfs/dbraw/zinc/68/73/30/401687330.db2.gz NFWALENORDGHOL-UHFFFAOYSA-N -1 0 321.354 2.232 50 0 DEAARM O=C([O-])CN(CCc1ccccc1)S(=O)(=O)c1ccccc1 ZINC000000177812 401689033 /nfs/dbraw/zinc/68/90/33/401689033.db2.gz NUIZYVHNJDAMKW-UHFFFAOYSA-N -1 0 319.382 2.005 50 0 DEAARM Cc1cccc(NC(=O)[C@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000000236787 401691921 /nfs/dbraw/zinc/69/19/21/401691921.db2.gz AOCDUIOMWQTZTK-AWEZNQCLSA-N -1 0 302.330 2.160 50 0 DEAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-] ZINC000000256934 401692404 /nfs/dbraw/zinc/69/24/04/401692404.db2.gz DEAVWQSRBJQFEW-GHMZBOCLSA-N -1 0 305.330 2.303 50 0 DEAARM CCNC(=O)Nn1c(=O)c2ccccc2nc1-c1ccccc1 ZINC000000508111 401699600 /nfs/dbraw/zinc/69/96/00/401699600.db2.gz RSCCFTWPPWCRIO-UHFFFAOYSA-N -1 0 308.341 2.337 50 0 DEAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC(C)C)[nH]c2C[C@@H]1C ZINC000001070570 401704657 /nfs/dbraw/zinc/70/46/57/401704657.db2.gz KQXQDEKIQCKIGN-KWQFWETISA-N -1 0 307.346 2.052 50 0 DEAARM CCN1C(=O)S/C(=C\c2ccc(OCC(=O)[O-])cc2)C1=O ZINC000001183606 401704743 /nfs/dbraw/zinc/70/47/43/401704743.db2.gz UYRAHQURONUXHQ-XFFZJAGNSA-N -1 0 307.327 2.206 50 0 DEAARM CC[C@@H](C)n1nccc1NC(=O)c1n[n-]c2ccccc2c1=O ZINC000072287877 401706430 /nfs/dbraw/zinc/70/64/30/401706430.db2.gz NSIREHTWERSPDD-SNVBAGLBSA-N -1 0 311.345 2.343 50 0 DEAARM CCCCCCNC(=O)CC(=O)Nc1ccccc1C(=O)[O-] ZINC000002027844 401711642 /nfs/dbraw/zinc/71/16/42/401711642.db2.gz KGTPPWDRVZDPEQ-UHFFFAOYSA-N -1 0 306.362 2.410 50 0 DEAARM Cc1ccccc1NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1 ZINC000002685309 401716584 /nfs/dbraw/zinc/71/65/84/401716584.db2.gz CQQSZZCEAHVOFX-UHFFFAOYSA-N -1 0 307.327 2.200 50 0 DEAARM Cc1cc([N-][C@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)no1 ZINC000002863554 401719399 /nfs/dbraw/zinc/71/93/99/401719399.db2.gz MVAFKBZHAUFYDN-ZDUSSCGKSA-N -1 0 324.262 2.230 50 0 DEAARM Cc1ccc(OCCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000013170562 401797570 /nfs/dbraw/zinc/79/75/70/401797570.db2.gz QUKIRLOSPSMXIQ-CQSZACIVSA-N -1 0 305.374 2.477 50 0 DEAARM Cc1cccc(OCCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013170706 401797812 /nfs/dbraw/zinc/79/78/12/401797812.db2.gz JNCYMCXCZYBMSV-CQSZACIVSA-N -1 0 305.374 2.477 50 0 DEAARM CNC(=O)c1ccccc1NC(=O)CC1(C(=O)[O-])CCCC1 ZINC000013468783 401799893 /nfs/dbraw/zinc/79/98/93/401799893.db2.gz HXSGWLAZVSSIRS-UHFFFAOYSA-N -1 0 304.346 2.020 50 0 DEAARM Cn1cc(/C=C2\SC(=O)N(CC(=O)[O-])C2=O)c2ccccc21 ZINC000013788042 401804766 /nfs/dbraw/zinc/80/47/66/401804766.db2.gz UOLGOYBYRKWVCL-SDQBBNPISA-N -1 0 316.338 2.299 50 0 DEAARM O=C([O-])CNC(=O)N1CCC(c2nc3ccccc3s2)CC1 ZINC000009048939 401758763 /nfs/dbraw/zinc/75/87/63/401758763.db2.gz QTTDFWAXKJJMMX-UHFFFAOYSA-N -1 0 319.386 2.270 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000008994326 401758872 /nfs/dbraw/zinc/75/88/72/401758872.db2.gz NNAVQIWUUVVGGV-ZANVPECISA-N -1 0 305.334 2.304 50 0 DEAARM CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)cn1 ZINC000075572672 401762759 /nfs/dbraw/zinc/76/27/59/401762759.db2.gz KDVCKGQSMVWOSC-CQSZACIVSA-N -1 0 314.341 2.426 50 0 DEAARM CC[C@@H](C)NC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000012403795 401784908 /nfs/dbraw/zinc/78/49/08/401784908.db2.gz YPXCDQBRURNULR-LLVKDONJSA-N -1 0 306.362 2.408 50 0 DEAARM CCCn1cc2c(n1)n(CCC(=O)[O-])c(=O)cc2C(F)(F)F ZINC000012398308 401785133 /nfs/dbraw/zinc/78/51/33/401785133.db2.gz AGSMIGGVYYGSRK-UHFFFAOYSA-N -1 0 317.267 2.102 50 0 DEAARM CC(C)OCCCNC(=O)CSc1ccccc1C(=O)[O-] ZINC000012785787 401791731 /nfs/dbraw/zinc/79/17/31/401791731.db2.gz GENYXZTVIOZVGU-UHFFFAOYSA-N -1 0 311.403 2.408 50 0 DEAARM Nc1cc(N2CCC(Cc3cccc(C(=O)[O-])c3)CC2)ncn1 ZINC000077522369 401818549 /nfs/dbraw/zinc/81/85/49/401818549.db2.gz BPMFYDRBNIGQBW-UHFFFAOYSA-N -1 0 312.373 2.216 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)Nc3ccccc3N2O)cc1O ZINC000020442576 401824190 /nfs/dbraw/zinc/82/41/90/401824190.db2.gz LSSWTSBGWLAPPF-UHFFFAOYSA-N -1 0 301.258 2.253 50 0 DEAARM COc1cc(C)nc([N-]S(=O)(=O)c2ccc(Cl)cc2)n1 ZINC000026952402 401843195 /nfs/dbraw/zinc/84/31/95/401843195.db2.gz PLMMOCGUWBHCCC-UHFFFAOYSA-N -1 0 313.766 2.248 50 0 DEAARM COc1ccc(/C=C/C(=O)NC2(C(=O)[O-])CCCC2)c(OC)c1 ZINC000078307637 401846151 /nfs/dbraw/zinc/84/61/51/401846151.db2.gz WBZINAOHZYUFFS-SOFGYWHQSA-N -1 0 319.357 2.231 50 0 DEAARM COc1ccc2c(CC(=O)N3CCC[C@H](C(=O)[O-])C3)coc2c1 ZINC000078706081 401862362 /nfs/dbraw/zinc/86/23/62/401862362.db2.gz AOHKVZIPAZDGFC-NSHDSACASA-N -1 0 317.341 2.307 50 0 DEAARM CN(Cc1ncnn1C)C(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080034305 401887194 /nfs/dbraw/zinc/88/71/94/401887194.db2.gz LCRSTRNDRILPBK-UHFFFAOYSA-N -1 0 315.160 2.100 50 0 DEAARM O=C(CCc1nnc(-c2ccccc2)[n-]c1=O)N1CCCCC1 ZINC000034767629 401894016 /nfs/dbraw/zinc/89/40/16/401894016.db2.gz IRKNSGWUEVPDFU-UHFFFAOYSA-N -1 0 312.373 2.189 50 0 DEAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2ccccc2)[n-]c1=O ZINC000034767619 401894088 /nfs/dbraw/zinc/89/40/88/401894088.db2.gz YMIHIYIFQGUDDW-LLVKDONJSA-N -1 0 300.362 2.092 50 0 DEAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCCCC2)c2ccc(C(=O)[O-])cc21 ZINC000036360661 401905057 /nfs/dbraw/zinc/90/50/57/401905057.db2.gz ZOMNMULPFCMFBP-OAHLLOKOSA-N -1 0 316.357 2.488 50 0 DEAARM Cc1noc(C)c1COc1ccc(C(=O)NCCC(=O)[O-])cc1 ZINC000089529474 401951550 /nfs/dbraw/zinc/95/15/50/401951550.db2.gz IULXAILIEGTGLC-UHFFFAOYSA-N -1 0 318.329 2.075 50 0 DEAARM CCOc1ccc(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000136463035 401968033 /nfs/dbraw/zinc/96/80/33/401968033.db2.gz KFZIVQJCQUJFBO-OAHLLOKOSA-N -1 0 305.374 2.484 50 0 DEAARM Cc1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])nn1-c1ccccc1 ZINC000136472217 401968386 /nfs/dbraw/zinc/96/83/86/401968386.db2.gz AFCQPZBKWKGMJK-OAHLLOKOSA-N -1 0 313.357 2.260 50 0 DEAARM CC(C)[S@@](=O)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000136477492 401968567 /nfs/dbraw/zinc/96/85/67/401968567.db2.gz ZPMHYZKKBKPLBH-PEBXRYMYSA-N -1 0 323.414 2.282 50 0 DEAARM C[C@@H]1CN(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)CC(C)(C)O1 ZINC000137136632 401979692 /nfs/dbraw/zinc/97/96/92/401979692.db2.gz QHWDZCDGDINIFW-UVMWJGKXSA-N -1 0 303.358 2.424 50 0 DEAARM CCc1ccc(CNC(=O)c2c([O-])c3cccnc3[nH]c2=O)cc1 ZINC000049411688 402017345 /nfs/dbraw/zinc/01/73/45/402017345.db2.gz PYDFUEHSAXZTQO-UHFFFAOYSA-N -1 0 323.352 2.121 50 0 DEAARM CCc1nc(CN(C)[C@@H](C(=O)[O-])c2cccc(F)c2F)no1 ZINC000095352334 402026455 /nfs/dbraw/zinc/02/64/55/402026455.db2.gz MQUSTXNKOJJACX-CYBMUJFWSA-N -1 0 311.288 2.168 50 0 DEAARM Cc1ncsc1CCC(=O)NCc1ccc(C(=O)[O-])s1 ZINC000095366801 402028266 /nfs/dbraw/zinc/02/82/66/402028266.db2.gz WHUGMIBFZJUHQH-UHFFFAOYSA-N -1 0 310.400 2.460 50 0 DEAARM COc1cc(Cl)c(C)cc1NC(=O)N[C@@H](C)c1nnn[n-]1 ZINC000095531621 402034134 /nfs/dbraw/zinc/03/41/34/402034134.db2.gz BUPRFWFWLQYDNS-ZETCQYMHSA-N -1 0 310.745 2.053 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000097035353 402100579 /nfs/dbraw/zinc/10/05/79/402100579.db2.gz LQKCIMHCIIJFPW-TUAOUCFPSA-N -1 0 309.312 2.392 50 0 DEAARM Cn1cc(CCC(=O)N2CCC[C@@H](C(=O)[O-])C2)c2ccccc21 ZINC000097035298 402100902 /nfs/dbraw/zinc/10/09/02/402100902.db2.gz WTRVEBFLFZLVSG-CQSZACIVSA-N -1 0 314.385 2.434 50 0 DEAARM CCCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347892 402144732 /nfs/dbraw/zinc/14/47/32/402144732.db2.gz IDDIOWKNJKGNAP-GFCCVEGCSA-N -1 0 300.318 2.050 50 0 DEAARM CC[C@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000102033649 402161680 /nfs/dbraw/zinc/16/16/80/402161680.db2.gz DDFYIBGYWBBVMS-VIFPVBQESA-N -1 0 305.403 2.233 50 0 DEAARM CCC(=O)OC1=C(C)N(Cc2ccccc2)C(=O)[C@@H]1CC(=O)[O-] ZINC000102807357 402172872 /nfs/dbraw/zinc/17/28/72/402172872.db2.gz FMYDKPWCKJKQSL-CYBMUJFWSA-N -1 0 317.341 2.304 50 0 DEAARM O=C([O-])C1(C(=O)N2CCC(Cc3cccc(F)c3)CC2)CC1 ZINC000154806503 402233851 /nfs/dbraw/zinc/23/38/51/402233851.db2.gz KJEHHXPKUVEWNP-UHFFFAOYSA-N -1 0 305.349 2.472 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCc2cccnc2)[C@H]1c1cccs1 ZINC000069843369 402246737 /nfs/dbraw/zinc/24/67/37/402246737.db2.gz OOVOQSCXSIBQAS-SWLSCSKDSA-N -1 0 316.382 2.360 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1ccc(Br)cn1 ZINC000071280142 402271808 /nfs/dbraw/zinc/27/18/08/402271808.db2.gz FEOIIGRMOBHIIJ-IUCAKERBSA-N -1 0 313.151 2.139 50 0 DEAARM Cc1[nH]nc(NC(=O)c2nccnc2C(=O)[O-])c1-c1ccccc1 ZINC000071279180 402271860 /nfs/dbraw/zinc/27/18/60/402271860.db2.gz BEXZATVDFKSAJR-UHFFFAOYSA-N -1 0 323.312 2.126 50 0 DEAARM O=S(=O)([N-]c1cccnc1-n1cccn1)c1cccc(F)c1 ZINC000071859405 402289727 /nfs/dbraw/zinc/28/97/27/402289727.db2.gz LUHCVNCEOOYLHP-UHFFFAOYSA-N -1 0 318.333 2.207 50 0 DEAARM C[C@H](CNC(=O)c1cccn1Cc1ccccc1)CC(=O)[O-] ZINC000225478550 402318353 /nfs/dbraw/zinc/31/83/53/402318353.db2.gz WMXIDECHDOVFQU-ZDUSSCGKSA-N -1 0 300.358 2.377 50 0 DEAARM O=S(=O)([N-]c1nnc[nH]1)c1ccc(SC(F)(F)F)cc1 ZINC000225549825 402321183 /nfs/dbraw/zinc/32/11/83/402321183.db2.gz CXBNQXSLOXSHGA-UHFFFAOYSA-N -1 0 324.309 2.217 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000236597991 402367349 /nfs/dbraw/zinc/36/73/49/402367349.db2.gz USBSVENCEVCGSG-CQSZACIVSA-N -1 0 321.421 2.022 50 0 DEAARM Cc1cc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(C)n1C(C)C ZINC000236706594 402376363 /nfs/dbraw/zinc/37/63/63/402376363.db2.gz URCWDADORZNHLP-ZDUSSCGKSA-N -1 0 308.378 2.002 50 0 DEAARM COc1cc(C2(C(=O)N(C)C[C@@H](C)C(=O)[O-])CC2)ccc1C ZINC000237306284 402403209 /nfs/dbraw/zinc/40/32/09/402403209.db2.gz ZBIPRRNETGUMQY-GFCCVEGCSA-N -1 0 305.374 2.214 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1csc(-c2ccoc2)n1 ZINC000238070312 402436155 /nfs/dbraw/zinc/43/61/55/402436155.db2.gz OIZVJBHIZXPNTH-NSHDSACASA-N -1 0 306.343 2.021 50 0 DEAARM O=C([O-])CN(C(=O)c1cc2ccccc2o1)C1CCOCC1 ZINC000238112872 402438581 /nfs/dbraw/zinc/43/85/81/402438581.db2.gz FGTMMZNAQLWPMC-UHFFFAOYSA-N -1 0 303.314 2.139 50 0 DEAARM CCCO[C@@H]1CCCN(C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)C1 ZINC000244899561 402451625 /nfs/dbraw/zinc/45/16/25/402451625.db2.gz ZLYHBNFOXMLLSN-GFCCVEGCSA-N -1 0 308.378 2.361 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)[C@H]2OCCc3ccccc32)c1 ZINC000238217381 402440663 /nfs/dbraw/zinc/44/06/63/402440663.db2.gz ZTOYCFRYNRKPAW-INIZCTEOSA-N -1 0 311.337 2.315 50 0 DEAARM CN(Cc1[nH]nc2c1CCC2)Cc1nc(=O)c2sccc2[n-]1 ZINC000241081874 402443058 /nfs/dbraw/zinc/44/30/58/402443058.db2.gz YRVIOQLCKJPZAN-UHFFFAOYSA-N -1 0 315.402 2.241 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(Cl)cc3cccnc32)C1 ZINC000178273612 402478914 /nfs/dbraw/zinc/47/89/14/402478914.db2.gz AMRIZCNEEZYYLC-JTQLQIEISA-N -1 0 304.733 2.435 50 0 DEAARM C[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc(Cl)s1 ZINC000191010175 402636257 /nfs/dbraw/zinc/63/62/57/402636257.db2.gz BESJNDBSFCOTDC-IUCAKERBSA-N -1 0 317.794 2.207 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1ccc2c(c1)CCCC2 ZINC000263185727 402747110 /nfs/dbraw/zinc/74/71/10/402747110.db2.gz RZNBHKWISCWDNL-HNNXBMFYSA-N -1 0 303.358 2.020 50 0 DEAARM Cc1nc(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(C)s1 ZINC000263298289 402755783 /nfs/dbraw/zinc/75/57/83/402755783.db2.gz YRBVDWTXOIXZDV-GFCCVEGCSA-N -1 0 304.371 2.186 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)s1 ZINC000263567360 402781953 /nfs/dbraw/zinc/78/19/53/402781953.db2.gz GNLXWZNRIUBMAG-NSHDSACASA-N -1 0 309.387 2.478 50 0 DEAARM COc1cc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000263961892 402824770 /nfs/dbraw/zinc/82/47/70/402824770.db2.gz KPDYEWLKLBSRAY-GFUIURDCSA-N -1 0 319.357 2.040 50 0 DEAARM CCO[C@H]1C[C@@](NC(=O)c2cc(C(C)C)on2)(C(=O)[O-])C1(C)C ZINC000263536146 286505261 /nfs/dbraw/zinc/50/52/61/286505261.db2.gz OQSZAUFNOLKFEP-BLLLJJGKSA-N -1 0 324.377 2.186 50 0 DEAARM CNC(=O)[C@H](CC(C)C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118780815 424852492 /nfs/dbraw/zinc/85/24/92/424852492.db2.gz XNLDYZVGWBVMDF-NSHDSACASA-N -1 0 321.402 2.007 50 0 DEAARM Cc1c(CNC(=O)c2ccc3[n-]c(=S)oc3c2)cnn1C ZINC000119155573 424852576 /nfs/dbraw/zinc/85/25/76/424852576.db2.gz PVZMFODZDGIERT-UHFFFAOYSA-N -1 0 302.359 2.088 50 0 DEAARM CC(C)(CNC(=O)c1ccc(C(=O)[O-])cn1)[C@H]1CCCCO1 ZINC000649453376 425019511 /nfs/dbraw/zinc/01/95/11/425019511.db2.gz BXZQPPUMYUPQEC-CYBMUJFWSA-N -1 0 306.362 2.105 50 0 DEAARM Cc1ccc(C(N)=O)cc1NC(=O)C1(C(=O)[O-])CC2(CCC2)C1 ZINC000659118935 425529307 /nfs/dbraw/zinc/52/93/07/425529307.db2.gz MEJIDYGKYPPJSK-UHFFFAOYSA-N -1 0 316.357 2.068 50 0 DEAARM CC1(C)COc2c1cccc2C(=O)N1CCC(C(=O)[O-])CC1 ZINC000656232220 425739913 /nfs/dbraw/zinc/73/99/13/425739913.db2.gz PCUJBRRFZMLALX-UHFFFAOYSA-N -1 0 303.358 2.293 50 0 DEAARM Cc1ccc2[nH]c(CNC(=O)[C@@H](C(=O)[O-])C(C)(C)C)nc2c1 ZINC000663040655 425784923 /nfs/dbraw/zinc/78/49/23/425784923.db2.gz DMKJVOQALIGKLX-ZDUSSCGKSA-N -1 0 303.362 2.234 50 0 DEAARM CC(=O)Nc1cc(C(=O)NC2(C(=O)[O-])CCCCC2)ccc1F ZINC000236756673 278185147 /nfs/dbraw/zinc/18/51/47/278185147.db2.gz UDYJDIRBZWIORM-UHFFFAOYSA-N -1 0 322.336 2.301 50 0 DEAARM CC(C)(C)n1nc(C(=O)NCC(C)(C)C(=O)[O-])cc1C1CC1 ZINC000236760969 278584510 /nfs/dbraw/zinc/58/45/10/278584510.db2.gz KAZLHFYJVCSGEL-UHFFFAOYSA-N -1 0 307.394 2.356 50 0 DEAARM CC[C@@H](C)N(CC(=O)[O-])CC(=O)N1CCSc2ccccc21 ZINC000237074902 280101757 /nfs/dbraw/zinc/10/17/57/280101757.db2.gz QKUOJAOBJAKLFB-GFCCVEGCSA-N -1 0 322.430 2.310 50 0 DEAARM CC[C@H]1c2ccsc2CCN1C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000236958589 288379736 /nfs/dbraw/zinc/37/97/36/288379736.db2.gz JKJDXZDZECBZQW-STQMWFEESA-N -1 0 322.430 2.133 50 0 DEAARM COc1cccc(C2(C(=O)N3CC[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000237344359 295290571 /nfs/dbraw/zinc/29/05/71/295290571.db2.gz SQUIKRNXFYCRDD-ZDUSSCGKSA-N -1 0 317.385 2.440 50 0 DEAARM COc1cccc(CCC(=O)N2CCC[C@@H]2CC(=O)[O-])c1F ZINC000262901846 295293393 /nfs/dbraw/zinc/29/33/93/295293393.db2.gz ITWIIMAYLBVYBC-GFCCVEGCSA-N -1 0 309.337 2.233 50 0 DEAARM Cc1cc(C)nc(NC(=O)c2c([O-])c3ccccc3[nH]c2=O)c1 ZINC000006493747 301265300 /nfs/dbraw/zinc/26/53/00/301265300.db2.gz BDCRBIKRLBKTAW-UHFFFAOYSA-N -1 0 309.325 2.498 50 0 DEAARM Cc1ccccc1NC(=S)N[N-]S(=O)(=O)c1ccccc1 ZINC000006614683 302106282 /nfs/dbraw/zinc/10/62/82/302106282.db2.gz UNBCYIPBRJWCSD-UHFFFAOYSA-N -1 0 321.427 2.175 50 0 DEAARM Cc1ccnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1 ZINC000100621306 302278245 /nfs/dbraw/zinc/27/82/45/302278245.db2.gz MIXAZKKXOVPTAX-UHFFFAOYSA-N -1 0 321.336 2.219 50 0 DEAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000037437252 302895804 /nfs/dbraw/zinc/89/58/04/302895804.db2.gz KEVRUXLXDBNLCW-QMMMGPOBSA-N -1 0 305.161 2.411 50 0 DEAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2cc(C(=O)[O-])ccc21 ZINC000036353792 302920732 /nfs/dbraw/zinc/92/07/32/302920732.db2.gz NOTCZXMGIJURPW-AWEZNQCLSA-N -1 0 302.330 2.098 50 0 DEAARM CCn1cc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)[O-])cn1 ZINC000097228685 337382332 /nfs/dbraw/zinc/38/23/32/337382332.db2.gz JAZIFBZKSGOOGU-FZMZJTMJSA-N -1 0 301.346 2.095 50 0 DEAARM O=C([O-])C1(C(=O)Nc2ccc(F)c(Br)c2)CC1 ZINC000165019860 501069191 /nfs/dbraw/zinc/06/91/91/501069191.db2.gz WQNSHRBLDZTEQA-UHFFFAOYSA-N -1 0 302.099 2.392 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2c(F)cccc2F)C1 ZINC000253370784 534519022 /nfs/dbraw/zinc/51/90/22/534519022.db2.gz WCGMEJAIYJFJKF-MXWKQRLJSA-N -1 0 309.312 2.392 50 0 DEAARM CCC(=O)c1ccc([O-])c(NC(=O)CCCNC(=O)C2CC2)c1 ZINC000408516936 528460811 /nfs/dbraw/zinc/46/08/11/528460811.db2.gz KATCXBDMSDRDKS-UHFFFAOYSA-N -1 0 318.373 2.230 50 0 DEAARM O=C([O-])[C@H](CC(F)F)NC(=O)c1cnc(-c2ccco2)s1 ZINC000262863041 639903944 /nfs/dbraw/zinc/90/39/44/639903944.db2.gz AUSICIDABLBQFO-LURJTMIESA-N -1 0 316.285 2.241 50 0 DEAARM O=C([O-])CSc1cncc(N2CCc3ccccc3C2)n1 ZINC000032590264 683878441 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CCCn1ncc(C(=O)NCc2ccc(C(=O)[O-])s2)c1C ZINC000095500980 185374686 /nfs/dbraw/zinc/37/46/86/185374686.db2.gz GNXDEXPINVKJBG-UHFFFAOYSA-N -1 0 307.375 2.291 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccncc2)[C@H]1C(=O)[O-] ZINC000096675784 185385358 /nfs/dbraw/zinc/38/53/58/185385358.db2.gz IDUXXYDWGCYHLJ-OLZOCXBDSA-N -1 0 306.362 2.334 50 0 DEAARM C[C@@H](NC(=O)c1ccncc1[O-])c1noc(Cc2ccccc2)n1 ZINC000095449959 185368609 /nfs/dbraw/zinc/36/86/09/185368609.db2.gz JRPMIEZJJFZLFY-LLVKDONJSA-N -1 0 324.340 2.252 50 0 DEAARM Cc1ccc(C[C@@H](CNC(=O)c2ccc(C)nc2)C(=O)[O-])cc1 ZINC000097018841 185397973 /nfs/dbraw/zinc/39/79/73/185397973.db2.gz JPYPCOCSVRQPGP-INIZCTEOSA-N -1 0 312.369 2.372 50 0 DEAARM O=C([O-])CN(C(=O)c1ccc2c(c1)CCCC2)C1CCOCC1 ZINC000238113746 282382448 /nfs/dbraw/zinc/38/24/48/282382448.db2.gz WLVHLARJXQIVEN-UHFFFAOYSA-N -1 0 317.385 2.271 50 0 DEAARM C[C@@H](C(=O)[O-])N(c1cc(Cl)ccc1Cl)S(C)(=O)=O ZINC000004777325 295802074 /nfs/dbraw/zinc/80/20/74/295802074.db2.gz 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C[C@H]1C[C@H](C(=O)N(CCC(=O)[O-])Cc2ccccc2)CCO1 ZINC000683297995 542424462 /nfs/dbraw/zinc/42/44/62/542424462.db2.gz QZUJILTXZRWNFC-DZGCQCFKSA-N -1 0 305.374 2.305 50 0 DEAARM Cc1ccc(C)c(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000237641107 257238340 /nfs/dbraw/zinc/23/83/40/257238340.db2.gz ZMAMYYVCNIUQKS-UHFFFAOYSA-N -1 0 305.374 2.399 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000252485821 257258286 /nfs/dbraw/zinc/25/82/86/257258286.db2.gz ATVGIRGKQLBYCX-DYNIEEOBSA-N -1 0 315.373 2.487 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)n1 ZINC000124327224 195629157 /nfs/dbraw/zinc/62/91/57/195629157.db2.gz OFTAWIWQZDAHGI-WDEREUQCSA-N -1 0 320.345 2.400 50 0 DEAARM COC(=O)c1cc(I)c([O-])cc1Cl ZINC000090513245 292001857 /nfs/dbraw/zinc/00/18/57/292001857.db2.gz QXEBRCLTJSLHPL-UHFFFAOYSA-N -1 0 312.490 2.437 50 0 DEAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)C/C=C\c2ccc(F)cc2)C1 ZINC000562920517 292016739 /nfs/dbraw/zinc/01/67/39/292016739.db2.gz TXINIOSWCGPTGS-BAHPRDJBSA-N -1 0 321.348 2.179 50 0 DEAARM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000261641340 145213045 /nfs/dbraw/zinc/21/30/45/145213045.db2.gz ACNNHGRPTQPDDR-RISCZKNCSA-N -1 0 313.275 2.192 50 0 DEAARM NC(=O)Nc1cccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1 ZINC000262104330 145262112 /nfs/dbraw/zinc/26/21/12/145262112.db2.gz DACQCAANBGGRDY-CYBMUJFWSA-N -1 0 319.361 2.037 50 0 DEAARM CO[C@@H](C)C(=O)Nc1ccc(OCC(=O)[O-])c2ccccc12 ZINC000262534443 145291061 /nfs/dbraw/zinc/29/10/61/145291061.db2.gz TWQRJANJQWWVGD-JTQLQIEISA-N -1 0 303.314 2.277 50 0 DEAARM C[C@@H](C(=O)[O-])C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000263073212 145322689 /nfs/dbraw/zinc/32/26/89/145322689.db2.gz GXOZBUURHRMIOQ-SNVBAGLBSA-N -1 0 323.776 2.482 50 0 DEAARM C[C@H](C(=O)[O-])C(=O)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 ZINC000263073210 145323021 /nfs/dbraw/zinc/32/30/21/145323021.db2.gz GXOZBUURHRMIOQ-JTQLQIEISA-N -1 0 323.776 2.482 50 0 DEAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000002958471 401720378 /nfs/dbraw/zinc/72/03/78/401720378.db2.gz GCDJCSFKJZMGGT-UONOGXRCSA-N -1 0 316.357 2.171 50 0 DEAARM O=C(Nc1ccc(Cn2cncn2)cc1)c1c([O-])cccc1F ZINC000127102904 401720483 /nfs/dbraw/zinc/72/04/83/401720483.db2.gz WHXATEOCVRBZQV-UHFFFAOYSA-N -1 0 312.304 2.423 50 0 DEAARM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccn1)OCCN2C ZINC000006779683 401732862 /nfs/dbraw/zinc/73/28/62/401732862.db2.gz VNZZRTMIBQUXNM-UHFFFAOYSA-N -1 0 319.386 2.019 50 0 DEAARM C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1ccccc1 ZINC000006848303 401733437 /nfs/dbraw/zinc/73/34/37/401733437.db2.gz WYEFFCZWDVLIFG-JTQLQIEISA-N -1 0 321.354 2.130 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 ZINC000007405077 401739507 /nfs/dbraw/zinc/73/95/07/401739507.db2.gz SNKFMGXMZJCUFA-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM CC[C@@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001322709 401705407 /nfs/dbraw/zinc/70/54/07/401705407.db2.gz LJYAPZCCTUOXCS-SNVBAGLBSA-N -1 0 300.358 2.182 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccn2)[C@@H]1c1ccsc1 ZINC000072275697 401705457 /nfs/dbraw/zinc/70/54/57/401705457.db2.gz BXTNSAYFBJLBHM-UKRRQHHQSA-N -1 0 316.382 2.360 50 0 DEAARM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1cccs1 ZINC000013278378 401798362 /nfs/dbraw/zinc/79/83/62/401798362.db2.gz VJSYFFDAWCSKDJ-UHFFFAOYSA-N -1 0 309.368 2.198 50 0 DEAARM CC[C@H]1C[C@]1(NC(=O)C1=C[C@@H](CC)C[C@@H]2C(=O)CC[C@@H]12)C(=O)[O-] ZINC000013408443 401799379 /nfs/dbraw/zinc/79/93/79/401799379.db2.gz FMGBNISRFNDECK-YRVKDEGTSA-N -1 0 319.401 2.308 50 0 DEAARM COc1cc(C(=O)[O-])ccc1O[C@H](C)C(=O)Nc1cc(C)on1 ZINC000013420494 401800046 /nfs/dbraw/zinc/80/00/46/401800046.db2.gz ITSZLKGIIDFCFJ-SECBINFHSA-N -1 0 320.301 2.096 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)N1CCc2ccccc21 ZINC000013681800 401803119 /nfs/dbraw/zinc/80/31/19/401803119.db2.gz DDVFYOSSXIJRGR-HNNXBMFYSA-N -1 0 310.353 2.455 50 0 DEAARM CN(C)C(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000013849412 401804351 /nfs/dbraw/zinc/80/43/51/401804351.db2.gz QAIQESRBMHWRPZ-UHFFFAOYSA-N -1 0 324.427 2.180 50 0 DEAARM O=C(c1cnc2nc(C(F)(F)F)nn2c1)c1ccccc1[O-] ZINC000009386513 401762335 /nfs/dbraw/zinc/76/23/35/401762335.db2.gz ZBSISRLQEGGJKR-UHFFFAOYSA-N -1 0 308.219 2.080 50 0 DEAARM CS(=O)(=O)c1ccc(N2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000015443230 401817780 /nfs/dbraw/zinc/81/77/80/401817780.db2.gz CCCYGCUBXSBKOP-UHFFFAOYSA-N -1 0 317.794 2.045 50 0 DEAARM CCNC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000030521826 401864089 /nfs/dbraw/zinc/86/40/89/401864089.db2.gz HOIZOXLQNJHAQD-NEPJUHHUSA-N -1 0 316.357 2.042 50 0 DEAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCCC2)c2cc(C(=O)[O-])ccc21 ZINC000036359084 401905153 /nfs/dbraw/zinc/90/51/53/401905153.db2.gz IDCXNYOBTJDCRL-HNNXBMFYSA-N -1 0 316.357 2.488 50 0 DEAARM CC(C)(C)OC(=O)[C@@H]1N[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000039351853 401924019 /nfs/dbraw/zinc/92/40/19/401924019.db2.gz AVCAAQIORRKXMZ-GXTWGEPZSA-N -1 0 316.357 2.150 50 0 DEAARM COCc1cccc([C@@H](C(=O)[O-])N(C)Cc2cccnc2)c1 ZINC000095368628 402029300 /nfs/dbraw/zinc/02/93/00/402029300.db2.gz MYBUYNNISRYFTP-INIZCTEOSA-N -1 0 300.358 2.486 50 0 DEAARM COc1cccc(SCC(=O)N(CCC(=O)[O-])C2CC2)c1 ZINC000095969860 402038342 /nfs/dbraw/zinc/03/83/42/402038342.db2.gz WUFIEQUTTVOFOU-UHFFFAOYSA-N -1 0 309.387 2.253 50 0 DEAARM CCn1nc(C)cc1C(=O)N[C@H](CC(=O)[O-])c1ccccc1C ZINC000095989818 402043132 /nfs/dbraw/zinc/04/31/32/402043132.db2.gz RMMDGAXLPPXPKW-CQSZACIVSA-N -1 0 315.373 2.466 50 0 DEAARM O=S(=O)([N-]c1ncn(-c2ccccc2)n1)c1cccc(F)c1 ZINC000096007309 402046345 /nfs/dbraw/zinc/04/63/45/402046345.db2.gz XMXKAADUPPGLKG-UHFFFAOYSA-N -1 0 318.333 2.207 50 0 DEAARM CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000055255890 402079107 /nfs/dbraw/zinc/07/91/07/402079107.db2.gz XPBDUBSXEGHTDO-ZDUSSCGKSA-N -1 0 324.764 2.378 50 0 DEAARM Cc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1O ZINC000096427083 402084197 /nfs/dbraw/zinc/08/41/97/402084197.db2.gz VSEMGMQBRWMDPZ-UHFFFAOYSA-N -1 0 303.343 2.378 50 0 DEAARM CN(Cc1ccc2nonc2c1)C(=O)c1ccc(C(=O)[O-])s1 ZINC000097288807 402121113 /nfs/dbraw/zinc/12/11/13/402121113.db2.gz KJRATBOMZJTZOM-UHFFFAOYSA-N -1 0 317.326 2.255 50 0 DEAARM Cc1nc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 ZINC000096496269 402096995 /nfs/dbraw/zinc/09/69/95/402096995.db2.gz GXIOJWJYDQXPQV-UHFFFAOYSA-N -1 0 308.146 2.486 50 0 DEAARM CC(C)n1ccnc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000097095269 402106765 /nfs/dbraw/zinc/10/67/65/402106765.db2.gz CLXOZSPROZQASO-UHFFFAOYSA-N -1 0 317.418 2.394 50 0 DEAARM Cc1nc(C)c(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)o1 ZINC000123098303 402110185 /nfs/dbraw/zinc/11/01/85/402110185.db2.gz CXVHFBLTFLOGQD-UHFFFAOYSA-N -1 0 304.302 2.316 50 0 DEAARM CC[C@H](C)[C@@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC000098038005 402135245 /nfs/dbraw/zinc/13/52/45/402135245.db2.gz OSMDYMQYNMGAOT-MEDUHNTESA-N -1 0 318.373 2.265 50 0 DEAARM CC[C@@H](C)Oc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347920 402144769 /nfs/dbraw/zinc/14/47/69/402144769.db2.gz WEVYQNOECMTEGQ-ZWNOBZJWSA-N -1 0 314.345 2.439 50 0 DEAARM CC[C@H](C(=O)N(C)C[C@@H](C)c1nnn[n-]1)c1ccc(F)cc1 ZINC000124517059 402183903 /nfs/dbraw/zinc/18/39/03/402183903.db2.gz TZQYBFKVQIZOQV-MFKMUULPSA-N -1 0 305.357 2.095 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2sccc2Br)C1 ZINC000104286884 402202041 /nfs/dbraw/zinc/20/20/41/402202041.db2.gz LJNYSWDUNGQIRQ-NSHDSACASA-N -1 0 318.192 2.447 50 0 DEAARM Cc1oc2ncnc([N-]S(=O)(=O)c3cccnc3)c2c1C ZINC000153675643 402162031 /nfs/dbraw/zinc/16/20/31/402162031.db2.gz YVGQLXNJYPQXFI-UHFFFAOYSA-N -1 0 304.331 2.035 50 0 DEAARM CCn1c(=O)c2ccc(C(=O)NCCC(C)C)cc2[n-]c1=S ZINC000102175090 402163542 /nfs/dbraw/zinc/16/35/42/402163542.db2.gz CSEZADAIPILCQO-UHFFFAOYSA-N -1 0 319.430 2.481 50 0 DEAARM COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000069492064 402227094 /nfs/dbraw/zinc/22/70/94/402227094.db2.gz QOXBCINYYCMQBC-HIFRSBDPSA-N -1 0 309.337 2.227 50 0 DEAARM CC(C)(C)CC(=O)[N-]S(=O)(=O)c1cccc2ncccc21 ZINC000069848915 402247311 /nfs/dbraw/zinc/24/73/11/402247311.db2.gz WJCKVTAWTNITAX-UHFFFAOYSA-N -1 0 306.387 2.476 50 0 DEAARM CCc1nnc([N-]S(=O)(=O)c2cccc(COC)c2)s1 ZINC000071195364 402271558 /nfs/dbraw/zinc/27/15/58/402271558.db2.gz IXGOJBLSQYATIY-UHFFFAOYSA-N -1 0 313.404 2.048 50 0 DEAARM COc1ccc(-c2cnn3c2ncc(C(=O)[O-])c3C)cc1OC ZINC000071279112 402271985 /nfs/dbraw/zinc/27/19/85/402271985.db2.gz FJHABFIODQBQMC-UHFFFAOYSA-N -1 0 313.313 2.420 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)c(F)c1 ZINC000195579777 402273380 /nfs/dbraw/zinc/27/33/80/402273380.db2.gz CTJHRBGQQNAOSB-UHFFFAOYSA-N -1 0 300.311 2.240 50 0 DEAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071405193 402273839 /nfs/dbraw/zinc/27/38/39/402273839.db2.gz ICCVCQBJZHBQOZ-SFYZADRCSA-N -1 0 313.151 2.284 50 0 DEAARM O=C([O-])C1(NC(=O)c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000219038261 402297130 /nfs/dbraw/zinc/29/71/30/402297130.db2.gz JVTVLQJTLPRRNC-UHFFFAOYSA-N -1 0 317.263 2.069 50 0 DEAARM Cc1cnc([N-]S(=O)(=O)CCOCc2ccccc2)s1 ZINC000223454808 402311058 /nfs/dbraw/zinc/31/10/58/402311058.db2.gz XCNRSJWBBXFDML-UHFFFAOYSA-N -1 0 312.416 2.410 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)c2cccc3c[nH]nc32)c1 ZINC000225553402 402320999 /nfs/dbraw/zinc/32/09/99/402320999.db2.gz JBLRAHGDKZGYDR-UHFFFAOYSA-N -1 0 309.325 2.234 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000236597523 402367304 /nfs/dbraw/zinc/36/73/04/402367304.db2.gz CLIRUELPJNWPOR-OAHLLOKOSA-N -1 0 321.421 2.164 50 0 DEAARM CC(C)(C)c1nc(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)cs1 ZINC000236627567 402369271 /nfs/dbraw/zinc/36/92/71/402369271.db2.gz STCDHOVJPXFYBA-HNNXBMFYSA-N -1 0 310.419 2.306 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1 ZINC000238125401 402438644 /nfs/dbraw/zinc/43/86/44/402438644.db2.gz RRLVJXLVBSAUKE-OAHLLOKOSA-N -1 0 315.300 2.144 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2ccc3c(c2)CCC(=O)N3)cc1 ZINC000238134757 402439130 /nfs/dbraw/zinc/43/91/30/402439130.db2.gz HZVFPLCNQTYZHP-UHFFFAOYSA-N -1 0 324.336 2.200 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2OCCc3ccccc32)c1 ZINC000238216658 402440495 /nfs/dbraw/zinc/44/04/95/402440495.db2.gz ZTOYCFRYNRKPAW-MRXNPFEDSA-N -1 0 311.337 2.315 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2c[nH]nc2-c2ccccc2Cl)C1 ZINC000178268487 402478256 /nfs/dbraw/zinc/47/82/56/402478256.db2.gz UNQOOKXWSPLIQQ-VIFPVBQESA-N -1 0 319.748 2.277 50 0 DEAARM C[C@H](CN(C)C(=O)c1cc2cc(F)ccc2s1)c1nnn[n-]1 ZINC000187294624 402492230 /nfs/dbraw/zinc/49/22/30/402492230.db2.gz YTJJBUPHXXNBBN-MRVPVSSYSA-N -1 0 319.365 2.429 50 0 DEAARM O=C([O-])c1ccc(C(=O)NC[C@H]2CCOc3ccccc32)cn1 ZINC000171000902 402548619 /nfs/dbraw/zinc/54/86/19/402548619.db2.gz CQEXHZDITWZDCE-LLVKDONJSA-N -1 0 312.325 2.076 50 0 DEAARM CC[C@H](NC(=O)c1cc(C)n(-c2ccccc2Cl)n1)C(=O)[O-] ZINC000190909955 402631045 /nfs/dbraw/zinc/63/10/45/402631045.db2.gz UKFUVNHLPQSIIC-NSHDSACASA-N -1 0 321.764 2.427 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000261661425 402715462 /nfs/dbraw/zinc/71/54/62/402715462.db2.gz GEQFSKWKQYRZBN-LLVKDONJSA-N -1 0 317.320 2.153 50 0 DEAARM COc1ccsc1S(=O)(=O)[N-]c1noc(C(C)(C)C)n1 ZINC000182939956 402728260 /nfs/dbraw/zinc/72/82/60/402728260.db2.gz HCBLSUBSZBOGOV-UHFFFAOYSA-N -1 0 317.392 2.238 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1ccnc(C2CC2)c1 ZINC000263574982 402783346 /nfs/dbraw/zinc/78/33/46/402783346.db2.gz OGKLTKDJUKVNPI-MRXNPFEDSA-N -1 0 310.353 2.385 50 0 DEAARM C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000195542085 402850833 /nfs/dbraw/zinc/85/08/33/402850833.db2.gz RNJZSPFHQIIFTH-HGNGGELXSA-N -1 0 301.264 2.398 50 0 DEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)CCCO3)n1 ZINC000273494967 403009650 /nfs/dbraw/zinc/00/96/50/403009650.db2.gz UCCCSHULMYVWNW-UHFFFAOYSA-N -1 0 319.386 2.219 50 0 DEAARM Cc1c2cccc(Cl)c2oc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268977140 403122072 /nfs/dbraw/zinc/12/20/72/403122072.db2.gz KOQAYPPHRCNDSE-NSHDSACASA-N -1 0 323.732 2.320 50 0 DEAARM CCC[C@H](CC(=O)[O-])NC(=O)Cc1ccc2[nH]c(C)nc2c1 ZINC000426392817 405356886 /nfs/dbraw/zinc/35/68/86/405356886.db2.gz MYVPZJAMEXRGAE-GFCCVEGCSA-N -1 0 303.362 2.173 50 0 DEAARM Cc1ccc(S[C@H](C)C(=O)NC2(C(=O)[O-])CCOCC2)cc1 ZINC000455878307 405458228 /nfs/dbraw/zinc/45/82/28/405458228.db2.gz QPISINGQUOFHMP-GFCCVEGCSA-N -1 0 323.414 2.226 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CSc3ccccc3O2)o1 ZINC000299745955 229387691 /nfs/dbraw/zinc/38/76/91/229387691.db2.gz UGZPMYRORFMOTO-LBPRGKRZSA-N -1 0 319.338 2.147 50 0 DEAARM Cn1ncc(C(=O)N2CCC[C@@H](CC(=O)[O-])CC2)c1C1CC1 ZINC000299746638 229388668 /nfs/dbraw/zinc/38/86/68/229388668.db2.gz YTRVSIQOMVSNAV-LLVKDONJSA-N -1 0 305.378 2.015 50 0 DEAARM COC(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000048383550 424832884 /nfs/dbraw/zinc/83/28/84/424832884.db2.gz FDXXLDBOZDLWIV-CHWSQXEVSA-N -1 0 318.329 2.470 50 0 DEAARM CC(=O)Nc1ccc(F)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000044830396 424814023 /nfs/dbraw/zinc/81/40/23/424814023.db2.gz VKTPYLNMWGTWPK-NEPJUHHUSA-N -1 0 320.320 2.390 50 0 DEAARM Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)ccc1Cl ZINC000102099820 424847497 /nfs/dbraw/zinc/84/74/97/424847497.db2.gz HAQHXXYVHFLMIV-NFFDBFGFSA-N -1 0 319.744 2.019 50 0 DEAARM O=C([O-])C1(C(=O)N2CCc3c(Br)cccc3C2)CC1 ZINC000118994341 424852540 /nfs/dbraw/zinc/85/25/40/424852540.db2.gz OTZRDXNSLJCWLF-UHFFFAOYSA-N -1 0 324.174 2.199 50 0 DEAARM O=C([O-])Cn1ccc(NC(=O)c2cc3cccc(F)c3o2)n1 ZINC000123029470 424855026 /nfs/dbraw/zinc/85/50/26/424855026.db2.gz YQMWHQPYNDXBAM-UHFFFAOYSA-N -1 0 303.249 2.105 50 0 DEAARM CN(Cc1ccc(C(=O)[O-])cc1)C(=O)c1ncn(C(C)(C)C)n1 ZINC000649245077 424976334 /nfs/dbraw/zinc/97/63/34/424976334.db2.gz MREUADAHSBDMKA-UHFFFAOYSA-N -1 0 316.361 2.004 50 0 DEAARM O=C([O-])CN1CC[C@@H](Oc2c(F)cc(Cl)cc2Cl)C1=O ZINC000663220661 425816918 /nfs/dbraw/zinc/81/69/18/425816918.db2.gz UCEDAYQZUBDAJY-SECBINFHSA-N -1 0 322.119 2.197 50 0 DEAARM CC(C)[C@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 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CCN(CCC(=O)[O-])C(=O)/C=C/c1ccc(OC)c(OC)c1 ZINC000075249364 401755953 /nfs/dbraw/zinc/75/59/53/401755953.db2.gz VCVDILFQFDKRIQ-SOFGYWHQSA-N -1 0 307.346 2.040 50 0 DEAARM COc1cccc(CNC(=O)c2c([O-])c3ccccc3[nH]c2=O)c1 ZINC000012414653 401785008 /nfs/dbraw/zinc/78/50/08/401785008.db2.gz KIYTXQRUVLWDCN-UHFFFAOYSA-N -1 0 324.336 2.172 50 0 DEAARM O=C([O-])c1cc(Cl)ccc1OCC(=O)NCC(F)(F)F ZINC000013083685 401795906 /nfs/dbraw/zinc/79/59/06/401795906.db2.gz FAWHTOCYHOUZPT-UHFFFAOYSA-N -1 0 311.643 2.096 50 0 DEAARM O=C([O-])CCN1C(=O)COc2ccc(-c3cscn3)cc21 ZINC000031869921 401874719 /nfs/dbraw/zinc/87/47/19/401874719.db2.gz KNRCDINOHVDZMQ-UHFFFAOYSA-N -1 0 304.327 2.010 50 0 DEAARM O=C([O-])Cc1csc(-c2cccc(CN3CCOCC3)c2)n1 ZINC000031945004 401875333 /nfs/dbraw/zinc/87/53/33/401875333.db2.gz HGAJWWRMRJPESB-UHFFFAOYSA-N -1 0 318.398 2.269 50 0 DEAARM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2oc3ccccc3c2C)C1=O ZINC000032997818 401887760 /nfs/dbraw/zinc/88/77/60/401887760.db2.gz GCAXHSAOTRGFIO-MRXNPFEDSA-N -1 0 315.329 2.107 50 0 DEAARM O=C([O-])C1CCC(NC(=O)COc2ccccc2Cl)CC1 ZINC000037561416 401915008 /nfs/dbraw/zinc/91/50/08/401915008.db2.gz ULGZQWCNCTWISG-UHFFFAOYSA-N -1 0 311.765 2.478 50 0 DEAARM Cc1n[nH]cc1S(=O)(=O)[N-]c1cc(C(F)(F)F)ccc1O ZINC000089750273 401960775 /nfs/dbraw/zinc/96/07/75/401960775.db2.gz DWMHHJQXDGTELK-UHFFFAOYSA-N -1 0 321.280 2.243 50 0 DEAARM COc1ccc(NC(=O)c2c[n-]c3nc(C)ccc3c2=O)cc1 ZINC000049002059 402010843 /nfs/dbraw/zinc/01/08/43/402010843.db2.gz KJHNCYKMMRXSPZ-UHFFFAOYSA-N -1 0 309.325 2.492 50 0 DEAARM CN(Cc1ccccn1)[C@@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000095387501 402031847 /nfs/dbraw/zinc/03/18/47/402031847.db2.gz YQKWCLWBPHRWQX-OAHLLOKOSA-N -1 0 300.314 2.068 50 0 DEAARM CCCNC(=O)[C@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000051443472 402034510 /nfs/dbraw/zinc/03/45/10/402034510.db2.gz CPMGCISKMGEWGX-LBPRGKRZSA-N -1 0 324.808 2.424 50 0 DEAARM COc1ccc(NC(=O)Cc2nc(=O)c3sccc3[n-]2)cc1 ZINC000053847768 402059999 /nfs/dbraw/zinc/05/99/99/402059999.db2.gz DSNJOMDCURZGCP-UHFFFAOYSA-N -1 0 315.354 2.174 50 0 DEAARM C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095976993 402040541 /nfs/dbraw/zinc/04/05/41/402040541.db2.gz KWTJAQQGHVISAR-CHWSQXEVSA-N -1 0 321.425 2.034 50 0 DEAARM CC(=O)Nc1ccc(Cl)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000055255886 402078601 /nfs/dbraw/zinc/07/86/01/402078601.db2.gz XPBDUBSXEGHTDO-CYBMUJFWSA-N -1 0 324.764 2.378 50 0 DEAARM CC(C)[C@H](NC(=O)CCc1cn(C)c2ccccc12)C(=O)[O-] ZINC000097035333 402100939 /nfs/dbraw/zinc/10/09/39/402100939.db2.gz QUIIQOYYTKLZFB-INIZCTEOSA-N -1 0 302.374 2.336 50 0 DEAARM Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000097045067 402102002 /nfs/dbraw/zinc/10/20/02/402102002.db2.gz BZODIXCLRNSHEA-GFCCVEGCSA-N -1 0 321.421 2.435 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)N(C(=O)c1ccncc1)C1CC1 ZINC000097228632 402118908 /nfs/dbraw/zinc/11/89/08/402118908.db2.gz RAXYAWCUJBERLM-MRXNPFEDSA-N -1 0 310.353 2.382 50 0 DEAARM Cc1[nH]c(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)c(C)c1C(=O)[O-] ZINC000097610111 402128553 /nfs/dbraw/zinc/12/85/53/402128553.db2.gz ZPTVQROXEDFIRX-LLVKDONJSA-N -1 0 316.361 2.073 50 0 DEAARM CC1(C)OC(=O)C(=C([O-])Cc2cc(F)c(F)cc2F)C(=O)O1 ZINC000100083815 402139782 /nfs/dbraw/zinc/13/97/82/402139782.db2.gz COUGIGFQGFTRPG-UHFFFAOYSA-N -1 0 316.231 2.295 50 0 DEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1 ZINC000101128287 402143793 /nfs/dbraw/zinc/14/37/93/402143793.db2.gz NTDTUAFZLANFCH-CABCVRRESA-N -1 0 306.325 2.493 50 0 DEAARM CCCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000100684598 402142185 /nfs/dbraw/zinc/14/21/85/402142185.db2.gz CSFAKVGMILFBQR-CYBMUJFWSA-N -1 0 300.318 2.050 50 0 DEAARM CC[C@@H](C)NC(=O)c1ccc2c(c1)[n-]c(=S)n(CC)c2=O ZINC000102033644 402161794 /nfs/dbraw/zinc/16/17/94/402161794.db2.gz DDFYIBGYWBBVMS-SECBINFHSA-N -1 0 305.403 2.233 50 0 DEAARM COCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(C)c1C ZINC000069492097 402226925 /nfs/dbraw/zinc/22/69/25/402226925.db2.gz GJYHRETVQHQGPC-GDBMZVCRSA-N -1 0 305.374 2.314 50 0 DEAARM Cc1ccc2cnn(CCCNC(=O)CCCC(=O)[O-])c2c1 ZINC000071196039 402271415 /nfs/dbraw/zinc/27/14/15/402271415.db2.gz BMMGMWKVIMBKKH-UHFFFAOYSA-N -1 0 303.362 2.106 50 0 DEAARM Cc1ccn(-c2ccc(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)cc2)n1 ZINC000071281705 402272015 /nfs/dbraw/zinc/27/20/15/402272015.db2.gz GEPWRFGNWFRISU-ZIAGYGMSSA-N -1 0 313.357 2.476 50 0 DEAARM CC(=O)c1ccc(NC(=O)Cc2ccccc2C(=O)[O-])cc1O ZINC000071286354 402272196 /nfs/dbraw/zinc/27/21/96/402272196.db2.gz NJGLUTRRRCXFEI-UHFFFAOYSA-N -1 0 313.309 2.474 50 0 DEAARM CSCC[C@@H](NC(=O)c1cc2ccccc2n1C)C(=O)[O-] ZINC000071375966 402274042 /nfs/dbraw/zinc/27/40/42/402274042.db2.gz VDZKALSZKPCQBO-LLVKDONJSA-N -1 0 306.387 2.114 50 0 DEAARM COc1ncc([N-]S(=O)(=O)c2cc(C)c(C)cc2C)cn1 ZINC000224285777 402314002 /nfs/dbraw/zinc/31/40/02/402314002.db2.gz ZWPWDAHEYBEEQI-UHFFFAOYSA-N -1 0 307.375 2.211 50 0 DEAARM CC(C)(C)n1cc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cn1 ZINC000236762194 402380726 /nfs/dbraw/zinc/38/07/26/402380726.db2.gz AGCVXMXITIVHKP-LBPRGKRZSA-N -1 0 307.394 2.355 50 0 DEAARM COc1ccsc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000237116492 402395328 /nfs/dbraw/zinc/39/53/28/402395328.db2.gz OLHIKMKICQPJPJ-GFCCVEGCSA-N -1 0 317.366 2.408 50 0 DEAARM O=C([O-])CCN1CCO[C@@H](c2ccccc2Br)C1 ZINC000238163622 402439437 /nfs/dbraw/zinc/43/94/37/402439437.db2.gz NLSQVMHBZUQZQG-GFCCVEGCSA-N -1 0 314.179 2.297 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)C[C@@H]2CCCc3ccccc32)CCO1 ZINC000238195791 402440891 /nfs/dbraw/zinc/44/08/91/402440891.db2.gz KGICPJLIRAQWGD-LSDHHAIUSA-N -1 0 317.385 2.199 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000245246134 402453097 /nfs/dbraw/zinc/45/30/97/402453097.db2.gz JIRRNKIYARHKRO-WDNDVIMCSA-N -1 0 308.403 2.172 50 0 DEAARM Cc1cc2ccccc2n1CC(=O)[N-]S(=O)(=O)CC1CCC1 ZINC000165011157 402472098 /nfs/dbraw/zinc/47/20/98/402472098.db2.gz YYEDSXLDSKQDKM-UHFFFAOYSA-N -1 0 320.414 2.196 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCc1ccncc1 ZINC000246757855 402543771 /nfs/dbraw/zinc/54/37/71/402543771.db2.gz XXKRAUBTJGFQFU-ZNMIVQPWSA-N -1 0 302.374 2.259 50 0 DEAARM CCOc1cccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c1 ZINC000252480182 402654412 /nfs/dbraw/zinc/65/44/12/402654412.db2.gz BXNJLCCLBWUULW-UHFFFAOYSA-N -1 0 309.347 2.147 50 0 DEAARM CS[C@H](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262932803 402737206 /nfs/dbraw/zinc/73/72/06/402737206.db2.gz BMQCUZWTDPAJJS-YGRLFVJLSA-N -1 0 320.414 2.421 50 0 DEAARM Cc1csc([C@@H](NC(=O)c2cc(C(=O)[O-])ccn2)C2CC2)n1 ZINC000263390720 402765514 /nfs/dbraw/zinc/76/55/14/402765514.db2.gz GFGHLFZQDZKXIL-LBPRGKRZSA-N -1 0 317.370 2.426 50 0 DEAARM C[C@@H]1[C@H](C(=O)[O-])CCCN1C(=O)c1ccc(-n2ccnc2)cc1 ZINC000263391836 402765748 /nfs/dbraw/zinc/76/57/48/402765748.db2.gz YURAXQULBUALRV-IUODEOHRSA-N -1 0 313.357 2.198 50 0 DEAARM C[C@@H](CN(C)C(=O)c1csc2ccccc12)c1nnn[n-]1 ZINC000183426587 402766161 /nfs/dbraw/zinc/76/61/61/402766161.db2.gz BMLTXTQQVAYXEB-VIFPVBQESA-N -1 0 301.375 2.290 50 0 DEAARM COc1cc(C)c(NC(=O)c2cnc(C(=O)[O-])cn2)c(C)c1C ZINC000263522202 402777043 /nfs/dbraw/zinc/77/70/43/402777043.db2.gz HTCZDKQSBRMOPU-UHFFFAOYSA-N -1 0 315.329 2.361 50 0 DEAARM Cc1nc2cc([N-]S(=O)(=O)c3cnn(C(C)C)c3)ccc2[nH]1 ZINC000340149842 403563626 /nfs/dbraw/zinc/56/36/26/403563626.db2.gz JBMKDPMZOXQQPO-UHFFFAOYSA-N -1 0 319.390 2.450 50 0 DEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C\C(=O)N2CCO[C@H](CC(=O)[O-])C2)o1 ZINC000321404957 404074814 /nfs/dbraw/zinc/07/48/14/404074814.db2.gz LUMHGWVROIKZGK-HNUZMZNSSA-N -1 0 319.357 2.118 50 0 DEAARM CCC[C@@H]1CCc2sc(C(=O)NCc3nnn[n-]3)cc2C1 ZINC000426421719 405359205 /nfs/dbraw/zinc/35/92/05/405359205.db2.gz CMNKCQSNEOTZKC-SECBINFHSA-N -1 0 305.407 2.096 50 0 DEAARM Cc1c2cccc(C)c2n(C)c1C(=O)N[C@H]1C[C@H](C(=O)[O-])C1 ZINC000426496695 405364738 /nfs/dbraw/zinc/36/47/38/405364738.db2.gz NRJWFZBAXGJBAV-HAQNSBGRSA-N -1 0 300.358 2.388 50 0 DEAARM Cc1cccc([C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(=O)[O-])c1 ZINC000426581279 405369712 /nfs/dbraw/zinc/36/97/12/405369712.db2.gz PLAWTZTZMJFPOI-CQSZACIVSA-N -1 0 304.390 2.111 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000299750017 229392965 /nfs/dbraw/zinc/39/29/65/229392965.db2.gz MKIPVHCOFIFAHL-NXEZZACHSA-N -1 0 304.371 2.066 50 0 DEAARM CC[C@H](C)NC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001322710 287621509 /nfs/dbraw/zinc/62/15/09/287621509.db2.gz LJYAPZCCTUOXCS-JTQLQIEISA-N -1 0 300.358 2.182 50 0 DEAARM Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)ccc1Cl ZINC000102099823 424847376 /nfs/dbraw/zinc/84/73/76/424847376.db2.gz HAQHXXYVHFLMIV-LMOYCYGVSA-N -1 0 319.744 2.019 50 0 DEAARM C[C@@H](CN(C(=O)c1cnn2cccc(Cl)c12)C1CC1)C(=O)[O-] ZINC000659141363 425534851 /nfs/dbraw/zinc/53/48/51/425534851.db2.gz GFBPWVVFVOEARA-VIFPVBQESA-N -1 0 321.764 2.313 50 0 DEAARM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ncnc3c4ccccc4oc32)C1 ZINC000662895907 425759375 /nfs/dbraw/zinc/75/93/75/425759375.db2.gz JGFBVYHVYXXUJY-LSJOCFKGSA-N -1 0 313.313 2.012 50 0 DEAARM Cc1cccc(C(=O)Nc2nn3c([n-]2)nc(C)c(Cl)c3=O)c1 ZINC000009202682 281197432 /nfs/dbraw/zinc/19/74/32/281197432.db2.gz QPWBOOAPBVNLLM-UHFFFAOYSA-N -1 0 317.736 2.352 50 0 DEAARM CCn1nc(C)c(CN(C)C(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1C ZINC000008339610 288754122 /nfs/dbraw/zinc/75/41/22/288754122.db2.gz YULZLUPPXFZKSZ-UONOGXRCSA-N -1 0 319.405 2.145 50 0 DEAARM C[C@@H]1CN(Cc2ccc(C(=O)[O-])cc2)CCN1CC(F)(F)F ZINC000263573985 297030663 /nfs/dbraw/zinc/03/06/63/297030663.db2.gz NDUFUCHKAZCKSF-LLVKDONJSA-N -1 0 316.323 2.453 50 0 DEAARM Cc1cc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)sc1C(=O)[O-] ZINC000123672380 301394906 /nfs/dbraw/zinc/39/49/06/301394906.db2.gz DKCZGHWWHDERHZ-AOOOYVTPSA-N -1 0 315.416 2.175 50 0 DEAARM Cc1ccc(C(=O)[O-])cc1NC(=S)NC(=O)c1ccco1 ZINC000000310017 301533543 /nfs/dbraw/zinc/53/35/43/301533543.db2.gz QWMCKDBITBSBCW-UHFFFAOYSA-N -1 0 304.327 2.413 50 0 DEAARM Cc1ccc2c(c1)c1c3n2CCN(CS(=O)(=O)[O-])[C@@H]3CCC1 ZINC000002896040 301913146 /nfs/dbraw/zinc/91/31/46/301913146.db2.gz BGAOOKQAMZWLRX-OAHLLOKOSA-N -1 0 320.414 2.488 50 0 DEAARM Cn1cc([C@H](C(=O)[O-])[NH+]2CCCC2)c2cc(C(=O)[O-])ccc21 ZINC000036353793 302932290 /nfs/dbraw/zinc/93/22/90/302932290.db2.gz NOTCZXMGIJURPW-CQSZACIVSA-N -1 0 302.330 2.098 50 0 DEAARM Cc1occc1S([O-])=CC(=O)NCc1ccc(C)c(F)c1 ZINC000189648032 333201415 /nfs/dbraw/zinc/20/14/15/333201415.db2.gz BUDUJPBTDAOTPL-NRFANRHFSA-N -1 0 309.362 2.460 50 0 DEAARM O=C([O-])[C@H](Cc1c[nH]c2cc(F)ccc12)NC(=O)c1ccoc1 ZINC000097231191 337382419 /nfs/dbraw/zinc/38/24/19/337382419.db2.gz LQQXZAFGECIVRF-AWEZNQCLSA-N -1 0 316.288 2.326 50 0 DEAARM CO[C@@H](CNC(=O)[C@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000227267250 523530258 /nfs/dbraw/zinc/53/02/58/523530258.db2.gz OLVXPGJHMJWAHA-KWQFWETISA-N -1 0 317.794 2.036 50 0 DEAARM COc1cnc([N-]S(=O)(=O)c2cc(F)cc(Cl)c2)nc1 ZINC000337234975 524907888 /nfs/dbraw/zinc/90/78/88/524907888.db2.gz ARLBTWJCCFMULV-UHFFFAOYSA-N -1 0 317.729 2.079 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@@](C(=O)[O-])(C(=O)OC(C)(C)C)C1 ZINC000407986139 526418969 /nfs/dbraw/zinc/41/89/69/526418969.db2.gz FKLBGTXGWABOML-OAHLLOKOSA-N -1 0 315.366 2.040 50 0 DEAARM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H](C)n1cccn1)c1ccccc1 ZINC000262547712 601298991 /nfs/dbraw/zinc/29/89/91/601298991.db2.gz WHTAZINFGFGYPV-OBJOEFQTSA-N -1 0 301.346 2.022 50 0 DEAARM O=C([O-])c1cncnc1/C=C\c1ccc(-n2cncn2)c(F)c1 ZINC000103511195 624933035 /nfs/dbraw/zinc/93/30/35/624933035.db2.gz JZUNBOGMDLHBBY-IWQZZHSRSA-N -1 0 311.276 2.065 50 0 DEAARM O=C([O-])c1ccc(C(=O)N[C@H]2CC=CC[C@H]2C(F)(F)F)cn1 ZINC000888092959 635476308 /nfs/dbraw/zinc/47/63/08/635476308.db2.gz QOARWBIBSBZOHA-ZJUUUORDSA-N -1 0 314.263 2.407 50 0 DEAARM CC(C)(C)SCC(=O)N[C@@H](c1nc(=O)o[n-]1)C(C)(C)C ZINC000585089355 789690389 /nfs/dbraw/zinc/69/03/89/789690389.db2.gz GZRDAFQLGBVMKZ-VIFPVBQESA-N -1 0 301.412 2.098 50 0 DEAARM COc1nc(C)c([N-]S(=O)(=O)c2cccc(C)c2)c(C)n1 ZINC000585435988 791834671 /nfs/dbraw/zinc/83/46/71/791834671.db2.gz KMIDKYAYROSBSD-UHFFFAOYSA-N -1 0 307.375 2.211 50 0 DEAARM CC(C)(C)c1nc(C(=O)N2CC[C@H]([C@H](F)C(=O)[O-])C2)cs1 ZINC000952849758 792775843 /nfs/dbraw/zinc/77/58/43/792775843.db2.gz QTJHUIVTFLHQQW-WPRPVWTQSA-N -1 0 314.382 2.325 50 0 DEAARM CCCn1ncc(C(=O)NCCc2ccc(C(=O)[O-])cc2)c1C ZINC000095528368 185378357 /nfs/dbraw/zinc/37/83/57/185378357.db2.gz QYQTVUWPTFYARI-UHFFFAOYSA-N -1 0 315.373 2.272 50 0 DEAARM CC(C)S(=O)(=O)CCn1ccnc1-c1ccccc1C(=O)[O-] ZINC000082127326 192359706 /nfs/dbraw/zinc/35/97/06/192359706.db2.gz DXHDUGKDTAIPHG-UHFFFAOYSA-N -1 0 322.386 2.072 50 0 DEAARM O=C(c1occc1-c1ccccc1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095435104 185364675 /nfs/dbraw/zinc/36/46/75/185364675.db2.gz JLHFVCUDZDOPJO-CYBMUJFWSA-N -1 0 323.356 2.480 50 0 DEAARM NC(=O)C[C@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000095450612 185368860 /nfs/dbraw/zinc/36/88/60/185368860.db2.gz JLSXNABEHFAEQU-SECBINFHSA-N -1 0 314.744 2.055 50 0 DEAARM O=C(NCc1nc(=O)o[n-]1)Nc1ccccc1C(F)(F)F ZINC000095467236 185371990 /nfs/dbraw/zinc/37/19/90/185371990.db2.gz JQRWGICALJSNJW-UHFFFAOYSA-N -1 0 302.212 2.116 50 0 DEAARM O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC1 ZINC000181659205 199333929 /nfs/dbraw/zinc/33/39/29/199333929.db2.gz CDKRYLWFELGQJN-OAHLLOKOSA-N -1 0 300.358 2.470 50 0 DEAARM CCO[N-]C(=O)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000078239924 539364903 /nfs/dbraw/zinc/36/49/03/539364903.db2.gz YGYUBNOHRRFKPT-URZJAHPPSA-N -1 0 320.433 2.262 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCc2cccnc2)[C@@H]1c1ccsc1 ZINC000069665061 190803969 /nfs/dbraw/zinc/80/39/69/190803969.db2.gz JALKTRFAMWEDJY-DZGCQCFKSA-N -1 0 316.382 2.360 50 0 DEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(C(F)(F)F)nc1 ZINC000071280071 190952053 /nfs/dbraw/zinc/95/20/53/190952053.db2.gz WDFQLVQMIKUMFE-RKDXNWHRSA-N -1 0 302.252 2.396 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H]1CCCN(c2cc(C(=O)[O-])ccn2)C1 ZINC000072233909 191079101 /nfs/dbraw/zinc/07/91/01/191079101.db2.gz JHLTWDMPGNWSKT-GFCCVEGCSA-N -1 0 321.377 2.273 50 0 DEAARM C[C@H](NC(=O)CN1CCCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000253370962 186301456 /nfs/dbraw/zinc/30/14/56/186301456.db2.gz YUMCTYHIWJAICU-FZMZJTMJSA-N -1 0 324.808 2.456 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2c3c(nn2C)CCC3)cc1C ZINC000270458355 186395324 /nfs/dbraw/zinc/39/53/24/186395324.db2.gz HZNIVRJUHOCJJK-UHFFFAOYSA-N -1 0 305.403 2.326 50 0 DEAARM Cc1cc(NC(=O)C[C@@H](CC(=O)[O-])c2ccccc2)n(C)n1 ZINC000000153148 180710257 /nfs/dbraw/zinc/71/02/57/180710257.db2.gz NXUAEAVRSRHHMA-ZDUSSCGKSA-N -1 0 301.346 2.316 50 0 DEAARM CC(C)C[C@H](NS(=O)(=O)c1ccccc1Cl)C(=O)[O-] ZINC000000166238 180712625 /nfs/dbraw/zinc/71/26/25/180712625.db2.gz ABPDKVAZYITZMY-JTQLQIEISA-N -1 0 305.783 2.118 50 0 DEAARM O=C([O-])C1(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)CCC1 ZINC000237958764 304032156 /nfs/dbraw/zinc/03/21/56/304032156.db2.gz RBPDQOWEIWDJJM-SNVBAGLBSA-N -1 0 309.749 2.015 50 0 DEAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)Nc3ccccc32)CCCCC1 ZINC000069947159 304032021 /nfs/dbraw/zinc/03/20/21/304032021.db2.gz XSWLVCSZKOQLQZ-LBPRGKRZSA-N -1 0 316.357 2.016 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)NCCc1ccc(OC)cc1)C(=O)[O-] ZINC000002156877 180912676 /nfs/dbraw/zinc/91/26/76/180912676.db2.gz DICDFUDSMXXIJT-RISCZKNCSA-N -1 0 308.378 2.036 50 0 biogenic DEAARM O=C([O-])CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000003315931 181004217 /nfs/dbraw/zinc/00/42/17/181004217.db2.gz REZJPEDFJOOXPV-UHFFFAOYSA-N -1 0 312.174 2.137 50 0 DEAARM O=C([O-])C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000004671156 181134585 /nfs/dbraw/zinc/13/45/85/181134585.db2.gz SGSFDZFGKIKSNA-AWEZNQCLSA-N -1 0 305.355 2.181 50 0 DEAARM O=C([O-])C1CCC(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000263377800 304038275 /nfs/dbraw/zinc/03/82/75/304038275.db2.gz CDXOMYYNTWCQBI-WXRRBKDZSA-N -1 0 320.393 2.290 50 0 DEAARM O=C([O-])COCC(=O)Nc1ccc(OCc2ccccc2)cc1 ZINC000004689870 181137198 /nfs/dbraw/zinc/13/71/98/181137198.db2.gz OIGMGKYZBIRBPK-UHFFFAOYSA-N -1 0 315.325 2.305 50 0 DEAARM O=C([O-])c1cc(Br)ccc1NC(=O)[C@@H]1CCCO1 ZINC000004825314 181157364 /nfs/dbraw/zinc/15/73/64/181157364.db2.gz BEASCMVYFBVAJR-JTQLQIEISA-N -1 0 314.135 2.265 50 0 DEAARM COc1ccccc1NC(=O)COc1ccc(C(=O)[O-])cc1 ZINC000004831868 181158545 /nfs/dbraw/zinc/15/85/45/181158545.db2.gz IFBRXYDQAWNNOR-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM CSCC[C@H](NC(=O)NCc1ccc(Cl)cc1)C(=O)[O-] ZINC000005180339 181213934 /nfs/dbraw/zinc/21/39/34/181213934.db2.gz CLQDHXXPSPZFDJ-NSHDSACASA-N -1 0 316.810 2.346 50 0 DEAARM O=C([O-])C[C@H](NC(=O)COCC1CC1)c1ccc(F)cc1F ZINC000170592107 355986856 /nfs/dbraw/zinc/98/68/56/355986856.db2.gz WAWFXPQXEZCPLP-ZDUSSCGKSA-N -1 0 313.300 2.023 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2ncccc2F)c(Cl)n1 ZINC000170609283 355989175 /nfs/dbraw/zinc/98/91/75/355989175.db2.gz MUXKJJHPCZRJGJ-UHFFFAOYSA-N -1 0 301.730 2.378 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])cc1F ZINC000314165981 356415825 /nfs/dbraw/zinc/41/58/25/356415825.db2.gz UIBWWCQFGBUAHV-WOLRVDTOSA-N -1 0 307.321 2.313 50 0 DEAARM CCOc1ccccc1/C=C/C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000236890549 202054247 /nfs/dbraw/zinc/05/42/47/202054247.db2.gz AQNLVTPFXRHMPQ-KBOKABMXSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])CCNC(=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000238178253 304056970 /nfs/dbraw/zinc/05/69/70/304056970.db2.gz UIJFUXFKZXTTHK-UWVGGRQHSA-N -1 0 301.264 2.400 50 0 DEAARM CCOc1ccccc1CCC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000236905698 202063326 /nfs/dbraw/zinc/06/33/26/202063326.db2.gz XDISIENOEZOOGF-CQSZACIVSA-N -1 0 305.374 2.484 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2C1 ZINC000299743514 304059129 /nfs/dbraw/zinc/05/91/29/304059129.db2.gz NXTYDXPYADCQPT-GJZGRUSLSA-N -1 0 317.385 2.484 50 0 DEAARM COc1ccc(C)cc1/C=C/C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237177152 202176797 /nfs/dbraw/zinc/17/67/97/202176797.db2.gz DZZQUBFGBRZPJV-QQOXCAACSA-N -1 0 303.358 2.340 50 0 DEAARM COc1ccccc1C[C@@H](CNC(=O)[C@H]1CC=CCC1)C(=O)[O-] ZINC000237220987 202194403 /nfs/dbraw/zinc/19/44/03/202194403.db2.gz YMYXSRTWQPLJMJ-ZFWWWQNUSA-N -1 0 317.385 2.411 50 0 DEAARM COc1ccc2c(c1)CCC[C@@H]2CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237254065 202206200 /nfs/dbraw/zinc/20/62/00/202206200.db2.gz FGKHYSLZDIOUBP-ZIAGYGMSSA-N -1 0 317.385 2.438 50 0 DEAARM COc1ccc2c(c1)CCC[C@H]2CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237258164 202208101 /nfs/dbraw/zinc/20/81/01/202208101.db2.gz FGKHYSLZDIOUBP-UONOGXRCSA-N -1 0 317.385 2.438 50 0 DEAARM C[C@@H]1CC[C@@H](CCC(=O)NCCc2ccc(C(=O)[O-])cc2)O1 ZINC000237378716 202248654 /nfs/dbraw/zinc/24/86/54/202248654.db2.gz RDEQTKJBYBZHPB-DOMZBBRYSA-N -1 0 305.374 2.391 50 0 DEAARM C[C@@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000668315907 540645888 /nfs/dbraw/zinc/64/58/88/540645888.db2.gz WBBIDDIKZVVEBO-SJLPKXTDSA-N -1 0 317.385 2.391 50 0 DEAARM Cc1ccc([C@H](C)NC(=O)CN2CCC[C@@H]2C(=O)[O-])cc1C ZINC000237626240 202309799 /nfs/dbraw/zinc/30/97/99/202309799.db2.gz CRCDNRMPYWPOHD-DZGCQCFKSA-N -1 0 304.390 2.030 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2occc2Br)CC1 ZINC000238100009 202441687 /nfs/dbraw/zinc/44/16/87/202441687.db2.gz QIRGXOWUWNMVIF-UHFFFAOYSA-N -1 0 316.151 2.415 50 0 DEAARM COc1ccccc1C[C@H](CNC(=O)[C@H]1[C@@H]2CCC[C@@H]21)C(=O)[O-] ZINC000271888267 209297737 /nfs/dbraw/zinc/29/77/37/209297737.db2.gz GRHZSGVFZCPMAX-NYTXWWLZSA-N -1 0 317.385 2.101 50 0 DEAARM COc1ccc(C2(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC2)cc1 ZINC000244742079 202496126 /nfs/dbraw/zinc/49/61/26/202496126.db2.gz OBLZKLPZEPOULT-AWEZNQCLSA-N -1 0 305.374 2.342 50 0 DEAARM COC(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000006731001 181379041 /nfs/dbraw/zinc/37/90/41/181379041.db2.gz FCLUYNZFHMTKNA-QWHCGFSZSA-N -1 0 317.341 2.387 50 0 DEAARM COc1ccccc1CNC(=O)[C@@H]1C2CCC(CC2)[C@@H]1C(=O)[O-] ZINC000006741379 181380473 /nfs/dbraw/zinc/38/04/73/181380473.db2.gz UIYLGNPQDQQVDB-TUHYSUIHSA-N -1 0 317.385 2.448 50 0 DEAARM CSCCC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](C(=O)[O-])C1 ZINC000091440646 193056493 /nfs/dbraw/zinc/05/64/93/193056493.db2.gz WORAWDGKVBRIMZ-QWHCGFSZSA-N -1 0 311.378 2.205 50 0 DEAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1 ZINC000091694327 193092600 /nfs/dbraw/zinc/09/26/00/193092600.db2.gz CGIHXDKMLYJEND-QGZVFWFLSA-N -1 0 320.389 2.099 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c2OCO3)[C@@H]2CCC[C@H]21 ZINC000630270394 367565407 /nfs/dbraw/zinc/56/54/07/367565407.db2.gz ALUNAHDMJHYDTK-DMDPSCGWSA-N -1 0 317.341 2.131 50 0 DEAARM O=C([O-])[C@H](CNC(=O)[C@]12CCC[C@H]1OCC2)c1ccc(F)cc1 ZINC000630178367 367518828 /nfs/dbraw/zinc/51/88/28/367518828.db2.gz SAFAFIAXJZJNIU-CPUCHLNUSA-N -1 0 321.348 2.069 50 0 DEAARM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)c1cnn(C(F)F)c1 ZINC000630184785 367522186 /nfs/dbraw/zinc/52/21/86/367522186.db2.gz HHTHVYPBYNMYLB-JTQLQIEISA-N -1 0 323.299 2.394 50 0 DEAARM COc1cc(F)c(C(=O)N[C@@H](CC(=O)[O-])C(C)C)c(F)c1 ZINC000219129101 201551013 /nfs/dbraw/zinc/55/10/13/201551013.db2.gz AMZFGGPEQZZKGY-NSHDSACASA-N -1 0 301.289 2.203 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccsc1 ZINC000262194683 304148528 /nfs/dbraw/zinc/14/85/28/304148528.db2.gz ZEXLUUVIVGNFOW-USWWRNFRSA-N -1 0 315.416 2.155 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cnn2ccccc12 ZINC000261929945 304149786 /nfs/dbraw/zinc/14/97/86/304149786.db2.gz STJWGGMKNWNBCE-KYOSRNDESA-N -1 0 313.357 2.192 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1scnc1Cl ZINC000328595495 304153098 /nfs/dbraw/zinc/15/30/98/304153098.db2.gz WLWQOTCXONKWRS-JTQLQIEISA-N -1 0 322.773 2.448 50 0 DEAARM O=C([O-])CC1(CNS(=O)(=O)c2ccccc2)CCCCC1 ZINC000011766636 181705327 /nfs/dbraw/zinc/70/53/27/181705327.db2.gz FYDJLXWLAQAMKP-UHFFFAOYSA-N -1 0 311.403 2.390 50 0 DEAARM O=C([O-])CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21 ZINC000012297073 181747409 /nfs/dbraw/zinc/74/74/09/181747409.db2.gz KAWOUENTKWFZLX-MRXNPFEDSA-N -1 0 322.320 2.276 50 0 biogenic DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C2CCCCC2)cc1 ZINC000016247979 182038353 /nfs/dbraw/zinc/03/83/53/182038353.db2.gz OHKDLJVPGLUJNZ-UHFFFAOYSA-N -1 0 311.403 2.403 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1ccc(Br)cc1 ZINC000019256597 182111955 /nfs/dbraw/zinc/11/19/55/182111955.db2.gz KQUIRMJIPNJVOH-NSHDSACASA-N -1 0 312.163 2.067 50 0 DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(C)c2)n[nH]1 ZINC000021096312 182265262 /nfs/dbraw/zinc/26/52/62/182265262.db2.gz IPXHFLIZNZONQO-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM COc1ccc(-c2csc(NC(=O)/C=C\C(=O)[O-])n2)cc1 ZINC000100812099 193804476 /nfs/dbraw/zinc/80/44/76/193804476.db2.gz NAIAOWDQMQXRQN-SREVYHEPSA-N -1 0 304.327 2.398 50 0 DEAARM O=c1c2[n-][nH]n(-c3cccc(F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101277646 193810327 /nfs/dbraw/zinc/81/03/27/193810327.db2.gz YPESBVNUZLGZEQ-KBPBESRZSA-N -1 0 310.288 2.324 50 0 DEAARM COc1ccc(Cl)cc1/C=C\C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000492213174 249018174 /nfs/dbraw/zinc/01/81/74/249018174.db2.gz HJANMUNUPZDMSM-KMSCOEIWSA-N -1 0 309.749 2.437 50 0 DEAARM COc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)C(=O)[O-])s2)cc1 ZINC000040266970 183049984 /nfs/dbraw/zinc/04/99/84/183049984.db2.gz ALPBBNTVGPMFIG-VIFPVBQESA-N -1 0 320.370 2.330 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]c2cccc(C(N)=O)c2)c(C)s1 ZINC000040461221 183070687 /nfs/dbraw/zinc/07/06/87/183070687.db2.gz YLLIHNBSWMQWCS-UHFFFAOYSA-N -1 0 310.400 2.265 50 0 DEAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1coc(-c2ccccc2)n1 ZINC000097575026 304205636 /nfs/dbraw/zinc/20/56/36/304205636.db2.gz OKNJGXUTNQRLAC-OAHLLOKOSA-N -1 0 324.340 2.076 50 0 DEAARM O=C([O-])c1cncnc1/C=C/c1ccc(-n2cncn2)c(F)c1 ZINC000040554063 183100932 /nfs/dbraw/zinc/10/09/32/183100932.db2.gz JZUNBOGMDLHBBY-HNQUOIGGSA-N -1 0 311.276 2.065 50 0 DEAARM CCn1c(=O)c2ccc(C(=O)NC3CCCC3)cc2[n-]c1=S ZINC000102177486 193864900 /nfs/dbraw/zinc/86/49/00/193864900.db2.gz ZGYVRMRNTSHFHQ-UHFFFAOYSA-N -1 0 317.414 2.378 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c(C)c1 ZINC000042623630 183291826 /nfs/dbraw/zinc/29/18/26/183291826.db2.gz CJUCLFDRDUFYLR-QWHCGFSZSA-N -1 0 317.341 2.387 50 0 DEAARM O=C([O-])[C@H]1[C@H]2C=C[C@]3(CN(c4cccc5ccccc54)C(=O)[C@H]13)O2 ZINC000001413548 304212004 /nfs/dbraw/zinc/21/20/04/304212004.db2.gz QPIMZZREQHWMAF-PASDCYSWSA-N -1 0 321.332 2.211 50 0 biogenic DEAARM CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccc(F)cc1 ZINC000058293016 184101368 /nfs/dbraw/zinc/10/13/68/184101368.db2.gz GRGZRAJOXYFJFM-UHFFFAOYSA-N -1 0 322.361 2.474 50 0 DEAARM COCCCN(C)C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000058412344 184114759 /nfs/dbraw/zinc/11/47/59/184114759.db2.gz KVSVDOUXFVJXPL-UHFFFAOYSA-N -1 0 307.375 2.106 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(C(F)(F)F)nc2)C1 ZINC000062914055 184259867 /nfs/dbraw/zinc/25/98/67/184259867.db2.gz VOWWVOOUXYZSHR-LBPRGKRZSA-N -1 0 302.252 2.037 50 0 DEAARM O=C([O-])c1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1 ZINC000020534069 304255589 /nfs/dbraw/zinc/25/55/89/304255589.db2.gz RHNFNWGBHCMFSH-NTEUORMPSA-N -1 0 322.345 2.155 50 0 DEAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000072144618 304271505 /nfs/dbraw/zinc/27/15/05/304271505.db2.gz ZRPNYLGONTWPDL-CYBMUJFWSA-N -1 0 303.358 2.127 50 0 DEAARM O=C([O-])CCN(C(=O)c1cc(F)cc(F)c1)C1CCOCC1 ZINC000238073988 257237629 /nfs/dbraw/zinc/23/76/29/257237629.db2.gz MNGOIBBKTNIFHA-UHFFFAOYSA-N -1 0 313.300 2.061 50 0 DEAARM Cn1cc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c2ccccc21 ZINC000237763052 257238024 /nfs/dbraw/zinc/23/80/24/257238024.db2.gz RUIFJQPEVJVLEF-OAHLLOKOSA-N -1 0 300.358 2.187 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2-n2cccn2)cc1 ZINC000071859402 184872855 /nfs/dbraw/zinc/87/28/55/184872855.db2.gz VYRWAVRKHNMOPQ-UHFFFAOYSA-N -1 0 314.370 2.377 50 0 DEAARM O=C(NCC1(CCO)CCC1)c1ccc2[n-]c(=S)oc2c1 ZINC000121945906 195379701 /nfs/dbraw/zinc/37/97/01/195379701.db2.gz HBIYSBFNVKGVCZ-UHFFFAOYSA-N -1 0 306.387 2.399 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@@H]1CCCOC1 ZINC000263533742 132589992 /nfs/dbraw/zinc/58/99/92/132589992.db2.gz NPRORJKHNWPILI-CVEARBPZSA-N -1 0 315.369 2.256 50 0 DEAARM CC(C)OCC(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000262365743 145279540 /nfs/dbraw/zinc/27/95/40/145279540.db2.gz WYJDSYZLSLYFCS-UHFFFAOYSA-N -1 0 305.374 2.056 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2ccnc(OC3CCC3)c2)o1 ZINC000262745184 145303144 /nfs/dbraw/zinc/30/31/44/145303144.db2.gz HPOKVPAGVNUKIL-UHFFFAOYSA-N -1 0 316.313 2.234 50 0 DEAARM Cn1nc(C2CC2)cc1NC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262977812 145315594 /nfs/dbraw/zinc/31/55/94/145315594.db2.gz BNTHYXMUHJXZGO-UHFFFAOYSA-N -1 0 306.366 2.062 50 0 DEAARM O=C([O-])C1CCC(NC(=O)C2(Oc3ccccc3)CC2)CC1 ZINC000263219024 145337438 /nfs/dbraw/zinc/33/74/38/145337438.db2.gz ORRZIGQQIFBWPT-UHFFFAOYSA-N -1 0 303.358 2.358 50 0 DEAARM O=C([O-])c1cccc(OS(=O)(=O)c2ccc(F)cc2F)c1 ZINC000007779349 401744049 /nfs/dbraw/zinc/74/40/49/401744049.db2.gz GEZHNQRDFAWHLC-UHFFFAOYSA-N -1 0 314.265 2.431 50 0 DEAARM CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000038609 401687460 /nfs/dbraw/zinc/68/74/60/401687460.db2.gz NBYSTXJLKFMDBD-CABCVRRESA-N -1 0 318.373 2.499 50 0 DEAARM O=C([O-])C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1 ZINC000000094310 401687974 /nfs/dbraw/zinc/68/79/74/401687974.db2.gz KBLNBHCQGDKOHI-NSHDSACASA-N -1 0 311.384 2.242 50 0 DEAARM COc1ccc(Br)cc1[C@H]1N[C@H](C(=O)[O-])CS1 ZINC000000205152 401690043 /nfs/dbraw/zinc/69/00/43/401690043.db2.gz XIIXYYUMGBJWCR-WPRPVWTQSA-N -1 0 318.192 2.246 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2cnc(Cl)c(C)c2)cn1 ZINC000071910133 401696063 /nfs/dbraw/zinc/69/60/63/401696063.db2.gz ZNQKZJCQCOHSOD-UHFFFAOYSA-N -1 0 313.766 2.248 50 0 DEAARM CC(=O)N[C@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000000399542 401696759 /nfs/dbraw/zinc/69/67/59/401696759.db2.gz VCXXRMRBSJAWIA-QGZVFWFLSA-N -1 0 313.353 2.397 50 0 DEAARM CCCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1 ZINC000072275623 401705566 /nfs/dbraw/zinc/70/55/66/401705566.db2.gz ZLBMFYZOOMNCQU-UHFFFAOYSA-N -1 0 320.370 2.449 50 0 DEAARM COCCOC(=O)c1c(C)oc2ccc(O[C@@H](C)C(=O)[O-])cc21 ZINC000001782605 401710607 /nfs/dbraw/zinc/71/06/07/401710607.db2.gz ODAPTVSSFGLOLG-JTQLQIEISA-N -1 0 322.313 2.396 50 0 biogenic DEAARM O=C([O-])CCN1C(=O)S[C@H](Nc2ccc(Cl)cc2)C1=O ZINC000001858077 401711240 /nfs/dbraw/zinc/71/12/40/401711240.db2.gz AYBCGDRCUYIRES-JTQLQIEISA-N -1 0 314.750 2.248 50 0 DEAARM Cn1c([O-])c(C(c2ccccc2)c2ccccc2)c(=O)n(C)c1=O ZINC000002819821 401719015 /nfs/dbraw/zinc/71/90/15/401719015.db2.gz WWPVFXGLPUBZDM-UHFFFAOYSA-N -1 0 322.364 2.485 50 0 DEAARM Cc1ccccc1COc1ccc(-c2nnn(CC(=O)[O-])n2)cc1 ZINC000002872414 401719383 /nfs/dbraw/zinc/71/93/83/401719383.db2.gz BVRAOWVICBUSTL-UHFFFAOYSA-N -1 0 324.340 2.312 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2c(F)cccc2F)c1 ZINC000013341636 401798656 /nfs/dbraw/zinc/79/86/56/401798656.db2.gz HLZIHOVVPCDXBK-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM O=C1CCc2cc([N-]S(=O)(=O)c3cccs3)ccc2N1 ZINC000009828267 401766332 /nfs/dbraw/zinc/76/63/32/401766332.db2.gz WSAHIHHWFUFAJD-UHFFFAOYSA-N -1 0 308.384 2.434 50 0 DEAARM COC(=O)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1C ZINC000012850879 401792593 /nfs/dbraw/zinc/79/25/93/401792593.db2.gz YYQBHCDPOPVSIZ-STQMWFEESA-N -1 0 317.341 2.387 50 0 DEAARM Cc1c(C(=O)[O-])sc2[nH]c(COCC(F)(F)F)nc(=O)c12 ZINC000012880058 401793310 /nfs/dbraw/zinc/79/33/10/401793310.db2.gz KJTFSTZXWHCOEC-UHFFFAOYSA-N -1 0 322.264 2.070 50 0 DEAARM C[C@H]1CCCCN1S(=O)(=O)c1ccc(CCC(=O)[O-])cc1 ZINC000013087607 401796044 /nfs/dbraw/zinc/79/60/44/401796044.db2.gz RIWUBFJKQBNTPZ-LBPRGKRZSA-N -1 0 311.403 2.267 50 0 DEAARM O=C([N-]OCc1ccccc1)[C@H]1CCCN1C(=O)c1ccco1 ZINC000025286670 401832519 /nfs/dbraw/zinc/83/25/19/401832519.db2.gz WMZZXKSMPOSSGM-CQSZACIVSA-N -1 0 314.341 2.132 50 0 DEAARM COc1cc(F)c(S(=O)(=O)[N-]c2ccncc2)cc1OC ZINC000078554403 401855735 /nfs/dbraw/zinc/85/57/35/401855735.db2.gz CPRPYKOVELRXKB-UHFFFAOYSA-N -1 0 312.322 2.039 50 0 DEAARM O=C([O-])c1ccc(NS(=O)(=O)Cc2ccc(F)cc2)cc1 ZINC000037417494 401913532 /nfs/dbraw/zinc/91/35/32/401913532.db2.gz DRVQMQRZZHCTNF-UHFFFAOYSA-N -1 0 309.318 2.466 50 0 DEAARM CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136121528 401960749 /nfs/dbraw/zinc/96/07/49/401960749.db2.gz FFQNFEIBFPNSST-SECBINFHSA-N -1 0 313.785 2.134 50 0 DEAARM CCn1ccnc1CN(C)[C@H](C(=O)[O-])c1ccc(OC)c(F)c1 ZINC000095352524 402026229 /nfs/dbraw/zinc/02/62/29/402026229.db2.gz SFGPBXPGZXAYTG-HNNXBMFYSA-N -1 0 321.352 2.308 50 0 DEAARM CC(C)c1ncc(Cl)c(C(=O)N[C@@](C)(C(=O)[O-])C2CC2)n1 ZINC000050364143 402027391 /nfs/dbraw/zinc/02/73/91/402027391.db2.gz FSIDEKOPTACEFA-CQSZACIVSA-N -1 0 311.769 2.237 50 0 DEAARM CCCn1cc(Cn2cc(-c3ccc(C(=O)[O-])cc3)nn2)cn1 ZINC000095376367 402029995 /nfs/dbraw/zinc/02/99/95/402029995.db2.gz CCWDPVDTXVKQKA-UHFFFAOYSA-N -1 0 311.345 2.298 50 0 DEAARM O=C([O-])c1cccc(CCNC(=O)Cc2cccc(F)c2)c1 ZINC000095953335 402036358 /nfs/dbraw/zinc/03/63/58/402036358.db2.gz RTNIULFZKMPBAF-UHFFFAOYSA-N -1 0 301.317 2.425 50 0 DEAARM COc1c([N-]S(=O)(=O)c2cc(C)sc2C)c(C)nn1C ZINC000095959970 402036575 /nfs/dbraw/zinc/03/65/75/402036575.db2.gz VTGSEALXBRBTMP-UHFFFAOYSA-N -1 0 315.420 2.216 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 ZINC000095970017 402038686 /nfs/dbraw/zinc/03/86/86/402038686.db2.gz OUSYKXLDXHNTGB-RISCZKNCSA-N -1 0 318.373 2.218 50 0 DEAARM C[C@@H](OC1CCCCCC1)C(=O)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095976991 402040330 /nfs/dbraw/zinc/04/03/30/402040330.db2.gz KWTJAQQGHVISAR-OLZOCXBDSA-N -1 0 321.425 2.034 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2noc(C3CC3)n2)c(C)c1 ZINC000095995737 402044863 /nfs/dbraw/zinc/04/48/63/402044863.db2.gz VPILMBNIQSXKOE-UHFFFAOYSA-N -1 0 309.347 2.065 50 0 DEAARM COc1ccc(/C=C\C(=O)N(C)CCCC(=O)[O-])cc1OC ZINC000096035511 402047323 /nfs/dbraw/zinc/04/73/23/402047323.db2.gz PCAQIENUOIJNQQ-CLFYSBASSA-N -1 0 307.346 2.040 50 0 DEAARM C[C@@H](CCc1cccn1C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000096479891 402093995 /nfs/dbraw/zinc/09/39/95/402093995.db2.gz RYSNDEZQSRKNGQ-LBPRGKRZSA-N -1 0 300.358 2.474 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000096479542 402094225 /nfs/dbraw/zinc/09/42/25/402094225.db2.gz FZMUJUFJBBNJHA-SNVBAGLBSA-N -1 0 304.321 2.173 50 0 DEAARM C[C@@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])n1cccc1 ZINC000097017901 402100344 /nfs/dbraw/zinc/10/03/44/402100344.db2.gz OYYNDUHJAPAFPM-BBRMVZONSA-N -1 0 312.369 2.477 50 0 DEAARM C[C@](NC(=O)c1cc(-c2ccc(F)cc2)n[nH]1)(C(=O)[O-])C1CC1 ZINC000097036227 402100658 /nfs/dbraw/zinc/10/06/58/402100658.db2.gz ABLSDRFLBJHAHS-MRXNPFEDSA-N -1 0 317.320 2.199 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2cccc(Cl)c2F)no1 ZINC000097047041 402102468 /nfs/dbraw/zinc/10/24/68/402102468.db2.gz NFDVRQPVMQPGEH-UHFFFAOYSA-N -1 0 305.718 2.225 50 0 DEAARM CC(=O)c1cccc(-c2nc(-c3ccncc3)nn2CC(=O)[O-])c1 ZINC000097323845 402121827 /nfs/dbraw/zinc/12/18/27/402121827.db2.gz OYFROCXVRFZKNA-UHFFFAOYSA-N -1 0 322.324 2.294 50 0 DEAARM CCn1nc([C@H]2CCOC2)nc1-c1c(C)[nH]c(C(=O)[O-])c1C ZINC000097370279 402122191 /nfs/dbraw/zinc/12/21/91/402122191.db2.gz ILPQZCBGYXDYGD-JTQLQIEISA-N -1 0 304.350 2.112 50 0 DEAARM Cc1c(C(=O)N[C@@H](C)CC(=O)[O-])cnn1-c1ccccc1C ZINC000097228673 402118737 /nfs/dbraw/zinc/11/87/37/402118737.db2.gz QCWGOMMKFQOUSG-NSHDSACASA-N -1 0 301.346 2.082 50 0 DEAARM O=C([O-])CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000123686791 402141360 /nfs/dbraw/zinc/14/13/60/402141360.db2.gz QDNWJZBQUWPICX-KBPBESRZSA-N -1 0 323.414 2.124 50 0 DEAARM COc1c(C)cnc(CN(C)Cc2ncccc2C(=O)[O-])c1C ZINC000065382997 402124063 /nfs/dbraw/zinc/12/40/63/402124063.db2.gz WGSMWRZSHPRCSZ-UHFFFAOYSA-N -1 0 315.373 2.432 50 0 DEAARM Cc1[n-]n(-c2ccccc2)c(=O)c1N1C(=O)c2ccccc2C1=O ZINC000100663305 402142188 /nfs/dbraw/zinc/14/21/88/402142188.db2.gz WQZVXSGVMJALQN-HNNXBMFYSA-N -1 0 319.320 2.074 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)n1 ZINC000124227099 402170406 /nfs/dbraw/zinc/17/04/06/402170406.db2.gz JJYVHJIAIFPIPU-WDEREUQCSA-N -1 0 302.355 2.261 50 0 DEAARM Cc1ccc(NC(=O)CC(C)C)cc1N1C[C@H](C(=O)[O-])CC1=O ZINC000067786365 402172296 /nfs/dbraw/zinc/17/22/96/402172296.db2.gz MDUZPFOXDAUGAF-GFCCVEGCSA-N -1 0 318.373 2.417 50 0 DEAARM COc1cc(C)c(S(=O)(=O)[N-]c2nccs2)cc1OC ZINC000069418673 402222183 /nfs/dbraw/zinc/22/21/83/402222183.db2.gz OLOAABMGVIJZCH-UHFFFAOYSA-N -1 0 314.388 2.270 50 0 DEAARM CCOc1cccc(S(=O)(=O)[N-]c2n[nH]cc2SC)c1 ZINC000225706814 402321991 /nfs/dbraw/zinc/32/19/91/402321991.db2.gz YQEJXPIEEOKHQE-UHFFFAOYSA-N -1 0 313.404 2.331 50 0 DEAARM CC1(C)[C@@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc(Br)cn1 ZINC000071280141 402272049 /nfs/dbraw/zinc/27/20/49/402272049.db2.gz FEOIIGRMOBHIIJ-RKDXNWHRSA-N -1 0 313.151 2.139 50 0 DEAARM COc1ccc(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])cc1C(=O)[O-] ZINC000216295994 402288343 /nfs/dbraw/zinc/28/83/43/402288343.db2.gz MTOBMEHTZCZJOH-GFCCVEGCSA-N -1 0 307.346 2.223 50 0 DEAARM Cc1noc(CCC(=O)Nc2ccc(/C=C\C(=O)[O-])cc2)n1 ZINC000222080933 402305460 /nfs/dbraw/zinc/30/54/60/402305460.db2.gz CHMQGVUIOIRVED-WTKPLQERSA-N -1 0 301.302 2.047 50 0 DEAARM Cc1cc(C(=O)N(CCC(=O)[O-])Cc2ccc(F)c(F)c2)no1 ZINC000225459827 402317603 /nfs/dbraw/zinc/31/76/03/402317603.db2.gz RGNJNTKANVSFTM-UHFFFAOYSA-N -1 0 324.283 2.378 50 0 DEAARM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)no1 ZINC000225444068 402317687 /nfs/dbraw/zinc/31/76/87/402317687.db2.gz KCGKQHNFQYGRBN-UHFFFAOYSA-N -1 0 324.358 2.370 50 0 DEAARM O=C([O-])[C@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161957240 402405185 /nfs/dbraw/zinc/40/51/85/402405185.db2.gz DOVXHDBKDPUADZ-VIFPVBQESA-N -1 0 302.143 2.495 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000237957770 402427822 /nfs/dbraw/zinc/42/78/22/402427822.db2.gz FHZFJQFGHAXHPT-JTQLQIEISA-N -1 0 317.263 2.061 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)C1 ZINC000238085517 402436635 /nfs/dbraw/zinc/43/66/35/402436635.db2.gz AIGKGDUEUCDGOM-ZDUSSCGKSA-N -1 0 314.341 2.207 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CC2)CCO1 ZINC000238195025 402440498 /nfs/dbraw/zinc/44/04/98/402440498.db2.gz OHQANYGSCLFBPM-CYBMUJFWSA-N -1 0 323.776 2.074 50 0 DEAARM CSCC[C@H](NC(=O)CC1Cc2ccccc2C1)C(=O)[O-] ZINC000244715999 402447845 /nfs/dbraw/zinc/44/78/45/402447845.db2.gz LGOGJQHFAYJCHP-AWEZNQCLSA-N -1 0 307.415 2.114 50 0 DEAARM CSCC[C@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)[O-] ZINC000170625474 402508526 /nfs/dbraw/zinc/50/85/26/402508526.db2.gz IRHLQQBQJGAJBH-LBPRGKRZSA-N -1 0 306.387 2.114 50 0 biogenic DEAARM Cc1occc1S([O-])=CC(=O)N1CCc2sccc2C1 ZINC000189630131 402548419 /nfs/dbraw/zinc/54/84/19/402548419.db2.gz WNONMKOGIJUDQM-FQEVSTJZSA-N -1 0 309.412 2.342 50 0 DEAARM C[C@H](Oc1cccnc1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000248565214 402596166 /nfs/dbraw/zinc/59/61/66/402596166.db2.gz PIOBWWGOONIXLA-VIRABCJISA-N -1 0 318.373 2.093 50 0 DEAARM CN(c1ccccc1)S(=O)(=O)[N-]C(=O)CCc1ccccc1 ZINC000252478601 402653950 /nfs/dbraw/zinc/65/39/50/402653950.db2.gz AQDLXCZATILQTR-UHFFFAOYSA-N -1 0 318.398 2.117 50 0 DEAARM COCc1cc(NC(=O)[C@@H]2CCO[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC000263100824 402743824 /nfs/dbraw/zinc/74/38/24/402743824.db2.gz OFSKFFAKGAIXAL-CMPLNLGQSA-N -1 0 307.346 2.285 50 0 DEAARM Cc1noc(C)c1C(=O)N[C@@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263157978 402745973 /nfs/dbraw/zinc/74/59/73/402745973.db2.gz VFESHQOWUQDJPL-VIFPVBQESA-N -1 0 318.329 2.246 50 0 DEAARM Cc1ncsc1CN(C)C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263316702 402757820 /nfs/dbraw/zinc/75/78/20/402757820.db2.gz HVXXHONDEXJEPG-UHFFFAOYSA-N -1 0 304.371 2.351 50 0 DEAARM CN(C(=O)c1cc(C2CC2)on1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263448942 402770598 /nfs/dbraw/zinc/77/05/98/402770598.db2.gz NUPWOXDCTXDILT-CQSZACIVSA-N -1 0 314.341 2.320 50 0 DEAARM CC[C@@](NC(=O)c1ccnn1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262152335 402722379 /nfs/dbraw/zinc/72/23/79/402722379.db2.gz PHSKYYYACGMZKT-HNNXBMFYSA-N -1 0 321.764 2.193 50 0 DEAARM CC(C)N(C(=O)CN1CCC[C@]1(C)C(=O)[O-])c1ccccc1 ZINC000316174497 404023780 /nfs/dbraw/zinc/02/37/80/404023780.db2.gz JOVOJWUILOQZRS-QGZVFWFLSA-N -1 0 304.390 2.367 50 0 DEAARM Cc1ccc(OCCCN(C)C(=O)N[C@H](C)C(=O)[O-])c(C)c1 ZINC000426530666 405367648 /nfs/dbraw/zinc/36/76/48/405367648.db2.gz YCTSLMPXTGJZAH-CYBMUJFWSA-N -1 0 308.378 2.187 50 0 DEAARM Cc1cccc([C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(=O)[O-])c1 ZINC000426581276 405369783 /nfs/dbraw/zinc/36/97/83/405369783.db2.gz PLAWTZTZMJFPOI-AWEZNQCLSA-N -1 0 304.390 2.111 50 0 DEAARM Cc1ccc(S[C@@H](C)C(=O)NC2(C(=O)[O-])CCOCC2)cc1 ZINC000455878607 405458413 /nfs/dbraw/zinc/45/84/13/405458413.db2.gz QPISINGQUOFHMP-LBPRGKRZSA-N -1 0 323.414 2.226 50 0 DEAARM COc1cc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc(OC)c1 ZINC000491892068 406767666 /nfs/dbraw/zinc/76/76/66/406767666.db2.gz KPDYEWLKLBSRAY-SZZPACECSA-N -1 0 319.357 2.040 50 0 DEAARM COc1ccc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c(F)c1 ZINC000555915125 406857553 /nfs/dbraw/zinc/85/75/53/406857553.db2.gz XONVBXRWZKIEDZ-UHFFFAOYSA-N -1 0 321.308 2.103 50 0 DEAARM COCCN(CC(=O)[O-])C(=O)[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000237279540 292452368 /nfs/dbraw/zinc/45/23/68/292452368.db2.gz RQWSTWYHRFTNBK-VXGBXAGGSA-N -1 0 311.765 2.003 50 0 DEAARM O=C(N=c1nc(-c2ccccc2)[n-]s1)NC[C@@H]1CCC=CO1 ZINC000408514278 227235610 /nfs/dbraw/zinc/23/56/10/227235610.db2.gz YJESIYHHQCMNPK-LBPRGKRZSA-N -1 0 316.386 2.441 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)[C@@H]2COc3ccccc32)cc1 ZINC000299745136 229383767 /nfs/dbraw/zinc/38/37/67/229383767.db2.gz WKMVEKRUEUADII-OAHLLOKOSA-N -1 0 311.337 2.220 50 0 DEAARM CCCCc1noc(C2CCN(C(=O)CCCC(=O)[O-])CC2)n1 ZINC000046087474 424818705 /nfs/dbraw/zinc/81/87/05/424818705.db2.gz HRYOQSBDDOASPH-UHFFFAOYSA-N -1 0 323.393 2.373 50 0 DEAARM Cc1[n-]n(C)c(=O)c1C(=O)Nc1ccccc1N1CCCCC1 ZINC000101901748 424847437 /nfs/dbraw/zinc/84/74/37/424847437.db2.gz GJAYTBMADQTBCH-OAHLLOKOSA-N -1 0 314.389 2.080 50 0 DEAARM COc1c2ccoc2c(OC)c2c1C([O-])=C[C@](O)(C(F)F)O2 ZINC000000485617 277365798 /nfs/dbraw/zinc/36/57/98/277365798.db2.gz SGBOMOZXKGIRBM-CQSZACIVSA-N -1 0 314.240 2.369 50 0 biogenic DEAARM CC(C)c1ccc(C(=O)N2CCN(CCC(=O)[O-])CC2)cc1 ZINC000069434514 278024322 /nfs/dbraw/zinc/02/43/22/278024322.db2.gz UTMLYMLYXZDLAS-UHFFFAOYSA-N -1 0 304.390 2.043 50 0 DEAARM CC1(C)C[C@@H](NC(=O)C2(C(=O)[O-])CC2)c2ccc(F)cc2O1 ZINC000241371282 281303386 /nfs/dbraw/zinc/30/33/86/281303386.db2.gz MMDXJIMBRMTYRK-LLVKDONJSA-N -1 0 307.321 2.409 50 0 DEAARM CN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000237150435 289486863 /nfs/dbraw/zinc/48/68/63/289486863.db2.gz MVMWAJPSPOCCPD-VHSXEESVSA-N -1 0 301.264 2.352 50 0 DEAARM COc1ccc(-n2c(C)nc3cc(C(=O)[O-])ccc3c2=O)cc1 ZINC000011866567 295050751 /nfs/dbraw/zinc/05/07/51/295050751.db2.gz KGVKKAMNNJVRON-UHFFFAOYSA-N -1 0 310.309 2.401 50 0 biogenic DEAARM COc1ccc(CCC(=O)N[C@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000095424668 295118582 /nfs/dbraw/zinc/11/85/82/295118582.db2.gz SHEOSIXOBJNDMM-OAHLLOKOSA-N -1 0 323.389 2.252 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000237646723 300783320 /nfs/dbraw/zinc/78/33/20/300783320.db2.gz VIUCZHFCQJRPHG-IEVXNVSRSA-N -1 0 309.312 2.392 50 0 DEAARM Cc1cc(=O)n2nc(CNc3cc(Cl)ccc3C)[n-]c2n1 ZINC000101802591 301067960 /nfs/dbraw/zinc/06/79/60/301067960.db2.gz SDSMVBOQBUZQRH-UHFFFAOYSA-N -1 0 303.753 2.300 50 0 DEAARM Cc1nc(C)c(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])nc1C ZINC000263473576 302570858 /nfs/dbraw/zinc/57/08/58/302570858.db2.gz YPNVTDCPDAHQAC-MCIONIFRSA-N -1 0 317.389 2.260 50 0 DEAARM Cc1noc(-c2ccc(C(=O)N3CCCC[C@@H]3C(=O)[O-])cc2)n1 ZINC000237700258 302834136 /nfs/dbraw/zinc/83/41/36/302834136.db2.gz PRCIVPIXGLXORF-CYBMUJFWSA-N -1 0 315.329 2.124 50 0 DEAARM Cc1noc(-c2ccc(C(=O)N3CCCC[C@H]3C(=O)[O-])cc2)n1 ZINC000299744751 302834226 /nfs/dbraw/zinc/83/42/26/302834226.db2.gz PRCIVPIXGLXORF-ZDUSSCGKSA-N -1 0 315.329 2.124 50 0 DEAARM Cc1cc(CN2Cc3[nH]c4ccccc4c3C[C@H]2C(=O)[O-])[nH]n1 ZINC000534650574 334311617 /nfs/dbraw/zinc/31/16/17/334311617.db2.gz LYFBUOLHSBXJPS-INIZCTEOSA-N -1 0 310.357 2.211 50 0 DEAARM CC(C)(O)CCc1ccc(C(=O)NC2(C(=O)[O-])CCC2)cc1 ZINC000534647877 334316339 /nfs/dbraw/zinc/31/63/39/334316339.db2.gz OXLNTQZVRYYINU-UHFFFAOYSA-N -1 0 305.374 2.127 50 0 DEAARM COc1c([N-]S(=O)(=O)c2ccc(C)c(C)c2)c(C)nn1C ZINC000096407102 337381781 /nfs/dbraw/zinc/38/17/81/337381781.db2.gz ACZWZARVZNIDFX-UHFFFAOYSA-N -1 0 309.391 2.155 50 0 DEAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@@H](C)CC(=O)[O-] ZINC000097228863 337382274 /nfs/dbraw/zinc/38/22/74/337382274.db2.gz GAIXRNZMNUNJEK-VIFPVBQESA-N -1 0 321.764 2.427 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 ZINC000178259756 526279887 /nfs/dbraw/zinc/27/98/87/526279887.db2.gz PWARLPXINSLANH-GFCCVEGCSA-N -1 0 312.325 2.421 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)COCCc1ccccc1 ZINC000237984053 527598071 /nfs/dbraw/zinc/59/80/71/527598071.db2.gz GFILPRJUGXMEOO-MRXNPFEDSA-N -1 0 319.401 2.492 50 0 DEAARM CCOc1cccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000328594724 528629316 /nfs/dbraw/zinc/62/93/16/528629316.db2.gz AHRYJDJKBBALBD-UHFFFAOYSA-N -1 0 321.373 2.181 50 0 DEAARM Cc1ccc(/C=C\S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000033487624 596925328 /nfs/dbraw/zinc/92/53/28/596925328.db2.gz HCMXATFRTFVUEC-FLIBITNWSA-N -1 0 309.387 2.092 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@H]2CCOc3ccccc32)n1 ZINC000170000623 643258362 /nfs/dbraw/zinc/25/83/62/643258362.db2.gz WQTHLPLGAXEHRD-JTQLQIEISA-N -1 0 318.354 2.024 50 0 DEAARM CCc1c[nH]nc1[C@@H]1CCCN(c2ccc(C(=O)[O-])cn2)C1 ZINC000067743612 683924660 /nfs/dbraw/zinc/92/46/60/683924660.db2.gz RFHAUYJMHJAGRI-CYBMUJFWSA-N -1 0 300.362 2.449 50 0 DEAARM CC(C)(C)OC(=O)NCCn1c(=O)c2ccccc2[n-]c1=S ZINC000675008335 778330047 /nfs/dbraw/zinc/33/00/47/778330047.db2.gz SCIRRZVSASNULN-UHFFFAOYSA-N -1 0 321.402 2.210 50 0 DEAARM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc(F)nc2F)cn1 ZINC000585119141 789706584 /nfs/dbraw/zinc/70/65/84/789706584.db2.gz SZGZARPSYKAQPV-UHFFFAOYSA-N -1 0 316.333 2.013 50 0 DEAARM CSCC[C@H](NC(=O)Nc1c(C)cccc1C)c1nnn[n-]1 ZINC000952881437 792795974 /nfs/dbraw/zinc/79/59/74/792795974.db2.gz HCOPRSCAPLHMNC-NSHDSACASA-N -1 0 320.422 2.432 50 0 DEAARM Cc1cc(C(=O)[O-])nc(N(C)Cc2ccc3nsnc3c2)n1 ZINC001529197744 1070912467 /nfs/dbraw/zinc/91/24/67/1070912467.db2.gz VPPOPZPIBGHLJN-UHFFFAOYSA-N -1 0 315.358 2.124 50 0 DEAARM Cc1cccc([C@H](C(=O)[O-])N2CCN(C(=O)C3CCC3)CC2)c1 ZINC001506414536 1061957414 /nfs/dbraw/zinc/95/74/14/1061957414.db2.gz FICXRJZVQCFSPA-MRXNPFEDSA-N -1 0 316.401 2.065 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccccn2)[C@@H]1C(=O)[O-] ZINC000096675793 185385237 /nfs/dbraw/zinc/38/52/37/185385237.db2.gz FXGBMHVRXPPJEQ-DGCLKSJQSA-N -1 0 306.362 2.334 50 0 DEAARM CCCc1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n(C)n1 ZINC000092876927 185347623 /nfs/dbraw/zinc/34/76/23/185347623.db2.gz RJWZIPOJLMDTBJ-UHFFFAOYSA-N -1 0 321.402 2.108 50 0 DEAARM Cc1cc(C(=O)NCc2cccc(OCC(=O)[O-])c2)c(C)o1 ZINC000095425481 185361599 /nfs/dbraw/zinc/36/15/99/185361599.db2.gz UAUUZYTUOAEDSE-UHFFFAOYSA-N -1 0 303.314 2.290 50 0 DEAARM Cc1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CC[C@H](C(=O)[O-])C1 ZINC000097039459 185401856 /nfs/dbraw/zinc/40/18/56/185401856.db2.gz HHUOOCRNZUXKPQ-QWHCGFSZSA-N -1 0 313.357 2.164 50 0 DEAARM Cc1ccccc1CCC(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237719200 282380248 /nfs/dbraw/zinc/38/02/48/282380248.db2.gz KEMHAEBYKJAKBB-UHFFFAOYSA-N -1 0 305.374 2.020 50 0 DEAARM Cc1cc(C(=O)NCCCC(=O)[O-])c(C)n1-c1nccs1 ZINC000170043744 539614164 /nfs/dbraw/zinc/61/41/64/539614164.db2.gz NXRJXXIARJTGEL-UHFFFAOYSA-N -1 0 307.375 2.145 50 0 DEAARM COc1cc(C)c(C(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC000263237317 539789357 /nfs/dbraw/zinc/78/93/57/539789357.db2.gz REMZBHIGUBKRIQ-VXGBXAGGSA-N -1 0 321.373 2.338 50 0 DEAARM CCc1ccccc1C(=O)N1CCC[C@@](COC)(C(=O)[O-])C1 ZINC000262837272 186311138 /nfs/dbraw/zinc/31/11/38/186311138.db2.gz GLYGUCVGVLVIKB-QGZVFWFLSA-N -1 0 305.374 2.202 50 0 DEAARM CC(C)n1ccc(C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)n1 ZINC000262844675 186312048 /nfs/dbraw/zinc/31/20/48/186312048.db2.gz CMQNEQQWSYQVFG-UHFFFAOYSA-N -1 0 319.336 2.330 50 0 DEAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(Cc2ncc[nH]2)CC1 ZINC000072478747 191179206 /nfs/dbraw/zinc/17/92/06/191179206.db2.gz QDMFKSMELVDLDT-UHFFFAOYSA-N -1 0 319.336 2.047 50 0 DEAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000001506699 180870749 /nfs/dbraw/zinc/87/07/49/180870749.db2.gz XTGGDLDPAOJKDH-UHFFFAOYSA-N -1 0 311.219 2.446 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000001640311 180882108 /nfs/dbraw/zinc/88/21/08/180882108.db2.gz YMOYURYWGUWMFM-VIFPVBQESA-N -1 0 303.355 2.086 50 0 DEAARM O=C([O-])CSCC(=O)NCc1cccc(C(F)(F)F)c1 ZINC000002557493 180935127 /nfs/dbraw/zinc/93/51/27/180935127.db2.gz GMXUSFPEGALAPT-UHFFFAOYSA-N -1 0 307.293 2.139 50 0 DEAARM O=C([O-])C[C@H]1Sc2nc3c(n2[C@@]1(O)c1ccccc1)CCC3 ZINC000019909814 354045529 /nfs/dbraw/zinc/04/55/29/354045529.db2.gz XVZWCSRXWPHPIZ-CZUORRHYSA-N -1 0 316.382 2.014 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=S)NC1CCCCC1 ZINC000022239133 354053532 /nfs/dbraw/zinc/05/35/32/354053532.db2.gz XRWKORYBPFNMRT-CQSZACIVSA-N -1 0 306.431 2.479 50 0 DEAARM O=C(Cc1sc2ncnn2c1[O-])Nc1ccc(Cl)cc1 ZINC000004304715 181095297 /nfs/dbraw/zinc/09/52/97/181095297.db2.gz OEXSWCFRUVZCEN-SECBINFHSA-N -1 0 308.750 2.075 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3F)c=2c(=O)n1-c1ccccc1 ZINC000004483591 181112898 /nfs/dbraw/zinc/11/28/98/181112898.db2.gz PRAVLKKYGBQKRR-LSDHHAIUSA-N -1 0 324.315 2.319 50 0 DEAARM O=C([O-])c1ccc(-n2nnnc2Oc2ccccc2F)cc1 ZINC000004641483 181131355 /nfs/dbraw/zinc/13/13/55/181131355.db2.gz CXBVKNVHTPAFKX-UHFFFAOYSA-N -1 0 300.249 2.292 50 0 DEAARM Cc1cc(=O)n(-c2c(C)cc(S(=O)(=O)[O-])cc2Cl)[nH]1 ZINC000004731370 181143546 /nfs/dbraw/zinc/14/35/46/181143546.db2.gz QENFKLWBWWDGLL-UHFFFAOYSA-N -1 0 302.739 2.008 50 0 DEAARM CCCCOc1ccc(-c2nnn(CC(=O)[O-])n2)cc1OCC ZINC000004728211 181143991 /nfs/dbraw/zinc/14/39/91/181143991.db2.gz KGTBHDIUCSZYQI-UHFFFAOYSA-N -1 0 320.349 2.002 50 0 DEAARM O=C([O-])C1CCN(c2ncnc3sc4c(c32)CCC4)CC1 ZINC000002876140 304042622 /nfs/dbraw/zinc/04/26/22/304042622.db2.gz DLVKFWGWNRJJBU-UHFFFAOYSA-N -1 0 303.387 2.481 50 0 DEAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 ZINC000075280295 355078718 /nfs/dbraw/zinc/07/87/18/355078718.db2.gz OOGQJEKSCSIJTA-XVNBXDOJSA-N -1 0 323.282 2.118 50 0 DEAARM CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000076018717 355119789 /nfs/dbraw/zinc/11/97/89/355119789.db2.gz FZGZIWATFXAWRP-NEPJUHHUSA-N -1 0 301.795 2.300 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(N)=O)c(F)c1 ZINC000079106524 355296887 /nfs/dbraw/zinc/29/68/87/355296887.db2.gz KUGBCXCHHIYBCE-UHFFFAOYSA-N -1 0 314.363 2.095 50 0 DEAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCC[C@@H]1CC(=O)[O-] ZINC000390937565 540136109 /nfs/dbraw/zinc/13/61/09/540136109.db2.gz IVLOUYBSDPPFSD-OZVIIMIRSA-N -1 0 319.357 2.071 50 0 DEAARM COC(=O)c1ccc(C[N-]C(=O)C(F)(F)Cl)nc1C1CC1 ZINC000153193115 355936831 /nfs/dbraw/zinc/93/68/31/355936831.db2.gz BYZKPRUCSPCZBW-UHFFFAOYSA-N -1 0 318.707 2.193 50 0 DEAARM O=C(NC[C@H](O)C(F)(F)F)c1c([O-])cc(Cl)cc1Cl ZINC000080034970 191995842 /nfs/dbraw/zinc/99/58/42/191995842.db2.gz ACETUUNMNLQASI-ZETCQYMHSA-N -1 0 318.078 2.352 50 0 DEAARM 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539365922 /nfs/dbraw/zinc/36/59/22/539365922.db2.gz VXPCKZVWLMVECR-OAHLLOKOSA-N -1 0 306.293 2.218 50 0 DEAARM O=C(OC1(C2CC2)CC1)c1cccc(-n2[n-]c(=O)ccc2=O)c1 ZINC000083771043 539390390 /nfs/dbraw/zinc/39/03/90/539390390.db2.gz TXDSYUOVWJSSIJ-UHFFFAOYSA-N -1 0 312.325 2.038 50 0 DEAARM CC(C)NC(=O)/C(C#N)=C/c1cccc(OC(F)(F)C(=O)[O-])c1 ZINC000096295448 539432933 /nfs/dbraw/zinc/43/29/33/539432933.db2.gz ZRUTWNUNALLFAV-IZZDOVSWSA-N -1 0 324.283 2.174 50 0 DEAARM Cc1ccc2[nH]c([C@H]3CCCN3C(=O)[C@@H](C)C(=O)[O-])nc2c1 ZINC000263552394 539789739 /nfs/dbraw/zinc/78/97/39/539789739.db2.gz LTWPOCIXNZNKBK-ZWNOBZJWSA-N -1 0 301.346 2.256 50 0 DEAARM CCc1noc(CC)c1CNC(=O)c1ccc(C(=O)[O-])s1 ZINC000262896761 186321125 /nfs/dbraw/zinc/32/11/25/186321125.db2.gz XILRMBAKNIATLR-UHFFFAOYSA-N -1 0 308.359 2.489 50 0 DEAARM CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000002455261 180924401 /nfs/dbraw/zinc/92/44/01/180924401.db2.gz OSFGNTLIOUHOKN-UHFFFAOYSA-N -1 0 305.355 2.206 50 0 DEAARM CC(C)CCNC(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000000425334 353989484 /nfs/dbraw/zinc/98/94/84/353989484.db2.gz KUAFJSVLXWXWLJ-UHFFFAOYSA-N -1 0 305.403 2.221 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)N2CCc3ccccc32)c1 ZINC000003884775 181052267 /nfs/dbraw/zinc/05/22/67/181052267.db2.gz VLBSLQVQWAJURT-UHFFFAOYSA-N -1 0 303.339 2.136 50 0 DEAARM Cc1cc([N-][C@@]2(C(F)(F)F)N=C(c3ccccc3)NC2=O)no1 ZINC000004196399 181083697 /nfs/dbraw/zinc/08/36/97/181083697.db2.gz MVAFKBZHAUFYDN-CYBMUJFWSA-N -1 0 324.262 2.230 50 0 DEAARM COc1ccc(OC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000004854654 181163975 /nfs/dbraw/zinc/16/39/75/181163975.db2.gz OMMCLSTYKQPZHQ-VXGBXAGGSA-N -1 0 305.330 2.309 50 0 DEAARM C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000390937561 540136314 /nfs/dbraw/zinc/13/63/14/540136314.db2.gz IVLOUYBSDPPFSD-MKBNYLNASA-N -1 0 319.357 2.071 50 0 DEAARM CN(CCNC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000100815958 355708376 /nfs/dbraw/zinc/70/83/76/355708376.db2.gz 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/nfs/dbraw/zinc/15/85/80/202158580.db2.gz LYAYQLJNGWMBOG-ZDUSSCGKSA-N -1 0 305.374 2.341 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2n[nH]c(C)c2CC(C)C)cn1 ZINC000390835464 356711378 /nfs/dbraw/zinc/71/13/78/356711378.db2.gz OKJYGSJSSSGTMI-UHFFFAOYSA-N -1 0 324.406 2.121 50 0 DEAARM COc1ccccc1C[C@@H](CNC(=O)C1CC=CC1)C(=O)[O-] ZINC000237209852 202190242 /nfs/dbraw/zinc/19/02/42/202190242.db2.gz PWQMWZYCZISDLN-AWEZNQCLSA-N -1 0 303.358 2.021 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc21 ZINC000299741857 304062580 /nfs/dbraw/zinc/06/25/80/304062580.db2.gz HIBJVFYWKHTTGN-OCCSQVGLSA-N -1 0 303.358 2.409 50 0 DEAARM C[C@@H](CN(C)C(=O)[C@@H]1COc2ccc(Cl)cc2C1)C(=O)[O-] ZINC000237393159 202252944 /nfs/dbraw/zinc/25/29/44/202252944.db2.gz DTRQOQUQKLLETM-ONGXEEELSA-N -1 0 311.765 2.070 50 0 DEAARM C[C@@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccccc1 ZINC000668272752 540632298 /nfs/dbraw/zinc/63/22/98/540632298.db2.gz LVFUSCYCFQCRRN-PAPYEOQZSA-N -1 0 305.374 2.380 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237590932 202295555 /nfs/dbraw/zinc/29/55/55/202295555.db2.gz BJNVQKSEZCJCIA-CYBMUJFWSA-N -1 0 308.378 2.470 50 0 DEAARM Cc1c(C(=O)N2CCC(C(=O)[O-])CC2)cnn1-c1ccccc1 ZINC000237733781 202340953 /nfs/dbraw/zinc/34/09/53/202340953.db2.gz YYCCSDUWEBGOCE-UHFFFAOYSA-N -1 0 313.357 2.118 50 0 DEAARM Cc1ccc2[nH]c(C(=O)N3CCO[C@@H](CC(=O)[O-])C3)cc2c1C ZINC000237857325 202372292 /nfs/dbraw/zinc/37/22/92/202372292.db2.gz LOCYYXQNJROSCY-LBPRGKRZSA-N -1 0 316.357 2.100 50 0 DEAARM CC[C@H](C(=O)[O-])N(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000242688362 202474471 /nfs/dbraw/zinc/47/44/71/202474471.db2.gz VOHLTBGDYYQCPC-LLVKDONJSA-N -1 0 305.783 2.278 50 0 DEAARM C[C@@H]1C[C@H](C(=O)N2CC[C@H](C(=O)[O-])c3ccccc32)CCO1 ZINC000669434128 540832631 /nfs/dbraw/zinc/83/26/31/540832631.db2.gz KDPXDXYENYLSCT-BZPMIXESSA-N -1 0 303.358 2.407 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)CC2CCOCC2)c2ccccc21 ZINC000669435502 540832669 /nfs/dbraw/zinc/83/26/69/540832669.db2.gz 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CCN(C(=O)c1cnc(C(=O)[O-])cn1)[C@@H](C)Cc1ccsc1 ZINC000262809157 203407829 /nfs/dbraw/zinc/40/78/29/203407829.db2.gz AYKMUZNEPBOGOO-JTQLQIEISA-N -1 0 319.386 2.330 50 0 DEAARM Cn1ccc([N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1 ZINC000012507861 181768687 /nfs/dbraw/zinc/76/86/87/181768687.db2.gz ANODJRLTRDTGKV-UHFFFAOYSA-N -1 0 305.281 2.240 50 0 DEAARM Cc1ccc(C)c(OCCC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000013170545 181836585 /nfs/dbraw/zinc/83/65/85/181836585.db2.gz SWKIVHSIKMVIRT-AWEZNQCLSA-N -1 0 305.374 2.396 50 0 DEAARM COc1ccc(Cl)cc1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000013425669 181849117 /nfs/dbraw/zinc/84/91/17/181849117.db2.gz PZFAPJAGEWEABU-UHFFFAOYSA-N -1 0 311.765 2.214 50 0 DEAARM CCn1ncc(S(=O)(=O)[N-]c2ccc(C(C)=O)cc2)c1C ZINC000017031561 182069129 /nfs/dbraw/zinc/06/91/29/182069129.db2.gz JJXBSMKPLCCQRF-UHFFFAOYSA-N -1 0 307.375 2.215 50 0 DEAARM CC1=NN(C(=O)c2ccc(Cl)cc2[O-])[C@](O)(C(F)F)C1 ZINC000017031143 182069254 /nfs/dbraw/zinc/06/92/54/182069254.db2.gz BUBZPROUFXZDPD-GFCCVEGCSA-N 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UAVIBZFBXKULRR-BDAKNGLRSA-N -1 0 306.156 2.376 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc2c(c1)CCO2 ZINC000238044918 304207058 /nfs/dbraw/zinc/20/70/58/304207058.db2.gz FLSJLNOGIYXQJH-MRXNPFEDSA-N -1 0 323.348 2.273 50 0 DEAARM CCNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000048383506 183654490 /nfs/dbraw/zinc/65/44/90/183654490.db2.gz LBYMQSOSDADMJZ-UONOGXRCSA-N -1 0 316.357 2.042 50 0 DEAARM COCCCN1C(=O)C[C@H](C(=O)[O-])[C@@H]1c1cccc(C)c1C ZINC000057982507 184064294 /nfs/dbraw/zinc/06/42/94/184064294.db2.gz JTDDWZVOWSATFB-HOCLYGCPSA-N -1 0 305.374 2.314 50 0 DEAARM COc1ccc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1F ZINC000269049549 207197839 /nfs/dbraw/zinc/19/78/39/207197839.db2.gz URIHEZLONGRPJA-INIZCTEOSA-N -1 0 309.337 2.090 50 0 DEAARM CC(C)C[C@H](NC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000061860208 184189971 /nfs/dbraw/zinc/18/99/71/184189971.db2.gz WBORMVOKFHVTAG-JTQLQIEISA-N -1 0 315.167 2.073 50 0 DEAARM O=C([O-])C1(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)CC1 ZINC000119007389 194955565 /nfs/dbraw/zinc/95/55/65/194955565.db2.gz AHIBOFQNEYRLNH-HNNXBMFYSA-N -1 0 317.385 2.102 50 0 DEAARM COc1cc([C@H](C)NC(=O)[C@@H]2C[C@H]2C(=O)[O-])ccc1OC(C)C ZINC000299748978 533127537 /nfs/dbraw/zinc/12/75/37/533127537.db2.gz ISZJCABCZXXMAK-CYZMBNFOSA-N -1 0 321.373 2.380 50 0 DEAARM O=C([O-])c1cnc(OC2CCOCC2)c(Br)c1 ZINC000040447916 304278923 /nfs/dbraw/zinc/27/89/23/304278923.db2.gz XDYWFJMSRJYXGK-UHFFFAOYSA-N -1 0 302.124 2.100 50 0 DEAARM O=C([O-])CCN(C(=O)c1cccc2[nH]ccc21)C1CCOCC1 ZINC000238075577 257237865 /nfs/dbraw/zinc/23/78/65/257237865.db2.gz SOOBBSALWMULPX-UHFFFAOYSA-N -1 0 316.357 2.264 50 0 DEAARM COc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1C ZINC000299741983 533512054 /nfs/dbraw/zinc/51/20/54/533512054.db2.gz ANTSOFYOAADSJR-CQSZACIVSA-N -1 0 321.373 2.100 50 0 DEAARM CC1CCN(c2ccc(N3CCC[C@@H](C(=O)[O-])C3)nn2)CC1 ZINC000032918819 134684443 /nfs/dbraw/zinc/68/44/43/134684443.db2.gz UHYPCPOISPQIEP-CYBMUJFWSA-N -1 0 304.394 2.014 50 0 DEAARM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)CCC2CCC2)CC1 ZINC000263219515 145337133 /nfs/dbraw/zinc/33/71/33/145337133.db2.gz QJUBSGNKWNUJOK-ZBFHGGJFSA-N -1 0 309.406 2.295 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1 ZINC000007405412 401739644 /nfs/dbraw/zinc/73/96/44/401739644.db2.gz HWUWXMURCVFAIJ-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM CCOC(=O)C1CCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000007735910 401743559 /nfs/dbraw/zinc/74/35/59/401743559.db2.gz KHYMADHBPMQYJO-UHFFFAOYSA-N -1 0 311.765 2.461 50 0 DEAARM CCOC(=O)c1sc2[n-]cc(C(=O)OCC)c(=O)c2c1C ZINC000000208656 401690607 /nfs/dbraw/zinc/69/06/07/401690607.db2.gz SKVNPWHCFOJYAD-UHFFFAOYSA-N -1 0 309.343 2.251 50 0 DEAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1O ZINC000000206672 401690762 /nfs/dbraw/zinc/69/07/62/401690762.db2.gz SIIAMFGDICSKLI-UHFFFAOYSA-N -1 0 311.746 2.164 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(F)cc1 ZINC000007990556 401746994 /nfs/dbraw/zinc/74/69/94/401746994.db2.gz VUNWIVJOOLLOQE-UHFFFAOYSA-N -1 0 322.361 2.127 50 0 DEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000000433146 401698339 /nfs/dbraw/zinc/69/83/39/401698339.db2.gz HNQQDXNTKOUXOE-JKSUJKDBSA-N -1 0 314.385 2.002 50 0 DEAARM COCc1nnc([N-]S(=O)(=O)c2ccc(Cl)cc2)s1 ZINC000000461326 401698587 /nfs/dbraw/zinc/69/85/87/401698587.db2.gz DHJSUWMQASRWPV-UHFFFAOYSA-N -1 0 319.795 2.139 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)Nc1ccc(OC)cc1OC)C(=O)[O-] ZINC000000543784 401700702 /nfs/dbraw/zinc/70/07/02/401700702.db2.gz PAUYLFWERLEVTJ-RNCFNFMXSA-N -1 0 310.350 2.325 50 0 biogenic DEAARM Cc1ccnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)c1 ZINC000001259263 401705392 /nfs/dbraw/zinc/70/53/92/401705392.db2.gz UBIGAWJXHYDQIB-UHFFFAOYSA-N -1 0 321.336 2.219 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCc2ccccn2)[C@H]1c1ccsc1 ZINC000072275700 401705735 /nfs/dbraw/zinc/70/57/35/401705735.db2.gz BXTNSAYFBJLBHM-ZFWWWQNUSA-N -1 0 316.382 2.360 50 0 DEAARM O=C([O-])/C=C/c1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000001469875 401707746 /nfs/dbraw/zinc/70/77/46/401707746.db2.gz XEQJUWCZVBXEOM-JXMROGBWSA-N -1 0 309.387 2.349 50 0 DEAARM NC(=O)COc1ccc(-c2cc(C(=O)[O-])c3ccccc3n2)cc1 ZINC000002387685 401713463 /nfs/dbraw/zinc/71/34/63/401713463.db2.gz POUNLCVQYLKRON-UHFFFAOYSA-N -1 0 322.320 2.464 50 0 DEAARM O=C([O-])CCCCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000002353106 401713499 /nfs/dbraw/zinc/71/34/99/401713499.db2.gz JYGBKEPMPCTWEV-UHFFFAOYSA-N -1 0 305.783 2.263 50 0 DEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccco2)cc1OC ZINC000002689552 401716567 /nfs/dbraw/zinc/71/65/67/401716567.db2.gz ITCRVQYXNASVEK-LLVKDONJSA-N -1 0 319.313 2.243 50 0 DEAARM CCOc1cc(C=O)cc(Br)c1OCC(=O)[O-] ZINC000002767854 401718064 /nfs/dbraw/zinc/71/80/64/401718064.db2.gz VHXPOMCAVDRYDS-UHFFFAOYSA-N -1 0 303.108 2.124 50 0 DEAARM COc1ccc(Cl)cc1CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013260791 401798416 /nfs/dbraw/zinc/79/84/16/401798416.db2.gz BSKDRGAOAYFMLZ-SNVBAGLBSA-N -1 0 311.765 2.214 50 0 DEAARM COc1ccc(CNC(=O)Cc2ccccc2F)cc1C(=O)[O-] ZINC000013392970 401799267 /nfs/dbraw/zinc/79/92/67/401799267.db2.gz JCCIEFKPKQNUAC-UHFFFAOYSA-N -1 0 317.316 2.391 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)COc1ccccc1)c1cccs1 ZINC000013388974 401799450 /nfs/dbraw/zinc/79/94/50/401799450.db2.gz PNKMQUGDRQFEEE-GFCCVEGCSA-N -1 0 305.355 2.459 50 0 DEAARM O=C([O-])CSCc1nnnn1-c1ccc(Cl)c(Cl)c1 ZINC000013629075 401802076 /nfs/dbraw/zinc/80/20/76/401802076.db2.gz CJYXEPPEDAYVNN-UHFFFAOYSA-N -1 0 319.173 2.287 50 0 DEAARM CC[C@]1(C(=O)OC)C[C@@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C ZINC000008730132 401755719 /nfs/dbraw/zinc/75/57/19/401755719.db2.gz VKNSHFZHNUXUHI-DVOMOZLQSA-N -1 0 309.337 2.225 50 0 DEAARM CC(=O)c1cccc(S(=O)(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000012532551 401787095 /nfs/dbraw/zinc/78/70/95/401787095.db2.gz FDOTZNDMNOQXDF-UHFFFAOYSA-N -1 0 319.338 2.388 50 0 DEAARM CS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000012781805 401791713 /nfs/dbraw/zinc/79/17/13/401791713.db2.gz DHJSWVOTPBVASU-UHFFFAOYSA-N -1 0 319.338 2.041 50 0 DEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000027057440 401843813 /nfs/dbraw/zinc/84/38/13/401843813.db2.gz XUTKPUJHYYVKCU-CHWSQXEVSA-N -1 0 314.341 2.177 50 0 DEAARM CN(C)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC000078556724 401856372 /nfs/dbraw/zinc/85/63/72/401856372.db2.gz SAJXLPIVCNGMNN-UHFFFAOYSA-N -1 0 313.329 2.227 50 0 DEAARM Cc1cc(C)c2nc(C)cc(C(=O)N[C@@H](C)c3nnn[n-]3)c2c1 ZINC000077436725 401815323 /nfs/dbraw/zinc/81/53/23/401815323.db2.gz TVUSQEPXGCXXAO-NSHDSACASA-N -1 0 310.361 2.164 50 0 DEAARM COCc1[n-]n2c(nc(C)c(C)c2=O)c1-c1ccc(OC)cc1 ZINC000015106052 401816131 /nfs/dbraw/zinc/81/61/31/401816131.db2.gz MEOKUCNQZBXURW-UHFFFAOYSA-N -1 0 313.357 2.461 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2c(F)cc(F)cc2F)CC1 ZINC000086995989 401925770 /nfs/dbraw/zinc/92/57/70/401925770.db2.gz JCFWLRDGMBULMN-UHFFFAOYSA-N -1 0 301.264 2.477 50 0 DEAARM COc1ccc(CNC(=O)C2(C(=O)[O-])CC2)c(C(F)(F)F)c1 ZINC000118958734 401915253 /nfs/dbraw/zinc/91/52/53/401915253.db2.gz BOZCQUDXKWXQTD-UHFFFAOYSA-N -1 0 317.263 2.195 50 0 DEAARM C[C@@H](CC(=O)N1CCC[C@@H](c2nnn[n-]2)C1)c1ccccc1F ZINC000089894508 401971669 /nfs/dbraw/zinc/97/16/69/401971669.db2.gz LCSUJUCJPCFWMN-NWDGAFQWSA-N -1 0 317.368 2.239 50 0 DEAARM CC[C@H](Cc1cccc(Br)c1)C(=O)NCC(=O)[O-] ZINC000089943650 401976564 /nfs/dbraw/zinc/97/65/64/401976564.db2.gz HBPMRBYMOKJHOP-SNVBAGLBSA-N -1 0 314.179 2.219 50 0 DEAARM O=C([O-])c1ccccc1-c1cn(CC2(Cn3cccn3)CC2)nn1 ZINC000095369831 402029219 /nfs/dbraw/zinc/02/92/19/402029219.db2.gz XLYHPCRIYJOCRQ-UHFFFAOYSA-N -1 0 323.356 2.320 50 0 DEAARM Cn1ccnc1C(=O)N1CCC[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000095384417 402031337 /nfs/dbraw/zinc/03/13/37/402031337.db2.gz VDKFFRWZTZAWGN-CQSZACIVSA-N -1 0 313.357 2.138 50 0 DEAARM Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c21 ZINC000095969529 402038403 /nfs/dbraw/zinc/03/84/03/402038403.db2.gz SYHLZGDXJRZBSP-GFCCVEGCSA-N -1 0 300.358 2.342 50 0 DEAARM Cc1c(C(=O)NCCCCC(=O)[O-])cnn1-c1ccccc1 ZINC000095970553 402038902 /nfs/dbraw/zinc/03/89/02/402038902.db2.gz LTTDLBAFZVMIMU-UHFFFAOYSA-N -1 0 301.346 2.165 50 0 DEAARM Cc1ccc(C[C@H](CNC(=O)c2cscn2)C(=O)[O-])cc1 ZINC000095970693 402038975 /nfs/dbraw/zinc/03/89/75/402038975.db2.gz JLDNMIVBNJSIQU-GFCCVEGCSA-N -1 0 304.371 2.125 50 0 DEAARM O=C([O-])CCN(C(=O)c1cc(-c2cccs2)n[nH]1)C1CC1 ZINC000095989406 402043172 /nfs/dbraw/zinc/04/31/72/402043172.db2.gz NHRGKZIQNOIRAL-UHFFFAOYSA-N -1 0 305.359 2.218 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(-c2cc[nH]n2)cc1 ZINC000052798198 402046709 /nfs/dbraw/zinc/04/67/09/402046709.db2.gz AVUITHNEZXHQCR-UHFFFAOYSA-N -1 0 318.358 2.482 50 0 DEAARM O=C([O-])[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1F ZINC000097036427 402100686 /nfs/dbraw/zinc/10/06/86/402100686.db2.gz SIXHEDHTYNVHBF-OAHLLOKOSA-N -1 0 305.280 2.449 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2cc(Cl)cc3c2OCC3)no1 ZINC000097085655 402106197 /nfs/dbraw/zinc/10/61/97/402106197.db2.gz QIGCOFSTYDCINA-UHFFFAOYSA-N -1 0 314.750 2.372 50 0 DEAARM CCc1nc(CCSCc2ccccc2)n(CC(=O)[O-])n1 ZINC000096133441 402061485 /nfs/dbraw/zinc/06/14/85/402061485.db2.gz NGLFDHOSMSHDCX-UHFFFAOYSA-N -1 0 305.403 2.401 50 0 DEAARM O=C([O-])c1ccc(N2CCC[C@H](OCc3cccnc3)C2)nc1 ZINC000096135842 402061517 /nfs/dbraw/zinc/06/15/17/402061517.db2.gz FJPQUGBUTHBRPC-HNNXBMFYSA-N -1 0 313.357 2.360 50 0 DEAARM COc1ccc2[nH]c(-c3nc(C)nn3CC(=O)[O-])c(C)c2c1 ZINC000096141743 402062126 /nfs/dbraw/zinc/06/21/26/402062126.db2.gz DYLJXEJCXUJXFE-UHFFFAOYSA-N -1 0 300.318 2.136 50 0 DEAARM C[C@H](CNC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000054310075 402065850 /nfs/dbraw/zinc/06/58/50/402065850.db2.gz MEWJWVIWURRSPE-MRVPVSSYSA-N -1 0 310.400 2.251 50 0 DEAARM COc1ccc(CNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c(F)c1F ZINC000097805768 402132683 /nfs/dbraw/zinc/13/26/83/402132683.db2.gz CSEUXYWRPZDTMT-DTWKUNHWSA-N -1 0 313.300 2.091 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 ZINC000124227372 402170154 /nfs/dbraw/zinc/17/01/54/402170154.db2.gz JJYVHJIAIFPIPU-GHMZBOCLSA-N -1 0 302.355 2.261 50 0 DEAARM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(Oc2ccccc2)cc1 ZINC000069568827 402231360 /nfs/dbraw/zinc/23/13/60/402231360.db2.gz QPTVCMSLZKLQPX-LLVKDONJSA-N -1 0 324.340 2.381 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCc2cccnc2)[C@H]1c1ccsc1 ZINC000069665064 402237650 /nfs/dbraw/zinc/23/76/50/402237650.db2.gz JALKTRFAMWEDJY-ZFWWWQNUSA-N -1 0 316.382 2.360 50 0 DEAARM COc1cccc(-n2c(SCC(=O)[O-])nnc2[C@H](C)OC)c1 ZINC000071278544 402271748 /nfs/dbraw/zinc/27/17/48/402271748.db2.gz CXWXKMUFQAZOSJ-VIFPVBQESA-N -1 0 323.374 2.160 50 0 DEAARM Cc1[nH]c2c(c1C(=O)NCc1ccc(C(=O)[O-])o1)C(=O)CCC2 ZINC000221259436 402303621 /nfs/dbraw/zinc/30/36/21/402303621.db2.gz UOZJYBABMFMWLN-UHFFFAOYSA-N -1 0 316.313 2.063 50 0 DEAARM Cc1nn(C)c(C)c1C[C@H](C)NC(=O)c1ccc(C(=O)[O-])cc1 ZINC000225458836 402317634 /nfs/dbraw/zinc/31/76/34/402317634.db2.gz ZZRVSBNTMOLOLK-JTQLQIEISA-N -1 0 315.373 2.096 50 0 DEAARM CC(C)n1ncc(C(=O)N2CC[C@@H](C(=O)[O-])C2)c1C(F)(F)F ZINC000236726873 402378368 /nfs/dbraw/zinc/37/83/68/402378368.db2.gz SHWYPQYHTSWTAH-MRVPVSSYSA-N -1 0 319.283 2.030 50 0 DEAARM O=C([O-])C[C@H](CC(=O)NCCCn1cccn1)c1ccccc1 ZINC000226750791 402330226 /nfs/dbraw/zinc/33/02/26/402330226.db2.gz QKLNTMMSRYWBHZ-HNNXBMFYSA-N -1 0 315.373 2.038 50 0 DEAARM Cc1noc(C2CCN(C(=O)c3ccc(C(=O)[O-])s3)CC2)n1 ZINC000237684039 402417576 /nfs/dbraw/zinc/41/75/76/402417576.db2.gz PRKKLMYSITXTSJ-UHFFFAOYSA-N -1 0 321.358 2.158 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)COc1ccccc1F ZINC000237927058 402426438 /nfs/dbraw/zinc/42/64/38/402426438.db2.gz MTGPIQABZHOMSE-LBPRGKRZSA-N -1 0 309.337 2.450 50 0 DEAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000238105636 402437835 /nfs/dbraw/zinc/43/78/35/402437835.db2.gz DXAGSTRYFLATNH-GJZGRUSLSA-N -1 0 321.348 2.021 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)C2(c3cccs3)CCCCC2)CCO1 ZINC000238122663 402438732 /nfs/dbraw/zinc/43/87/32/402438732.db2.gz UEWUEHDDUGBMMS-GFCCVEGCSA-N -1 0 323.414 2.262 50 0 DEAARM 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301017423 /nfs/dbraw/zinc/01/74/23/301017423.db2.gz QXOVTPDELGCCOZ-GFCCVEGCSA-N -1 0 317.341 2.365 50 0 DEAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@H](C(=O)[O-])C(C)C)c1C ZINC000003374957 301179237 /nfs/dbraw/zinc/17/92/37/301179237.db2.gz FSSJWNVCOOWYHL-ZDUSSCGKSA-N -1 0 313.419 2.308 50 0 DEAARM O=C([O-])c1ccc(-c2ccc(N3CCSCC3)nn2)s1 ZINC000534650595 334311789 /nfs/dbraw/zinc/31/17/89/334311789.db2.gz VXPBNLHJQBLICZ-UHFFFAOYSA-N -1 0 307.400 2.457 50 0 DEAARM O=C([N-]S(=O)(=O)[C@H]1CC=CCC1)C1CCC(F)(F)CC1 ZINC000095976230 501060247 /nfs/dbraw/zinc/06/02/47/501060247.db2.gz GJWHGTMNXPKXCF-NSHDSACASA-N -1 0 307.362 2.367 50 0 DEAARM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccnn1C1CCCC1)CC2 ZINC000263287772 501070841 /nfs/dbraw/zinc/07/08/41/501070841.db2.gz VJNZMMDEBDDZRH-ZDUSSCGKSA-N -1 0 317.389 2.325 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)CCO1 ZINC000299748579 534504350 /nfs/dbraw/zinc/50/43/50/534504350.db2.gz HNCXWZYBXOJCDU-RDBSUJKOSA-N -1 0 323.776 2.146 50 0 DEAARM CCC[C@@H](CC(=O)[O-])NC(=O)N1CC(Oc2cccc(C)c2)C1 ZINC000426618427 528909570 /nfs/dbraw/zinc/90/95/70/528909570.db2.gz WTDFHJNXYACCQL-ZDUSSCGKSA-N -1 0 320.389 2.411 50 0 DEAARM CC(C)CC(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000219490066 563719659 /nfs/dbraw/zinc/71/96/59/563719659.db2.gz VDJZOIRCEYYZDD-HUUCEWRRSA-N -1 0 321.373 2.083 50 0 DEAARM O=C([O-])C1(NC(=O)COc2cc(Cl)ccc2Cl)CC1 ZINC000203654643 563822291 /nfs/dbraw/zinc/82/22/91/563822291.db2.gz NIFPKZUXRVVULK-UHFFFAOYSA-N -1 0 304.129 2.106 50 0 DEAARM Cc1[nH]nc2ncc(NC(=O)[C@H]3CCC[C@H](C(=O)[O-])C3)cc12 ZINC000832990395 601209790 /nfs/dbraw/zinc/20/97/90/601209790.db2.gz AGOCQEDSVGSKOW-UWVGGRQHSA-N -1 0 302.334 2.096 50 0 DEAARM O=C([O-])COc1ccccc1CN=Nc1ccc(Cl)nn1 ZINC000254499624 634572642 /nfs/dbraw/zinc/57/26/42/634572642.db2.gz CJHHVZDBVZGGCC-UHFFFAOYSA-N -1 0 306.709 2.039 50 0 DEAARM C/C=C(/C)C(=O)N[C@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000097036572 641616866 /nfs/dbraw/zinc/61/68/66/641616866.db2.gz 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KIDKWQGFAIOGDI-ZDUSSCGKSA-N -1 0 319.386 2.248 50 0 DEAARM Cc1n[nH]c(C)c1CNc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000072474309 191177744 /nfs/dbraw/zinc/17/77/44/191177744.db2.gz PQMWWWAGVNLIPG-UHFFFAOYSA-N -1 0 324.344 2.189 50 0 DEAARM O=C([O-])C1(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000154811866 304027700 /nfs/dbraw/zinc/02/77/00/304027700.db2.gz OUGDXHUZQYSKOT-LBPRGKRZSA-N -1 0 309.749 2.105 50 0 DEAARM Cc1c(Cl)cccc1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000002747004 180951610 /nfs/dbraw/zinc/95/16/10/180951610.db2.gz HVIFAXMXRFHMBW-VOAKCMCISA-N -1 0 307.733 2.241 50 0 DEAARM Cc1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccco2)cc1 ZINC000003025616 180977224 /nfs/dbraw/zinc/97/72/24/180977224.db2.gz OOBYYDOOXODEIT-GFCCVEGCSA-N -1 0 309.343 2.082 50 0 DEAARM O=c1c2cc3c(cc2[n-]c(=S)n1Cc1cccnc1)OCO3 ZINC000000425015 353989810 /nfs/dbraw/zinc/98/98/10/353989810.db2.gz GQDAOHHMFVAUPM-UHFFFAOYSA-N -1 0 313.338 2.231 50 0 DEAARM C[C@@H](Oc1ccccc1)C(=O)Nc1cc(O)ccc1C(=O)[O-] ZINC000004029809 181064758 /nfs/dbraw/zinc/06/47/58/181064758.db2.gz HZXFHKRNSGNOJT-SNVBAGLBSA-N -1 0 301.298 2.496 50 0 biogenic DEAARM CCc1cccc(C)c1NC(=O)[C@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004162868 181080241 /nfs/dbraw/zinc/08/02/41/181080241.db2.gz ZIVSMMZWULXRQI-RFGFWPKPSA-N -1 0 301.342 2.150 50 0 DEAARM O=S1(=O)CC[C@H]([N-]C(=S)SCc2cccc(F)c2)C1 ZINC000004279562 181091682 /nfs/dbraw/zinc/09/16/82/181091682.db2.gz VLQXMYFDXIEPIA-NSHDSACASA-N -1 0 319.448 2.121 50 0 DEAARM O=C([O-])c1cc(Br)ccc1NC(=O)[C@H]1CCCO1 ZINC000004825318 181157442 /nfs/dbraw/zinc/15/74/42/181157442.db2.gz BEASCMVYFBVAJR-SNVBAGLBSA-N -1 0 314.135 2.265 50 0 DEAARM O=C([O-])CC1(NC(=O)CCCN2CCCCC2=O)CCCCC1 ZINC000426491361 304043513 /nfs/dbraw/zinc/04/35/13/304043513.db2.gz DVGMMEORAOHXCC-UHFFFAOYSA-N -1 0 324.421 2.073 50 0 DEAARM CC[C@H]1CN(C(=O)c2n[nH]c(=O)[n-]2)CC[C@@H]1c1ccccc1 ZINC000074828124 191367083 /nfs/dbraw/zinc/36/70/83/191367083.db2.gz FCCWPBOUOBHFNP-AAEUAGOBSA-N -1 0 300.362 2.166 50 0 DEAARM O=C([O-])C1(NC(=O)c2cccc(NC(=O)C3CC3)c2)CCCC1 ZINC000075572356 191493944 /nfs/dbraw/zinc/49/39/44/191493944.db2.gz CPBQURDUHOWVDL-UHFFFAOYSA-N -1 0 316.357 2.162 50 0 DEAARM Cc1ccc(C)c(CS(=O)(=O)[N-]C(=O)CCc2ccoc2)c1 ZINC000170612244 355988883 /nfs/dbraw/zinc/98/88/83/355988883.db2.gz ZIQZHFFOOVDIQY-UHFFFAOYSA-N -1 0 321.398 2.475 50 0 DEAARM CN(CCC(=O)[O-])C(=O)CCSc1cc(F)ccc1F ZINC000170676022 355991005 /nfs/dbraw/zinc/99/10/05/355991005.db2.gz SYUUFLAMUQHTKU-UHFFFAOYSA-N -1 0 303.330 2.380 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cnc3ccccc3n2)C1 ZINC000195090882 356249616 /nfs/dbraw/zinc/24/96/16/356249616.db2.gz YYAUESIONJRQKS-GFCCVEGCSA-N -1 0 313.357 2.347 50 0 DEAARM CC[C@H](NC(=O)CN1CCC[C@@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000237000725 202115917 /nfs/dbraw/zinc/11/59/17/202115917.db2.gz FVLCSHFLZQOMBE-UONOGXRCSA-N -1 0 324.808 2.456 50 0 DEAARM COc1ccccc1C/C(C)=C/C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237114797 202157930 /nfs/dbraw/zinc/15/79/30/202157930.db2.gz OLJWVDSCNLPHDY-GCZGRYASSA-N -1 0 303.358 2.260 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000585134326 357336355 /nfs/dbraw/zinc/33/63/55/357336355.db2.gz NDRADLCITWXLHK-ZIAGYGMSSA-N -1 0 303.358 2.278 50 0 DEAARM O=C(CCSc1ccccc1)[N-]S(=O)(=O)C1(Cl)CC1 ZINC000585135963 357337451 /nfs/dbraw/zinc/33/74/51/357337451.db2.gz KODCPLANQKPYNY-UHFFFAOYSA-N -1 0 319.835 2.344 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccccc2)ccc1F ZINC000005872589 181292232 /nfs/dbraw/zinc/29/22/32/181292232.db2.gz DUVLOGAVNGLPSM-UHFFFAOYSA-N -1 0 309.318 2.002 50 0 DEAARM COc1cccc(/C(C)=C/C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c1 ZINC000237351988 202241802 /nfs/dbraw/zinc/24/18/02/202241802.db2.gz ONJLBAYMZUDJIF-XLNAKTSKSA-N -1 0 303.358 2.422 50 0 DEAARM COc1cccc(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1 ZINC000237371647 202246981 /nfs/dbraw/zinc/24/69/81/202246981.db2.gz BOQKCAOWDRFOPQ-CYBMUJFWSA-N -1 0 305.374 2.341 50 0 DEAARM C[C@@H](CN(C)C(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000237380167 202250075 /nfs/dbraw/zinc/25/00/75/202250075.db2.gz VBNIBGKNCRXILW-VIFPVBQESA-N -1 0 319.279 2.263 50 0 DEAARM O=C([O-])C[C@H](NC(=O)c1cnsn1)c1ccccc1Cl ZINC000095954008 304081902 /nfs/dbraw/zinc/08/19/02/304081902.db2.gz LNCFTQVEKKRYDV-VIFPVBQESA-N -1 0 311.750 2.137 50 0 DEAARM CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])C2CC2)cc1OCC ZINC000089267927 192754494 /nfs/dbraw/zinc/75/44/94/192754494.db2.gz DBPMOCAGEOYFLQ-ZDUSSCGKSA-N -1 0 321.373 2.467 50 0 DEAARM Cc1ccccc1[C@H](C)CC(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237539121 202276033 /nfs/dbraw/zinc/27/60/33/202276033.db2.gz LVONLPNJDCACDP-ZIAGYGMSSA-N -1 0 305.374 2.191 50 0 DEAARM Cc1ccccc1[C@H](C)CC(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237538547 202276737 /nfs/dbraw/zinc/27/67/37/202276737.db2.gz LVONLPNJDCACDP-KGLIPLIRSA-N -1 0 305.374 2.191 50 0 DEAARM Cc1cccc(OCCCCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000237708146 202332949 /nfs/dbraw/zinc/33/29/49/202332949.db2.gz WUGRXJOAKFVWFR-CQSZACIVSA-N -1 0 305.374 2.477 50 0 DEAARM Cc1cc(C)c(C(=O)NCc2cccc(OCC(=O)[O-])c2)o1 ZINC000237804138 202359497 /nfs/dbraw/zinc/35/94/97/202359497.db2.gz ZXTJSWPGFGXWQM-UHFFFAOYSA-N -1 0 303.314 2.290 50 0 DEAARM COc1ccc(/C(C)=C\C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000606441837 361008493 /nfs/dbraw/zinc/00/84/93/361008493.db2.gz MMUHJKNIDBIMHK-LUJNMSEFSA-N -1 0 303.358 2.422 50 0 DEAARM CCc1cc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)[nH]n1 ZINC000195551301 201407710 /nfs/dbraw/zinc/40/77/10/201407710.db2.gz PHLKBYPNUWRSHN-CYBMUJFWSA-N -1 0 301.346 2.226 50 0 DEAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)c2csc(C)c2)C1 ZINC000091635849 193082351 /nfs/dbraw/zinc/08/23/51/193082351.db2.gz YWTVJNZQEVDZQS-OAHLLOKOSA-N -1 0 311.403 2.400 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(F)(F)F ZINC000630301390 367581513 /nfs/dbraw/zinc/58/15/13/367581513.db2.gz KMXJDIOWKXFLFR-XVKPBYJWSA-N -1 0 304.268 2.487 50 0 DEAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000261636259 203084972 /nfs/dbraw/zinc/08/49/72/203084972.db2.gz DORFJKLRCWWLTB-DLBZAZTESA-N -1 0 323.348 2.201 50 0 DEAARM Cc1csc([C@H](NC(=O)c2cccc(C(=O)[O-])n2)C2CC2)n1 ZINC000262444619 203295856 /nfs/dbraw/zinc/29/58/56/203295856.db2.gz VFTSCGOKPXRGTG-GFCCVEGCSA-N -1 0 317.370 2.426 50 0 DEAARM C[C@@H](CN(C)C(=O)/C=C/c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000095970477 193467156 /nfs/dbraw/zinc/46/71/56/193467156.db2.gz MJLJUQYLVKWAMC-FGEFZZPRSA-N -1 0 321.764 2.180 50 0 DEAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1cc2c(s1)CCOC2 ZINC000263111877 304161732 /nfs/dbraw/zinc/16/17/32/304161732.db2.gz WMJMOSJRQIHGOG-CHIMOYNISA-N -1 0 321.398 2.146 50 0 DEAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2cccc(F)c2)s1 ZINC000012379810 181753406 /nfs/dbraw/zinc/75/34/06/181753406.db2.gz NATWVHVZBBORAJ-UHFFFAOYSA-N -1 0 315.351 2.041 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)Cc2ccc(F)cc2)cc1 ZINC000013442685 181850857 /nfs/dbraw/zinc/85/08/57/181850857.db2.gz VWERKLREUXIVOJ-UHFFFAOYSA-N -1 0 301.317 2.425 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1c[nH]c2cc(F)ccc12 ZINC000097235303 193696348 /nfs/dbraw/zinc/69/63/48/193696348.db2.gz QAAXLHSAKRLJSO-CQSZACIVSA-N -1 0 304.321 2.315 50 0 DEAARM Cc1cc2c([nH]c(=S)n([N-]C(=O)c3ccco3)c2=O)s1 ZINC000017031555 182069150 /nfs/dbraw/zinc/06/91/50/182069150.db2.gz KHHASPGHYIKWRE-UHFFFAOYSA-N -1 0 307.356 2.406 50 0 DEAARM COC(=O)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017031915 182069856 /nfs/dbraw/zinc/06/98/56/182069856.db2.gz JCLSTHHGAFIXJJ-IUCAKERBSA-N -1 0 309.343 2.140 50 0 DEAARM CS(=O)(=O)N(Cc1ccccc1F)c1ccccc1C(=O)[O-] ZINC000020130309 182189827 /nfs/dbraw/zinc/18/98/27/182189827.db2.gz OBZWRYGILKTVOH-UHFFFAOYSA-N -1 0 323.345 2.490 50 0 DEAARM O=C([O-])[C@@H](c1c[nH]c2cc(F)ccc21)[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000020719942 182243754 /nfs/dbraw/zinc/24/37/54/182243754.db2.gz ADMWFFKOZSQJTG-YMTOWFKASA-N -1 0 320.320 2.229 50 0 DEAARM Cc1nc2[n-]c(CNc3ccccc3Cl)nn2c(=O)c1C ZINC000021796244 182289556 /nfs/dbraw/zinc/28/95/56/182289556.db2.gz JDQOFHYCHGUEQU-UHFFFAOYSA-N -1 0 303.753 2.300 50 0 DEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccc(C)c(C)c1 ZINC000021883843 182295878 /nfs/dbraw/zinc/29/58/78/182295878.db2.gz FCQIRAUWVFFKFF-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCCC1 ZINC000021955727 182300458 /nfs/dbraw/zinc/30/04/58/182300458.db2.gz WEYRCDDSEVFBJA-HNNXBMFYSA-N -1 0 300.358 2.470 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000225950506 304186303 /nfs/dbraw/zinc/18/63/03/304186303.db2.gz AWUNLRUVQKGHNY-SNVBAGLBSA-N -1 0 316.126 2.277 50 0 DEAARM CC(C)Oc1cccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c1 ZINC000101347700 193811311 /nfs/dbraw/zinc/81/13/11/193811311.db2.gz VFZHDUBGBCJMHP-ZDUSSCGKSA-N -1 0 300.318 2.049 50 0 DEAARM O=C([O-])CCc1nnc(C(=O)Nc2cccc(Cl)c2)s1 ZINC000034927207 182745352 /nfs/dbraw/zinc/74/53/52/182745352.db2.gz PUVMOZJWRCQEFG-UHFFFAOYSA-N -1 0 311.750 2.461 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2csc(Br)c2)C1 ZINC000037436091 182893537 /nfs/dbraw/zinc/89/35/37/182893537.db2.gz SJGRAAGMHAUFMN-ZETCQYMHSA-N -1 0 318.192 2.447 50 0 DEAARM Cc1ccccc1OCCCC(=O)N[C@]1(C(=O)[O-])CCSC1 ZINC000271884711 209295059 /nfs/dbraw/zinc/29/50/59/209295059.db2.gz BELRLCIJPHYDSO-MRXNPFEDSA-N -1 0 323.414 2.231 50 0 DEAARM O=C([O-])c1ccc2c(c1)n(C[C@@H]1CCCO1)c(=O)n2CC1CC1 ZINC000055088250 183962997 /nfs/dbraw/zinc/96/29/97/183962997.db2.gz WSZBKYOKUZOIFL-ZDUSSCGKSA-N -1 0 316.357 2.090 50 0 DEAARM O=S(=O)([N-]c1cccc(Cl)c1)c1cccn2cnnc12 ZINC000062592023 184244212 /nfs/dbraw/zinc/24/42/12/184244212.db2.gz MPQYZYJBWXQGJO-UHFFFAOYSA-N -1 0 308.750 2.184 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)Nc2cc3n(n2)CCCC3)cc1 ZINC000262975114 304243456 /nfs/dbraw/zinc/24/34/56/304243456.db2.gz AZCUGXUGCYDLNV-UHFFFAOYSA-N -1 0 314.345 2.239 50 0 DEAARM C[C@@H]1CCCN(C(=O)[C@@H]2OCCc3ccccc32)[C@H]1C(=O)[O-] ZINC000318510350 296376577 /nfs/dbraw/zinc/37/65/77/296376577.db2.gz GTCPDEAPMNVOBZ-KCPJHIHWSA-N -1 0 303.358 2.012 50 0 DEAARM O=C([O-])c1cccc(/C=c2\sc3nc4ccccc4n3c2=O)c1 ZINC000000080916 304255465 /nfs/dbraw/zinc/25/54/65/304255465.db2.gz RHNFNWGBHCMFSH-ZROIWOOFSA-N -1 0 322.345 2.155 50 0 DEAARM COc1cc([C@H](C)NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1OC(C)C ZINC000299748980 533127679 /nfs/dbraw/zinc/12/76/79/533127679.db2.gz ISZJCABCZXXMAK-UHTWSYAYSA-N -1 0 321.373 2.380 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)CCO2 ZINC000237995713 257237980 /nfs/dbraw/zinc/23/79/80/257237980.db2.gz DDSFLTOXQDKGLG-CQSZACIVSA-N -1 0 303.358 2.481 50 0 DEAARM C[C@@H](C(=O)Nc1nc2n(c1C(=O)[O-])CCCC2)c1cccnc1 ZINC000685944191 542768986 /nfs/dbraw/zinc/76/89/86/542768986.db2.gz YLYXTFASOJYJDG-SNVBAGLBSA-N -1 0 314.345 2.055 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1 ZINC000042623627 292013735 /nfs/dbraw/zinc/01/37/35/292013735.db2.gz CJUCLFDRDUFYLR-OLZOCXBDSA-N -1 0 317.341 2.387 50 0 DEAARM O=C([O-])CCCC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000000204784 134431070 /nfs/dbraw/zinc/43/10/70/134431070.db2.gz DYHIYKFBLHNKCE-UHFFFAOYSA-N -1 0 310.781 2.244 50 0 DEAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000261641344 145213251 /nfs/dbraw/zinc/21/32/51/145213251.db2.gz ACNNHGRPTQPDDR-SMDDNHRTSA-N -1 0 313.275 2.192 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2cnc([C@H]3CCCO3)s2)o1 ZINC000262756527 145303242 /nfs/dbraw/zinc/30/32/42/145303242.db2.gz JTGPAEUBDRKQNL-SECBINFHSA-N -1 0 322.342 2.216 50 0 DEAARM O=C([O-])c1ccc(C(=O)NCCc2cnc(C3CC3)nc2)s1 ZINC000262749740 145303720 /nfs/dbraw/zinc/30/37/20/145303720.db2.gz JETKIBZTZSYQOK-UHFFFAOYSA-N -1 0 317.370 2.086 50 0 DEAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CCc2ccoc2)C1 ZINC000262929794 145312125 /nfs/dbraw/zinc/31/21/25/145312125.db2.gz GXCBZWOFXFMKFM-GFCCVEGCSA-N -1 0 305.252 2.078 50 0 DEAARM COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(F)cc1 ZINC000007401941 401739660 /nfs/dbraw/zinc/73/96/60/401739660.db2.gz AUPGOMPFRBHVDK-UHFFFAOYSA-N -1 0 309.318 2.413 50 0 DEAARM Cc1sc(NC(=O)c2ccccc2C(=O)[O-])c(C(N)=O)c1C ZINC000000045826 401687485 /nfs/dbraw/zinc/68/74/85/401687485.db2.gz OPQDHGPIIGVNSA-UHFFFAOYSA-N -1 0 318.354 2.414 50 0 DEAARM CCOC(=O)c1c2c(sc1[N-]S(C)(=O)=O)C[C@@H](C)CC2 ZINC000000117822 401688205 /nfs/dbraw/zinc/68/82/05/401688205.db2.gz JYCBBNZKFZJOHB-QMMMGPOBSA-N -1 0 317.432 2.421 50 0 DEAARM CC[C@@](NS(=O)(=O)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000000269253 401692802 /nfs/dbraw/zinc/69/28/02/401692802.db2.gz DULROBPPXIHIIE-INIZCTEOSA-N -1 0 319.382 2.355 50 0 DEAARM CCOC(=O)c1c([O-])cc(=O)n(-c2ccc(OC)cc2)c1C ZINC000000715598 401702889 /nfs/dbraw/zinc/70/28/89/401702889.db2.gz KITGERKHVWHYBL-UHFFFAOYSA-N -1 0 303.314 2.037 50 0 DEAARM Cc1cccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)n1 ZINC000001321686 401705432 /nfs/dbraw/zinc/70/54/32/401705432.db2.gz UCDNPDNAVOYVES-UHFFFAOYSA-N -1 0 321.336 2.219 50 0 DEAARM COCCOC(=O)c1c(C)oc2ccc(O[C@H](C)C(=O)[O-])cc21 ZINC000001782607 401710328 /nfs/dbraw/zinc/71/03/28/401710328.db2.gz ODAPTVSSFGLOLG-SNVBAGLBSA-N -1 0 322.313 2.396 50 0 biogenic DEAARM CCOC(=O)[C@@](NC(C)=O)(Nc1cccc(F)c1)C(F)(F)F ZINC000002322932 401712789 /nfs/dbraw/zinc/71/27/89/401712789.db2.gz SACQLGGECWDETR-GFCCVEGCSA-N -1 0 322.258 2.195 50 0 DEAARM COc1ccc(/C=C/C(=O)N[C@H](CCSC)C(=O)[O-])cc1 ZINC000002626438 401716018 /nfs/dbraw/zinc/71/60/18/401716018.db2.gz ARVMHKTZMCUMDI-OQHXTRMZSA-N -1 0 309.387 2.031 50 0 DEAARM Cc1cc(C(F)F)nn1CC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000002767780 401717682 /nfs/dbraw/zinc/71/76/82/401717682.db2.gz DNSKFISWGVKAOH-UHFFFAOYSA-N -1 0 309.272 2.466 50 0 DEAARM O=C([O-])C[C@H](NC(=O)COc1ccccc1)c1cccs1 ZINC000013388976 401799258 /nfs/dbraw/zinc/79/92/58/401799258.db2.gz PNKMQUGDRQFEEE-LBPRGKRZSA-N -1 0 305.355 2.459 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N1CCC[C@@H](C)C1 ZINC000013419645 401799590 /nfs/dbraw/zinc/79/95/90/401799590.db2.gz XRRGPQKLNLEQIJ-LLVKDONJSA-N -1 0 307.346 2.031 50 0 DEAARM CC[C@@H]1CCCCN1C(=O)COc1ccc(CC(=O)[O-])cc1 ZINC000013420655 401799934 /nfs/dbraw/zinc/79/99/34/401799934.db2.gz HZDOFSHCEMXZLZ-CQSZACIVSA-N -1 0 305.374 2.484 50 0 DEAARM O=C([O-])C1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1 ZINC000011568668 401775069 /nfs/dbraw/zinc/77/50/69/401775069.db2.gz HLWMPBIRTTYIBL-UHFFFAOYSA-N -1 0 323.356 2.117 50 0 DEAARM C[C@@H](Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1)C(=O)[O-] ZINC000012364889 401783925 /nfs/dbraw/zinc/78/39/25/401783925.db2.gz XIRBRWFZIDGGSD-XNYAHFKXSA-N -1 0 307.327 2.205 50 0 DEAARM Cc1nn(C)c(C)c1OCC(=O)Nc1cc(C(=O)[O-])ccc1C ZINC000128689556 401788342 /nfs/dbraw/zinc/78/83/42/401788342.db2.gz BPYRFUXYJSSUFN-UHFFFAOYSA-N -1 0 317.345 2.061 50 0 DEAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccccc2O)c1 ZINC000013143394 401796924 /nfs/dbraw/zinc/79/69/24/401796924.db2.gz GWEIKCNJAGZMLG-UHFFFAOYSA-N -1 0 309.343 2.210 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2cc(-c3cccs3)[nH]n2)cn1 ZINC000077888163 401835844 /nfs/dbraw/zinc/83/58/44/401835844.db2.gz REKPAAFXDLKZHR-UHFFFAOYSA-N -1 0 323.403 2.155 50 0 DEAARM O=C([O-])CCC(=O)Nc1ccn(Cc2ccccc2Cl)n1 ZINC000028226793 401850557 /nfs/dbraw/zinc/85/05/57/401850557.db2.gz MJZZBLGSSSDLKR-UHFFFAOYSA-N -1 0 307.737 2.388 50 0 DEAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000036351191 401904408 /nfs/dbraw/zinc/90/44/08/401904408.db2.gz UXFJCLGFSHHHSF-HZMBPMFUSA-N -1 0 302.330 2.090 50 0 DEAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCCC2)c2ccc(C(=O)[O-])cc21 ZINC000036360825 401904920 /nfs/dbraw/zinc/90/49/20/401904920.db2.gz LIHHBYFHMHMLQH-AWEZNQCLSA-N -1 0 302.330 2.098 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)CCOc2cccc(Cl)c2)C1 ZINC000037436426 401913546 /nfs/dbraw/zinc/91/35/46/401913546.db2.gz NCQWUULXJWGWAB-NSHDSACASA-N -1 0 311.765 2.432 50 0 DEAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CCCCCC1 ZINC000044917273 401951063 /nfs/dbraw/zinc/95/10/63/401951063.db2.gz UVECKFJYFAJYEU-UHFFFAOYSA-N -1 0 303.387 2.228 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2coc(-c3ccccc3)n2)CC1 ZINC000136097746 401960105 /nfs/dbraw/zinc/96/01/05/401960105.db2.gz VUHDSYBOYABFAC-UHFFFAOYSA-N -1 0 300.314 2.278 50 0 DEAARM COc1cccc2cc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)oc21 ZINC000136161967 401961917 /nfs/dbraw/zinc/96/19/17/401961917.db2.gz JCXOSURWJQZKGJ-LLVKDONJSA-N -1 0 303.314 2.378 50 0 DEAARM CN(CCC(=O)[O-])C(=O)COc1ccc(C(F)(F)F)cc1 ZINC000089340317 401942814 /nfs/dbraw/zinc/94/28/14/401942814.db2.gz UAPXSALGOXZVSA-UHFFFAOYSA-N -1 0 305.252 2.017 50 0 DEAARM O=C(NCc1cccs1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409557 402016694 /nfs/dbraw/zinc/01/66/94/402016694.db2.gz WEGBABWMBDOVFO-UHFFFAOYSA-N -1 0 306.368 2.287 50 0 DEAARM CN(Cc1cc(C2CC2)n[nH]1)[C@H](C(=O)[O-])c1ccc(O)cc1 ZINC000095383042 402031155 /nfs/dbraw/zinc/03/11/55/402031155.db2.gz ULADVMGXGHJYDF-HNNXBMFYSA-N -1 0 301.346 2.250 50 0 DEAARM O=C([O-])[C@H](c1ccc(N2CCCCC2)nc1)N1CCSCC1 ZINC000095388755 402031876 /nfs/dbraw/zinc/03/18/76/402031876.db2.gz BMIVZPAZKORGTM-HNNXBMFYSA-N -1 0 321.446 2.246 50 0 DEAARM O=C([O-])CCCNC(=O)CCc1ccccc1Br ZINC000095969605 402038476 /nfs/dbraw/zinc/03/84/76/402038476.db2.gz OUSBZQFABZFATC-UHFFFAOYSA-N -1 0 314.179 2.363 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@H]1C[C@H]1c1cccc(OC)c1)C(=O)[O-] ZINC000095969880 402038597 /nfs/dbraw/zinc/03/85/97/402038597.db2.gz QIBSCBHHGBNZGW-HJPIBITLSA-N -1 0 305.374 2.414 50 0 DEAARM O=C(c1cc(F)cc(Cl)c1[O-])N1CCC(n2ccnn2)CC1 ZINC000096487042 402095257 /nfs/dbraw/zinc/09/52/57/402095257.db2.gz DXPFXRRWVYJNFI-UHFFFAOYSA-N -1 0 324.743 2.254 50 0 DEAARM CC[C@@H](C)[C@@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC000098038004 402135281 /nfs/dbraw/zinc/13/52/81/402135281.db2.gz OSMDYMQYNMGAOT-BDJLRTHQSA-N -1 0 318.373 2.265 50 0 DEAARM CCCCN1Cc2c(nc3cc(C(C)(C)C)[n-]n3c2=O)C1=O ZINC000100229509 402140602 /nfs/dbraw/zinc/14/06/02/402140602.db2.gz LKPQUNNGOLAQDZ-UHFFFAOYSA-N -1 0 302.378 2.076 50 0 DEAARM O=c1c2[n-][nH]n(Cc3cccc(F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101417231 402144737 /nfs/dbraw/zinc/14/47/37/402144737.db2.gz ADHUWDJTSRIUFR-CABCVRRESA-N -1 0 324.315 2.319 50 0 DEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1cc2ccccc2[nH]1)C(=O)[O-] ZINC000067946626 402179718 /nfs/dbraw/zinc/17/97/18/402179718.db2.gz NAFLTCQMJYHWNN-CQSZACIVSA-N -1 0 312.329 2.064 50 0 DEAARM CCCCc1nc(CN2CCCn3nc(C(=O)[O-])cc3C2)c[nH]1 ZINC000067514135 402161537 /nfs/dbraw/zinc/16/15/37/402161537.db2.gz AVWUYYNGPHAKIV-UHFFFAOYSA-N -1 0 317.393 2.053 50 0 DEAARM COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccc(F)c1 ZINC000069492062 402226939 /nfs/dbraw/zinc/22/69/39/402226939.db2.gz QOXBCINYYCMQBC-UKRRQHHQSA-N -1 0 309.337 2.227 50 0 DEAARM CC(C)(C)C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(F)cc1 ZINC000069570953 402231868 /nfs/dbraw/zinc/23/18/68/402231868.db2.gz DOKPZYUMEXSQNV-LLVKDONJSA-N -1 0 306.341 2.144 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(CCCn2ccnc2)[C@H]1c1ccsc1 ZINC000069632858 402235692 /nfs/dbraw/zinc/23/56/92/402235692.db2.gz TVSNEYZGWQJQCS-OCCSQVGLSA-N -1 0 319.386 2.009 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2nccs2)s1 ZINC000069697461 402238539 /nfs/dbraw/zinc/23/85/39/402238539.db2.gz CHXCOXOOVOCCAI-ONEGZZNKSA-N -1 0 314.413 2.031 50 0 DEAARM COCCc1nnc([N-]C(=O)c2cc(-c3ccccc3)on2)o1 ZINC000070635620 402262419 /nfs/dbraw/zinc/26/24/19/402262419.db2.gz DQCJLEWHVIXESN-UHFFFAOYSA-N -1 0 314.301 2.166 50 0 DEAARM O=C(c1ccc(O)cn1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000215953569 402285727 /nfs/dbraw/zinc/28/57/27/402285727.db2.gz IGYDDNDJMUKKMO-OAHLLOKOSA-N -1 0 313.357 2.004 50 0 DEAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)c1nc2cc(F)ccc2[nH]1 ZINC000217768111 402293983 /nfs/dbraw/zinc/29/39/83/402293983.db2.gz XPEHJQZUSUDUIC-HNNXBMFYSA-N -1 0 305.309 2.171 50 0 DEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000236907453 402387964 /nfs/dbraw/zinc/38/79/64/402387964.db2.gz LDBIDFFRPDWEID-UONOGXRCSA-N -1 0 318.417 2.145 50 0 DEAARM CCC[N-]S(=O)(=O)c1cc(F)c(Br)cc1F ZINC000161957846 402405158 /nfs/dbraw/zinc/40/51/58/402405158.db2.gz YMCYDPAVISCZHP-UHFFFAOYSA-N -1 0 314.151 2.416 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)COc2ccc(F)cc2)C1 ZINC000237950086 402427137 /nfs/dbraw/zinc/42/71/37/402427137.db2.gz ZSDGLKDRFNEKPI-LBPRGKRZSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])C[C@H](NC(=O)[C@H]1CCCO1)c1ccc(Cl)c(F)c1 ZINC000237963662 402428433 /nfs/dbraw/zinc/42/84/33/402428433.db2.gz GIIRBFHDUYKMQQ-NWDGAFQWSA-N -1 0 315.728 2.290 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1csc(-c2ccoc2)n1 ZINC000238043830 402434330 /nfs/dbraw/zinc/43/43/30/402434330.db2.gz WPJIXTGQOOMTPO-GFCCVEGCSA-N -1 0 320.370 2.411 50 0 DEAARM O=C([O-])CN(C(=O)Cc1c[nH]c2cc(Cl)ccc12)C1CC1 ZINC000238074915 402436363 /nfs/dbraw/zinc/43/63/63/402436363.db2.gz BQOPJXXMKYLCKE-UHFFFAOYSA-N -1 0 306.749 2.439 50 0 DEAARM CCOC(=O)c1sc(NC(=O)C[C@H](C)CC(=O)[O-])nc1C ZINC000238950240 402441022 /nfs/dbraw/zinc/44/10/22/402441022.db2.gz XHIHZGHMTGUDFN-ZETCQYMHSA-N -1 0 314.363 2.068 50 0 DEAARM Cc1cc2occ(C(=O)N(C)C[C@@H](C)c3nnn[n-]3)c2cc1C ZINC000187351826 402495855 /nfs/dbraw/zinc/49/58/55/402495855.db2.gz BRHPBYPJZBKYQI-LLVKDONJSA-N -1 0 313.361 2.438 50 0 DEAARM C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000247324113 402563771 /nfs/dbraw/zinc/56/37/71/402563771.db2.gz SZBPSISNSRVLLW-DZGCQCFKSA-N -1 0 316.401 2.151 50 0 DEAARM C[C@H](Oc1cccnc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000248565211 402596019 /nfs/dbraw/zinc/59/60/19/402596019.db2.gz PIOBWWGOONIXLA-JURCDPSOSA-N -1 0 318.373 2.093 50 0 DEAARM CC[C@H](C(=O)[O-])N(CC)CC(=O)Nc1c(F)cccc1F ZINC000191396675 402666235 /nfs/dbraw/zinc/66/62/35/402666235.db2.gz CPFZBFFCAJCKJL-LLVKDONJSA-N -1 0 300.305 2.088 50 0 DEAARM Cc1ccsc1[C@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000253428295 402666619 /nfs/dbraw/zinc/66/66/19/402666619.db2.gz PVRZTWDLDAQLEG-WDEREUQCSA-N -1 0 322.411 2.060 50 0 DEAARM CO[C@@H]1[C@@H](C)[C@@H](NC(=O)CCc2ccccc2C(=O)[O-])C1(C)C ZINC000262749385 402730057 /nfs/dbraw/zinc/73/00/57/402730057.db2.gz JUXMQGBFGRNEMS-IUIKQTSFSA-N -1 0 319.401 2.493 50 0 DEAARM Cc1ccc(F)c(OCC(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])c1 ZINC000263030959 402741866 /nfs/dbraw/zinc/74/18/66/402741866.db2.gz QVLAYBWOZIQFHT-MQIPJXDCSA-N -1 0 321.348 2.225 50 0 DEAARM O=C1CCCc2cc(S(=O)(=O)[N-]c3ccccn3)ccc2N1 ZINC000192669058 402743229 /nfs/dbraw/zinc/74/32/29/402743229.db2.gz LIDFDKLGLDFPRA-UHFFFAOYSA-N -1 0 317.370 2.157 50 0 DEAARM C[C@H](CN(C)C(=O)c1ccc(C(F)(F)F)cc1)c1nnn[n-]1 ZINC000183416146 402765158 /nfs/dbraw/zinc/76/51/58/402765158.db2.gz HSMYPOINPBKTFB-MRVPVSSYSA-N -1 0 313.283 2.094 50 0 DEAARM CO[C@H]1CCCC[C@@H]1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000263528194 402777987 /nfs/dbraw/zinc/77/79/87/402777987.db2.gz LCEYLAWPIQGFMM-GJZGRUSLSA-N -1 0 305.374 2.391 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@@H]1CCCOC1 ZINC000263533744 402778349 /nfs/dbraw/zinc/77/83/49/402778349.db2.gz NPRORJKHNWPILI-HZPDHXFCSA-N -1 0 315.369 2.256 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C2CCOCC2)cc1 ZINC000263580517 402784617 /nfs/dbraw/zinc/78/46/17/402784617.db2.gz WAFLZCJPZQKSCY-HNNXBMFYSA-N -1 0 303.358 2.416 50 0 DEAARM CCCC[C@H](CC(=O)[O-])NC(=O)c1cc2cc(C)ccn2n1 ZINC000426399256 405357549 /nfs/dbraw/zinc/35/75/49/405357549.db2.gz QAJGBDHCWWJBIM-GFCCVEGCSA-N -1 0 303.362 2.406 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)N(C)CCc1scnc1C)C(=O)[O-] ZINC000426359352 405354263 /nfs/dbraw/zinc/35/42/63/405354263.db2.gz ARISQUWRDSPZIC-CABZTGNLSA-N -1 0 313.423 2.135 50 0 DEAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)Cc2ccncc2C)c1 ZINC000426707449 405375567 /nfs/dbraw/zinc/37/55/67/405375567.db2.gz QBXBSSBPCGDKGD-UHFFFAOYSA-N -1 0 314.341 2.369 50 0 DEAARM COc1cc(C)ccc1OCCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000583652312 405781748 /nfs/dbraw/zinc/78/17/48/405781748.db2.gz QCCQSZRVINUVOL-ZDUSSCGKSA-N -1 0 321.373 2.096 50 0 DEAARM O=C(c1ccc2[n-]c(=S)oc2c1)N1CCCC[C@H]1CCO ZINC000133902272 196344664 /nfs/dbraw/zinc/34/46/64/196344664.db2.gz AIBUGGDGHLZGSK-NSHDSACASA-N -1 0 306.387 2.494 50 0 DEAARM Cc1cccc(C[C@H](CNC(=O)[C@@H]2C[C@H]2C2CC2)C(=O)[O-])c1 ZINC000299743052 229379456 /nfs/dbraw/zinc/37/94/56/229379456.db2.gz JQDQURRFCXORAT-OWCLPIDISA-N -1 0 301.386 2.401 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)C1 ZINC000299744595 229384253 /nfs/dbraw/zinc/38/42/53/229384253.db2.gz TUKIAFLJCMSDAP-CQSZACIVSA-N -1 0 323.348 2.464 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2cc3ccccc3o2)CCO1 ZINC000299747636 229390804 /nfs/dbraw/zinc/39/08/04/229390804.db2.gz DMFLTOAFUVLGSY-AWEZNQCLSA-N -1 0 317.341 2.068 50 0 DEAARM COc1cc(C)c([C@H](C)N2C[C@H](C(=O)[O-])CC2=O)cc1OC ZINC000044979091 424815315 /nfs/dbraw/zinc/81/53/15/424815315.db2.gz SBWLVKNHWXJDJX-WDEREUQCSA-N -1 0 307.346 2.006 50 0 DEAARM CC[C@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CSc2ccccc21 ZINC000118601184 424852515 /nfs/dbraw/zinc/85/25/15/424852515.db2.gz JSPFOAZNIKJCGE-CMPLNLGQSA-N -1 0 313.444 2.368 50 0 DEAARM CC(C)(C(=O)[O-])S(=O)(=O)c1ccc(Br)cc1 ZINC000037934658 278278413 /nfs/dbraw/zinc/27/84/13/278278413.db2.gz RSQKRUYZPIALKA-UHFFFAOYSA-N -1 0 307.165 2.086 50 0 DEAARM CC(C)(C)OC(=O)N1CC(=O)C(=C([O-])c2ccc(F)cc2)C1 ZINC000101748293 278378051 /nfs/dbraw/zinc/37/80/51/278378051.db2.gz SQROSSWQELQNQW-GFCCVEGCSA-N -1 0 307.321 2.444 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000002541486 278399468 /nfs/dbraw/zinc/39/94/68/278399468.db2.gz JGOFKAHLQQITIG-UHFFFAOYSA-N -1 0 320.389 2.438 50 0 DEAARM C[C@@H]1C[C@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CCO1 ZINC000262604271 297332886 /nfs/dbraw/zinc/33/28/86/297332886.db2.gz AEDRZNHNKAHUIC-UXIGCNINSA-N -1 0 303.358 2.012 50 0 DEAARM CCCC[C@@H](C)C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072407538 331930169 /nfs/dbraw/zinc/93/01/69/331930169.db2.gz QYHWODBYPHCNSC-CYBMUJFWSA-N -1 0 307.394 2.112 50 0 DEAARM COCCn1c2ccc(C(=O)[O-])cc2nc1-c1c(C)n[nH]c1C ZINC000534636240 334309396 /nfs/dbraw/zinc/30/93/96/334309396.db2.gz PGBZQILOYLZPHG-UHFFFAOYSA-N -1 0 314.345 2.388 50 0 DEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1scnc1C1CC1 ZINC000190806302 337088471 /nfs/dbraw/zinc/08/84/71/337088471.db2.gz KOAWXGTZJAOYRL-LLVKDONJSA-N -1 0 324.402 2.116 50 0 DEAARM CCn1cc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])cn1 ZINC000097228682 337382281 /nfs/dbraw/zinc/38/22/81/337382281.db2.gz 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635528937 /nfs/dbraw/zinc/52/89/37/635528937.db2.gz KONWVPISIKUMGC-YXMGTMDOSA-N -1 0 314.385 2.095 50 0 DEAARM O=C([O-])[C@@]1(O)CCCN(Cc2c(Cl)cccc2Cl)C1 ZINC000888097545 635541656 /nfs/dbraw/zinc/54/16/56/635541656.db2.gz PNBLYLDNDQQXOD-CYBMUJFWSA-N -1 0 304.173 2.405 50 0 DEAARM C[C@](CNC(=O)[C@@H]1Cc2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000263240516 640148320 /nfs/dbraw/zinc/14/83/20/640148320.db2.gz CDXHURZUMMMHDE-VQIMIIECSA-N -1 0 309.365 2.485 50 0 DEAARM O=S(=O)(CCOCC1CC1)[N-]c1nsc2ccccc21 ZINC000585129802 790324970 /nfs/dbraw/zinc/32/49/70/790324970.db2.gz XGRDMDCKPLJZTP-UHFFFAOYSA-N -1 0 312.416 2.465 50 0 DEAARM O=C([O-])COc1cccc(C(=O)NC[C@@H]2CCC[C@@H](F)C2)c1 ZINC000952876036 792792236 /nfs/dbraw/zinc/79/22/36/792792236.db2.gz MXQCUUXKSFOLOU-DGCLKSJQSA-N -1 0 309.337 2.408 50 0 DEAARM Cc1cccc(C)c1OC1CN(Cc2nc(C(=O)[O-])co2)C1 ZINC001529120556 1070868811 /nfs/dbraw/zinc/86/88/11/1070868811.db2.gz BEPHFDCRSZASIN-UHFFFAOYSA-N -1 0 302.330 2.253 50 0 DEAARM COc1ccc2c(cc(C(=O)N3CCC(C(=O)[O-])CC3)n2C)c1 ZINC000095521264 185377471 /nfs/dbraw/zinc/37/74/71/185377471.db2.gz VHTNPGQOHYRRPD-UHFFFAOYSA-N -1 0 316.357 2.124 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)CSCC1CC1 ZINC000426545025 230804803 /nfs/dbraw/zinc/80/48/03/230804803.db2.gz JEQNCYCKRVVKNC-CQSZACIVSA-N -1 0 305.399 2.168 50 0 DEAARM CO[C@@H](C)c1nc(C)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000165533057 197677680 /nfs/dbraw/zinc/67/76/80/197677680.db2.gz ZYSBZWZPUTUTJD-UWVGGRQHSA-N -1 0 312.391 2.096 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)c2ccnc(Cl)c2)cc1 ZINC000095399184 185353894 /nfs/dbraw/zinc/35/38/94/185353894.db2.gz UQGFNKJDMQRYBM-UHFFFAOYSA-N -1 0 304.733 2.406 50 0 DEAARM CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C)c1 ZINC000095424676 185361363 /nfs/dbraw/zinc/36/13/63/185361363.db2.gz PVNQEGJDHKYARO-FZMZJTMJSA-N -1 0 321.373 2.272 50 0 DEAARM COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])cc1O ZINC000016156157 190641378 /nfs/dbraw/zinc/64/13/78/190641378.db2.gz FMGRRATWBSCEBF-UKTHLTGXSA-N -1 0 313.309 2.256 50 0 DEAARM O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1cccnc1 ZINC000097018133 185397742 /nfs/dbraw/zinc/39/77/42/185397742.db2.gz BNRJRSREWAPZBB-UHFFFAOYSA-N -1 0 320.295 2.477 50 0 DEAARM Cc1cccc(Cl)c1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000095470257 185372571 /nfs/dbraw/zinc/37/25/71/185372571.db2.gz ACBCMQIWJWABEC-UHFFFAOYSA-N -1 0 320.732 2.147 50 0 DEAARM CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(C(=O)[O-])c1 ZINC000299744044 529991441 /nfs/dbraw/zinc/99/14/41/529991441.db2.gz QHMSPZDYNDLPIQ-UHFFFAOYSA-N -1 0 313.309 2.386 50 0 DEAARM CC(=O)Nc1cc(C(=O)NC2CCC(C(=O)[O-])CC2)ccc1C ZINC000236756894 282372672 /nfs/dbraw/zinc/37/26/72/282372672.db2.gz HAINHKNTXSWOEC-UHFFFAOYSA-N -1 0 318.373 2.327 50 0 DEAARM O=c1c(Cl)c(Cl)cnn1-c1ccc([S@@](=O)[O-])cc1 ZINC000125981036 539475148 /nfs/dbraw/zinc/47/51/48/539475148.db2.gz PVOLODNZFXHXGU-UHFFFAOYSA-N -1 0 305.142 2.120 50 0 DEAARM Cn1cc([C@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccsc2)cn1 ZINC000069738543 190808692 /nfs/dbraw/zinc/80/86/92/190808692.db2.gz URLKSZMOKSFRHK-JSGCOSHPSA-N -1 0 319.386 2.046 50 0 DEAARM CN(CCOc1cccc(F)c1)C(=O)c1cccc(C(=O)[O-])n1 ZINC000170044099 539614202 /nfs/dbraw/zinc/61/42/02/539614202.db2.gz NJYPSPKACWQYTB-UHFFFAOYSA-N -1 0 318.304 2.070 50 0 DEAARM O=C([O-])c1ccccc1CC(=O)N1CCN(c2ccccc2)CC1 ZINC000071279994 190952051 /nfs/dbraw/zinc/95/20/51/190952051.db2.gz QFLATPFLEMBXSE-UHFFFAOYSA-N -1 0 324.380 2.276 50 0 DEAARM O=C([O-])c1n[nH]cc1CN1CCC[C@@H](C(=O)c2cccs2)C1 ZINC000071750558 191022303 /nfs/dbraw/zinc/02/23/03/191022303.db2.gz AHJFJOYAQYHJMW-SNVBAGLBSA-N -1 0 319.386 2.264 50 0 DEAARM COc1ccc(CC(=O)NC2(C(=O)[O-])CCCC2)c(Cl)c1 ZINC000150093154 186054501 /nfs/dbraw/zinc/05/45/01/186054501.db2.gz SHNLWPPWBTZNPT-UHFFFAOYSA-N -1 0 311.765 2.405 50 0 DEAARM Cc1noc(C)c1C[C@@H](C)C(=O)N(C[C@H](C)C(=O)[O-])C1CC1 ZINC000237454748 186291932 /nfs/dbraw/zinc/29/19/32/186291932.db2.gz WLJJZIWPVBAWJN-ZJUUUORDSA-N -1 0 308.378 2.182 50 0 DEAARM O=S(=O)([O-])c1cccc(Nc2nc(Cl)nc(Cl)n2)c1 ZINC000003001624 180975948 /nfs/dbraw/zinc/97/59/48/180975948.db2.gz SFTJUQRNFXITDQ-UHFFFAOYSA-N -1 0 321.145 2.169 50 0 DEAARM CSc1ncc(C(=O)[O-])c(NCc2ccc3c(c2)OCO3)n1 ZINC000000383940 353989695 /nfs/dbraw/zinc/98/96/95/353989695.db2.gz XODYUAKTVQVWDQ-UHFFFAOYSA-N -1 0 319.342 2.238 50 0 DEAARM COc1cc(/C=C/C(=O)N[C@@H](CC(C)C)C(=O)[O-])ccc1O ZINC000004090702 181072179 /nfs/dbraw/zinc/07/21/79/181072179.db2.gz YKXOGYHXPMDNJC-PZBABLGHSA-N -1 0 307.346 2.030 50 0 biogenic DEAARM O=C([O-])CCCCCN1C(=O)[C@@H]2Cc3ccccc3CN2C1=O ZINC000004089337 181072245 /nfs/dbraw/zinc/07/22/45/181072245.db2.gz OAXNHNUNWHXGMK-AWEZNQCLSA-N -1 0 316.357 2.021 50 0 biogenic DEAARM Cc1ccc(Sc2ncccc2C(=O)NCC(=O)[O-])cc1 ZINC000004300676 181094643 /nfs/dbraw/zinc/09/46/43/181094643.db2.gz OYZWBVDLMBCTMF-UHFFFAOYSA-N -1 0 302.355 2.356 50 0 DEAARM CCCCNC(=O)[N-]S(=O)(=O)c1c(C)cc(C)nc1Cl ZINC000004535774 181120962 /nfs/dbraw/zinc/12/09/62/181120962.db2.gz SERZSDFDPGMJBU-UHFFFAOYSA-N -1 0 319.814 2.140 50 0 DEAARM COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CC[C@H](C)C2 ZINC000004904009 181170845 /nfs/dbraw/zinc/17/08/45/181170845.db2.gz RSALICGIYNRVAK-GJIOHYHPSA-N -1 0 323.370 2.239 50 0 DEAARM CCOc1ccc(Cc2nnc(Nc3cccnc3)[n-]c2=O)cc1 ZINC000005154619 181211402 /nfs/dbraw/zinc/21/14/02/181211402.db2.gz RAKGBAKSBFHALX-UHFFFAOYSA-N -1 0 323.356 2.293 50 0 DEAARM C[C@H](CC(=O)[N-]S(=O)(=O)N1CCCCC1)C1CCCCC1 ZINC000170617056 355990331 /nfs/dbraw/zinc/99/03/31/355990331.db2.gz RGTWAJANEWCMLM-CYBMUJFWSA-N -1 0 316.467 2.440 50 0 DEAARM O=C([O-])[C@H](CNC(=O)Cc1cccc(F)c1)Cc1ccccc1 ZINC000195542039 356256207 /nfs/dbraw/zinc/25/62/07/356256207.db2.gz LBFCFSNJPDGFTP-HNNXBMFYSA-N -1 0 315.344 2.428 50 0 DEAARM O=C(CSc1nncc(=O)[n-]1)Nc1ccc2ccccc2c1 ZINC000005762776 181281422 /nfs/dbraw/zinc/28/14/22/181281422.db2.gz JAUIUCZRUOUPJN-UHFFFAOYSA-N -1 0 312.354 2.461 50 0 DEAARM COc1ccccc1C/C(C)=C/C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237115214 202157961 /nfs/dbraw/zinc/15/79/61/202157961.db2.gz HXEDCCLMPVUSDK-IEZBTEQYSA-N -1 0 303.358 2.117 50 0 DEAARM COc1ccc2c(CC(=O)N3CCCC[C@@H]3C(=O)[O-])coc2c1 ZINC000237266661 202211125 /nfs/dbraw/zinc/21/11/25/202211125.db2.gz BUQHFVXWGXFTOI-CQSZACIVSA-N -1 0 317.341 2.450 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000178271039 198840597 /nfs/dbraw/zinc/84/05/97/198840597.db2.gz DWYGZKXIDRUUEP-SNVBAGLBSA-N -1 0 319.748 2.277 50 0 DEAARM CC[C@@H](C)CC(=O)[N-]S(=O)(=O)c1sc(SC)nc1C ZINC000585136231 357336981 /nfs/dbraw/zinc/33/69/81/357336981.db2.gz XIPNHKBONVCMTL-SSDOTTSWSA-N -1 0 322.477 2.415 50 0 DEAARM Cc1ccccc1OCCCC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000237548460 202280190 /nfs/dbraw/zinc/28/01/90/202280190.db2.gz KXGPTAMPWSOROX-AWEZNQCLSA-N -1 0 305.374 2.477 50 0 DEAARM C[C@H](CN(C)C(=O)[C@H]1COc2ccc(Cl)cc2C1)C(=O)[O-] ZINC000237566657 202286208 /nfs/dbraw/zinc/28/62/08/202286208.db2.gz DTRQOQUQKLLETM-MWLCHTKSSA-N -1 0 311.765 2.070 50 0 DEAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)[C@H]1COc2ccccc21 ZINC000237599974 202298268 /nfs/dbraw/zinc/29/82/68/202298268.db2.gz GMZMUZXZKKAJHL-GXSJLCMTSA-N -1 0 301.298 2.272 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H]2OCCc3ccccc32)C1 ZINC000237645661 202316612 /nfs/dbraw/zinc/31/66/12/202316612.db2.gz YWLUSKLBNLZNEQ-RHSMWYFYSA-N -1 0 303.358 2.014 50 0 DEAARM Cc1ccc([C@H]2C[C@H]2C(=O)N(CC(=O)[O-])C2CCOCC2)s1 ZINC000237664291 202321975 /nfs/dbraw/zinc/32/19/75/202321975.db2.gz AUVFMVQBJUSUEB-QWHCGFSZSA-N -1 0 323.414 2.252 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N(C[C@H]2CCOC2)C2CC2)cc1 ZINC000238057130 202430298 /nfs/dbraw/zinc/43/02/98/202430298.db2.gz IEXHXHFPRUWFEO-CQSZACIVSA-N -1 0 317.385 2.345 50 0 DEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)CCc1ccccc1F ZINC000238085186 202438573 /nfs/dbraw/zinc/43/85/73/202438573.db2.gz HOVQAFMMXXXLJJ-AWEZNQCLSA-N -1 0 323.364 2.241 50 0 DEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1cccc2[nH]ccc21 ZINC000238107915 202442293 /nfs/dbraw/zinc/44/22/93/202442293.db2.gz FISRTXJJXVRUDP-GFCCVEGCSA-N -1 0 316.357 2.264 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)Nc2ccc(C3CC3)nn2)c1 ZINC000669501345 540845910 /nfs/dbraw/zinc/84/59/10/540845910.db2.gz QCXRZBWLCXWVEB-UHFFFAOYSA-N -1 0 312.329 2.374 50 0 DEAARM CC(C)(C)n1nnc(/C=C\c2nc3ccc(C(=O)[O-])cc3o2)n1 ZINC000606445369 361010082 /nfs/dbraw/zinc/01/00/82/361010082.db2.gz NLLHHBAAVIRDLN-SREVYHEPSA-N -1 0 313.317 2.438 50 0 DEAARM CO[C@@H](C)CS(=O)(=O)[N-]c1cccc(C(C)(C)C)c1O ZINC000193343778 201036045 /nfs/dbraw/zinc/03/60/45/201036045.db2.gz FCJRGYRZOOWQSG-JTQLQIEISA-N -1 0 301.408 2.466 50 0 DEAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000006364577 181334496 /nfs/dbraw/zinc/33/44/96/181334496.db2.gz UICILYMJVHXSFN-LLVKDONJSA-N -1 0 323.773 2.257 50 0 DEAARM CC[C@@H](C)[C@@H](NC(=O)NCc1ccc(OC)cc1OC)C(=O)[O-] ZINC000006440131 181341443 /nfs/dbraw/zinc/34/14/43/181341443.db2.gz LUFXZELGPZHWKQ-QMTHXVAHSA-N -1 0 324.377 2.002 50 0 DEAARM CCc1cccc(C)c1[N-]S(=O)(=O)c1c[nH]c(C(=O)OC)c1 ZINC000006779754 181386681 /nfs/dbraw/zinc/38/66/81/181386681.db2.gz PQUABAOPRKDEJP-UHFFFAOYSA-N -1 0 322.386 2.473 50 0 DEAARM CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000006820856 181394898 /nfs/dbraw/zinc/39/48/98/181394898.db2.gz BWQLJWWQIZIBSQ-CABCVRRESA-N -1 0 316.357 2.275 50 0 DEAARM CC(=O)N(C)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000006820858 181394927 /nfs/dbraw/zinc/39/49/27/181394927.db2.gz BWQLJWWQIZIBSQ-HUUCEWRRSA-N -1 0 316.357 2.275 50 0 DEAARM Cc1noc(C)c1CC(=O)N1CCC[C@@](CC2CC2)(C(=O)[O-])C1 ZINC000092038512 193145062 /nfs/dbraw/zinc/14/50/62/193145062.db2.gz BTSSKLYAUSYXGN-KRWDZBQOSA-N -1 0 320.389 2.327 50 0 DEAARM O=C([O-])c1csc(CCNC(=O)CCc2ccccc2F)n1 ZINC000219222897 201551493 /nfs/dbraw/zinc/55/14/93/201551493.db2.gz ILMRMQUSAJLYJR-UHFFFAOYSA-N -1 0 322.361 2.272 50 0 DEAARM Cc1nc(C)c(C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)o1 ZINC000262391557 203281656 /nfs/dbraw/zinc/28/16/56/203281656.db2.gz MGACUVVTXZNZNN-UHFFFAOYSA-N -1 0 306.293 2.158 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1cccc(-c2n[nH]c(C3CC3)n2)c1 ZINC000262584108 203338895 /nfs/dbraw/zinc/33/88/95/203338895.db2.gz GGYCACLWAOXURS-VXGBXAGGSA-N -1 0 312.329 2.008 50 0 DEAARM COc1ccc(C(=O)Nc2ccc(C[C@@H](C)C(=O)[O-])cc2)nn1 ZINC000262726221 203394026 /nfs/dbraw/zinc/39/40/26/203394026.db2.gz GNMIZVGEOCYETO-SNVBAGLBSA-N -1 0 315.329 2.001 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1n[nH]c2ccccc21 ZINC000299745228 304153101 /nfs/dbraw/zinc/15/31/01/304153101.db2.gz WWDTYORXZJOTRW-HNNXBMFYSA-N -1 0 321.336 2.215 50 0 DEAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2cccc3ccccc32)C1 ZINC000096517703 193675365 /nfs/dbraw/zinc/67/53/65/193675365.db2.gz QIZMARBFSIRVIM-CYBMUJFWSA-N -1 0 319.382 2.325 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccccc2Br)C1 ZINC000013170215 181836288 /nfs/dbraw/zinc/83/62/88/181836288.db2.gz UGOPLYGVOPMCFS-SECBINFHSA-N -1 0 312.163 2.386 50 0 DEAARM CC[C@@H](Oc1cccc(C(=O)[O-])c1)C(=O)Nc1cc(C)on1 ZINC000013248253 181839139 /nfs/dbraw/zinc/83/91/39/181839139.db2.gz 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182786768 /nfs/dbraw/zinc/78/67/68/182786768.db2.gz JCBOAIIOZIKMLM-CQSZACIVSA-N -1 0 307.371 2.227 50 0 DEAARM Cn1c(Cl)c(Cl)cc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037433214 182892568 /nfs/dbraw/zinc/89/25/68/182892568.db2.gz QCOZIYYCLSNWOS-UHFFFAOYSA-N -1 0 305.161 2.269 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)C1 ZINC000492332948 249042184 /nfs/dbraw/zinc/04/21/84/249042184.db2.gz VEIPZIFJLOLTHB-SYBPUXJVSA-N -1 0 323.732 2.015 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)C1 ZINC000492332947 249042458 /nfs/dbraw/zinc/04/24/58/249042458.db2.gz VEIPZIFJLOLTHB-JWXWKVPASA-N -1 0 323.732 2.015 50 0 DEAARM COc1cccc(-c2nc(C)c(C(=O)NCCC(=O)[O-])s2)c1 ZINC000040267467 183050067 /nfs/dbraw/zinc/05/00/67/183050067.db2.gz LNZIEMSWDIDZRP-UHFFFAOYSA-N -1 0 320.370 2.332 50 0 DEAARM O=C(NCc1nccc(C(F)F)n1)c1s[n-]c(=O)c1Cl ZINC000492512760 249078919 /nfs/dbraw/zinc/07/89/19/249078919.db2.gz KTJCNVQXIJUFFR-UHFFFAOYSA-N -1 0 320.708 2.160 50 0 DEAARM Cc1ccc(-c2nc(CCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])co2)cc1 ZINC000268920511 207086356 /nfs/dbraw/zinc/08/63/56/207086356.db2.gz SJRMOXNPOOZEJK-KBPBESRZSA-N -1 0 314.341 2.029 50 0 DEAARM O=C([O-])c1cc2c(n(-c3ccc(F)cc3)c1=O)CCCC2=O ZINC000049452921 304229022 /nfs/dbraw/zinc/22/90/22/304229022.db2.gz YHVILACXPAMVGO-UHFFFAOYSA-N -1 0 301.273 2.194 50 0 DEAARM COc1ccc(F)cc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000268951985 207115606 /nfs/dbraw/zinc/11/56/06/207115606.db2.gz UBCLRFPLJXVVDI-GFCCVEGCSA-N -1 0 307.321 2.161 50 0 DEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(-c2ccccc2F)o1 ZINC000268992458 207150156 /nfs/dbraw/zinc/15/01/56/207150156.db2.gz TVLDBIHMZKCFAU-LBPRGKRZSA-N -1 0 319.288 2.011 50 0 DEAARM CCc1nc2ccccc2n1CC(=O)[N-]O[C@H]1CCCCO1 ZINC000058418869 184115492 /nfs/dbraw/zinc/11/54/92/184115492.db2.gz ICCJCUNLMDHBRR-INIZCTEOSA-N -1 0 303.362 2.173 50 0 DEAARM CN(c1ccsc1C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000062591971 184244374 /nfs/dbraw/zinc/24/43/74/184244374.db2.gz WHFWYLAAFKHQSQ-UHFFFAOYSA-N -1 0 315.347 2.411 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)c(C)n1C ZINC000064923144 184306371 /nfs/dbraw/zinc/30/63/71/184306371.db2.gz UYRPKLAJJQRAOO-UHFFFAOYSA-N -1 0 322.386 2.229 50 0 DEAARM O=C([O-])COc1ccc(Cl)cc1[C@@H]1CC(=O)Nc2n[nH]cc21 ZINC000065387401 184333888 /nfs/dbraw/zinc/33/38/88/184333888.db2.gz FJDBUQLMHCRRRC-QMMMGPOBSA-N -1 0 321.720 2.001 50 0 DEAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCCOc3ccccc32)cn1 ZINC000238037142 304238574 /nfs/dbraw/zinc/23/85/74/304238574.db2.gz YEJFIAZJEZTXDR-ZDUSSCGKSA-N -1 0 312.325 2.424 50 0 DEAARM O=C([O-])c1nsc2c1NC(=O)C[C@H]2c1ccc2c(c1)OCO2 ZINC000066091367 304285611 /nfs/dbraw/zinc/28/56/11/304285611.db2.gz GOWOZXIFYFLBLB-ZETCQYMHSA-N -1 0 318.310 2.044 50 0 DEAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000263462566 132587581 /nfs/dbraw/zinc/58/75/81/132587581.db2.gz CAWUYRIQPBPWDG-MLGOLLRUSA-N -1 0 301.386 2.430 50 0 DEAARM O=C([O-])c1cccc(C(=O)NCCc2cnc(C3CC3)nc2)c1 ZINC000262811085 145306146 /nfs/dbraw/zinc/30/61/46/145306146.db2.gz PESKFAAJFFOBHC-UHFFFAOYSA-N -1 0 311.341 2.025 50 0 DEAARM O=C([O-])CNC(=O)c1cnn(C2CCCC2)c1-c1ccccc1 ZINC000263099476 145325524 /nfs/dbraw/zinc/32/55/24/145325524.db2.gz CRDXRCMMBPUZCY-UHFFFAOYSA-N -1 0 313.357 2.480 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000142792 401688485 /nfs/dbraw/zinc/68/84/85/401688485.db2.gz HICVGWDOEAENSY-KBPBESRZSA-N -1 0 304.346 2.475 50 0 DEAARM COc1ccc(CCNC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000282748 401693198 /nfs/dbraw/zinc/69/31/98/401693198.db2.gz SBACHGGZEYMQAB-LSDHHAIUSA-N -1 0 305.374 2.245 50 0 DEAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccc(F)cc2)cc1 ZINC000000277536 401693470 /nfs/dbraw/zinc/69/34/70/401693470.db2.gz WEICORXIQAHXPF-UHFFFAOYSA-N -1 0 323.345 2.414 50 0 DEAARM COc1cccc(C[C@H](C(=O)Nc2ccccc2)c2nnn[n-]2)c1 ZINC000000418758 401697160 /nfs/dbraw/zinc/69/71/60/401697160.db2.gz QDBXOCRBJGZNBW-HNNXBMFYSA-N -1 0 323.356 2.173 50 0 DEAARM CCC(=O)Nc1ccc(-c2nnc(SCC(=O)[O-])n2C)cc1 ZINC000000553185 401700963 /nfs/dbraw/zinc/70/09/63/401700963.db2.gz BEDOISAVOUOCPP-UHFFFAOYSA-N -1 0 320.374 2.007 50 0 DEAARM Cc1cc(C(=O)[O-])ccc1NC(=O)CNC(=O)C1CCCCC1 ZINC000000614285 401702098 /nfs/dbraw/zinc/70/20/98/401702098.db2.gz KZISJVAVXDSDPY-UHFFFAOYSA-N -1 0 318.373 2.328 50 0 DEAARM COc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1OC ZINC000000615898 401702406 /nfs/dbraw/zinc/70/24/06/401702406.db2.gz GVOQVIUIGUCBME-STQMWFEESA-N -1 0 321.373 2.211 50 0 DEAARM CC1=C(C)C[C@H](C(=O)NCC(=O)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000000858619 401703453 /nfs/dbraw/zinc/70/34/53/401703453.db2.gz PGUVEKVRFRKTGZ-LSDHHAIUSA-N -1 0 315.369 2.433 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(CCc2ccccn2)[C@H]1c1ccsc1 ZINC000072275698 401705704 /nfs/dbraw/zinc/70/57/04/401705704.db2.gz BXTNSAYFBJLBHM-HIFRSBDPSA-N -1 0 316.382 2.360 50 0 DEAARM COc1ccc2c(CC(=O)N3CCC(C(=O)[O-])CC3)coc2c1 ZINC000013167266 401797605 /nfs/dbraw/zinc/79/76/05/401797605.db2.gz BPZHCJCKJUDVRB-UHFFFAOYSA-N -1 0 317.341 2.307 50 0 DEAARM CN(Cc1ccccc1)C(=O)COc1ccc(CC(=O)[O-])cc1 ZINC000013420654 401799954 /nfs/dbraw/zinc/79/99/54/401799954.db2.gz JFFVUPSISKWNGS-UHFFFAOYSA-N -1 0 313.353 2.351 50 0 DEAARM CSCC[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)C(=O)[O-] ZINC000009550317 401763480 /nfs/dbraw/zinc/76/34/80/401763480.db2.gz IDKSAWYRKQEVOD-CQSZACIVSA-N -1 0 307.415 2.040 50 0 DEAARM CN(C(=O)c1ccccc1[N-]S(C)(=O)=O)c1ccccc1 ZINC000010112093 401767909 /nfs/dbraw/zinc/76/79/09/401767909.db2.gz OTSZCGBUCTVFDE-UHFFFAOYSA-N -1 0 304.371 2.335 50 0 DEAARM CCCCNC(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000012403800 401785203 /nfs/dbraw/zinc/78/52/03/401785203.db2.gz LLCXKALPKQDOFF-UHFFFAOYSA-N -1 0 306.362 2.410 50 0 DEAARM O=C([O-])c1ccccc1NCc1ccc(N2CCOCC2)nc1 ZINC000015525287 401818209 /nfs/dbraw/zinc/81/82/09/401818209.db2.gz UGMDOOLGONGIPH-UHFFFAOYSA-N -1 0 313.357 2.229 50 0 DEAARM CCc1cc2c(ncn([N-]C(=O)c3cccc(C)n3)c2=O)s1 ZINC000025076385 401831181 /nfs/dbraw/zinc/83/11/81/401831181.db2.gz WKNIRJSZHCCELO-UHFFFAOYSA-N -1 0 314.370 2.108 50 0 DEAARM CNC(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1C ZINC000030522252 401864191 /nfs/dbraw/zinc/86/41/91/401864191.db2.gz XKYXQEGFIAWMIP-UHFFFAOYSA-N -1 0 318.373 2.328 50 0 DEAARM CC(C)CCN1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)[O-] ZINC000041127918 401928011 /nfs/dbraw/zinc/92/80/11/401928011.db2.gz WQKHDOJQZDOQQC-KRWDZBQOSA-N -1 0 316.357 2.096 50 0 DEAARM COc1ccc2c(ccn2CC(=O)NCCCCCC(=O)[O-])c1 ZINC000031820848 401874570 /nfs/dbraw/zinc/87/45/70/401874570.db2.gz LKHSIFMNPNCDOU-UHFFFAOYSA-N -1 0 318.373 2.411 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(F)cc2Br)C1 ZINC000034940567 401894546 /nfs/dbraw/zinc/89/45/46/401894546.db2.gz RQOLVSJIXNFVTE-ZCFIWIBFSA-N -1 0 302.099 2.026 50 0 DEAARM Cc1ccc(CN(C)S(=O)(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000035122354 401895386 /nfs/dbraw/zinc/89/53/86/401895386.db2.gz BMXSTSHMFPBHJC-UHFFFAOYSA-N -1 0 309.343 2.107 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1F ZINC000036398780 401905269 /nfs/dbraw/zinc/90/52/69/401905269.db2.gz YTEAVWREHIDQRX-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3nnn[n-]3)C2)C1(C)C ZINC000089914092 401973083 /nfs/dbraw/zinc/97/30/83/401973083.db2.gz OMTYEWHOQIZKRS-XQQFMLRXSA-N -1 0 303.410 2.144 50 0 DEAARM Cc1ccc(CNC(=O)c2c(=O)[nH]c3ccsc3c2[O-])o1 ZINC000049409564 402016906 /nfs/dbraw/zinc/01/69/06/402016906.db2.gz OWFLKZKQRCKSCF-UHFFFAOYSA-N -1 0 304.327 2.127 50 0 DEAARM Cc1ccc(S(=O)(=O)N2CCC(CCC(=O)[O-])CC2)cc1 ZINC000049923613 402022284 /nfs/dbraw/zinc/02/22/84/402022284.db2.gz MMEWKEZKCHUJPH-UHFFFAOYSA-N -1 0 311.403 2.261 50 0 DEAARM COCc1cc(CN(C)[C@@H](/C=C/c2ccccc2)C(=O)[O-])[nH]n1 ZINC000095367221 402028575 /nfs/dbraw/zinc/02/85/75/402028575.db2.gz ULKMASXQUXZHHF-FDMDGMSGSA-N -1 0 315.373 2.155 50 0 DEAARM CC(=O)c1cccc([C@H](C(=O)[O-])N(C)Cc2nccn2C)c1F ZINC000095379413 402030452 /nfs/dbraw/zinc/03/04/52/402030452.db2.gz NMAJJVHQUFFAGK-OAHLLOKOSA-N -1 0 319.336 2.020 50 0 DEAARM CCOc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1CO ZINC000051149498 402032028 /nfs/dbraw/zinc/03/20/28/402032028.db2.gz REPWEZZPCCYPNT-UONOGXRCSA-N -1 0 319.357 2.183 50 0 DEAARM Cc1c(C(=O)N[C@H](C(=O)[O-])C(C)(C)C)cnn1-c1ccccc1 ZINC000095970102 402038246 /nfs/dbraw/zinc/03/82/46/402038246.db2.gz WNKTXUUIGKWZMY-CQSZACIVSA-N -1 0 315.373 2.410 50 0 DEAARM CCc1ncc(CN(CC(=O)[O-])C(=O)c2ccoc2C)s1 ZINC000095997231 402045310 /nfs/dbraw/zinc/04/53/10/402045310.db2.gz DGZWCLZPMRCCSL-UHFFFAOYSA-N -1 0 308.359 2.334 50 0 DEAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)Nc1cc(F)ccc1F ZINC000055311225 402079460 /nfs/dbraw/zinc/07/94/60/402079460.db2.gz PBFRNWDPWGTLGC-UHFFFAOYSA-N -1 0 317.269 2.365 50 0 DEAARM CC(C)c1cc(C(=O)NCCc2cccc(C(=O)[O-])c2)nn1C ZINC000097039251 402101455 /nfs/dbraw/zinc/10/14/55/402101455.db2.gz UJVMQDSXSKKXSE-UHFFFAOYSA-N -1 0 315.373 2.214 50 0 DEAARM Cc1csc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)n1 ZINC000100472421 402141221 /nfs/dbraw/zinc/14/12/21/402141221.db2.gz WGGKZJZUOBWXDV-UHFFFAOYSA-N -1 0 315.354 2.261 50 0 DEAARM CC[C@@H](C)Oc1ccccc1[C@@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347916 402144722 /nfs/dbraw/zinc/14/47/22/402144722.db2.gz WEVYQNOECMTEGQ-MFKMUULPSA-N -1 0 314.345 2.439 50 0 DEAARM O=C([O-])c1ccc(-c2ccc3ncnc(NCCO)c3c2)s1 ZINC000067885727 402177252 /nfs/dbraw/zinc/17/72/52/402177252.db2.gz DMVZTOQBHMMPNV-UHFFFAOYSA-N -1 0 315.354 2.461 50 0 DEAARM COCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(C)c1C ZINC000069492102 402226947 /nfs/dbraw/zinc/22/69/47/402226947.db2.gz GJYHRETVQHQGPC-HOCLYGCPSA-N -1 0 305.374 2.314 50 0 DEAARM COCCCN1C(=O)CC[C@H](C(=O)[O-])[C@@H]1c1cccc(F)c1 ZINC000069492067 402227064 /nfs/dbraw/zinc/22/70/64/402227064.db2.gz QOXBCINYYCMQBC-ZFWWWQNUSA-N -1 0 309.337 2.227 50 0 DEAARM C[C@@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccccc1Oc1ccccc1 ZINC000069631692 402235866 /nfs/dbraw/zinc/23/58/66/402235866.db2.gz KOMATNXTLBPKIS-LLVKDONJSA-N -1 0 324.340 2.381 50 0 DEAARM CC(C)c1cc(C(=O)Nc2ccc(-c3nc(=O)o[n-]3)cc2)n[nH]1 ZINC000069737590 402240998 /nfs/dbraw/zinc/24/09/98/402240998.db2.gz CTPLNDSIZDSRCH-UHFFFAOYSA-N -1 0 313.317 2.129 50 0 DEAARM Cc1nn(-c2ccccc2)c(C)c1/C=C\C(=O)N[C@@H](C)C(=O)[O-] ZINC000221917757 402305145 /nfs/dbraw/zinc/30/51/45/402305145.db2.gz YMIHHCUXNLNEJA-PRDAAYKISA-N -1 0 313.357 2.092 50 0 DEAARM CCCn1nc(C)c(C(=O)NCc2cc(C(=O)[O-])c(C)o2)c1C ZINC000225550843 402320905 /nfs/dbraw/zinc/32/09/05/402320905.db2.gz ZKLUJHUPVPCSPN-UHFFFAOYSA-N -1 0 319.361 2.440 50 0 DEAARM Cc1c([N-]S(=O)(=O)c2ccc3c(c2)CCCC3)cnn1C ZINC000176975064 402355885 /nfs/dbraw/zinc/35/58/85/402355885.db2.gz WRPQUMRJQBDHIW-UHFFFAOYSA-N -1 0 305.403 2.408 50 0 DEAARM CC(C)(C)n1cc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cn1 ZINC000236762060 402381113 /nfs/dbraw/zinc/38/11/13/402381113.db2.gz HLKPILARRKIHFV-ZDUSSCGKSA-N -1 0 307.394 2.498 50 0 DEAARM COCc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000237173045 402398255 /nfs/dbraw/zinc/39/82/55/402398255.db2.gz NDRFLEHXWZCYTE-GJZGRUSLSA-N -1 0 305.374 2.340 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2SCCc3sccc32)C1 ZINC000237650699 402417087 /nfs/dbraw/zinc/41/70/87/402417087.db2.gz DZOZZZKQWPSFSM-FZMZJTMJSA-N -1 0 311.428 2.402 50 0 DEAARM O=C([O-])CN(C(=O)C/C=C/c1ccc(F)cc1)C1CCOCC1 ZINC000238095017 402437262 /nfs/dbraw/zinc/43/72/62/402437262.db2.gz HEGCNKUJQADWMI-OWOJBTEDSA-N -1 0 321.348 2.321 50 0 DEAARM O=C([O-])CN(C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000238104886 402437853 /nfs/dbraw/zinc/43/78/53/402437853.db2.gz DXAGSTRYFLATNH-CABCVRRESA-N -1 0 321.348 2.021 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cnc(-c3ccccc3F)s2)C1 ZINC000238103021 402437876 /nfs/dbraw/zinc/43/78/76/402437876.db2.gz XFRPKQZPTXYZON-VIFPVBQESA-N -1 0 320.345 2.496 50 0 DEAARM CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000177808376 402438288 /nfs/dbraw/zinc/43/82/88/402438288.db2.gz FCQLWQLCECDKBI-ZIAGYGMSSA-N -1 0 318.373 2.200 50 0 DEAARM COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000252515783 402657887 /nfs/dbraw/zinc/65/78/87/402657887.db2.gz NKFBHZIZMGFKHD-KWCYVHTRSA-N -1 0 303.358 2.122 50 0 DEAARM CCCn1nccc1[N-]S(=O)(=O)c1ccc(F)c(OC)c1 ZINC000252548539 402658423 /nfs/dbraw/zinc/65/84/23/402658423.db2.gz QAZVDOMLKUKKFX-UHFFFAOYSA-N -1 0 313.354 2.242 50 0 DEAARM CC[C@H]1CC[C@H](C(=O)[N-]S(=O)(=O)CC(F)(F)F)CC1 ZINC000252587035 402659200 /nfs/dbraw/zinc/65/92/00/402659200.db2.gz VGTNJWZUGNNIAQ-KYZUINATSA-N -1 0 301.330 2.211 50 0 DEAARM Cc1nc2ccccc2c(=O)n1N=Cc1ccccc1C(=O)[O-] ZINC000252452485 402653520 /nfs/dbraw/zinc/65/35/20/402653520.db2.gz LIHVCFQPMOPQQD-UHFFFAOYSA-N -1 0 307.309 2.285 50 0 DEAARM Cn1nccc1C1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000191583833 402679866 /nfs/dbraw/zinc/67/98/66/402679866.db2.gz ZNRFJRDBXAKYHV-UHFFFAOYSA-N -1 0 313.357 2.138 50 0 DEAARM COc1cc(C(=O)[O-])ccc1NC(=O)Cc1c(C)noc1C ZINC000262821021 402734027 /nfs/dbraw/zinc/73/40/27/402734027.db2.gz AMLMRJRKRMTERF-UHFFFAOYSA-N -1 0 304.302 2.179 50 0 DEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)c1ccn(C(C)C)n1 ZINC000262977338 402739312 /nfs/dbraw/zinc/73/93/12/402739312.db2.gz MMPVVXWXBJSESV-UHFFFAOYSA-N -1 0 317.345 2.488 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCCc2cc3ccccc3[nH]2)C1 ZINC000263347811 402761025 /nfs/dbraw/zinc/76/10/25/402761025.db2.gz UPMLMSFCBBSLMC-QWHCGFSZSA-N -1 0 300.358 2.328 50 0 DEAARM Cc1noc(C)c1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263422017 402767834 /nfs/dbraw/zinc/76/78/34/402767834.db2.gz JBDNWVNGIFLCBB-ZDUSSCGKSA-N -1 0 302.330 2.059 50 0 DEAARM COC[C@@H](C)n1ccc(NC(=O)c2ccc(C(=O)[O-])cc2)n1 ZINC000263457386 402771182 /nfs/dbraw/zinc/77/11/82/402771182.db2.gz UWMDHSGKSLLCNQ-SNVBAGLBSA-N -1 0 303.318 2.041 50 0 DEAARM Cc1ccc(CS(=O)(=O)N2CCCC[C@H]2C(=O)[O-])cc1C ZINC000263476461 402772661 /nfs/dbraw/zinc/77/26/61/402772661.db2.gz JJMQTGALLOPUNO-AWEZNQCLSA-N -1 0 311.403 2.072 50 0 DEAARM Cc1nscc1C(=O)N(C)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263494162 402774623 /nfs/dbraw/zinc/77/46/23/402774623.db2.gz XLRCLBJPVUFNIK-ZDUSSCGKSA-N -1 0 304.371 2.219 50 0 DEAARM CCOC[C@@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC000263514170 402776611 /nfs/dbraw/zinc/77/66/11/402776611.db2.gz ZSQHJMCTNXQMFR-CQSZACIVSA-N -1 0 320.389 2.343 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)C(=O)[O-] ZINC000195541699 402850813 /nfs/dbraw/zinc/85/08/13/402850813.db2.gz DBLNVBBCAMOLDB-WFASDCNBSA-N -1 0 315.373 2.161 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000268938653 403121097 /nfs/dbraw/zinc/12/10/97/403121097.db2.gz JPGXUKACHQUHRI-PMPSAXMXSA-N -1 0 317.385 2.478 50 0 DEAARM CC(C)(C)n1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000299383990 403558226 /nfs/dbraw/zinc/55/82/26/403558226.db2.gz XTDQPSPCCSOWBJ-BNOWGMLFSA-N -1 0 319.405 2.496 50 0 DEAARM CCCC1(C(=O)[O-])CCN(c2cc([C@H]3CCOC3)ncn2)CC1 ZINC000299803107 403579496 /nfs/dbraw/zinc/57/94/96/403579496.db2.gz WXIXWPISRIAOAS-ZDUSSCGKSA-N -1 0 319.405 2.452 50 0 DEAARM C[C@H]1Cc2ccccc2N(S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)C1 ZINC000315184794 404006779 /nfs/dbraw/zinc/00/67/79/404006779.db2.gz BPUVPHLVKKOIEA-JTQLQIEISA-N -1 0 320.370 2.100 50 0 DEAARM CC[C@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1nc(C)c[nH]1 ZINC000426537443 405367772 /nfs/dbraw/zinc/36/77/72/405367772.db2.gz HJKBUWIELRUAEQ-JTQLQIEISA-N -1 0 304.350 2.242 50 0 DEAARM Cc1ncc(C(=O)N2CCC[C@H]2C(=O)[O-])c(-c2ccccc2)n1 ZINC000426698149 405375142 /nfs/dbraw/zinc/37/51/42/405375142.db2.gz BXUBMGBSSWHWKO-AWEZNQCLSA-N -1 0 311.341 2.141 50 0 DEAARM COc1ccc(CC(=O)N2CCCC[C@H]2C(=O)[O-])c(Cl)c1 ZINC000128608940 195977452 /nfs/dbraw/zinc/97/74/52/195977452.db2.gz QFJFRWYRAWERLQ-ZDUSSCGKSA-N -1 0 311.765 2.357 50 0 DEAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1cccc(Cl)c1Cl ZINC000129373269 196043330 /nfs/dbraw/zinc/04/33/30/196043330.db2.gz NHOLKZBJHCVNPG-MRVPVSSYSA-N -1 0 318.156 2.309 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cnc(-c3ccccc3)nc2)C1 ZINC000136125016 196521007 /nfs/dbraw/zinc/52/10/07/196521007.db2.gz JZIDCOPOHVCTFV-ZDUSSCGKSA-N -1 0 311.341 2.080 50 0 DEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1 ZINC000065568327 418486863 /nfs/dbraw/zinc/48/68/63/418486863.db2.gz RQIOXXXBGIWAMV-UHFFFAOYSA-N -1 0 312.372 2.039 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000299744393 229384677 /nfs/dbraw/zinc/38/46/77/229384677.db2.gz SFGXOBCDWAFSGD-PMPSAXMXSA-N -1 0 317.385 2.396 50 0 DEAARM COc1cc(/C=C/C(=O)[O-])ccc1OCc1ccn(C)c(=O)c1 ZINC000048333906 424832855 /nfs/dbraw/zinc/83/28/55/424832855.db2.gz QBGCTGKXIONPRD-GQCTYLIASA-N -1 0 315.325 2.071 50 0 DEAARM O=C([O-])c1nccnc1NCC1(c2ccc(Cl)cc2)CC1 ZINC000584897956 424992956 /nfs/dbraw/zinc/99/29/56/424992956.db2.gz BSHYKERKYLKPEC-UHFFFAOYSA-N -1 0 303.749 2.972 50 0 DEAARM COc1cc(NC(=O)c2n[nH]c3c2CCCC3)ccc1C(=O)[O-] ZINC000653645137 425200316 /nfs/dbraw/zinc/20/03/16/425200316.db2.gz XWMOBNYRTODSSP-UHFFFAOYSA-N -1 0 315.329 2.248 50 0 DEAARM CC(C)(C)n1cc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cn1 ZINC000236762006 278579499 /nfs/dbraw/zinc/57/94/99/278579499.db2.gz HLKPILARRKIHFV-CYBMUJFWSA-N -1 0 307.394 2.498 50 0 DEAARM CN1CCN(C(=O)c2ccccc2-c2ccccc2C(=O)[O-])CC1 ZINC000004400759 290032047 /nfs/dbraw/zinc/03/20/47/290032047.db2.gz BWDZIHJWKQVMSC-UHFFFAOYSA-N -1 0 324.380 2.439 50 0 DEAARM C[C@@H]1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CCO1 ZINC000262604269 297206488 /nfs/dbraw/zinc/20/64/88/297206488.db2.gz AEDRZNHNKAHUIC-OSAQELSMSA-N -1 0 303.358 2.012 50 0 DEAARM Cc1cc(=O)oc2c(I)c([O-])ccc12 ZINC000000449246 301068056 /nfs/dbraw/zinc/06/80/56/301068056.db2.gz QVRPVXDKAYTMOT-UHFFFAOYSA-N -1 0 302.067 2.412 50 0 biogenic DEAARM Cc1cc(Br)ccc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000036829328 301070911 /nfs/dbraw/zinc/07/09/11/301070911.db2.gz NGLSCJVKBNNDBG-LLVKDONJSA-N -1 0 312.163 2.447 50 0 DEAARM Cc1cc(F)ccc1S(=O)(=O)N1C[C@@H](C(=O)[O-])CC[C@@H]1C ZINC000263466662 301316431 /nfs/dbraw/zinc/31/64/31/301316431.db2.gz CTUSTAONRIKVFY-QWRGUYRKSA-N -1 0 315.366 2.008 50 0 DEAARM Cc1ccc([C@H](C(=O)NC2(C(=O)[O-])CCCC2)N(C)C)cc1 ZINC000095512521 301778143 /nfs/dbraw/zinc/77/81/43/301778143.db2.gz INLGLSOPUNMGPW-CQSZACIVSA-N -1 0 304.390 2.111 50 0 DEAARM Cc1cccc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)n1 ZINC000100513819 302004392 /nfs/dbraw/zinc/00/43/92/302004392.db2.gz VMVRZAGHVHDDSF-UHFFFAOYSA-N -1 0 309.325 2.200 50 0 DEAARM Cc1nnc(-c2ccc(NC(=O)[C@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)o1 ZINC000071287352 302808617 /nfs/dbraw/zinc/80/86/17/302808617.db2.gz IVUBPMLADDIWHH-NEPJUHHUSA-N -1 0 315.329 2.340 50 0 DEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1 ZINC000006858684 303348994 /nfs/dbraw/zinc/34/89/94/303348994.db2.gz WDTQSNXGMIIUAG-UHFFFAOYSA-N -1 0 310.762 2.240 50 0 DEAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)N[C@H](C)CC(=O)[O-] ZINC000097228865 337382331 /nfs/dbraw/zinc/38/23/31/337382331.db2.gz GAIXRNZMNUNJEK-SECBINFHSA-N -1 0 321.764 2.427 50 0 DEAARM O=C([O-])CN(C(=O)/C=C/c1ccccc1Cl)C1CCOCC1 ZINC000328595213 534499122 /nfs/dbraw/zinc/49/91/22/534499122.db2.gz OFUDDZVKLJBQLP-AATRIKPKSA-N -1 0 323.776 2.445 50 0 DEAARM CC(C)Cc1nc(=NCc2nc3ccccc3c(=O)[nH]2)s[n-]1 ZINC000328593753 528664502 /nfs/dbraw/zinc/66/45/02/528664502.db2.gz DZXOEIWVHARLKT-UHFFFAOYSA-N -1 0 315.402 2.419 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(OC)c1 ZINC000492142517 536600622 /nfs/dbraw/zinc/60/06/22/536600622.db2.gz VLUCUEDNRPFQIY-XTKXOIQPSA-N -1 0 319.357 2.040 50 0 DEAARM CC(C)(CC(=O)Nc1ccc(F)c(N2CCCC2=O)c1)C(=O)[O-] ZINC000169987551 563902324 /nfs/dbraw/zinc/90/23/24/563902324.db2.gz WVXMDLKFFNGMLL-UHFFFAOYSA-N -1 0 322.336 2.392 50 0 DEAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000072142005 683927571 /nfs/dbraw/zinc/92/75/71/683927571.db2.gz RZWLJJYRRAPKBH-NSHDSACASA-N -1 0 312.325 2.115 50 0 DEAARM O=C([O-])COc1ccccc1C=NNC(=O)c1ccc(F)cc1 ZINC000254878063 685198530 /nfs/dbraw/zinc/19/85/30/685198530.db2.gz VEHJAWWDCMVFFW-UHFFFAOYSA-N -1 0 316.288 2.053 50 0 DEAARM C[C@@]1(C(=O)[N-]Oc2ccc(Cl)c(Cl)c2)CCC(=O)NC1 ZINC000585125688 790318215 /nfs/dbraw/zinc/31/82/15/790318215.db2.gz BKPRSXXFEIAIHP-CYBMUJFWSA-N -1 0 317.172 2.320 50 0 DEAARM CCc1ccc(S(=O)(=O)[N-]c2c(C)nc(OC)nc2C)cc1 ZINC000585436207 778600742 /nfs/dbraw/zinc/60/07/42/778600742.db2.gz YILHHMZBJOAUDW-UHFFFAOYSA-N -1 0 321.402 2.465 50 0 DEAARM CC(=O)N(C[P@](=O)([O-])c1ccccc1)c1ccccc1O ZINC000828931726 783886647 /nfs/dbraw/zinc/88/66/47/783886647.db2.gz WENGZUAJZHMWNA-UHFFFAOYSA-N -1 0 305.270 2.299 50 0 DEAARM C[C@H]1CCC(=O)N1c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000952978175 792841837 /nfs/dbraw/zinc/84/18/37/792841837.db2.gz XPGKDQCDRHYTMX-NSHDSACASA-N -1 0 304.346 2.395 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)C=Cc1ccco1 ZINC000103373658 799470413 /nfs/dbraw/zinc/47/04/13/799470413.db2.gz VFSYSHPKKLBMPQ-PLNGDYQASA-N -1 0 315.354 2.249 50 0 DEAARM CC(C)c1noc(C2CCN(Cc3nc(C(=O)[O-])co3)CC2)n1 ZINC001529174962 1070902525 /nfs/dbraw/zinc/90/25/25/1070902525.db2.gz YSRJIFPCWJCOKP-UHFFFAOYSA-N -1 0 320.349 2.259 50 0 DEAARM Cc1ccc(C(=O)[O-])c(NC[C@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001506399046 1061940482 /nfs/dbraw/zinc/94/04/82/1061940482.db2.gz AAMYCKXIEYTVFW-GFCCVEGCSA-N -1 0 317.389 2.291 50 0 DEAARM Cc1nn(C)c(C)c1CCC(=O)NCc1ccc(C(=O)[O-])s1 ZINC000095518802 185376751 /nfs/dbraw/zinc/37/67/51/185376751.db2.gz JPMOHIZAAMUTNT-UHFFFAOYSA-N -1 0 321.402 2.046 50 0 DEAARM CCOc1ccccc1/C=C\C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096758884 185386461 /nfs/dbraw/zinc/38/64/61/185386461.db2.gz LPZMMHBEHUXQOT-CMUBDUJZSA-N -1 0 303.358 2.422 50 0 DEAARM CCCc1cc(C(=O)N[C@H](C(=O)[O-])c2cccc(F)c2)no1 ZINC000095392937 185351867 /nfs/dbraw/zinc/35/18/67/185351867.db2.gz UQOKTMQKHASKBN-ZDUSSCGKSA-N -1 0 306.293 2.322 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H](C)CC(=O)[O-] ZINC000095425004 185361469 /nfs/dbraw/zinc/36/14/69/185361469.db2.gz LGVOFSWVEFEREQ-NSHDSACASA-N -1 0 309.410 2.068 50 0 DEAARM C[C@@H](CC(=O)Nc1ccc(-n2cc(C(=O)[O-])nn2)cc1)C1CC1 ZINC000095425181 185361662 /nfs/dbraw/zinc/36/16/62/185361662.db2.gz QSPCXDZDSSNHHL-JTQLQIEISA-N -1 0 314.345 2.340 50 0 DEAARM O=C([O-])[C@@H]1CCCN1CC(=O)Nc1ccccc1C(F)(F)F ZINC000095428054 185361935 /nfs/dbraw/zinc/36/19/35/185361935.db2.gz VZQILYRBNGYIOE-NSHDSACASA-N -1 0 316.279 2.193 50 0 DEAARM O=S(=O)([N-]c1cccc(-c2nnco2)c1)c1cncc(F)c1 ZINC000095447452 185367774 /nfs/dbraw/zinc/36/77/74/185367774.db2.gz XHMMWSZEPXSZNF-UHFFFAOYSA-N -1 0 320.305 2.072 50 0 DEAARM COc1ccc([C@](C)(NC(=O)c2csc(C)n2)C(=O)[O-])cc1 ZINC000095463984 185371529 /nfs/dbraw/zinc/37/15/29/185371529.db2.gz AFFBJOAQWXNKNQ-HNNXBMFYSA-N -1 0 320.370 2.190 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1 ZINC000097017435 185397726 /nfs/dbraw/zinc/39/77/26/185397726.db2.gz VANYSEBUZGGUIV-SECBINFHSA-N -1 0 306.343 2.340 50 0 DEAARM Cc1ncsc1C(=O)NC[C@@H](Cc1ccc(C)cc1)C(=O)[O-] ZINC000097018856 185397895 /nfs/dbraw/zinc/39/78/95/185397895.db2.gz DKGBKTXBGPDGSC-CYBMUJFWSA-N -1 0 318.398 2.433 50 0 DEAARM C[C@@H](C(=O)N1CCCC[C@@H]1c1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000329163225 295724202 /nfs/dbraw/zinc/72/42/02/295724202.db2.gz GJKORNYNOHZGHL-DGCLKSJQSA-N -1 0 300.362 2.368 50 0 DEAARM CC(C)(C)c1nc(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)cs1 ZINC000236627506 201939889 /nfs/dbraw/zinc/93/98/89/201939889.db2.gz STCDHOVJPXFYBA-OAHLLOKOSA-N -1 0 310.419 2.306 50 0 DEAARM CC(C)(C)n1cc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000236776687 202004567 /nfs/dbraw/zinc/00/45/67/202004567.db2.gz XTDQPSPCCSOWBJ-XBFCOCLRSA-N -1 0 319.405 2.496 50 0 DEAARM O=C([O-])COCC(=O)N(Cc1cccs1)Cc1ccccc1 ZINC000004324667 181098077 /nfs/dbraw/zinc/09/80/77/181098077.db2.gz FYINGPPJWYENNQ-UHFFFAOYSA-N -1 0 319.382 2.378 50 0 DEAARM O=C([O-])CCc1ccc(S(=O)(=O)NCc2ccccc2)cc1 ZINC000004741039 181145269 /nfs/dbraw/zinc/14/52/69/181145269.db2.gz BYURCCSQXGNLHH-UHFFFAOYSA-N -1 0 319.382 2.182 50 0 DEAARM CCc1ccccc1S(=O)(=O)[N-]c1cccn2ncnc12 ZINC000065284067 354681632 /nfs/dbraw/zinc/68/16/32/354681632.db2.gz JYWYERFWRLBAEA-UHFFFAOYSA-N -1 0 302.359 2.093 50 0 DEAARM O=S(=O)([N-]c1cccn2nc(C3CC3)nc12)c1ccccc1 ZINC000065284004 354681643 /nfs/dbraw/zinc/68/16/43/354681643.db2.gz CWRXJPDQRBWUBU-UHFFFAOYSA-N -1 0 314.370 2.408 50 0 DEAARM C[C@H](NC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-])c1ccncc1 ZINC000239165046 299225862 /nfs/dbraw/zinc/22/58/62/299225862.db2.gz NJMOWNDDTXVXPF-NUCXXNSYSA-N -1 0 302.374 2.396 50 0 DEAARM CCC[C@@H](CC(=O)[O-])NC(=O)c1c(Cl)nc2ccccn21 ZINC000097231409 355703041 /nfs/dbraw/zinc/70/30/41/355703041.db2.gz YRVBOIDEPLRPPL-VIFPVBQESA-N -1 0 309.753 2.361 50 0 DEAARM CC(C)Oc1ncccc1[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000150846614 355923569 /nfs/dbraw/zinc/92/35/69/355923569.db2.gz PMESEEFRXMQUMS-GFCCVEGCSA-N -1 0 314.407 2.180 50 0 DEAARM CC[C@H](C)CC(=O)[N-]S(=O)(=O)c1ccc(C(F)(F)F)cn1 ZINC000192261531 356220820 /nfs/dbraw/zinc/22/08/20/356220820.db2.gz LWXZWOPOCYZSMY-QMMMGPOBSA-N -1 0 324.324 2.342 50 0 DEAARM COc1ccc(C(C)(C)C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000237158480 202170064 /nfs/dbraw/zinc/17/00/64/202170064.db2.gz IUOXWOMWVTUICD-LBPRGKRZSA-N -1 0 305.374 2.296 50 0 DEAARM COc1ccccc1C[C@@H](C)CC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000237192779 202183370 /nfs/dbraw/zinc/18/33/70/202183370.db2.gz BRKHPFDCHMHKGZ-TZMCWYRMSA-N -1 0 305.374 2.340 50 0 DEAARM COc1ccc2[nH]cc(CC(=O)N3CCCC[C@H]3C(=O)[O-])c2c1 ZINC000237261064 202207294 /nfs/dbraw/zinc/20/72/94/202207294.db2.gz AMUGCSUOWXVAMW-HNNXBMFYSA-N -1 0 316.357 2.185 50 0 DEAARM COc1csc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000237374940 202248334 /nfs/dbraw/zinc/24/83/34/202248334.db2.gz NBGGQVFEQFMOCS-ZDUSSCGKSA-N -1 0 317.366 2.408 50 0 DEAARM Cc1cc(C(=O)N(C[C@@H](C)C(=O)[O-])C2CC2)nn1C(C)(C)C ZINC000237371354 202246882 /nfs/dbraw/zinc/24/68/82/202246882.db2.gz PHQQSLQUXBKSFM-SNVBAGLBSA-N -1 0 307.394 2.272 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCOc2ccccc2F)C1 ZINC000237522958 202270173 /nfs/dbraw/zinc/27/01/73/202270173.db2.gz CNAJLTMKBBDNMA-MRXNPFEDSA-N -1 0 309.337 2.308 50 0 DEAARM C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@H]1C(=O)[O-] ZINC000237594618 202296794 /nfs/dbraw/zinc/29/67/94/202296794.db2.gz XPVVSAHMNKEQCD-FZMZJTMJSA-N -1 0 324.808 2.408 50 0 DEAARM Cc1cc(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)ccc1F ZINC000237673435 202324664 /nfs/dbraw/zinc/32/46/64/202324664.db2.gz KXRGWFUKPCFVQA-CYBMUJFWSA-N -1 0 309.337 2.230 50 0 DEAARM Cc1cc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)c(Cl)cc1F ZINC000237701940 202332593 /nfs/dbraw/zinc/33/25/93/202332593.db2.gz QRVFLMMFSHEPEL-SECBINFHSA-N -1 0 315.728 2.103 50 0 DEAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cnn1-c1ccccc1C ZINC000237737171 202343163 /nfs/dbraw/zinc/34/31/63/202343163.db2.gz UVMQLVGUFISVAX-HNNXBMFYSA-N -1 0 313.357 2.178 50 0 DEAARM Cc1c(C(=O)N2CCC[C@H]2C(=O)[O-])cnn1-c1ccccc1F ZINC000237755818 202347303 /nfs/dbraw/zinc/34/73/03/202347303.db2.gz GXBFNEBRBCGFJC-AWEZNQCLSA-N -1 0 317.320 2.009 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000238066905 202432850 /nfs/dbraw/zinc/43/28/50/202432850.db2.gz UQLVWIPDQZYKBY-NSHDSACASA-N -1 0 317.263 2.160 50 0 DEAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)Nc1cccc2c1OCCO2 ZINC000055151434 304099892 /nfs/dbraw/zinc/09/98/92/304099892.db2.gz PPDFIIFXPDURIG-WDEREUQCSA-N -1 0 303.314 2.063 50 0 DEAARM CNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(F)c2)cs1 ZINC000006681559 181369852 /nfs/dbraw/zinc/36/98/52/181369852.db2.gz DTYHMLZOHZPFKP-UHFFFAOYSA-N -1 0 314.363 2.048 50 0 DEAARM COc1cc(Cl)c(C)cc1NC(=O)c1nccnc1C(=O)[O-] ZINC000006737283 181380158 /nfs/dbraw/zinc/38/01/58/181380158.db2.gz CALLTNOIMURNLI-UHFFFAOYSA-N -1 0 321.720 2.398 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccccc2Cl)CCO1 ZINC000091292629 193033045 /nfs/dbraw/zinc/03/30/45/193033045.db2.gz WOUPNIJZWTZHGR-FYJFLYSWSA-N -1 0 309.749 2.055 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(Cl)c2Cl)CCO1 ZINC000091292404 193033398 /nfs/dbraw/zinc/03/33/98/193033398.db2.gz YDGJKPXAAMFXMT-MRVPVSSYSA-N -1 0 318.156 2.309 50 0 DEAARM Cc1ccc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cc1 ZINC000091518808 193067911 /nfs/dbraw/zinc/06/79/11/193067911.db2.gz NCRNVERWRRJHFA-JKSUJKDBSA-N -1 0 301.386 2.497 50 0 DEAARM CCC[C@]1(C(=O)[O-])CCCN(C(=O)c2cc(C)c(C)[nH]c2=O)C1 ZINC000091694325 193092482 /nfs/dbraw/zinc/09/24/82/193092482.db2.gz CGIHXDKMLYJEND-KRWDZBQOSA-N -1 0 320.389 2.099 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cccc(F)c2)C[C@H]1C1CC1 ZINC000091907698 193124597 /nfs/dbraw/zinc/12/45/97/193124597.db2.gz ZBSGYVVQEOJPKG-LSDHHAIUSA-N -1 0 305.349 2.328 50 0 DEAARM Cn1cccc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091943096 193129438 /nfs/dbraw/zinc/12/94/38/193129438.db2.gz SSFYWYRQHKYDFC-UONOGXRCSA-N -1 0 316.332 2.105 50 0 DEAARM C[C@](CNC(=O)c1cnn(C(F)F)c1)(C(=O)[O-])c1ccccc1 ZINC000630170137 367512621 /nfs/dbraw/zinc/51/26/21/367512621.db2.gz MFMCESHLFGKIAJ-OAHLLOKOSA-N -1 0 323.299 2.051 50 0 DEAARM O=C([O-])c1ccc(N2CCN(C(=O)C[C@@H]3C=CCC3)CC2)cc1 ZINC000218966891 201547552 /nfs/dbraw/zinc/54/75/52/201547552.db2.gz DOMCBJMLZUQNJF-CQSZACIVSA-N -1 0 314.385 2.390 50 0 DEAARM CN(Cc1ccc(Br)s1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000258731148 203070297 /nfs/dbraw/zinc/07/02/97/203070297.db2.gz QYWBHRIYIBMMRQ-HTQZYQBOSA-N -1 0 318.192 2.190 50 0 DEAARM O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCO2)c2ccccc12 ZINC000262506998 203312975 /nfs/dbraw/zinc/31/29/75/203312975.db2.gz OIEPOFQIKMAHGE-HNNXBMFYSA-N -1 0 315.325 2.421 50 0 DEAARM COc1ccc(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000262576828 203335985 /nfs/dbraw/zinc/33/59/85/203335985.db2.gz OVMTYMGTIQANBL-CYBMUJFWSA-N -1 0 309.337 2.233 50 0 DEAARM COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(OC)c1 ZINC000262580666 203338712 /nfs/dbraw/zinc/33/87/12/203338712.db2.gz FMMUOZYGVBDACB-RDBSUJKOSA-N -1 0 319.357 2.088 50 0 DEAARM CCOC(=O)c1ccc(Nc2nc(=O)c(C(C)(C)C)n[n-]2)cc1 ZINC000008579120 181566002 /nfs/dbraw/zinc/56/60/02/181566002.db2.gz BIXBMLJSGFZZQP-UHFFFAOYSA-N -1 0 316.361 2.383 50 0 DEAARM O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1coc(-c2ccccc2)n1 ZINC000244719136 304163094 /nfs/dbraw/zinc/16/30/94/304163094.db2.gz LXTIDDGDVQDEAB-HNNXBMFYSA-N -1 0 324.340 2.249 50 0 DEAARM O=C([O-])CCc1nc2nc(-c3ccco3)cc(C(F)F)n2n1 ZINC000012399124 181757496 /nfs/dbraw/zinc/75/74/96/181757496.db2.gz BVSDWOUYEOHERC-UHFFFAOYSA-N -1 0 308.244 2.339 50 0 DEAARM Cn1cnc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)c1 ZINC000015777549 182016034 /nfs/dbraw/zinc/01/60/34/182016034.db2.gz PKNLOIGIDARFNA-UHFFFAOYSA-N -1 0 305.281 2.240 50 0 DEAARM O=c1[n-]c(Nc2ccc3c(c2)OCO3)nnc1-c1ccccc1 ZINC000016675964 182057592 /nfs/dbraw/zinc/05/75/92/182057592.db2.gz BOPGPSPFJCPMPN-UHFFFAOYSA-N -1 0 308.297 2.304 50 0 DEAARM O=C(Nc1cnc2n1CCCC2)c1cc(=O)c2ccccc2[n-]1 ZINC000067910396 284393126 /nfs/dbraw/zinc/39/31/26/284393126.db2.gz CTAJTXIXQUBXFH-UHFFFAOYSA-N -1 0 308.341 2.313 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(-n2cccn2)c(F)c1 ZINC000136492966 304178588 /nfs/dbraw/zinc/17/85/88/304178588.db2.gz CQDBAGAMKVGYQI-CQSZACIVSA-N -1 0 317.320 2.091 50 0 DEAARM CN(c1ccc(CC(=O)[O-])cc1)S(=O)(=O)c1ccccc1 ZINC000020227178 182199501 /nfs/dbraw/zinc/19/95/01/182199501.db2.gz CPCUCQBTGYAWLG-UHFFFAOYSA-N -1 0 305.355 2.139 50 0 DEAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc2ccccc2c1 ZINC000002552648 304180779 /nfs/dbraw/zinc/18/07/79/304180779.db2.gz CVUMUGYSSLNOMH-OAHLLOKOSA-N -1 0 319.382 2.468 50 0 DEAARM CCCn1c2ccccc2c([O-])c(C(=O)Nc2ncccn2)c1=O ZINC000100329680 193798361 /nfs/dbraw/zinc/79/83/61/193798361.db2.gz JTIMWXYJPSUODL-UHFFFAOYSA-N -1 0 324.340 2.159 50 0 DEAARM O=C([O-])C1(NS(=O)(=O)c2cccc(Cl)c2F)CCCC1 ZINC000036983553 182859124 /nfs/dbraw/zinc/85/91/24/182859124.db2.gz LOKRYQJKFYZNLV-UHFFFAOYSA-N -1 0 321.757 2.155 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccncc1Cl ZINC000175017928 304207458 /nfs/dbraw/zinc/20/74/58/304207458.db2.gz JBWCGSLUBWCMCM-CQSZACIVSA-N -1 0 316.744 2.387 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)/C=C\c2cncc(F)c2)c1 ZINC000493415282 249293128 /nfs/dbraw/zinc/29/31/28/249293128.db2.gz COOQOWVVNVVMMH-PLNGDYQASA-N -1 0 300.289 2.249 50 0 DEAARM CCn1c(=O)c2ccc(C(=O)NC(C)(C)C)cc2[n-]c1=S ZINC000102171980 193865647 /nfs/dbraw/zinc/86/56/47/193865647.db2.gz CBMRKMWASAFYOX-UHFFFAOYSA-N -1 0 305.403 2.233 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(S(=O)(=O)c2cccc(F)c2)C1 ZINC000043584775 183374006 /nfs/dbraw/zinc/37/40/06/183374006.db2.gz RFBSXBRLVKIEGC-NSHDSACASA-N -1 0 315.366 2.091 50 0 DEAARM O=C([O-])c1cc(Br)c(=O)n(Cc2ccccc2)c1 ZINC000003883963 304220528 /nfs/dbraw/zinc/22/05/28/304220528.db2.gz QUWLOIDREFLJIY-UHFFFAOYSA-N -1 0 308.131 2.357 50 0 DEAARM C[C@@H](CNC(=O)Cc1csc(-c2cccs2)n1)C(=O)[O-] ZINC000054310074 183933840 /nfs/dbraw/zinc/93/38/40/183933840.db2.gz MEWJWVIWURRSPE-QMMMGPOBSA-N -1 0 310.400 2.251 50 0 DEAARM Cc1oc(CN(C)C(=O)[C@@H]2Cc3ccccc3O2)cc1C(=O)[O-] ZINC000268944366 207110428 /nfs/dbraw/zinc/11/04/28/207110428.db2.gz VHGVCEKQFANALU-HNNXBMFYSA-N -1 0 315.325 2.248 50 0 DEAARM CN1c2ccc(NC(=O)CCCC(=O)[O-])cc2C(C)(C)C1=O ZINC000057280473 184031921 /nfs/dbraw/zinc/03/19/21/184031921.db2.gz DLVGNGSLPUKTNX-UHFFFAOYSA-N -1 0 304.346 2.134 50 0 DEAARM Cc1cccc(NC(=O)[C@H](Cc2cccnc2)c2nnn[n-]2)c1C ZINC000057523527 184040748 /nfs/dbraw/zinc/04/07/48/184040748.db2.gz ZQPQALPDPXRLFI-CQSZACIVSA-N -1 0 322.372 2.177 50 0 DEAARM COCCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1cccc(C)c1C ZINC000057982503 184063970 /nfs/dbraw/zinc/06/39/70/184063970.db2.gz JTDDWZVOWSATFB-GOEBONIOSA-N -1 0 305.374 2.314 50 0 DEAARM O=C(NCCNC(=O)C1CCCC1)c1ccc([O-])c(Cl)c1 ZINC000058224583 184090500 /nfs/dbraw/zinc/09/05/00/184090500.db2.gz GKXAGTOSWUPZBB-UHFFFAOYSA-N -1 0 310.781 2.082 50 0 DEAARM Cc1nnc2c(S(=O)(=O)[N-]c3cc(C)cc(C)c3)cccn12 ZINC000062592017 184244546 /nfs/dbraw/zinc/24/45/46/184244546.db2.gz GOUKALHXZMEXON-UHFFFAOYSA-N -1 0 316.386 2.455 50 0 DEAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)N[C@H](C)C(=O)[O-] ZINC000067640886 184475892 /nfs/dbraw/zinc/47/58/92/184475892.db2.gz PJMVHGCXBPRQEZ-MRVPVSSYSA-N -1 0 308.334 2.461 50 0 DEAARM COCCCN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1ccc(F)cc1 ZINC000069417763 184513341 /nfs/dbraw/zinc/51/33/41/184513341.db2.gz MAFPTAYORQROKZ-UKRRQHHQSA-N -1 0 309.337 2.227 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3CC(Cl)=CC[C@@H]3C2=O)cc1 ZINC000100571179 304246112 /nfs/dbraw/zinc/24/61/12/304246112.db2.gz RSYBDRBOQGBIFC-NWDGAFQWSA-N -1 0 305.717 2.407 50 0 DEAARM Cc1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)c(C)c1 ZINC000237815594 257238627 /nfs/dbraw/zinc/23/86/27/257238627.db2.gz KOVMWNOZMOUEDR-AATRIKPKSA-N -1 0 317.385 2.409 50 0 DEAARM COc1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1C ZINC000299741982 533512176 /nfs/dbraw/zinc/51/21/76/533512176.db2.gz ANTSOFYOAADSJR-AWEZNQCLSA-N -1 0 321.373 2.100 50 0 DEAARM Cc1oc(CNC(=O)[C@H]2Cc3cc(F)ccc3O2)cc1C(=O)[O-] ZINC000361981442 133202697 /nfs/dbraw/zinc/20/26/97/133202697.db2.gz LDVLJCMBPGIXDK-CQSZACIVSA-N -1 0 319.288 2.045 50 0 DEAARM O=C([O-])[C@H](CNC(=O)[C@H]1CCc2cc(F)ccc21)CC1CC1 ZINC000563448981 292058004 /nfs/dbraw/zinc/05/80/04/292058004.db2.gz DJAYSYFJCUTAKO-WFASDCNBSA-N -1 0 305.349 2.473 50 0 DEAARM CCc1nc(C)c(C(=O)N[C@H](Cc2ccccc2)C(=O)[O-])s1 ZINC000262368525 145279308 /nfs/dbraw/zinc/27/93/08/145279308.db2.gz AKQMDUDPECWGRI-GFCCVEGCSA-N -1 0 318.398 2.440 50 0 DEAARM COCC1(C)CCN(C(=O)c2cccc(OCC(=O)[O-])c2)CC1 ZINC000262723044 145302279 /nfs/dbraw/zinc/30/22/79/145302279.db2.gz FPTJLRJCCWVNQI-UHFFFAOYSA-N -1 0 321.373 2.039 50 0 DEAARM O=C([O-])c1csc(CNC(=O)c2ccnn2C2CCCC2)n1 ZINC000262790894 145305097 /nfs/dbraw/zinc/30/50/97/145305097.db2.gz PQESWWJUEVMMHL-UHFFFAOYSA-N -1 0 320.374 2.083 50 0 DEAARM O=C([O-])[C@@H]1CCCN(c2nccc(OCc3ccccc3)n2)C1 ZINC000262966912 145314304 /nfs/dbraw/zinc/31/43/04/145314304.db2.gz APEWZBMWOVUBRO-CQSZACIVSA-N -1 0 313.357 2.357 50 0 DEAARM Cc1c(-c2n[n-]c(=S)o2)sc2nc3n(c(=O)c12)CCC3 ZINC000004387487 401726076 /nfs/dbraw/zinc/72/60/76/401726076.db2.gz DKEJLFBAMHODFN-UHFFFAOYSA-N -1 0 306.372 2.425 50 0 DEAARM C[C@H]1CN(c2ncccc2C(=O)[O-])CCN1C(=O)OC(C)(C)C ZINC000006744062 401732762 /nfs/dbraw/zinc/73/27/62/401732762.db2.gz PZDHQKRJVKDSKS-NSHDSACASA-N -1 0 321.377 2.225 50 0 DEAARM COc1ccc(OCC(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000000042678 401687461 /nfs/dbraw/zinc/68/74/61/401687461.db2.gz FZFMSNAQRSCEPX-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 biogenic DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000000121274 401688224 /nfs/dbraw/zinc/68/82/24/401688224.db2.gz OCSGTUOFPZNBQW-UHFFFAOYSA-N -1 0 306.343 2.151 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2nnc(C(C)C)s2)cc1 ZINC000000199393 401690001 /nfs/dbraw/zinc/69/00/01/401690001.db2.gz DCOUGMGNHGFYQI-UHFFFAOYSA-N -1 0 313.404 2.471 50 0 DEAARM CN(CC(=O)[O-])S(=O)(=O)c1cccc2cccc(Cl)c21 ZINC000000381822 401696362 /nfs/dbraw/zinc/69/63/62/401696362.db2.gz JQHASINFKFCSFT-UHFFFAOYSA-N -1 0 313.762 2.198 50 0 DEAARM CC(C)[C@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000002102995 401712073 /nfs/dbraw/zinc/71/20/73/401712073.db2.gz BHEOONAHJPDLMN-AWEZNQCLSA-N -1 0 303.362 2.119 50 0 biogenic DEAARM COc1ccc(CC(=O)NC2(C(=O)[O-])CCCCC2)c(OC)c1 ZINC000013168601 401797785 /nfs/dbraw/zinc/79/77/85/401797785.db2.gz JODKQAVQHRYHQS-UHFFFAOYSA-N -1 0 321.373 2.150 50 0 DEAARM Cc1c(NC2=NS(=O)(=O)c3ccccc32)cccc1C(=O)[O-] ZINC000013945548 401805094 /nfs/dbraw/zinc/80/50/94/401805094.db2.gz KQQIEMRJPTXOCZ-UHFFFAOYSA-N -1 0 316.338 2.254 50 0 DEAARM O=C([O-])c1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 ZINC000008429609 401752888 /nfs/dbraw/zinc/75/28/88/401752888.db2.gz WHUBCUHETIKGPP-UHFFFAOYSA-N -1 0 313.309 2.337 50 0 DEAARM COc1cc(NC(=O)c2cccc(O)c2)c(C(=O)[O-])cc1OC ZINC000008981655 401757914 /nfs/dbraw/zinc/75/79/14/401757914.db2.gz HJZFMYQOUXCRHT-UHFFFAOYSA-N -1 0 317.297 2.360 50 0 DEAARM CSCC[C@H](NC(=O)N1CC(=O)Nc2ccccc21)C(=O)[O-] ZINC000009059063 401758783 /nfs/dbraw/zinc/75/87/83/401758783.db2.gz NEQIVHNVEAIZRP-JTQLQIEISA-N -1 0 323.374 2.011 50 0 DEAARM COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])c(OC)c1 ZINC000009349691 401761718 /nfs/dbraw/zinc/76/17/18/401761718.db2.gz QGZHQJDSJOUKMP-SDQBBNPISA-N -1 0 321.358 2.348 50 0 DEAARM O=C([O-])c1ccn(-c2ccc(NC(=O)[C@H]3CCCCO3)cc2)n1 ZINC000128422001 401776149 /nfs/dbraw/zinc/77/61/49/401776149.db2.gz BAXYEOFALYWRFI-CQSZACIVSA-N -1 0 315.329 2.078 50 0 DEAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccccc2F)s1 ZINC000012379814 401784469 /nfs/dbraw/zinc/78/44/69/401784469.db2.gz UWBRRTIVCLNKSM-UHFFFAOYSA-N -1 0 315.351 2.041 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000012895461 401793368 /nfs/dbraw/zinc/79/33/68/401793368.db2.gz PMCPSETUZFFITH-ZDUSSCGKSA-N -1 0 300.358 2.424 50 0 biogenic DEAARM CC(=O)Nc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000013091939 401796482 /nfs/dbraw/zinc/79/64/82/401796482.db2.gz CQDPRQZFYZOEAK-UHFFFAOYSA-N -1 0 312.325 2.273 50 0 DEAARM CS(=O)(=O)c1ccc(N2CCC[C@@H](C(=O)[O-])C2)c(Cl)c1 ZINC000015443232 401817789 /nfs/dbraw/zinc/81/77/89/401817789.db2.gz HIVMFHRRCYJFBK-SECBINFHSA-N -1 0 317.794 2.045 50 0 DEAARM COc1ccccc1NC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC000026422329 401840234 /nfs/dbraw/zinc/84/02/34/401840234.db2.gz DRSPTGHJYAZUNA-UHFFFAOYSA-N -1 0 307.331 2.423 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3c(c2)CCO3)c1 ZINC000026543575 401841664 /nfs/dbraw/zinc/84/16/64/401841664.db2.gz DMJDQDVFTSLMOS-UHFFFAOYSA-N -1 0 319.338 2.121 50 0 DEAARM O=C([O-])CCCN1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000116358763 401850897 /nfs/dbraw/zinc/85/08/97/401850897.db2.gz KJBPPVOADFMDNK-UHFFFAOYSA-N -1 0 318.204 2.375 50 0 DEAARM Cn1ncnc1CNC(=O)c1cc(Cl)c2ccccc2c1[O-] ZINC000080033907 401887318 /nfs/dbraw/zinc/88/73/18/401887318.db2.gz WRNONCHGEVOFHA-UHFFFAOYSA-N -1 0 316.748 2.257 50 0 DEAARM Cc1c(Cl)cccc1S(=O)(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000034781613 401893927 /nfs/dbraw/zinc/89/39/27/401893927.db2.gz ZKZAAQOSAHCUEV-JTQLQIEISA-N -1 0 317.794 2.134 50 0 DEAARM CCCc1cc(C(=O)N2C[C@@H](OC)C[C@@H]2C(=O)[O-])sc1C ZINC000037455056 401914062 /nfs/dbraw/zinc/91/40/62/401914062.db2.gz OTXPNOVQSMNQRC-NWDGAFQWSA-N -1 0 311.403 2.323 50 0 DEAARM CC(=O)N(Cc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1)C(C)C ZINC000118976677 401916569 /nfs/dbraw/zinc/91/65/69/401916569.db2.gz HLSMDYQSFDDTTE-UHFFFAOYSA-N -1 0 318.373 2.247 50 0 DEAARM CC(C)Oc1cccc(CC(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000136131068 401961511 /nfs/dbraw/zinc/96/15/11/401961511.db2.gz FOQHTVHTIUCJMQ-AWEZNQCLSA-N -1 0 305.374 2.340 50 0 DEAARM CC(C)Oc1cccc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000136490607 401968498 /nfs/dbraw/zinc/96/84/98/401968498.db2.gz ZEAZSKYUCHVWIM-OAHLLOKOSA-N -1 0 305.374 2.482 50 0 DEAARM O=C([O-])c1cccc(NC(=O)c2cn(-c3ccccc3)nn2)c1 ZINC000089857596 401968686 /nfs/dbraw/zinc/96/86/86/401968686.db2.gz ZIGMJYVKPVBOFE-UHFFFAOYSA-N -1 0 308.297 2.218 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCCNC(=O)OC(C)(C)C ZINC000145987723 401991473 /nfs/dbraw/zinc/99/14/73/401991473.db2.gz ODGPNCYMDVDULX-UHFFFAOYSA-N -1 0 311.334 2.297 50 0 DEAARM O=C(NCCc1cccs1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409568 402016643 /nfs/dbraw/zinc/01/66/43/402016643.db2.gz UUWYPVBMHQXHSE-UHFFFAOYSA-N -1 0 320.395 2.329 50 0 DEAARM O=C(NCc1ccccc1)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000049409550 402016827 /nfs/dbraw/zinc/01/68/27/402016827.db2.gz VUPKPODSIBPFQG-UHFFFAOYSA-N -1 0 300.339 2.225 50 0 DEAARM O=c1nc(N2CCOCC2)nc(Nc2cccc3ccccc32)[n-]1 ZINC000095349900 402026420 /nfs/dbraw/zinc/02/64/20/402026420.db2.gz FTMWNIJNTOKIRW-UHFFFAOYSA-N -1 0 323.356 2.311 50 0 DEAARM Cc1ccccc1-n1cc(C(=O)N2CCC(C(=O)[O-])CC2)cn1 ZINC000095969455 402038696 /nfs/dbraw/zinc/03/86/96/402038696.db2.gz LCJMAPQYWVQBRG-UHFFFAOYSA-N -1 0 313.357 2.118 50 0 DEAARM O=C(c1csc2ccccc12)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095976971 402040145 /nfs/dbraw/zinc/04/01/45/402040145.db2.gz URPVYJLJQJBQFD-SNVBAGLBSA-N -1 0 313.386 2.434 50 0 DEAARM Cc1nc(C)c(S(=O)(=O)[N-]c2c(F)cccc2CO)s1 ZINC000095977426 402040669 /nfs/dbraw/zinc/04/06/69/402040669.db2.gz RYOFTUKWZOXULC-UHFFFAOYSA-N -1 0 316.379 2.192 50 0 DEAARM C[C@](NC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)(C(=O)[O-])C1CC1 ZINC000095989583 402043453 /nfs/dbraw/zinc/04/34/53/402043453.db2.gz AUVSCOCFNSJTFA-GLKRBJQHSA-N -1 0 309.312 2.438 50 0 DEAARM COCCS(=O)(=O)[N-]c1ccc(F)cc1C(F)(F)F ZINC000096466804 402092642 /nfs/dbraw/zinc/09/26/42/402092642.db2.gz FEVNCLXFZJRRBG-UHFFFAOYSA-N -1 0 301.261 2.233 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000096479540 402094199 /nfs/dbraw/zinc/09/41/99/402094199.db2.gz FZMUJUFJBBNJHA-JTQLQIEISA-N -1 0 304.321 2.173 50 0 DEAARM Cc1conc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000097085657 402105973 /nfs/dbraw/zinc/10/59/73/402105973.db2.gz IWKVNQIROIFWQX-UHFFFAOYSA-N -1 0 318.301 2.428 50 0 DEAARM Cc1cn(C)c(CC(=O)N(C)c2ccc(F)cc2)c1C(=O)[O-] ZINC000064980589 402122362 /nfs/dbraw/zinc/12/23/62/402122362.db2.gz PVAZRAYLFUWAHI-UHFFFAOYSA-N -1 0 304.321 2.376 50 0 DEAARM O=C([O-])CCn1cc(CN2CCCC[C@H]2c2ccccn2)cn1 ZINC000097243764 402119556 /nfs/dbraw/zinc/11/95/56/402119556.db2.gz WIECXIXYCQYUSY-INIZCTEOSA-N -1 0 314.389 2.480 50 0 DEAARM CCn1c2ccccc2c([O-])c(C(=O)Nc2ccccn2)c1=O ZINC000100329655 402141049 /nfs/dbraw/zinc/14/10/49/402141049.db2.gz GBWNZUMLEVBNBY-UHFFFAOYSA-N -1 0 309.325 2.374 50 0 DEAARM CC(C)(C)c1ccc(C(=O)N2CC[C@H](O)C[C@@H]2C(=O)[O-])cc1 ZINC000065371943 402124123 /nfs/dbraw/zinc/12/41/23/402124123.db2.gz CKSKMWAWHHFXNU-UONOGXRCSA-N -1 0 305.374 2.034 50 0 DEAARM CC1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)C1CCc1ccccc1 ZINC000101449749 402145311 /nfs/dbraw/zinc/14/53/11/402145311.db2.gz BHZMCMOFSUNPTF-CQSZACIVSA-N -1 0 320.414 2.042 50 0 DEAARM O=C([O-])c1ccc(-c2nccn2-c2cnn3cccnc23)s1 ZINC000067789885 402172887 /nfs/dbraw/zinc/17/28/87/402172887.db2.gz KULZUZXFUALASS-UHFFFAOYSA-N -1 0 311.326 2.342 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)n1 ZINC000124326993 402174877 /nfs/dbraw/zinc/17/48/77/402174877.db2.gz OFTAWIWQZDAHGI-MNOVXSKESA-N -1 0 320.345 2.400 50 0 DEAARM COc1cc(C)c(S(=O)(=O)[N-]c2nnc(C)s2)cc1C ZINC000176593510 402322351 /nfs/dbraw/zinc/32/23/51/402322351.db2.gz AGELHGQEKREWMH-UHFFFAOYSA-N -1 0 313.404 2.273 50 0 DEAARM Cc1nn(-c2cccc(-n3cnnc3)c2)c(C)c1CCC(=O)[O-] ZINC000071278921 402271972 /nfs/dbraw/zinc/27/19/72/402271972.db2.gz SSXSMBRRTBKEIH-UHFFFAOYSA-N -1 0 311.345 2.087 50 0 DEAARM O=C([O-])c1cc(-c2ccoc2)cc(S(=O)(=O)N2CCCC2)c1 ZINC000071551852 402275884 /nfs/dbraw/zinc/27/58/84/402275884.db2.gz KCSJHODGMOCKBP-UHFFFAOYSA-N -1 0 321.354 2.429 50 0 DEAARM O=C([O-])[C@H]1CCC(=O)N(CCc2cccnc2)[C@@H]1c1ccco1 ZINC000071857696 402288907 /nfs/dbraw/zinc/28/89/07/402288907.db2.gz LIHHRTBNNKQDKQ-BBRMVZONSA-N -1 0 314.341 2.282 50 0 DEAARM O=C([O-])CC1(NC(=O)c2ccc3nccn3c2)CCCCC1 ZINC000222604070 402308118 /nfs/dbraw/zinc/30/81/18/402308118.db2.gz DRSTXSLGCXMVJI-UHFFFAOYSA-N -1 0 301.346 2.242 50 0 DEAARM CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H](c3nnn[n-]3)C2)C1(C)C ZINC000229971382 402345953 /nfs/dbraw/zinc/34/59/53/402345953.db2.gz OMTYEWHOQIZKRS-JHJVBQTASA-N -1 0 303.410 2.144 50 0 DEAARM Cc1ccc(F)c(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)c1 ZINC000237766170 402420766 /nfs/dbraw/zinc/42/07/66/402420766.db2.gz BLQHJHUBWNSJBQ-LBPRGKRZSA-N -1 0 309.337 2.230 50 0 DEAARM O=C([O-])C1(NC(=O)Cc2ccccc2C(F)(F)F)CCC1 ZINC000238087462 402437445 /nfs/dbraw/zinc/43/74/45/402437445.db2.gz XNNIAWGJKZPWTE-UHFFFAOYSA-N -1 0 301.264 2.371 50 0 DEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000238104080 402437784 /nfs/dbraw/zinc/43/77/84/402437784.db2.gz DXAGSTRYFLATNH-LSDHHAIUSA-N -1 0 321.348 2.021 50 0 DEAARM O=C([O-])c1ccc(C(=O)NC[C@@H]2CCOc3ccccc32)cn1 ZINC000171000900 402548811 /nfs/dbraw/zinc/54/88/11/402548811.db2.gz CQEXHZDITWZDCE-NSHDSACASA-N -1 0 312.325 2.076 50 0 DEAARM O=C(c1c([O-])cc(F)cc1F)N1CCC[C@@H](c2cc[nH]n2)C1 ZINC000171088669 402556462 /nfs/dbraw/zinc/55/64/62/402556462.db2.gz VQJMTVDMUSHULX-SECBINFHSA-N -1 0 307.300 2.413 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000249240613 402623498 /nfs/dbraw/zinc/62/34/98/402623498.db2.gz CUIAUOAATGQYRC-RNJOBUHISA-N -1 0 309.749 2.007 50 0 DEAARM COc1ccccc1OCC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000261832961 402718300 /nfs/dbraw/zinc/71/83/00/402718300.db2.gz XVQNNCJPWZQPTJ-ZDUSSCGKSA-N -1 0 321.373 2.177 50 0 DEAARM CCC1(CC)[C@H](OC)C[C@H]1N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262788048 402731780 /nfs/dbraw/zinc/73/17/80/402731780.db2.gz MTTVEEZFHSZDSZ-ZIAGYGMSSA-N -1 0 320.389 2.446 50 0 DEAARM C[C@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000262999728 402740286 /nfs/dbraw/zinc/74/02/86/402740286.db2.gz RBMCLWLHRXZQSI-UMVBOHGHSA-N -1 0 305.374 2.303 50 0 DEAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1ncccc1C(F)(F)F ZINC000263081036 402743093 /nfs/dbraw/zinc/74/30/93/402743093.db2.gz ZCGLIGQLUQINSH-QMMMGPOBSA-N -1 0 302.252 2.180 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cscn2)c2ccccc21 ZINC000192963273 402758578 /nfs/dbraw/zinc/75/85/78/402758578.db2.gz JPRSHXWCMUYARK-GFCCVEGCSA-N -1 0 302.355 2.291 50 0 DEAARM COc1cc(/C=C/C(=O)N2CCCC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000272393467 402931568 /nfs/dbraw/zinc/93/15/68/402931568.db2.gz HSWPQAFUKWSWHR-LQYUOIDQSA-N -1 0 319.357 2.183 50 0 DEAARM CN1C(=O)C[C@@](CC(=O)[O-])(c2ccc(-c3ccccc3)cc2)C1=O ZINC000299776946 403571978 /nfs/dbraw/zinc/57/19/78/403571978.db2.gz GCOODMPGCVVGPY-LJQANCHMSA-N -1 0 323.348 2.455 50 0 DEAARM CC(C)[C@H](NC(=O)N(C)Cc1ccnc2ccccc12)C(=O)[O-] ZINC000426547573 405368168 /nfs/dbraw/zinc/36/81/68/405368168.db2.gz GIQVZOQYYVLSSY-HNNXBMFYSA-N -1 0 315.373 2.485 50 0 DEAARM Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)NCc1cc(C2CC2)on1 ZINC000426662050 405373106 /nfs/dbraw/zinc/37/31/06/405373106.db2.gz DVENVAMHAAIPDE-UHFFFAOYSA-N -1 0 303.318 2.125 50 0 DEAARM Cc1nc(CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)cs1 ZINC000426707208 405375039 /nfs/dbraw/zinc/37/50/39/405375039.db2.gz MHBQBYLDYPSQLC-LBPRGKRZSA-N -1 0 320.418 2.112 50 0 DEAARM CCN(CC(C)C)C(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000103074006 424848042 /nfs/dbraw/zinc/84/80/42/424848042.db2.gz OZSPDUYKADFGSE-UHFFFAOYSA-N -1 0 319.430 2.340 50 0 DEAARM Cc1c2ccccc2c(=O)[nH]c1C(=O)N(CC(=O)[O-])C1CCC1 ZINC000655587789 425606108 /nfs/dbraw/zinc/60/61/08/425606108.db2.gz XRPPMGJLBMTLEN-UHFFFAOYSA-N -1 0 314.341 2.328 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H](O)[C@H](Nc2ncnc3c4ccccc4oc32)C1 ZINC000662895906 425758643 /nfs/dbraw/zinc/75/86/43/425758643.db2.gz JGFBVYHVYXXUJY-JMJZKYOTSA-N -1 0 313.313 2.012 50 0 DEAARM COc1cc(C)ccc1OCC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000299744372 533688592 /nfs/dbraw/zinc/68/85/92/533688592.db2.gz SEGPQDXXKABXDO-UHFFFAOYSA-N -1 0 321.373 2.142 50 0 DEAARM CC1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)n(C)c3=O)CC1 ZINC000102362047 275935745 /nfs/dbraw/zinc/93/57/45/275935745.db2.gz KGGJQMMCCJRJIK-UHFFFAOYSA-N -1 0 317.414 2.094 50 0 DEAARM COc1ccc(F)cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)[O-] ZINC000262841775 295150183 /nfs/dbraw/zinc/15/01/83/295150183.db2.gz DAQPNBJSDXWUGI-PXWWUCIGSA-N -1 0 307.321 2.160 50 0 DEAARM COc1cccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])c1 ZINC000032919334 295287411 /nfs/dbraw/zinc/28/74/11/295287411.db2.gz WZJWIGCQPGNHIA-INIZCTEOSA-N -1 0 311.337 2.347 50 0 DEAARM C[C@H](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])n1cccc1 ZINC000097017903 298298169 /nfs/dbraw/zinc/29/81/69/298298169.db2.gz OYYNDUHJAPAFPM-CJNGLKHVSA-N -1 0 312.369 2.477 50 0 DEAARM C[C@H](CN(C)C(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)[O-] ZINC000299363849 298496628 /nfs/dbraw/zinc/49/66/28/298496628.db2.gz OFYOZRXVRBCQKO-DOMZBBRYSA-N -1 0 321.373 2.037 50 0 DEAARM Cc1c2c(cc(=O)n1C)[n-]n(-c1nc3ccccc3s1)c2=O ZINC000012407291 301015120 /nfs/dbraw/zinc/01/51/20/301015120.db2.gz CCHQGZBIIPBEKY-UHFFFAOYSA-N -1 0 312.354 2.300 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])c(C)c1 ZINC000003865033 301192325 /nfs/dbraw/zinc/19/23/25/301192325.db2.gz MLBJLSZKKAXPTE-ZDUSSCGKSA-N -1 0 311.403 2.240 50 0 DEAARM Cc1cccc2sc(NC(=O)c3nn(C)cc3C(=O)[O-])nc21 ZINC000020614483 302074252 /nfs/dbraw/zinc/07/42/52/302074252.db2.gz GIBMIRBIWQFXDJ-UHFFFAOYSA-N -1 0 316.342 2.289 50 0 DEAARM O=S(=O)(C[C@@H]1CCCO1)[N-]c1cnoc1-c1ccccc1 ZINC000182489515 333040968 /nfs/dbraw/zinc/04/09/68/333040968.db2.gz ZDMUWYGLXFYSKW-LBPRGKRZSA-N -1 0 308.359 2.262 50 0 DEAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000426643058 534510197 /nfs/dbraw/zinc/51/01/97/534510197.db2.gz VHEFBXAEIULVHG-LLVKDONJSA-N -1 0 319.386 2.049 50 0 DEAARM CC[C@](CNC(=O)[C@@H]1CCO[C@@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000262976587 535869498 /nfs/dbraw/zinc/86/94/98/535869498.db2.gz KLBAOCMSLIXCJA-PMUMKWKESA-N -1 0 319.401 2.350 50 0 DEAARM COc1ccc2nc(/C=C/c3cnnn3C)cc(C(=O)[O-])c2c1 ZINC000170023578 646637028 /nfs/dbraw/zinc/63/70/28/646637028.db2.gz URRWZGFCOBPBOP-ONEGZZNKSA-N -1 0 310.313 2.241 50 0 DEAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000072142004 683927503 /nfs/dbraw/zinc/92/75/03/683927503.db2.gz RZWLJJYRRAPKBH-LLVKDONJSA-N -1 0 312.325 2.115 50 0 DEAARM Cc1cccc(OCC(=O)NN=Cc2ccccc2C(=O)[O-])c1 ZINC000254704947 685198010 /nfs/dbraw/zinc/19/80/10/685198010.db2.gz TYSIYZIFYWPUGQ-UHFFFAOYSA-N -1 0 312.325 2.222 50 0 DEAARM Cc1ccc2[nH]c([C@H](NC(=O)NCCC(=O)[O-])C(C)C)nc2c1 ZINC000828000919 783720049 /nfs/dbraw/zinc/72/00/49/783720049.db2.gz MYUSIRZMXJDNSB-CQSZACIVSA-N -1 0 318.377 2.342 50 0 DEAARM CCOc1ccc(S(=O)(=O)[N-]c2cnn(C)c2Cl)cc1 ZINC000585118951 789705491 /nfs/dbraw/zinc/70/54/91/789705491.db2.gz JYBQCLWAHFBIJX-UHFFFAOYSA-N -1 0 315.782 2.273 50 0 DEAARM O=c1[n-]c(CNc2nc(-c3ccccc3)nc3c2CCC3)n[nH]1 ZINC001506404085 1061945994 /nfs/dbraw/zinc/94/59/94/1061945994.db2.gz VFZVBCRYULFYRJ-UHFFFAOYSA-N -1 0 308.345 2.068 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)/C=C/c1c(Cl)nc2ccccn21 ZINC000078824851 185116275 /nfs/dbraw/zinc/11/62/75/185116275.db2.gz ULPTZJPRLDAZQS-BQYQJAHWSA-N -1 0 321.764 2.324 50 0 DEAARM Cc1c(Br)cccc1C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000088440322 185250783 /nfs/dbraw/zinc/25/07/83/185250783.db2.gz VXXJOLKJSKYTTO-VIFPVBQESA-N -1 0 312.163 2.304 50 0 DEAARM CCOC(=O)[C@](C)(C(=O)[O-])[C@H]1CCc2cc(OC)ccc2C1 ZINC000082048695 192353025 /nfs/dbraw/zinc/35/30/25/192353025.db2.gz NYKDPNQDSCCMMR-GUYCJALGSA-N -1 0 306.358 2.454 50 0 DEAARM COc1ccc(CC(=O)NC[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000095408270 185356773 /nfs/dbraw/zinc/35/67/73/185356773.db2.gz YPNIJKULVSNCFS-MRXNPFEDSA-N -1 0 313.353 2.222 50 0 DEAARM CC(C)c1nn(C)c2sc(C(=O)NC[C@@H](C)C(=O)[O-])cc12 ZINC000097018679 185398052 /nfs/dbraw/zinc/39/80/52/185398052.db2.gz WGGXFBCNSCQGCH-MRVPVSSYSA-N -1 0 309.391 2.209 50 0 DEAARM CCO[C@H]1COC[C@@H]1n1ccnc1-c1ccccc1C(=O)[O-] ZINC000077456650 539363139 /nfs/dbraw/zinc/36/31/39/539363139.db2.gz AFRWGGWXBMIPFV-KBPBESRZSA-N -1 0 302.330 2.225 50 0 DEAARM CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@H]3C(=O)[O-])cc12 ZINC000236624861 201939565 /nfs/dbraw/zinc/93/95/65/201939565.db2.gz QFAOQXIAUDDDCF-JTQLQIEISA-N -1 0 321.402 2.447 50 0 DEAARM Cc1noc(C2CC2)c1[N-]S(=O)(=O)c1cn(C(C)C)cn1 ZINC000126865824 185898940 /nfs/dbraw/zinc/89/89/40/185898940.db2.gz MLGGIEYXBRLXQN-UHFFFAOYSA-N -1 0 310.379 2.439 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000071279649 190951507 /nfs/dbraw/zinc/95/15/07/190951507.db2.gz MCGLCJLHSMOCQN-KGLIPLIRSA-N -1 0 316.357 2.109 50 0 DEAARM O=C([O-])c1cc(-c2cc[nH]n2)c(OC[C@H]2CCCO2)cc1O ZINC000072146532 191052373 /nfs/dbraw/zinc/05/23/73/191052373.db2.gz IWWOWBASVAPEGL-SECBINFHSA-N -1 0 304.302 2.038 50 0 DEAARM COc1ccc(F)cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262841774 186311712 /nfs/dbraw/zinc/31/17/12/186311712.db2.gz DAQPNBJSDXWUGI-NURSFMCSSA-N -1 0 307.321 2.160 50 0 DEAARM CCOCCC(=O)N1CC[C@@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072473867 191177080 /nfs/dbraw/zinc/17/70/80/191177080.db2.gz ANNKPIRNQIQJQD-AWEZNQCLSA-N -1 0 305.374 2.202 50 0 DEAARM COC(=O)c1sccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000000460542 180797822 /nfs/dbraw/zinc/79/78/22/180797822.db2.gz BTUCDCVKKNNAFO-DTWKUNHWSA-N -1 0 311.359 2.364 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000002567672 180935765 /nfs/dbraw/zinc/93/57/65/180935765.db2.gz CYAOPVHXASZUDE-LLVKDONJSA-N -1 0 301.289 2.485 50 0 DEAARM O=C([O-])c1cccc(NC(=O)CNc2ccc(F)cc2)c1O ZINC000004726834 181143280 /nfs/dbraw/zinc/14/32/80/181143280.db2.gz CAJOMVRJOZTCSI-UHFFFAOYSA-N -1 0 304.277 2.280 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(Cl)cc1C(N)=O ZINC000063640216 354651475 /nfs/dbraw/zinc/65/14/75/354651475.db2.gz RCBNNEJHQPLJBM-UHFFFAOYSA-N -1 0 312.753 2.268 50 0 DEAARM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1c[nH]nc1C(C)(C)C ZINC000075093591 355068251 /nfs/dbraw/zinc/06/82/51/355068251.db2.gz SDFWFCCXSOMWGG-UHFFFAOYSA-N -1 0 323.418 2.309 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2n[nH]cc2SC)cc1F ZINC000390833086 540135370 /nfs/dbraw/zinc/13/53/70/540135370.db2.gz BXTWOULVJABEDA-UHFFFAOYSA-N -1 0 317.367 2.080 50 0 DEAARM CC1=C(C)C[C@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@@H](C(=O)[O-])C1 ZINC000005006396 181188878 /nfs/dbraw/zinc/18/88/78/181188878.db2.gz GCDJCSFKJZMGGT-KBPBESRZSA-N -1 0 316.357 2.171 50 0 DEAARM CCN(CC)c1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cn1 ZINC000158491177 355958634 /nfs/dbraw/zinc/95/86/34/355958634.db2.gz YKHIGZNZJVPYSA-ZDUSSCGKSA-N -1 0 305.378 2.007 50 0 DEAARM O=C([O-])CCN(C(=O)c1ccc(Cl)o1)C1CCOCC1 ZINC000238074587 304052174 /nfs/dbraw/zinc/05/21/74/304052174.db2.gz YHYZGROCKMWRES-UHFFFAOYSA-N -1 0 301.726 2.029 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1F ZINC000314441790 356416846 /nfs/dbraw/zinc/41/68/46/356416846.db2.gz IGAZLGYRMBHOPX-HWPRWLFBSA-N -1 0 307.321 2.171 50 0 DEAARM CN(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cn1 ZINC000237115724 202157469 /nfs/dbraw/zinc/15/74/69/202157469.db2.gz QMKXDNFHNVGCOX-XBFCOCLRSA-N -1 0 317.389 2.006 50 0 DEAARM COc1ccccc1C[C@H](C)CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237248661 202204236 /nfs/dbraw/zinc/20/42/36/202204236.db2.gz OUYAGOKFCZVQTC-JSGCOSHPSA-N -1 0 305.374 2.197 50 0 DEAARM O=C([O-])[C@@]1(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCCO1 ZINC000585134451 357336043 /nfs/dbraw/zinc/33/60/43/357336043.db2.gz UKMKZBYOGFVGCA-YJBOKZPZSA-N -1 0 317.385 2.244 50 0 DEAARM COc1cc(C(=O)NC(C)(C)c2cc(C(=O)[O-])on2)ccc1C ZINC000585134172 357336435 /nfs/dbraw/zinc/33/64/35/357336435.db2.gz GORWYFSQIHTCLD-UHFFFAOYSA-N -1 0 318.329 2.355 50 0 DEAARM O=C([O-])CN1N=C(c2ccncc2)C[C@H]1Cc1ccc(F)cc1 ZINC000071863887 304068158 /nfs/dbraw/zinc/06/81/58/304068158.db2.gz VEDAQAUNRQWMQU-OAHLLOKOSA-N -1 0 313.332 2.326 50 0 DEAARM Cc1cccc(CC(=O)N(CCC(=O)[O-])C2CCOCC2)c1 ZINC000237621858 202307736 /nfs/dbraw/zinc/30/77/36/202307736.db2.gz KYOZKCVZWSNHND-UHFFFAOYSA-N -1 0 305.374 2.020 50 0 DEAARM Cc1ccc(-c2ocnc2C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000237697967 202332419 /nfs/dbraw/zinc/33/24/19/202332419.db2.gz RUILDGMSLFIQGF-LBPRGKRZSA-N -1 0 300.314 2.197 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1ncc2ccccc21 ZINC000237930608 202394294 /nfs/dbraw/zinc/39/42/94/202394294.db2.gz HSASRGAWTXMRMY-AWEZNQCLSA-N -1 0 315.373 2.282 50 0 DEAARM COc1cc2c(cc1OC)N(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C2 ZINC000669371700 540823309 /nfs/dbraw/zinc/82/33/09/540823309.db2.gz RJGVYAHILLZQPV-LLVKDONJSA-N -1 0 323.345 2.455 50 0 DEAARM Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)[O-])cc2)c1 ZINC000006553315 181354293 /nfs/dbraw/zinc/35/42/93/181354293.db2.gz YWGFYMOQZILPCJ-UHFFFAOYSA-N -1 0 321.354 2.259 50 0 DEAARM C[C@H](NC(=O)c1noc2c1CCCC2)c1ncc(C(=O)[O-])s1 ZINC000621608990 364473888 /nfs/dbraw/zinc/47/38/88/364473888.db2.gz CSRIUVVAHFZVHF-ZETCQYMHSA-N -1 0 321.358 2.199 50 0 DEAARM CCCc1cc(C(=O)N2CCc3c(cccc3C(=O)[O-])C2)[nH]n1 ZINC000621578855 364461928 /nfs/dbraw/zinc/46/19/28/364461928.db2.gz LJGVTBHOBKEMLT-UHFFFAOYSA-N -1 0 313.357 2.259 50 0 DEAARM CN(CC(=O)[O-])S(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000006697445 181371612 /nfs/dbraw/zinc/37/16/12/181371612.db2.gz RLKGYJGPSAVZSR-UHFFFAOYSA-N -1 0 321.354 2.184 50 0 DEAARM Cc1c([C@@H](C)NC(=O)c2cc(=O)[nH][n-]2)cnn1-c1ccccc1 ZINC000091593680 193076570 /nfs/dbraw/zinc/07/65/70/193076570.db2.gz RCRNETDTJLPVKY-SNVBAGLBSA-N -1 0 311.345 2.100 50 0 DEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2cccs2)C1 ZINC000091876573 193121973 /nfs/dbraw/zinc/12/19/73/193121973.db2.gz JHIUZGKFBUBCNI-HNNXBMFYSA-N -1 0 311.403 2.021 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCC1CCOCC1 ZINC000299752621 304146631 /nfs/dbraw/zinc/14/66/31/304146631.db2.gz UUJRAQPEENIXSA-ILXRZTDVSA-N -1 0 309.406 2.438 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cnn2ccccc12 ZINC000261931088 304147819 /nfs/dbraw/zinc/14/78/19/304147819.db2.gz STJWGGMKNWNBCE-ZLDLUXBVSA-N -1 0 313.357 2.192 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2cc(-c3ccco3)n[nH]2)CC1 ZINC000261956459 203160606 /nfs/dbraw/zinc/16/06/06/203160606.db2.gz ADOYWVLTDVZQBQ-UHFFFAOYSA-N -1 0 303.318 2.043 50 0 DEAARM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262227194 203234004 /nfs/dbraw/zinc/23/40/04/203234004.db2.gz XVXMWMQGZCQPSE-WDEREUQCSA-N -1 0 317.263 2.264 50 0 DEAARM CN(Cc1cccc(OC(F)(F)F)c1)C(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000262227190 203234355 /nfs/dbraw/zinc/23/43/55/203234355.db2.gz XVXMWMQGZCQPSE-MNOVXSKESA-N -1 0 317.263 2.264 50 0 DEAARM CCN(CCC(=O)[O-])C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000262399131 203282906 /nfs/dbraw/zinc/28/29/06/203282906.db2.gz LZTRSPLGWVDIIP-HNNXBMFYSA-N -1 0 321.373 2.181 50 0 DEAARM COCc1ccc(S(=O)(=O)[N-]c2nccc(C3CC3)n2)cc1 ZINC000530157807 284352371 /nfs/dbraw/zinc/35/23/71/284352371.db2.gz VBFBSOOZBAMNRS-UHFFFAOYSA-N -1 0 319.386 2.301 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1ccc(Br)o1 ZINC000022176672 182311965 /nfs/dbraw/zinc/31/19/65/182311965.db2.gz VIKZZSZCRFHHEP-SSDOTTSWSA-N -1 0 302.124 2.121 50 0 DEAARM CCn1c2ccccc2c([O-])c(C(=O)NCc2cccnc2)c1=O ZINC000100504451 193800774 /nfs/dbraw/zinc/80/07/74/193800774.db2.gz RVBCZKULBWPCRX-UHFFFAOYSA-N -1 0 323.352 2.052 50 0 DEAARM CC(C)Oc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000101347767 193811079 /nfs/dbraw/zinc/81/10/79/193811079.db2.gz FONBREZULKGBLS-CYBMUJFWSA-N -1 0 300.318 2.049 50 0 DEAARM CCCC[S@@](=N)(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000038528824 183001687 /nfs/dbraw/zinc/00/16/87/183001687.db2.gz IIJKAKPMCGGPSE-CHNSCGDPSA-N -1 0 322.427 2.201 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000492590599 249095760 /nfs/dbraw/zinc/09/57/60/249095760.db2.gz LHPCZGNUMZFQFE-FWPCIQOSSA-N -1 0 319.357 2.040 50 0 DEAARM Cc1sc(N2C[C@H](C(=O)[O-])CC2=O)nc1Cc1ccccc1 ZINC000044979137 183472724 /nfs/dbraw/zinc/47/27/24/183472724.db2.gz ZXFONRWWWOTCPK-GFCCVEGCSA-N -1 0 316.382 2.480 50 0 DEAARM CC(C)c1ncc(Cl)c(C(=O)NC2(C(=O)[O-])CCCC2)n1 ZINC000050364137 183782845 /nfs/dbraw/zinc/78/28/45/183782845.db2.gz GQXXPYYQANJXTP-UHFFFAOYSA-N -1 0 311.769 2.381 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CCOc3ccccc32)o1 ZINC000268901584 207069665 /nfs/dbraw/zinc/06/96/65/207069665.db2.gz FWDFBVNEXRJVQU-GFCCVEGCSA-N -1 0 301.298 2.160 50 0 DEAARM Cc1cc2c(cc1C)O[C@@H](C(=O)NC1CCC(C(=O)[O-])CC1)C2 ZINC000268932770 207098013 /nfs/dbraw/zinc/09/80/13/207098013.db2.gz KXCOZSUXQYPNAP-LDZOIKDWSA-N -1 0 317.385 2.367 50 0 DEAARM COc1cccc(NCc2nn(Cc3ccccc3)c(=O)[n-]2)c1 ZINC000061717509 184184669 /nfs/dbraw/zinc/18/46/69/184184669.db2.gz OPYXGEMNQQTAQJ-UHFFFAOYSA-N -1 0 310.357 2.240 50 0 DEAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2cc(Cl)cc(Cl)c2)C1 ZINC000062119896 184206987 /nfs/dbraw/zinc/20/69/87/184206987.db2.gz IZKBDEXRBDRFOM-ZETCQYMHSA-N -1 0 324.185 2.089 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2ccccc2Br)C1 ZINC000062912613 184259369 /nfs/dbraw/zinc/25/93/69/184259369.db2.gz GCPAOWAUHHMEHR-ZDUSSCGKSA-N -1 0 312.163 2.386 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)COc2ccc(F)cc2Cl)C1 ZINC000062913487 184259498 /nfs/dbraw/zinc/25/94/98/184259498.db2.gz NUOWDRMHKJNKAR-AWEZNQCLSA-N -1 0 315.728 2.181 50 0 DEAARM O=C([N-]O[C@H]1CCCCO1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000065475248 184351935 /nfs/dbraw/zinc/35/19/35/184351935.db2.gz WLLPAAYBYIWUPA-GJZGRUSLSA-N -1 0 324.421 2.132 50 0 DEAARM O=C([O-])c1ccc(N2CCO[C@H](c3ccc(F)cc3)C2)nc1 ZINC000071747359 304246643 /nfs/dbraw/zinc/24/66/43/304246643.db2.gz WRZLRVWVRVQDTR-AWEZNQCLSA-N -1 0 302.305 2.497 50 0 DEAARM C[C@H](CN(C(=O)[C@H]1OCCc2ccccc21)C1CC1)C(=O)[O-] ZINC000237616539 256600356 /nfs/dbraw/zinc/60/03/56/256600356.db2.gz BMBMFYJPEWHBDO-ABAIWWIYSA-N -1 0 303.358 2.012 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000071281252 257253725 /nfs/dbraw/zinc/25/37/25/257253725.db2.gz RKNRVAYXBWCGRA-KBPBESRZSA-N -1 0 313.357 2.227 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@H]2c2ccc(F)cc2F)C1 ZINC000268937740 257256703 /nfs/dbraw/zinc/25/67/03/257256703.db2.gz CRVSCPBXJQHLSB-MKBNYLNASA-N -1 0 309.312 2.392 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@H]1C(=O)[O-])c1nc2ccccc2[nH]1 ZINC000252485822 257258528 /nfs/dbraw/zinc/25/85/28/257258528.db2.gz ATVGIRGKQLBYCX-OXIWPEFWSA-N -1 0 315.373 2.487 50 0 DEAARM COc1cc(C(=O)N(CCC(=O)[O-])C2CCOCC2)ccc1C ZINC000328595380 533512747 /nfs/dbraw/zinc/51/27/47/533512747.db2.gz SQGFYFQNBVZXPI-UHFFFAOYSA-N -1 0 321.373 2.100 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc2c(c1)CCO2 ZINC000262255704 145272007 /nfs/dbraw/zinc/27/20/07/145272007.db2.gz STBKYHVLKBXSHX-HNNXBMFYSA-N -1 0 317.385 2.410 50 0 DEAARM CC(C)Oc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])n1 ZINC000262932457 145312482 /nfs/dbraw/zinc/31/24/82/145312482.db2.gz KDAKJPUXCZQPKV-SLEUVZQESA-N -1 0 318.373 2.194 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2cc(Cl)ccc2OC)cn1 ZINC000006727072 401732274 /nfs/dbraw/zinc/73/22/74/401732274.db2.gz IBIIIYXAUFYGHW-UHFFFAOYSA-N -1 0 315.782 2.366 50 0 DEAARM O=C([O-])CNC(=S)N(Cc1ccccc1)Cc1cccnc1 ZINC000000266563 401692946 /nfs/dbraw/zinc/69/29/46/401692946.db2.gz WMDILDCVCVZUMV-UHFFFAOYSA-N -1 0 315.398 2.043 50 0 DEAARM O=C([O-])CCc1nc2c3c4c(sc3ncn2n1)CCCC4 ZINC000000527894 401700081 /nfs/dbraw/zinc/70/00/81/401700081.db2.gz MUCZAMRCPAQMJF-UHFFFAOYSA-N -1 0 302.359 2.235 50 0 DEAARM Nn1c(SCc2ccc(C(=O)[O-])cc2)nnc1-c1ccco1 ZINC000000529975 401700092 /nfs/dbraw/zinc/70/00/92/401700092.db2.gz ATUMFASQAINALM-UHFFFAOYSA-N -1 0 316.342 2.242 50 0 DEAARM O=C([N-][C@@H]1C(=O)Nc2ccc(Br)cc21)C(F)(F)F ZINC000000547133 401700612 /nfs/dbraw/zinc/70/06/12/401700612.db2.gz GWICUKVBLVFIRD-ZETCQYMHSA-N -1 0 323.068 2.121 50 0 DEAARM O=C(Nc1ccncc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001239725 401704417 /nfs/dbraw/zinc/70/44/17/401704417.db2.gz JJWJJIKITDAIQN-UHFFFAOYSA-N -1 0 321.336 2.301 50 0 DEAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)Nc1ccccc1 ZINC000001095635 401704533 /nfs/dbraw/zinc/70/45/33/401704533.db2.gz RBZBYAASZSNZCI-AWEZNQCLSA-N -1 0 300.314 2.210 50 0 DEAARM O=C([N-]S(=O)(=O)c1ccccc1)c1cccc2cccnc21 ZINC000001418668 401707046 /nfs/dbraw/zinc/70/70/46/401707046.db2.gz RDQZNGMAWKVMRG-UHFFFAOYSA-N -1 0 312.350 2.354 50 0 DEAARM O=C([O-])CCN1C(=O)S[C@@H](Nc2ccc(Cl)cc2)C1=O ZINC000001858076 401710853 /nfs/dbraw/zinc/71/08/53/401710853.db2.gz AYBCGDRCUYIRES-SNVBAGLBSA-N -1 0 314.750 2.248 50 0 DEAARM O=C([O-])CSCC(=O)NCc1ccc(Cl)c(Cl)c1 ZINC000002557492 401714920 /nfs/dbraw/zinc/71/49/20/401714920.db2.gz ITWLFUJNMBUDKS-UHFFFAOYSA-N -1 0 308.186 2.427 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=S)NCc1ccccc1 ZINC000002771266 401718160 /nfs/dbraw/zinc/71/81/60/401718160.db2.gz OWZZWJPTZUBSRZ-HNNXBMFYSA-N -1 0 314.410 2.347 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(Br)s2)C1 ZINC000013170783 401797842 /nfs/dbraw/zinc/79/78/42/401797842.db2.gz LHVUEGJJBOICSX-ZETCQYMHSA-N -1 0 318.192 2.447 50 0 DEAARM COc1ccc(CNC(=O)Cc2cccc(F)c2)cc1C(=O)[O-] ZINC000013392580 401799419 /nfs/dbraw/zinc/79/94/19/401799419.db2.gz LNAZUYHBCFPZBK-UHFFFAOYSA-N -1 0 317.316 2.391 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)COc2cccc(F)c2)cc1 ZINC000013442728 401799862 /nfs/dbraw/zinc/79/98/62/401799862.db2.gz RNLNNDRNCIJDLU-UHFFFAOYSA-N -1 0 317.316 2.262 50 0 DEAARM CCOc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)cn1 ZINC000075572671 401762928 /nfs/dbraw/zinc/76/29/28/401762928.db2.gz KDVCKGQSMVWOSC-AWEZNQCLSA-N -1 0 314.341 2.426 50 0 DEAARM Cn1c2ccc(Cl)cc2nc1[N-]S(=O)(=O)c1cccnc1 ZINC000078612476 401858659 /nfs/dbraw/zinc/85/86/59/401858659.db2.gz PUWKEOTYYUPVEV-UHFFFAOYSA-N -1 0 322.777 2.423 50 0 DEAARM Cc1cc(O)c(C(=O)[O-])cc1S(=O)(=O)N(C)c1ccccc1 ZINC000031665284 401872924 /nfs/dbraw/zinc/87/29/24/401872924.db2.gz FCUYBDWLZNYDHX-UHFFFAOYSA-N -1 0 321.354 2.224 50 0 DEAARM CCc1noc(C)c1C(=O)OCc1nc(=O)c2sccc2[n-]1 ZINC000032724322 401881772 /nfs/dbraw/zinc/88/17/72/401881772.db2.gz FLKCIGWOTCVKTR-UHFFFAOYSA-N -1 0 319.342 2.200 50 0 DEAARM COCC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)[O-])cc1 ZINC000032772035 401882502 /nfs/dbraw/zinc/88/25/02/401882502.db2.gz MJEOEOCWORXASC-UHFFFAOYSA-N -1 0 322.361 2.101 50 0 DEAARM Cc1nn(-c2ccc(C)cc2)c2c1c(C)cc(=O)n2CC(=O)[O-] ZINC000032916912 401886138 /nfs/dbraw/zinc/88/61/38/401886138.db2.gz HKLAVRMIDPGHCT-UHFFFAOYSA-N -1 0 311.341 2.197 50 0 DEAARM Cc1[nH]c2ccccc2c1[C@@H](C(=O)[O-])[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035105644 401895369 /nfs/dbraw/zinc/89/53/69/401895369.db2.gz WKHDPFOTIHCPEB-NHYWBVRUSA-N -1 0 316.357 2.399 50 0 DEAARM O=C([O-])c1ccccc1CC(=O)Nc1cccc(-n2cnnc2)c1 ZINC000044980534 401952828 /nfs/dbraw/zinc/95/28/28/401952828.db2.gz QJWDOIOMECCRRF-UHFFFAOYSA-N -1 0 322.324 2.147 50 0 DEAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)C1CCCC1 ZINC000151194845 402022548 /nfs/dbraw/zinc/02/25/48/402022548.db2.gz OUAQFLTWROOSRE-OAHLLOKOSA-N -1 0 323.414 2.079 50 0 DEAARM COc1ccc([C@H](C(=O)[O-])N(C)Cc2nc(C)c[nH]2)c(C)c1 ZINC000095372239 402029052 /nfs/dbraw/zinc/02/90/52/402029052.db2.gz AQPAMNKTLMIPHD-OAHLLOKOSA-N -1 0 303.362 2.293 50 0 DEAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2nc(C)c[nH]2)c(C)c1 ZINC000095372238 402029253 /nfs/dbraw/zinc/02/92/53/402029253.db2.gz AQPAMNKTLMIPHD-HNNXBMFYSA-N -1 0 303.362 2.293 50 0 DEAARM CSc1ccc([C@@H](C(=O)[O-])N(C)Cc2nnc(C)o2)cc1 ZINC000095388232 402031940 /nfs/dbraw/zinc/03/19/40/402031940.db2.gz DWRNIJIAKGQCKS-ZDUSSCGKSA-N -1 0 307.375 2.358 50 0 DEAARM CC(C)(NC(=O)CCc1ccccc1OC(F)(F)F)C(=O)[O-] ZINC000095424420 402032387 /nfs/dbraw/zinc/03/23/87/402032387.db2.gz AVULPYBCJLMELG-UHFFFAOYSA-N -1 0 319.279 2.497 50 0 DEAARM C[C@H](OC1CCCCCC1)C(=O)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000095976992 402040596 /nfs/dbraw/zinc/04/05/96/402040596.db2.gz KWTJAQQGHVISAR-QWHCGFSZSA-N -1 0 321.425 2.034 50 0 DEAARM COc1cc(/C=C\C(=O)[O-])ccc1OCc1ccn(C)c(=O)c1 ZINC000096291532 402076228 /nfs/dbraw/zinc/07/62/28/402076228.db2.gz QBGCTGKXIONPRD-XQRVVYSFSA-N -1 0 315.325 2.071 50 0 DEAARM CCCCNC(=O)CN(C)[C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055414482 402081851 /nfs/dbraw/zinc/08/18/51/402081851.db2.gz SLCLVPWHHSRKRN-OAHLLOKOSA-N -1 0 310.369 2.108 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccncc2)[C@@H]1C(=O)[O-] ZINC000096675782 402099476 /nfs/dbraw/zinc/09/94/76/402099476.db2.gz IDUXXYDWGCYHLJ-CHWSQXEVSA-N -1 0 306.362 2.334 50 0 DEAARM Cc1nn(C)cc1CCC(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000097036145 402100947 /nfs/dbraw/zinc/10/09/47/402100947.db2.gz PJVWFBZQSGDHSI-UHFFFAOYSA-N -1 0 305.309 2.137 50 0 DEAARM CCc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2)nc(C)n1 ZINC000097048804 402102795 /nfs/dbraw/zinc/10/27/95/402102795.db2.gz OTLWAZLYQLAFBP-UHFFFAOYSA-N -1 0 313.329 2.426 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2oc(=O)ccc2c1 ZINC000054294191 402066070 /nfs/dbraw/zinc/06/60/70/402066070.db2.gz NIPCADZBJYVVAY-UHFFFAOYSA-N -1 0 320.326 2.199 50 0 DEAARM Cn1c(C(=O)NCc2nc(C(=O)[O-])cs2)cc2ccccc21 ZINC000124161050 402166755 /nfs/dbraw/zinc/16/67/55/402166755.db2.gz SMPPLYMKZJEKMT-UHFFFAOYSA-N -1 0 315.354 2.263 50 0 DEAARM O=C([O-])C1(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)CC1 ZINC000154864180 402236463 /nfs/dbraw/zinc/23/64/63/402236463.db2.gz ITPUAGHUNKERMP-LBPRGKRZSA-N -1 0 309.749 2.105 50 0 DEAARM Cc1ccc(Cl)cc1S(=O)(=O)[N-]c1cnc2ccnn2c1 ZINC000225575912 402321385 /nfs/dbraw/zinc/32/13/85/402321385.db2.gz GNIWPXMIIOHOAJ-UHFFFAOYSA-N -1 0 322.777 2.492 50 0 DEAARM CCOCc1cccc(S(=O)(=O)[N-]c2ccn(CC)n2)c1 ZINC000071195458 402271575 /nfs/dbraw/zinc/27/15/75/402271575.db2.gz WOCHJYJPZRKTQW-UHFFFAOYSA-N -1 0 309.391 2.240 50 0 DEAARM C[C@H](c1n[nH]c(=O)[n-]1)n1ccnc1-c1ccnn1-c1ccccc1 ZINC000071388604 402273573 /nfs/dbraw/zinc/27/35/73/402273573.db2.gz FWLDCWFGORDRCX-LLVKDONJSA-N -1 0 321.344 2.169 50 0 DEAARM O=C([O-])CC1(NC(=O)[C@H](O)c2ccccc2F)CCCCC1 ZINC000223935824 402313101 /nfs/dbraw/zinc/31/31/01/402313101.db2.gz WDMAWTWYLGCWCX-CQSZACIVSA-N -1 0 309.337 2.153 50 0 DEAARM CN(C)C(=O)CCCC(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000160741174 402359120 /nfs/dbraw/zinc/35/91/20/402359120.db2.gz UQCNDPXHFFWQOI-UHFFFAOYSA-N -1 0 307.375 2.314 50 0 DEAARM CC(C)c1nn(C)c2sc(C(=O)N3CCC[C@@H]3C(=O)[O-])cc12 ZINC000236624581 402369322 /nfs/dbraw/zinc/36/93/22/402369322.db2.gz QFAOQXIAUDDDCF-SNVBAGLBSA-N -1 0 321.402 2.447 50 0 DEAARM Cc1ccc([C@@H](NC(=O)CN2CCC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000237889484 402424441 /nfs/dbraw/zinc/42/44/41/402424441.db2.gz ALPXXHDRXFFLLF-DOTOQJQBSA-N -1 0 316.401 2.111 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)C1 ZINC000238097312 402437628 /nfs/dbraw/zinc/43/76/28/402437628.db2.gz PTDZKPVAHIKBAG-JTQLQIEISA-N -1 0 319.748 2.277 50 0 DEAARM O=C([O-])[C@H]1CCCN1Cc1noc(-c2cccc(Cl)c2)n1 ZINC000238103240 402437839 /nfs/dbraw/zinc/43/78/39/402437839.db2.gz SYHVHUHAIFPWNP-LLVKDONJSA-N -1 0 307.737 2.439 50 0 DEAARM O=C([O-])C1CCN(C(=O)CCCOc2ccc(F)cc2)CC1 ZINC000238101025 402437913 /nfs/dbraw/zinc/43/79/13/402437913.db2.gz LWTXHYLCCRRKGW-UHFFFAOYSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)cc1 ZINC000238119710 402438338 /nfs/dbraw/zinc/43/83/38/402438338.db2.gz RRLVJXLVBSAUKE-HNNXBMFYSA-N -1 0 315.300 2.144 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3ccc(Cl)cc3[nH]2)CCO1 ZINC000238198489 402440807 /nfs/dbraw/zinc/44/08/07/402440807.db2.gz GLPWKVOSLSWKIQ-LLVKDONJSA-N -1 0 322.748 2.137 50 0 DEAARM CO[C@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000239475398 402441874 /nfs/dbraw/zinc/44/18/74/402441874.db2.gz AOBAYGWBUYYXCG-CVEARBPZSA-N -1 0 313.353 2.359 50 0 DEAARM C[C@@H](CNC(=O)c1n[n-]c(=S)s1)N(C)c1ccccc1 ZINC000241630920 402443380 /nfs/dbraw/zinc/44/33/80/402443380.db2.gz PMOHDVQODCDLTH-VIFPVBQESA-N -1 0 308.432 2.082 50 0 DEAARM CC[C@@H](C)N(CC(=O)[O-])C(=O)[C@@H](C)N1CCc2ccccc2C1 ZINC000237043556 402392742 /nfs/dbraw/zinc/39/27/42/402392742.db2.gz LDBIDFFRPDWEID-ZIAGYGMSSA-N -1 0 318.417 2.145 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 ZINC000178273037 402478898 /nfs/dbraw/zinc/47/88/98/402478898.db2.gz OKENLGWCFAIWJX-LLVKDONJSA-N -1 0 304.371 2.145 50 0 DEAARM CCc1nnc([N-]S(=O)(=O)Cc2ccc(C)c(F)c2)s1 ZINC000170597443 402506761 /nfs/dbraw/zinc/50/67/61/402506761.db2.gz XCSAWBYALIOPLY-UHFFFAOYSA-N -1 0 315.395 2.490 50 0 DEAARM Cn1cc(C(=O)[O-])c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 ZINC000170620065 402507767 /nfs/dbraw/zinc/50/77/67/402507767.db2.gz FQZANOCLESEKCT-SNVBAGLBSA-N -1 0 309.366 2.233 50 0 DEAARM Cc1occc1S([O-])=CC(=O)N1CCc2ccccc2C1 ZINC000189653771 402550064 /nfs/dbraw/zinc/55/00/64/402550064.db2.gz WYWXNYWGXPJYIY-NRFANRHFSA-N -1 0 303.383 2.281 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1ccc2c(c1)N=S=N2)[C@H]1CCCOC1 ZINC000262845280 402735327 /nfs/dbraw/zinc/73/53/27/402735327.db2.gz SPXVWJNSXPTPLF-CABZTGNLSA-N -1 0 321.358 2.023 50 0 DEAARM C[C@@H](NC(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000262988452 402739537 /nfs/dbraw/zinc/73/95/37/402739537.db2.gz PZJIEUDKGUCDSE-NEPJUHHUSA-N -1 0 316.357 2.184 50 0 DEAARM CCO[C@H](C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-])c1ccccc1 ZINC000263188782 402746861 /nfs/dbraw/zinc/74/68/61/402746861.db2.gz IGNJFTATEIXNSV-JONQDZQNSA-N -1 0 317.385 2.476 50 0 DEAARM Cc1nc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)c(C)s1 ZINC000193013513 402761027 /nfs/dbraw/zinc/76/10/27/402761027.db2.gz LECXWCURTLBODR-UHFFFAOYSA-N -1 0 308.363 2.028 50 0 DEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1ccc2n[nH]cc2c1 ZINC000324648763 404101885 /nfs/dbraw/zinc/10/18/85/404101885.db2.gz YZUDGUHCRIZMKT-INIZCTEOSA-N -1 0 321.336 2.387 50 0 DEAARM Cc1cccc(N2CC[C@H](CNC(=O)CCCC(=O)[O-])C2)c1 ZINC000426465197 405361550 /nfs/dbraw/zinc/36/15/50/405361550.db2.gz MQVPRUGBUZURRM-CQSZACIVSA-N -1 0 304.390 2.192 50 0 DEAARM COc1cc(C(=O)[O-])cc(C(=O)N(C)CC[C@H]2CCCCO2)c1 ZINC000426513514 405366244 /nfs/dbraw/zinc/36/62/44/405366244.db2.gz CQMZHAQGHJBASN-CQSZACIVSA-N -1 0 321.373 2.425 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CN1Cc2ccccc2C1 ZINC000426550642 405368253 /nfs/dbraw/zinc/36/82/53/405368253.db2.gz PFGYSAYQNQNCAR-MRXNPFEDSA-N -1 0 316.401 2.248 50 0 DEAARM CC(C)[C@@H](CC(=O)[O-])NC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000426624774 405371319 /nfs/dbraw/zinc/37/13/19/405371319.db2.gz NXOHBLDRNXRGRX-GFCCVEGCSA-N -1 0 324.425 2.348 50 0 DEAARM CC(C)Oc1ccccc1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000136504260 196539871 /nfs/dbraw/zinc/53/98/71/196539871.db2.gz GVIPEARIGXBWBV-AWEZNQCLSA-N -1 0 305.374 2.482 50 0 DEAARM O=C([O-])[C@@H]1CCCN1Cc1nc(-c2ccc(F)c(F)c2)no1 ZINC000262615872 225279238 /nfs/dbraw/zinc/27/92/38/225279238.db2.gz CSBMJIKJOVUDOB-NSHDSACASA-N -1 0 309.272 2.064 50 0 DEAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCc1ccccc1 ZINC000102387548 424847747 /nfs/dbraw/zinc/84/77/47/424847747.db2.gz LEGDVMXLPVDLSV-INIZCTEOSA-N -1 0 307.353 2.342 50 0 DEAARM Cc1nscc1C(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000653329464 425462899 /nfs/dbraw/zinc/46/28/99/425462899.db2.gz WVIJYFGJTKSRSC-YPMHNXCESA-N -1 0 302.355 2.495 50 0 DEAARM Cc1noc(C)c1CC(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653334199 425464059 /nfs/dbraw/zinc/46/40/59/425464059.db2.gz YLVZTXSRFWVZRO-GJZGRUSLSA-N -1 0 314.341 2.263 50 0 DEAARM Cc1cc(C)n2ncc(C(=O)Nc3cccc(C(=O)[O-])c3)c2n1 ZINC000015830155 301260133 /nfs/dbraw/zinc/26/01/33/301260133.db2.gz KMFYTDUIRGLPKQ-UHFFFAOYSA-N -1 0 310.313 2.297 50 0 DEAARM CC(=O)N[C@H](Cc1ccc(-c2ccncc2F)cc1)C(=O)[O-] ZINC000534670087 334320008 /nfs/dbraw/zinc/32/00/08/334320008.db2.gz KZGLLFOOVDJHTA-OAHLLOKOSA-N -1 0 302.305 2.020 50 0 DEAARM CS(=O)(=O)[N-][C@H](c1ccccc1OC(F)F)C(F)(F)F ZINC000097233634 337382405 /nfs/dbraw/zinc/38/24/05/337382405.db2.gz LUMCOBDKNXJRQJ-MRVPVSSYSA-N -1 0 319.251 2.441 50 0 DEAARM CCn1cc(C(=O)N[C@H](CC(F)F)C(=O)[O-])c2ccccc21 ZINC000262952806 523342722 /nfs/dbraw/zinc/34/27/22/523342722.db2.gz IOPMSMZBBBQSQN-LLVKDONJSA-N -1 0 310.300 2.499 50 0 DEAARM Cc1csc([C@@H](NC(=O)c2ccnc(C(=O)[O-])c2)C2CC2)n1 ZINC000237655620 526415818 /nfs/dbraw/zinc/41/58/18/526415818.db2.gz PQQALROBUABJTQ-LBPRGKRZSA-N -1 0 317.370 2.426 50 0 DEAARM CCO[C@@H]1C[C@@](NC(=O)[C@H]2Cc3ccccc32)(C(=O)[O-])C1(C)C ZINC000262849037 535444299 /nfs/dbraw/zinc/44/42/99/535444299.db2.gz WIDODNVLURNBDI-PMUMKWKESA-N -1 0 317.385 2.101 50 0 DEAARM Cc1ccc(C(=O)NC2CC2)cc1NC(=O)CC(C)(C)C(=O)[O-] ZINC000169987562 563902229 /nfs/dbraw/zinc/90/22/29/563902229.db2.gz AZTUBMXSLXOHGO-UHFFFAOYSA-N -1 0 318.373 2.327 50 0 DEAARM CCCC(=O)N1CCC[C@@H]1C(=O)Nc1cc(C(=O)[O-])cs1 ZINC000191382137 602184880 /nfs/dbraw/zinc/18/48/80/602184880.db2.gz QQMVJBXSSHIIJE-SNVBAGLBSA-N -1 0 310.375 2.176 50 0 DEAARM CCOc1nn(C)c2ccc(NC(=O)C[C@@H](C)CC(=O)[O-])cc12 ZINC000675028405 778341045 /nfs/dbraw/zinc/34/10/45/778341045.db2.gz SGWHUINUYNJFHC-SNVBAGLBSA-N -1 0 319.361 2.411 50 0 DEAARM COc1ccccc1C1CCN(C(=O)N[C@H](C)C(=O)[O-])CC1 ZINC000824810213 783606821 /nfs/dbraw/zinc/60/68/21/783606821.db2.gz VNZWDXIPMNWSGX-LLVKDONJSA-N -1 0 306.362 2.057 50 0 DEAARM CC[C@](C)(CC(=O)[O-])CC(=O)Nc1ccccc1C(=O)NC ZINC000006847386 190624292 /nfs/dbraw/zinc/62/42/92/190624292.db2.gz OQGJRCLAPSDTFZ-INIZCTEOSA-N -1 0 306.362 2.266 50 0 DEAARM CC(C)C[C@@H](NC(=O)c1cc(-c2ccccc2O)n[nH]1)C(=O)[O-] ZINC000095390095 185351136 /nfs/dbraw/zinc/35/11/36/185351136.db2.gz WPNIVJXPVTWLIF-CYBMUJFWSA-N -1 0 317.345 2.011 50 0 DEAARM O=C([O-])CC1(NC(=O)[C@@H]2CCCc3ccccc32)CCOCC1 ZINC000095424856 185361445 /nfs/dbraw/zinc/36/14/45/185361445.db2.gz WLQHTDIITODLQH-OAHLLOKOSA-N -1 0 317.385 2.247 50 0 DEAARM C[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)[S@](C)=O ZINC000095436819 185365311 /nfs/dbraw/zinc/36/53/11/185365311.db2.gz YZHYPUJYUBJDRO-FWCARGHBSA-N -1 0 310.202 2.196 50 0 DEAARM Cn1nc(C(C)(C)C)cc1C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000097018454 185397748 /nfs/dbraw/zinc/39/77/48/185397748.db2.gz MOQJZTXYNZCWNE-UHFFFAOYSA-N -1 0 315.373 2.346 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1coc(-c2ccccc2)n1 ZINC000097017575 185397830 /nfs/dbraw/zinc/39/78/30/185397830.db2.gz XQPCINKYQDABGC-CYBMUJFWSA-N -1 0 300.314 2.421 50 0 DEAARM O=C([O-])[C@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC1 ZINC000054502541 539342381 /nfs/dbraw/zinc/34/23/81/539342381.db2.gz PYTPLEIYAIBZCH-CYBMUJFWSA-N -1 0 307.733 2.095 50 0 DEAARM CC(C)c1nc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)cs1 ZINC000091593988 539420834 /nfs/dbraw/zinc/42/08/34/539420834.db2.gz NUBNTXWCXNBACK-WDEREUQCSA-N -1 0 308.403 2.449 50 0 DEAARM O=C([O-])C[C@H](CC(=O)NC1CCC(O)CC1)c1ccccc1 ZINC000226750306 201785468 /nfs/dbraw/zinc/78/54/68/201785468.db2.gz NQNAHSGGCAFXLQ-NFOMZHRRSA-N -1 0 305.374 2.055 50 0 DEAARM Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000236598139 201931836 /nfs/dbraw/zinc/93/18/36/201931836.db2.gz USBSVENCEVCGSG-AWEZNQCLSA-N -1 0 321.421 2.022 50 0 DEAARM CC(C)NC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071284772 190952304 /nfs/dbraw/zinc/95/23/04/190952304.db2.gz CLBWDIBTXNZZHX-OLZOCXBDSA-N -1 0 318.373 2.120 50 0 DEAARM CCOC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000031440 180671839 /nfs/dbraw/zinc/67/18/39/180671839.db2.gz ZQZLCDQFTKBVQQ-VXGBXAGGSA-N -1 0 317.341 2.469 50 0 DEAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)N1CCCCCCC1 ZINC000320269288 539895350 /nfs/dbraw/zinc/89/53/50/539895350.db2.gz SWTKHPBWDCNNQA-HNNXBMFYSA-N -1 0 320.389 2.364 50 0 DEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)Cc1ccccc1 ZINC000000304099 180753526 /nfs/dbraw/zinc/75/35/26/180753526.db2.gz FPHLABLGSRDSLV-UHFFFAOYSA-N -1 0 305.355 2.415 50 0 DEAARM COC(=O)c1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000473743 180802271 /nfs/dbraw/zinc/80/22/71/180802271.db2.gz RBYLPSAYGSXZIO-GHMZBOCLSA-N -1 0 303.314 2.079 50 0 DEAARM C[C@H](Sc1cnn(-c2ccccc2)c(=O)c1Cl)C(=O)[O-] ZINC000006182881 353995061 /nfs/dbraw/zinc/99/50/61/353995061.db2.gz QCDOFVSHIXXUSS-QMMMGPOBSA-N -1 0 310.762 2.451 50 0 DEAARM COc1ccc(-c2cc3ncn(CC(=O)[O-])c(=O)c3s2)cc1 ZINC000004218491 181085439 /nfs/dbraw/zinc/08/54/39/181085439.db2.gz CVEMZYIRIIYTNZ-UHFFFAOYSA-N -1 0 316.338 2.218 50 0 DEAARM Cc1cc(C)c(C(=O)N2CCOCC2)c(CC(C)(C)C(=O)[O-])c1 ZINC000004322701 181098165 /nfs/dbraw/zinc/09/81/65/181098165.db2.gz VXBDLZCHWKAEMS-UHFFFAOYSA-N -1 0 319.401 2.429 50 0 DEAARM CC(C)[C@H](NC(=O)COc1ccc2ccccc2c1)C(=O)[O-] ZINC000004651283 181132109 /nfs/dbraw/zinc/13/21/09/181132109.db2.gz OECCRBLAEQHQRQ-INIZCTEOSA-N -1 0 301.342 2.444 50 0 DEAARM O=c1nc(CSc2nnc3ccccn32)[n-]c2ccsc21 ZINC000004830454 181158693 /nfs/dbraw/zinc/15/86/93/181158693.db2.gz DDXGIAPDHSULLU-UHFFFAOYSA-N -1 0 315.383 2.320 50 0 DEAARM O=S(=O)([O-])C(F)(F)C(F)(F)OC(Cl)(Cl)Cl ZINC000004843963 181161921 /nfs/dbraw/zinc/16/19/21/181161921.db2.gz SFVVWTYCFYLYOA-UHFFFAOYSA-N -1 0 315.455 2.404 50 0 DEAARM O=C([O-])c1cccc(OC[C@@H](O)Cn2cnc3ccccc32)c1 ZINC000004905085 181170791 /nfs/dbraw/zinc/17/07/91/181170791.db2.gz YXJZBKXSDWSDSL-ZDUSSCGKSA-N -1 0 312.325 2.174 50 0 DEAARM Cc1cc(C)nc([N-]S(=O)(=O)c2cccc3ncccc32)n1 ZINC000097375675 355705010 /nfs/dbraw/zinc/70/50/10/355705010.db2.gz WIDOGQMMIBBKHD-UHFFFAOYSA-N -1 0 314.370 2.442 50 0 DEAARM Cc1cccc(C)c1NCc1nn2c([n-]1)nc1c(c2=O)CCC1 ZINC000101803479 355710259 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ZINC000038137734 401922934 /nfs/dbraw/zinc/92/29/34/401922934.db2.gz CASGSTUQAISKTI-UHFFFAOYSA-N -1 0 301.320 2.386 50 0 DEAARM COc1ccc(CCCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000136472167 401968506 /nfs/dbraw/zinc/96/85/06/401968506.db2.gz LHDGESDHWTYQQC-HNNXBMFYSA-N -1 0 305.374 2.484 50 0 DEAARM O=C([O-])Cc1sc(N2CCOCC2)nc1-c1ccccc1 ZINC000095097088 402025792 /nfs/dbraw/zinc/02/57/92/402025792.db2.gz NLOCLMABXCJDFT-UHFFFAOYSA-N -1 0 304.371 2.274 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)Nc1nc(Cl)nc2nc[nH]c21 ZINC000095477704 402033748 /nfs/dbraw/zinc/03/37/48/402033748.db2.gz FNEBDBOHNCPWTR-SECBINFHSA-N -1 0 317.736 2.114 50 0 DEAARM CCC[C@@](C)(NC(=O)Cc1c(C)nn(C(F)F)c1C)C(=O)[O-] ZINC000095969844 402038280 /nfs/dbraw/zinc/03/82/80/402038280.db2.gz DHKIKJSUMVIXRC-CQSZACIVSA-N -1 0 317.336 2.197 50 0 DEAARM Cc1cccc2c(CCC(=O)N(CC(=O)[O-])C3CC3)c[nH]c21 ZINC000095969899 402038398 /nfs/dbraw/zinc/03/83/98/402038398.db2.gz CFOTZHWISYSYOM-UHFFFAOYSA-N -1 0 300.358 2.485 50 0 DEAARM Cn1cc(CCC(=O)NC2(C(=O)[O-])CCC2)c2ccccc21 ZINC000095989670 402043097 /nfs/dbraw/zinc/04/30/97/402043097.db2.gz SKAQMRSZJZPVTM-UHFFFAOYSA-N -1 0 300.358 2.234 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc(-c3cccs3)n[nH]2)C1 ZINC000095989543 402043228 /nfs/dbraw/zinc/04/32/28/402043228.db2.gz WUTPCKIQEDXKBR-AWEZNQCLSA-N -1 0 305.359 2.075 50 0 DEAARM C[C@H](CNC(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000095989505 402043241 /nfs/dbraw/zinc/04/32/41/402043241.db2.gz SPUVZEBTVOJQFV-SECBINFHSA-N -1 0 314.179 2.219 50 0 DEAARM COc1ccc(CCC(=O)N[C@](C)(C(=O)[O-])C(C)C)cc1F ZINC000095989680 402043277 /nfs/dbraw/zinc/04/32/77/402043277.db2.gz RTGOWBMHXFJACR-INIZCTEOSA-N -1 0 311.353 2.382 50 0 DEAARM CC(C)c1nc([N-]S(=O)(=O)c2c(F)cccc2F)no1 ZINC000095994117 402044132 /nfs/dbraw/zinc/04/41/32/402044132.db2.gz LFPKMIOXJUORFY-UHFFFAOYSA-N -1 0 303.290 2.272 50 0 DEAARM COc1cc(C(=O)/C=C\c2cccnc2)ccc1OCC(=O)[O-] ZINC000096405119 402078124 /nfs/dbraw/zinc/07/81/24/402078124.db2.gz RZKGIQLLQMPBSH-XQRVVYSFSA-N -1 0 313.309 2.450 50 0 DEAARM COc1ncccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000055618029 402084968 /nfs/dbraw/zinc/08/49/68/402084968.db2.gz MBCGOQITCJPGSQ-UHFFFAOYSA-N -1 0 318.276 2.308 50 0 DEAARM O=C([O-])[C@@H](NC(=O)c1cccc2c[nH]nc21)c1ccccc1F ZINC000097036452 402101078 /nfs/dbraw/zinc/10/10/78/402101078.db2.gz HPWNKKWQKQXCFH-AWEZNQCLSA-N -1 0 313.288 2.258 50 0 DEAARM O=C(CNC(=O)c1cc(F)c(F)c([O-])c1F)c1cccs1 ZINC000097112983 402108668 /nfs/dbraw/zinc/10/86/68/402108668.db2.gz UBTKEQRVTOJGKV-UHFFFAOYSA-N -1 0 315.272 2.484 50 0 DEAARM Cc1c(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)cnn1C ZINC000065449519 402125153 /nfs/dbraw/zinc/12/51/53/402125153.db2.gz ITMDLPQJPWGADJ-ZDUSSCGKSA-N -1 0 321.764 2.328 50 0 DEAARM C[C@H]1CCCCN1C1CN(C(=O)c2ccc(C(=O)[O-])s2)C1 ZINC000097475416 402125666 /nfs/dbraw/zinc/12/56/66/402125666.db2.gz RBPLCPXXXZOKDK-JTQLQIEISA-N -1 0 308.403 2.145 50 0 DEAARM CCN(CC(F)(F)F)C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000097743140 402131954 /nfs/dbraw/zinc/13/19/54/402131954.db2.gz 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O=C([O-])[C@@H]1CCCN1C(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000238080010 402437139 /nfs/dbraw/zinc/43/71/39/402437139.db2.gz YXDWEUSPLKQVKB-ZDUSSCGKSA-N -1 0 319.748 2.419 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2Cc3cccc(F)c3O2)cc1 ZINC000238125466 402438736 /nfs/dbraw/zinc/43/87/36/402438736.db2.gz AOXFGTOXLRUDKA-CQSZACIVSA-N -1 0 315.300 2.144 50 0 DEAARM O=C([O-])CCNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000238175207 402440055 /nfs/dbraw/zinc/44/00/55/402440055.db2.gz HOEXNGXORXIQFI-WDEREUQCSA-N -1 0 301.264 2.400 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc3c(s2)CCCCC3)CCO1 ZINC000238198316 402440937 /nfs/dbraw/zinc/44/09/37/402440937.db2.gz XGSXLEPWYONTAH-GFCCVEGCSA-N -1 0 323.414 2.333 50 0 DEAARM CCNc1ncc(CN2CCc3sc(C(=O)[O-])cc3C2)cn1 ZINC000243914782 402446764 /nfs/dbraw/zinc/44/67/64/402446764.db2.gz BKRAMAVRUMBMJV-UHFFFAOYSA-N -1 0 318.402 2.226 50 0 DEAARM Cc1occc1S([O-])=CC(=O)N1CCc2sccc2C1 ZINC000189630149 402548423 /nfs/dbraw/zinc/54/84/23/402548423.db2.gz 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/nfs/dbraw/zinc/75/87/60/402758760.db2.gz JPRSHXWCMUYARK-LBPRGKRZSA-N -1 0 302.355 2.291 50 0 DEAARM CC[C@](NC(=O)c1ccnn1C)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000262152338 402722435 /nfs/dbraw/zinc/72/24/35/402722435.db2.gz PHSKYYYACGMZKT-OAHLLOKOSA-N -1 0 321.764 2.193 50 0 DEAARM C[C@@H]1CC[C@@H]2C(=O)N([C@H](CC(=O)[O-])c3ccco3)C(=O)[C@@H]2C1 ZINC000102999928 296665267 /nfs/dbraw/zinc/66/52/67/296665267.db2.gz WWVINSFHAZLOQY-WRWGMCAJSA-N -1 0 305.330 2.217 50 0 DEAARM CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])nc2)C12CCC2 ZINC000177808349 286330642 /nfs/dbraw/zinc/33/06/42/286330642.db2.gz FCQLWQLCECDKBI-UONOGXRCSA-N -1 0 318.373 2.200 50 0 DEAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)C3CCCCC3)sc2C(=O)C1 ZINC000299772958 403570602 /nfs/dbraw/zinc/57/06/02/403570602.db2.gz BLIMBLUZYCVUJU-SECBINFHSA-N -1 0 322.386 2.492 50 0 DEAARM O=C([O-])[C@@H]1C=CCN1C(=O)CCc1nc2ccccc2s1 ZINC000426534145 405367632 /nfs/dbraw/zinc/36/76/32/405367632.db2.gz YIHAGVFKYOQFFJ-NSHDSACASA-N -1 0 302.355 2.081 50 0 DEAARM COCCC[C@@]1(C(=O)[O-])CCCN(c2nc(C)ncc2C)C1 ZINC000091951924 292379321 /nfs/dbraw/zinc/37/93/21/292379321.db2.gz OJICLQIEJJKCTD-INIZCTEOSA-N -1 0 307.394 2.191 50 0 DEAARM CC(C)c1nc(S(=O)(=O)N(C)c2ccc(C(=O)[O-])cc2)c[nH]1 ZINC000131543891 196178442 /nfs/dbraw/zinc/17/84/42/196178442.db2.gz OMNKHEIAPMXHJT-UHFFFAOYSA-N -1 0 323.374 2.056 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccn(-c2ccccc2F)n1 ZINC000136463836 196538063 /nfs/dbraw/zinc/53/80/63/196538063.db2.gz LDJWAMOOUXEGAQ-AWEZNQCLSA-N -1 0 317.320 2.091 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000299739743 229374078 /nfs/dbraw/zinc/37/40/78/229374078.db2.gz ANRQIUNXFQTFKA-AWEZNQCLSA-N -1 0 306.337 2.115 50 0 DEAARM COc1cc(C)ccc1OCCC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000299741322 229376348 /nfs/dbraw/zinc/37/63/48/229376348.db2.gz DRZPDAIGQXMSHX-KRWDZBQOSA-N -1 0 321.373 2.096 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cnc(Cc2ccccc2)s1 ZINC000299741798 229376426 /nfs/dbraw/zinc/37/64/26/229376426.db2.gz 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302.286 2.049 50 0 DEAARM CCOc1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)cc1OC ZINC000268959686 207123271 /nfs/dbraw/zinc/12/32/71/207123271.db2.gz XPMBINPOACEUFJ-WEVVVXLNSA-N -1 0 319.357 2.183 50 0 DEAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCCCc1cccs1 ZINC000268998665 207156538 /nfs/dbraw/zinc/15/65/38/207156538.db2.gz XJUZBYKJVWXBQG-ZDUSSCGKSA-N -1 0 311.403 2.163 50 0 DEAARM O=C([O-])C1(CC(=O)Nc2cccc3c2OCCO3)CCCC1 ZINC000058377133 184110055 /nfs/dbraw/zinc/11/00/55/184110055.db2.gz XQSFKTAXUYSIDX-UHFFFAOYSA-N -1 0 305.330 2.431 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)c1ccc(Br)cn1)C(=O)[O-] ZINC000061860261 184190213 /nfs/dbraw/zinc/19/02/13/184190213.db2.gz JFGSJJFBBCYZNS-XVKPBYJWSA-N -1 0 315.167 2.073 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(F)ccc2Br)C1 ZINC000062117318 184206477 /nfs/dbraw/zinc/20/64/77/184206477.db2.gz GSLFRWCTHCMAQU-SSDOTTSWSA-N -1 0 316.126 2.135 50 0 DEAARM O=S(=O)([N-]c1ccc(Cl)cc1)c1ccc2nncn2c1 ZINC000065199317 184314283 /nfs/dbraw/zinc/31/42/83/184314283.db2.gz JPDABWZUPTUIHL-UHFFFAOYSA-N -1 0 308.750 2.184 50 0 DEAARM O=C([O-])c1ccc(Cn2c(=O)c3cccn3c3cccnc32)cc1 ZINC000021782041 304244794 /nfs/dbraw/zinc/24/47/94/304244794.db2.gz HJSLQZZHMOYHPC-UHFFFAOYSA-N -1 0 319.320 2.396 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)c2ccccc2-c2ccccc2)CCO1 ZINC000238128000 257237846 /nfs/dbraw/zinc/23/78/46/257237846.db2.gz OHFSLLUCHYAGGX-MRXNPFEDSA-N -1 0 311.337 2.279 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)COCc1ccccc1 ZINC000261552383 257237921 /nfs/dbraw/zinc/23/79/21/257237921.db2.gz RGOKEPGEBCZHJC-HNNXBMFYSA-N -1 0 305.374 2.449 50 0 DEAARM CCC(=O)N1CC[C@H](C(=O)Nc2ccc3[n-]c(=S)oc3c2)C1 ZINC000120986454 195276194 /nfs/dbraw/zinc/27/61/94/195276194.db2.gz JZPNDAMBXQORLU-VIFPVBQESA-N -1 0 319.386 2.314 50 0 DEAARM O=C([O-])Cn1ccc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)n1 ZINC000122840302 195509255 /nfs/dbraw/zinc/50/92/55/195509255.db2.gz RBNISVUMTHHPKS-WDEREUQCSA-N -1 0 319.748 2.363 50 0 DEAARM COC(=O)c1cc(C)sc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000355478 291999181 /nfs/dbraw/zinc/99/91/81/291999181.db2.gz CWEWJVAOJXHPCU-ZJUUUORDSA-N -1 0 323.370 2.449 50 0 DEAARM C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1occc1Br ZINC000263256076 132579320 /nfs/dbraw/zinc/57/93/20/132579320.db2.gz UCNNJFPWXRFHRS-SFYZADRCSA-N -1 0 316.151 2.367 50 0 DEAARM CCCCC(=O)NC(=S)Nc1cc(C(=O)[O-])ccc1OC ZINC000003000408 401720629 /nfs/dbraw/zinc/72/06/29/401720629.db2.gz HRTGWWLEOLFKFO-UHFFFAOYSA-N -1 0 310.375 2.397 50 0 DEAARM CCSc1nc(N)c(NC(=O)c2ccc(C)cc2)c(=O)[n-]1 ZINC000005081689 401728530 /nfs/dbraw/zinc/72/85/30/401728530.db2.gz LUFLQKRINQAXTL-UHFFFAOYSA-N -1 0 304.375 2.025 50 0 DEAARM O=C([O-])COc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O ZINC000005447316 401729425 /nfs/dbraw/zinc/72/94/25/401729425.db2.gz UOZROCYNJRNIIC-UVTDQMKNSA-N -1 0 323.304 2.495 50 0 DEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@H]1C(=O)NCCc1ccccc1 ZINC000006742342 401732178 /nfs/dbraw/zinc/73/21/78/401732178.db2.gz XOZAHVYJTCZYCE-QDIHITRGSA-N -1 0 301.386 2.482 50 0 DEAARM CCNC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000008195566 401749289 /nfs/dbraw/zinc/74/92/89/401749289.db2.gz FUQMIFJTMKBERV-UHFFFAOYSA-N -1 0 320.374 2.024 50 0 DEAARM O=C([O-])CCCC(=O)N1CCN(c2ccccc2Cl)CC1 ZINC000007779731 401743848 /nfs/dbraw/zinc/74/38/48/401743848.db2.gz FVDDLRQCLAVQMG-UHFFFAOYSA-N -1 0 310.781 2.244 50 0 DEAARM O=C([O-])/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1 ZINC000000072021 401687741 /nfs/dbraw/zinc/68/77/41/401687741.db2.gz XXTGKIRVFYJOKQ-MDWZMJQESA-N -1 0 311.293 2.271 50 0 DEAARM CCOC(=O)c1ccc(NC(=O)N=C([O-])C(F)(F)F)cc1 ZINC000000107038 401688144 /nfs/dbraw/zinc/68/81/44/401688144.db2.gz XXWUPNZQMVABLS-UHFFFAOYSA-N -1 0 304.224 2.074 50 0 DEAARM Cc1ccc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000000182817 401689472 /nfs/dbraw/zinc/68/94/72/401689472.db2.gz OQSZDEQZBBOCCP-UHFFFAOYSA-N -1 0 305.355 2.275 50 0 DEAARM COc1cccc(OCC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000000187413 401689702 /nfs/dbraw/zinc/68/97/02/401689702.db2.gz IUEIDGIIJISFRE-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 biogenic DEAARM CCc1ccccc1NC(=O)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000000202807 401690139 /nfs/dbraw/zinc/69/01/39/401690139.db2.gz PIMLOCNBTPIYIJ-HNNXBMFYSA-N -1 0 316.357 2.414 50 0 DEAARM CCOc1ccc(NC(=O)C[C@H](C(=O)[O-])[C@H]2CCCO2)cc1 ZINC000000250897 401692435 /nfs/dbraw/zinc/69/24/35/401692435.db2.gz WRAVKMUPSRYLLK-UONOGXRCSA-N -1 0 307.346 2.294 50 0 DEAARM CC(=O)N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)[O-] ZINC000000399541 401696582 /nfs/dbraw/zinc/69/65/82/401696582.db2.gz VCXXRMRBSJAWIA-KRWDZBQOSA-N -1 0 313.353 2.397 50 0 DEAARM COc1cc2[n-]c(=S)n(C[C@@H]3CCCO3)c(=O)c2cc1OC ZINC000000425210 401697734 /nfs/dbraw/zinc/69/77/34/401697734.db2.gz MWJZBNXOLWKWSA-VIFPVBQESA-N -1 0 322.386 2.255 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1ccc(F)cc1 ZINC000000534050 401700551 /nfs/dbraw/zinc/70/05/51/401700551.db2.gz YCKLSPXTQRIYJB-HNNXBMFYSA-N -1 0 316.332 2.321 50 0 DEAARM CC(C)(C)OC(=O)[C@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000001640118 401708818 /nfs/dbraw/zinc/70/88/18/401708818.db2.gz DCRXXPBUFHOMPN-LBPRGKRZSA-N -1 0 323.345 2.098 50 0 DEAARM O=C([O-])c1ccc(NC(=O)CCC(=O)OCC(F)(F)F)cc1 ZINC000002025392 401711447 /nfs/dbraw/zinc/71/14/47/401711447.db2.gz GOQLVSYMIFESQZ-UHFFFAOYSA-N -1 0 319.235 2.209 50 0 DEAARM CCOC(=O)C=C([O-])c1ccc(I)cc1 ZINC000002509875 401714101 /nfs/dbraw/zinc/71/41/01/401714101.db2.gz DOIUIJYPQHAHLM-UHFFFAOYSA-N -1 0 318.110 2.427 50 0 DEAARM COc1cc(OC)cc(C(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000013168236 401797424 /nfs/dbraw/zinc/79/74/24/401797424.db2.gz JEUQZBXACJLVPU-UHFFFAOYSA-N -1 0 307.346 2.221 50 0 DEAARM O=C([O-])c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(F)cc1 ZINC000013278386 401798331 /nfs/dbraw/zinc/79/83/31/401798331.db2.gz BGDLOAJXUSJQTB-UHFFFAOYSA-N -1 0 321.329 2.275 50 0 DEAARM COc1ccccc1CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000013737119 401803752 /nfs/dbraw/zinc/80/37/52/401803752.db2.gz GKRNGMBBPQXUCW-ZIAGYGMSSA-N -1 0 303.358 2.021 50 0 DEAARM Cc1ccc(NC(=O)Cc2c([O-])c3ccccc3[nH]c2=O)nc1 ZINC000009703994 401764619 /nfs/dbraw/zinc/76/46/19/401764619.db2.gz NBGCFWFVFFRLFG-UHFFFAOYSA-N -1 0 309.325 2.118 50 0 DEAARM O=C([O-])c1ccn(-c2ccccc2NC(=O)[C@H]2CCCCO2)n1 ZINC000128399733 401774660 /nfs/dbraw/zinc/77/46/60/401774660.db2.gz HCPHBUJZYAZGDI-CQSZACIVSA-N -1 0 315.329 2.078 50 0 DEAARM O=C([O-])CCN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21 ZINC000012297074 401782625 /nfs/dbraw/zinc/78/26/25/401782625.db2.gz KAWOUENTKWFZLX-INIZCTEOSA-N -1 0 322.320 2.276 50 0 biogenic DEAARM CC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000012552474 401788283 /nfs/dbraw/zinc/78/82/83/401788283.db2.gz XYWXJKYKQQUSPV-UHFFFAOYSA-N -1 0 319.338 2.388 50 0 DEAARM O=C([O-])COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 ZINC000012847052 401792909 /nfs/dbraw/zinc/79/29/09/401792909.db2.gz ATUWKMVFHMVZTJ-GDNBJRDFSA-N -1 0 323.304 2.495 50 0 DEAARM Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])n1 ZINC000040714851 401926570 /nfs/dbraw/zinc/92/65/70/401926570.db2.gz NYVSOVPDXKAGFF-AVGNSLFASA-N -1 0 321.377 2.323 50 0 DEAARM Nc1c(C(=O)NCc2ccccc2Cl)nsc1C(=O)[O-] ZINC000033268022 401890442 /nfs/dbraw/zinc/89/04/42/401890442.db2.gz UICOAIOXHMXALT-UHFFFAOYSA-N -1 0 311.750 2.007 50 0 DEAARM C[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCC(C(=O)[O-])CC1 ZINC000037407895 401912776 /nfs/dbraw/zinc/91/27/76/401912776.db2.gz ISAPEMNKYRRRMK-SNVBAGLBSA-N -1 0 311.765 2.431 50 0 DEAARM C[C@H](Oc1ccccc1Cl)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000037435999 401913467 /nfs/dbraw/zinc/91/34/67/401913467.db2.gz RKFYXZLLQZEWKE-QWRGUYRKSA-N -1 0 311.765 2.431 50 0 DEAARM Cc1ccc(SCC(=O)N2CCC[C@H](c3nnn[n-]3)C2)cc1 ZINC000089639210 401955265 /nfs/dbraw/zinc/95/52/65/401955265.db2.gz OMIFRJSCPYFFKD-LBPRGKRZSA-N -1 0 317.418 2.006 50 0 DEAARM CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136121477 401960421 /nfs/dbraw/zinc/96/04/21/401960421.db2.gz FFQNFEIBFPNSST-VIFPVBQESA-N -1 0 313.785 2.134 50 0 DEAARM O=C([O-])CCCNC(=O)c1cc(-c2ccccc2Cl)n[nH]1 ZINC000089821242 401966532 /nfs/dbraw/zinc/96/65/32/401966532.db2.gz RUQXWRPTGHOTTO-UHFFFAOYSA-N -1 0 307.737 2.325 50 0 DEAARM COc1ccc(S(=O)(=O)C=C([O-])c2ccc(F)cc2)cc1 ZINC000048365653 401999030 /nfs/dbraw/zinc/99/90/30/401999030.db2.gz KEESKRZMWGMPDN-UHFFFAOYSA-N -1 0 308.330 2.491 50 0 DEAARM Cn1c(=O)c2ccc(C(=O)OC3CCCC3)cc2[n-]c1=S ZINC000121087290 402014392 /nfs/dbraw/zinc/01/43/92/402014392.db2.gz DSYSBSGLVUPMCN-UHFFFAOYSA-N -1 0 304.371 2.322 50 0 DEAARM CN(C(=O)c1ccccc1NCC(=O)[O-])C(C1CC1)C1CC1 ZINC000055383607 402081410 /nfs/dbraw/zinc/08/14/10/402081410.db2.gz DEXXMNUXKQKRJS-UHFFFAOYSA-N -1 0 302.374 2.444 50 0 DEAARM Cc1cccc(OC(F)F)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000096450994 402090371 /nfs/dbraw/zinc/09/03/71/402090371.db2.gz TZOLZNDEWAAIOK-UHFFFAOYSA-N -1 0 317.317 2.131 50 0 DEAARM CCCCc1ccnc([N-]S(=O)(=O)c2cnn(C(C)C)c2)n1 ZINC000097114391 402109313 /nfs/dbraw/zinc/10/93/13/402109313.db2.gz CBSQLLJPRCMCQU-UHFFFAOYSA-N -1 0 323.422 2.397 50 0 DEAARM C[C@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000054070426 402061963 /nfs/dbraw/zinc/06/19/63/402061963.db2.gz SLVWDPMCVNZTIR-SSDOTTSWSA-N -1 0 305.161 2.337 50 0 DEAARM CCSc1nn2c([n-]1)nc(-c1ccc(OC)cc1)cc2=O ZINC000101173542 402144318 /nfs/dbraw/zinc/14/43/18/402144318.db2.gz SHMNAGNIPVIWIH-UHFFFAOYSA-N -1 0 302.359 2.205 50 0 DEAARM CCOc1ccc(-n2nnc(C(=O)[O-])c2-c2ccccn2)cc1 ZINC000067323674 402156868 /nfs/dbraw/zinc/15/68/68/402156868.db2.gz QUMZMKPCQLZPOK-UHFFFAOYSA-N -1 0 310.313 2.426 50 0 DEAARM Cc1noc(C)c1CN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000069492031 402227192 /nfs/dbraw/zinc/22/71/92/402227192.db2.gz YRFSBKFBUYZEIK-XJKSGUPXSA-N -1 0 314.341 2.466 50 0 DEAARM CN(C)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cn1 ZINC000069587843 402233000 /nfs/dbraw/zinc/23/30/00/402233000.db2.gz SWRRNIQPZNSTHF-UHFFFAOYSA-N -1 0 313.329 2.227 50 0 DEAARM O=S(=O)([N-]c1cccc2n[nH]cc21)c1ccc2c(c1)COC2 ZINC000070039600 402256175 /nfs/dbraw/zinc/25/61/75/402256175.db2.gz UEBLKBYGKDFZNO-UHFFFAOYSA-N -1 0 315.354 2.394 50 0 DEAARM Cc1ccn(-c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])C3(C)C)cc2)n1 ZINC000071281706 402271924 /nfs/dbraw/zinc/27/19/24/402271924.db2.gz GEPWRFGNWFRISU-KBPBESRZSA-N -1 0 313.357 2.476 50 0 DEAARM O=C([O-])CN(Cc1ccccc1)C(=O)Cc1[nH]nc2ccccc21 ZINC000225483008 402319018 /nfs/dbraw/zinc/31/90/18/402319018.db2.gz CUYLKWBHZYVYBF-UHFFFAOYSA-N -1 0 323.352 2.219 50 0 DEAARM CC(C)c1ccc(CCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1 ZINC000236636313 402370612 /nfs/dbraw/zinc/37/06/12/402370612.db2.gz YBMYFMVZMKCCHR-INIZCTEOSA-N -1 0 319.401 2.445 50 0 DEAARM CC[C@H](C)c1ccc(S(=O)(=O)[N-]c2nc(C)nn2C)cc1 ZINC000185832947 402381231 /nfs/dbraw/zinc/38/12/31/402381231.db2.gz KHBUHDGPAGVJKI-JTQLQIEISA-N -1 0 308.407 2.438 50 0 DEAARM O=C([O-])C1CCN(C(=O)COc2ccc3c(c2)CCCC3)CC1 ZINC000238023103 402432839 /nfs/dbraw/zinc/43/28/39/402432839.db2.gz ZNBDGMPLASZYPU-UHFFFAOYSA-N -1 0 317.385 2.267 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cc(-c2ccccc2)on1 ZINC000238049570 402434469 /nfs/dbraw/zinc/43/44/69/402434469.db2.gz AWBNLIJJWQHVJT-CYBMUJFWSA-N -1 0 300.314 2.421 50 0 DEAARM O=C([O-])CCN(C(=O)/C=C/c1ccccc1)C1CCOCC1 ZINC000238072357 402436358 /nfs/dbraw/zinc/43/63/58/402436358.db2.gz QPTCRYACGVMXAI-VOTSOKGWSA-N -1 0 303.358 2.182 50 0 DEAARM CO[C@@H](C(=O)NC[C@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000239475401 402441693 /nfs/dbraw/zinc/44/16/93/402441693.db2.gz AOBAYGWBUYYXCG-JKSUJKDBSA-N -1 0 313.353 2.359 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(Oc3cccnc3)cc2)C1 ZINC000178262006 402476962 /nfs/dbraw/zinc/47/69/62/402476962.db2.gz RBYDIKBOLSNPAT-CYBMUJFWSA-N -1 0 312.325 2.421 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2occc2COc2ccccc2)C1 ZINC000261701994 402716098 /nfs/dbraw/zinc/71/60/98/402716098.db2.gz CTPNJXYTARVZCG-GFCCVEGCSA-N -1 0 315.325 2.405 50 0 DEAARM C[C@H](NC(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1)C(=O)[O-] ZINC000262988453 402739513 /nfs/dbraw/zinc/73/95/13/402739513.db2.gz PZJIEUDKGUCDSE-NWDGAFQWSA-N -1 0 316.357 2.184 50 0 DEAARM Cc1cc(C)cc([C@H](NC(=O)[C@H](C)n2cccn2)C(=O)[O-])c1 ZINC000262984066 402739679 /nfs/dbraw/zinc/73/96/79/402739679.db2.gz JRSFINNTUIOGNV-JSGCOSHPSA-N -1 0 301.346 2.003 50 0 DEAARM Cc1nc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)c(C)s1 ZINC000263074893 402743099 /nfs/dbraw/zinc/74/30/99/402743099.db2.gz PJTWXWRGTKYEIV-UHFFFAOYSA-N -1 0 320.370 2.500 50 0 DEAARM Cc1ccsc1C(=O)N1CCC(n2cc(C(=O)[O-])cn2)CC1 ZINC000263131211 402744803 /nfs/dbraw/zinc/74/48/03/402744803.db2.gz HNXLYCJGPHFJOJ-UHFFFAOYSA-N -1 0 319.386 2.429 50 0 DEAARM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1O ZINC000263440161 402769265 /nfs/dbraw/zinc/76/92/65/402769265.db2.gz PNZYGNOMNGVDRA-KBPBESRZSA-N -1 0 305.374 2.254 50 0 DEAARM CCC(=O)Nc1ccc(NC(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000263465978 402771773 /nfs/dbraw/zinc/77/17/73/402771773.db2.gz GFMUAQZNXOOPFN-LLVKDONJSA-N -1 0 319.361 2.364 50 0 DEAARM Cc1nc(-c2ccc(N(C)C[C@H](C)C(=O)[O-])nc2)[nH]c(=O)c1C ZINC000263547491 402779941 /nfs/dbraw/zinc/77/99/41/402779941.db2.gz ICIFZUNNHSISIY-VIFPVBQESA-N -1 0 316.361 2.018 50 0 DEAARM O=C(c1c([O-])cccc1F)N1CCC(Oc2cnccn2)CC1 ZINC000332095727 403482249 /nfs/dbraw/zinc/48/22/49/403482249.db2.gz CCPJPLDQYPTOQE-UHFFFAOYSA-N -1 0 317.320 2.005 50 0 DEAARM CC[C@]1(C(=O)[O-])CCCN(C(=O)c2nc3ccccc3[nH]2)C1 ZINC000299768822 403569304 /nfs/dbraw/zinc/56/93/04/403569304.db2.gz MNQOKIJYSKMDEB-INIZCTEOSA-N -1 0 301.346 2.280 50 0 DEAARM CC[C@@H](NC(=O)c1c(C)[nH]c(C(=O)[O-])c1C)c1nc(C)c[nH]1 ZINC000426537444 405367533 /nfs/dbraw/zinc/36/75/33/405367533.db2.gz HJKBUWIELRUAEQ-SNVBAGLBSA-N -1 0 304.350 2.242 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1cnn2ccccc12 ZINC000647734009 407042731 /nfs/dbraw/zinc/04/27/31/407042731.db2.gz OZNITKCIBBSCNT-AWEZNQCLSA-N -1 0 315.373 2.123 50 0 DEAARM Cc1cccc(C[C@H](CNC(=O)[C@H]2C[C@@H]2C2CC2)C(=O)[O-])c1 ZINC000237694729 225212530 /nfs/dbraw/zinc/21/25/30/225212530.db2.gz JQDQURRFCXORAT-OAGGEKHMSA-N -1 0 301.386 2.401 50 0 DEAARM O=C([O-])CCN(C(=O)/C=C/c1ccccc1F)C1CCOCC1 ZINC000408513238 227235813 /nfs/dbraw/zinc/23/58/13/227235813.db2.gz DCDOLBJWCUYVFO-AATRIKPKSA-N -1 0 321.348 2.321 50 0 DEAARM C[C@@H](CN(C)C(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000299363851 229075247 /nfs/dbraw/zinc/07/52/47/229075247.db2.gz OFYOZRXVRBCQKO-SWLSCSKDSA-N -1 0 321.373 2.037 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1CC(=O)NCc1cccs1 ZINC000299745115 229383853 /nfs/dbraw/zinc/38/38/53/229383853.db2.gz WGPBCXGSVRCFEW-UBHSHLNASA-N -1 0 322.430 2.082 50 0 DEAARM COCc1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)o1 ZINC000299744301 229384265 /nfs/dbraw/zinc/38/42/65/229384265.db2.gz ODJXAAVDLLECPT-WXHSDQCUSA-N -1 0 307.346 2.284 50 0 DEAARM C[C@]1(c2ccccc2)CN(C(=O)c2ccc(C(=O)[O-])o2)CCO1 ZINC000299746484 229388665 /nfs/dbraw/zinc/38/86/65/229388665.db2.gz XRVTXEQEXKKSES-QGZVFWFLSA-N -1 0 315.325 2.366 50 0 DEAARM CCOc1ccccc1NCc1nn2c([n-]1)nc(C)c(C)c2=O ZINC000101582382 424847053 /nfs/dbraw/zinc/84/70/53/424847053.db2.gz WNGJZWOGKUWORU-UHFFFAOYSA-N -1 0 313.361 2.045 50 0 DEAARM Cc1[n-]n(-c2ccccc2)c(=O)c1C(=O)NCc1ccccc1 ZINC000102387550 424847812 /nfs/dbraw/zinc/84/78/12/424847812.db2.gz LEGDVMXLPVDLSV-MRXNPFEDSA-N -1 0 307.353 2.342 50 0 DEAARM CC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@H]1CSc2ccccc21 ZINC000118601186 424852506 /nfs/dbraw/zinc/85/25/06/424852506.db2.gz JSPFOAZNIKJCGE-PWSUYJOCSA-N -1 0 313.444 2.368 50 0 DEAARM O=C([O-])[C@H]1COCCN1Cc1cccc(OC2CCCC2)c1 ZINC000244633558 424886437 /nfs/dbraw/zinc/88/64/37/424886437.db2.gz GEYAASJCAMMXKG-MRXNPFEDSA-N -1 0 305.374 2.293 50 0 DEAARM c1cncc(-c2nnc([N-]c3cccnc3N3CCCC3)o2)c1 ZINC000585134418 424993297 /nfs/dbraw/zinc/99/32/97/424993297.db2.gz RQCXOISKZFHDJI-UHFFFAOYSA-N -1 0 308.345 2.870 50 0 DEAARM C[C@H](CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21)n1ccnc1 ZINC000653326786 425463039 /nfs/dbraw/zinc/46/30/39/425463039.db2.gz KZSJWWBGDZLINT-KCPJHIHWSA-N -1 0 313.357 2.264 50 0 DEAARM O=C([O-])CC1(NC(=O)c2ccc3ncsc3c2)CCOCC1 ZINC000663122460 425803095 /nfs/dbraw/zinc/80/30/95/425803095.db2.gz JGEOOCFXDYWPTR-UHFFFAOYSA-N -1 0 320.370 2.050 50 0 DEAARM COc1ccc2cc(C(=O)N3CCC[C@H]3C(=O)[O-])c(C)nc2c1 ZINC000263047126 295278979 /nfs/dbraw/zinc/27/89/79/295278979.db2.gz DOTYVSLGFKXPES-HNNXBMFYSA-N -1 0 314.341 2.241 50 0 DEAARM Nc1cc2c(cc1C([O-])(C(F)(F)F)C(F)(F)F)OCCO2 ZINC000005571587 295349732 /nfs/dbraw/zinc/34/97/32/295349732.db2.gz BVLVXRQDTQNZAE-UHFFFAOYSA-N -1 0 317.185 2.352 50 0 DEAARM C[C@]1(C(=O)[O-])CCCCN1C(=O)c1ccc(SCCO)cc1 ZINC000217069248 300776074 /nfs/dbraw/zinc/77/60/74/300776074.db2.gz JTZWGBCCGFFRIC-MRXNPFEDSA-N -1 0 323.414 2.240 50 0 DEAARM Cc1cc(N2C(=O)[N-]S(=O)(=O)c3cccnc32)ccc1F ZINC000067172416 301345171 /nfs/dbraw/zinc/34/51/71/301345171.db2.gz GIEAYMYTZSLPLH-UHFFFAOYSA-N -1 0 307.306 2.284 50 0 DEAARM Cc1ccc(S(=O)(=O)[C@H]2C[C@H](C)SC(=S)[N-]2)cc1 ZINC000001409970 301699943 /nfs/dbraw/zinc/69/99/43/301699943.db2.gz WUBBEHMCGUXYRH-ONGXEEELSA-N -1 0 301.458 2.495 50 0 DEAARM COCCOc1ccc(-c2c(C)nn(CC(=O)[O-])c2C)cc1 ZINC000534589978 334293749 /nfs/dbraw/zinc/29/37/49/334293749.db2.gz PPEKUOOBVIABQG-UHFFFAOYSA-N -1 0 304.346 2.277 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)N=S=N2)[C@H]1CCCOC1 ZINC000262845282 534529700 /nfs/dbraw/zinc/52/97/00/534529700.db2.gz SPXVWJNSXPTPLF-JOYOIKCWSA-N -1 0 321.358 2.023 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cn1ccc2ccccc21 ZINC000206212481 599859333 /nfs/dbraw/zinc/85/93/33/599859333.db2.gz SNHIZCXHYYBOCS-MRXNPFEDSA-N -1 0 322.364 2.453 50 0 DEAARM CC(=NNC(=O)c1cccs1)c1ccc(OCC(=O)[O-])cc1 ZINC000254834057 646435442 /nfs/dbraw/zinc/43/54/42/646435442.db2.gz SGWLEIFTSMRFBE-UHFFFAOYSA-N -1 0 318.354 2.366 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)/C=C/c1ccccn1 ZINC000097017931 684054919 /nfs/dbraw/zinc/05/49/19/684054919.db2.gz GRVXYFOMHYRJJM-FDMDGMSGSA-N -1 0 308.337 2.133 50 0 DEAARM C[C@H](CN(C)C(=O)C=Cc1cccc2cccnc12)c1nnn[n-]1 ZINC000124657615 684137433 /nfs/dbraw/zinc/13/74/33/684137433.db2.gz DMBYEDKINDVHFY-IDVQTMNDSA-N -1 0 322.372 2.023 50 0 DEAARM C[C@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C[C@H]1n1ccnc1 ZINC000887557535 692399676 /nfs/dbraw/zinc/39/96/76/692399676.db2.gz SVRSWXNLOIQDRY-QWHCGFSZSA-N -1 0 307.394 2.184 50 0 DEAARM CCC[C@H](NC(=O)c1cc(-c2cccc(OC)c2)n[nH]1)C(=O)[O-] ZINC000095496628 185374177 /nfs/dbraw/zinc/37/41/77/185374177.db2.gz WBXHIASVWJDWAK-LBPRGKRZSA-N -1 0 317.345 2.068 50 0 DEAARM COc1ccc(C)cc1/C=C\C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000096793840 185388458 /nfs/dbraw/zinc/38/84/58/185388458.db2.gz NWFTZGPVVLJGDE-QPBFKRLHSA-N -1 0 303.358 2.340 50 0 DEAARM CCC[C@H](NC(=O)Cc1c[nH]c2c1cccc2C)c1nnn[n-]1 ZINC000089949580 185271229 /nfs/dbraw/zinc/27/12/29/185271229.db2.gz XGKLZHLLOMIMFD-ZDUSSCGKSA-N -1 0 312.377 2.190 50 0 DEAARM Cc1c(C(=O)N(C)CCCC(=O)[O-])cnn1-c1ccc(C)cc1 ZINC000095389878 185351113 /nfs/dbraw/zinc/35/11/13/185351113.db2.gz SJZWFFGHIZUSTD-UHFFFAOYSA-N -1 0 315.373 2.426 50 0 DEAARM CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000095424678 185361548 /nfs/dbraw/zinc/36/15/48/185361548.db2.gz PVNQEGJDHKYARO-SMDDNHRTSA-N -1 0 321.373 2.272 50 0 DEAARM Cc1c(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)cnn1C ZINC000097014500 185397256 /nfs/dbraw/zinc/39/72/56/185397256.db2.gz FIHTYGGNWXCHGO-UHFFFAOYSA-N -1 0 301.346 2.343 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1cccc(-n2cccn2)c1)c1ccccc1 ZINC000097018006 185397803 /nfs/dbraw/zinc/39/78/03/185397803.db2.gz RXNCBBIXRYRLBL-MRXNPFEDSA-N -1 0 321.336 2.428 50 0 DEAARM Cn1cccc1C(=O)N(CCC(=O)[O-])Cc1cccc(F)c1F ZINC000097018152 185397849 /nfs/dbraw/zinc/39/78/49/185397849.db2.gz CYAYOSJGLZBEIG-UHFFFAOYSA-N -1 0 322.311 2.420 50 0 DEAARM O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)CC1CCC1 ZINC000181659185 199333944 /nfs/dbraw/zinc/33/39/44/199333944.db2.gz CDKRYLWFELGQJN-HNNXBMFYSA-N -1 0 300.358 2.470 50 0 DEAARM CC(C)(CCC(=O)[O-])NC(=O)c1ccn(-c2ccccc2F)n1 ZINC000170044547 197765798 /nfs/dbraw/zinc/76/57/98/197765798.db2.gz YILGTWMYPGQVOC-UHFFFAOYSA-N -1 0 319.336 2.385 50 0 DEAARM Cc1ccnc(C)c1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000330908018 232154645 /nfs/dbraw/zinc/15/46/45/232154645.db2.gz TZNQNPPLHHCLKC-UHFFFAOYSA-N -1 0 308.407 2.352 50 0 DEAARM Cc1cc(C(=O)Nc2cc(C(=O)[O-])ccc2OC(C)C)n[nH]1 ZINC000236634146 201942454 /nfs/dbraw/zinc/94/24/54/201942454.db2.gz AIIZNDDOQTZUFO-UHFFFAOYSA-N -1 0 303.318 2.456 50 0 DEAARM CC1CCN(c2ccc(C(=O)N3CCC[C@H]3C(=O)[O-])cn2)CC1 ZINC000236668823 201955706 /nfs/dbraw/zinc/95/57/06/201955706.db2.gz QLURDZRLFXZYDH-AWEZNQCLSA-N -1 0 317.389 2.007 50 0 DEAARM Cc1cc(C)c2c(n[nH]c2NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000071284851 190952487 /nfs/dbraw/zinc/95/24/87/190952487.db2.gz VCEXLEMRHITUHQ-UHFFFAOYSA-N -1 0 324.340 2.454 50 0 DEAARM O=C([O-])C[C@@H]1CCCN1C(=O)CCc1nc(C2CCCC2)no1 ZINC000262889403 186319325 /nfs/dbraw/zinc/31/93/25/186319325.db2.gz HUEQGOJZRAEQON-LBPRGKRZSA-N -1 0 321.377 2.126 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](C(=O)[O-])[C@@H](O)c1ccc(Cl)cc1 ZINC000002518281 180931297 /nfs/dbraw/zinc/93/12/97/180931297.db2.gz 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181088836 /nfs/dbraw/zinc/08/88/36/181088836.db2.gz WXSZBPULTHYGJD-UHFFFAOYSA-N -1 0 320.389 2.438 50 0 DEAARM CCOc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1CO ZINC000051149493 354380521 /nfs/dbraw/zinc/38/05/21/354380521.db2.gz REPWEZZPCCYPNT-KGLIPLIRSA-N -1 0 319.357 2.183 50 0 DEAARM C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(N)=O)C1 ZINC000004613961 181129701 /nfs/dbraw/zinc/12/97/01/181129701.db2.gz KVLXXAGVQDJZQO-MRVPVSSYSA-N -1 0 324.402 2.165 50 0 DEAARM Cn1cnnc1-c1cccc(NC(=O)CC(C)(C)CC(=O)[O-])c1 ZINC000004788842 181152320 /nfs/dbraw/zinc/15/23/20/181152320.db2.gz BUAFHBTXXAKGBN-UHFFFAOYSA-N -1 0 316.361 2.312 50 0 DEAARM O=C(Nc1nnn[n-]1)c1occc1CSc1ccccc1 ZINC000072290223 354899694 /nfs/dbraw/zinc/89/96/94/354899694.db2.gz IWGGLFPOFMXHDC-UHFFFAOYSA-N -1 0 301.331 2.337 50 0 DEAARM Cc1cccc2c([O-])c(C[C@@H]3C(=O)C4CCN3CC4)c(=O)oc12 ZINC000102821706 355713505 /nfs/dbraw/zinc/71/35/05/355713505.db2.gz ZRSFRYLOQFLJLE-CQSZACIVSA-N -1 0 313.353 2.013 50 0 DEAARM 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402046909 /nfs/dbraw/zinc/04/69/09/402046909.db2.gz VCRREMVOMWIJII-UHFFFAOYSA-N -1 0 318.301 2.428 50 0 DEAARM CC(C)CCc1nc(CS(=O)(=O)[C@@H](C)C(=O)[O-])cs1 ZINC000096012754 402047679 /nfs/dbraw/zinc/04/76/79/402047679.db2.gz HCCXHJYAEJKZAB-VIFPVBQESA-N -1 0 305.421 2.120 50 0 DEAARM CCN(Cc1noc(C)n1)[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055060820 402074934 /nfs/dbraw/zinc/07/49/34/402074934.db2.gz NMCAJAPZQSKCOZ-AWEZNQCLSA-N -1 0 307.325 2.473 50 0 DEAARM CN1C[C@@H](NC(=O)c2c([O-])cc(Cl)cc2Cl)CCC1=O ZINC000096456621 402091903 /nfs/dbraw/zinc/09/19/03/402091903.db2.gz DDPCAIFTPHMPGA-QMMMGPOBSA-N -1 0 317.172 2.050 50 0 DEAARM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000096484005 402094187 /nfs/dbraw/zinc/09/41/87/402094187.db2.gz PKBYJUGEQRWLMO-UHFFFAOYSA-N -1 0 305.363 2.141 50 0 DEAARM O=C([O-])C1CCC(NC(=O)c2ccn(C3CCCC3)n2)CC1 ZINC000097035939 402100995 /nfs/dbraw/zinc/10/09/95/402100995.db2.gz NBWSMODDELTFTA-UHFFFAOYSA-N -1 0 305.378 2.371 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000097035354 402101071 /nfs/dbraw/zinc/10/10/71/402101071.db2.gz LQKCIMHCIIJFPW-SDDRHHMPSA-N -1 0 309.312 2.392 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cnn(Cc2ccccc2)c1 ZINC000097050004 402102783 /nfs/dbraw/zinc/10/27/83/402102783.db2.gz DOWQLAQSGOPLGT-OAHLLOKOSA-N -1 0 313.357 2.011 50 0 DEAARM O=C(NCC1(O)CCCCC1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097446852 402125119 /nfs/dbraw/zinc/12/51/19/402125119.db2.gz VIASTUPOFSJOKU-UHFFFAOYSA-N -1 0 318.348 2.092 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167182 402143755 /nfs/dbraw/zinc/14/37/55/402143755.db2.gz UZUGHLNIWOWFQD-GJZGRUSLSA-N -1 0 324.315 2.319 50 0 DEAARM CC(C)(CC(=O)Nc1cc2c(cc1F)NC(=O)CC2)C(=O)[O-] ZINC000153499855 402149595 /nfs/dbraw/zinc/14/95/95/402149595.db2.gz AACALCTUKJHVBY-UHFFFAOYSA-N -1 0 308.309 2.150 50 0 DEAARM Cc1nnc2c(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cccn12 ZINC000067172406 402153419 /nfs/dbraw/zinc/15/34/19/402153419.db2.gz 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402373867 /nfs/dbraw/zinc/37/38/67/402373867.db2.gz OLWKKOULGWDHGC-CYBMUJFWSA-N -1 0 322.336 2.254 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2csc(-c3ccoc3)n2)C1 ZINC000237359166 402405865 /nfs/dbraw/zinc/40/58/65/402405865.db2.gz TYAUVERVUNXMSS-CQSZACIVSA-N -1 0 306.343 2.340 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1C[C@@H](C(=O)[O-])c2ccccc21 ZINC000177479199 402407103 /nfs/dbraw/zinc/40/71/03/402407103.db2.gz WFFWVIRNLWURTA-CQSZACIVSA-N -1 0 314.341 2.439 50 0 DEAARM Cc1ccc(/C=C/C(=O)N(CC(=O)[O-])C2CCOCC2)cc1 ZINC000237815637 402421944 /nfs/dbraw/zinc/42/19/44/402421944.db2.gz JSTGWTHMHUQFAM-VOTSOKGWSA-N -1 0 303.358 2.100 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)COc1ccccc1F ZINC000237985123 402430007 /nfs/dbraw/zinc/43/00/07/402430007.db2.gz MTGPIQABZHOMSE-GFCCVEGCSA-N -1 0 309.337 2.450 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@@H]1Cc2ccccc2O1 ZINC000238035378 402433409 /nfs/dbraw/zinc/43/34/09/402433409.db2.gz ROBFSYQVQWMJME-WBVHZDCISA-N -1 0 323.348 2.028 50 0 DEAARM O=C([O-])CCN1CCO[C@H](c2ccccc2Br)C1 ZINC000238163802 402439395 /nfs/dbraw/zinc/43/93/95/402439395.db2.gz NLSQVMHBZUQZQG-LBPRGKRZSA-N -1 0 314.179 2.297 50 0 DEAARM O=C([O-])CCN1CCO[C@@H](c2ccc(Br)cc2)C1 ZINC000238163429 402439557 /nfs/dbraw/zinc/43/95/57/402439557.db2.gz RHLJPYDINLBIBT-GFCCVEGCSA-N -1 0 314.179 2.297 50 0 DEAARM Cc1ncsc1C(=O)N(CCc1ccccc1)CC(=O)[O-] ZINC000178137216 402464444 /nfs/dbraw/zinc/46/44/44/402464444.db2.gz XFBSPSFZVVUTOY-UHFFFAOYSA-N -1 0 304.371 2.221 50 0 DEAARM O=C([N-]S(=O)(=O)CC1CCC1)[C@H]1CSc2ccccc21 ZINC000164879756 402470079 /nfs/dbraw/zinc/47/00/79/402470079.db2.gz PLAYLTFQISQMPN-LBPRGKRZSA-N -1 0 311.428 2.122 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cccn2Cc2cccs2)C1 ZINC000178273027 402478717 /nfs/dbraw/zinc/47/87/17/402478717.db2.gz OKENLGWCFAIWJX-NSHDSACASA-N -1 0 304.371 2.145 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000249240617 402623759 /nfs/dbraw/zinc/62/37/59/402623759.db2.gz CUIAUOAATGQYRC-UMSGYPCISA-N -1 0 309.749 2.007 50 0 DEAARM N#Cc1ccc(C=NNc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000252633533 402659536 /nfs/dbraw/zinc/65/95/36/402659536.db2.gz WEBMDFUJOZFVGY-UHFFFAOYSA-N -1 0 301.327 2.251 50 0 DEAARM CCCc1ccc(C(=O)[N-]S(=O)(=O)c2ncccc2F)cc1 ZINC000252496952 402656581 /nfs/dbraw/zinc/65/65/81/402656581.db2.gz PWKWYRBVXXLHSZ-UHFFFAOYSA-N -1 0 322.361 2.292 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000261621300 402714954 /nfs/dbraw/zinc/71/49/54/402714954.db2.gz AWLXSKXHPLBNRJ-WFASDCNBSA-N -1 0 319.357 2.072 50 0 DEAARM COc1ccccc1OCC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000261832955 402718276 /nfs/dbraw/zinc/71/82/76/402718276.db2.gz XVQNNCJPWZQPTJ-CYBMUJFWSA-N -1 0 321.373 2.177 50 0 DEAARM CO[C@@H]1[C@@H](C)[C@H](NC(=O)CCc2ccccc2C(=O)[O-])C1(C)C ZINC000262749386 402730125 /nfs/dbraw/zinc/73/01/25/402730125.db2.gz JUXMQGBFGRNEMS-KNXALSJPSA-N -1 0 319.401 2.493 50 0 DEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@]1(C)CCCOC1 ZINC000263193918 402747118 /nfs/dbraw/zinc/74/71/18/402747118.db2.gz TYUSJMJRHVOKOL-MRXNPFEDSA-N -1 0 307.346 2.214 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC([C@@H]3CCCO3)CC2)s1 ZINC000263533774 402778217 /nfs/dbraw/zinc/77/82/17/402778217.db2.gz NQISRNQGGWXRIW-NSHDSACASA-N -1 0 309.387 2.478 50 0 DEAARM COc1ccc(CNC(=O)[C@H]2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000272347950 402926977 /nfs/dbraw/zinc/92/69/77/402926977.db2.gz CPTWBTSNPSYIHB-STQMWFEESA-N -1 0 321.373 2.211 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)C1 ZINC000268938641 403121485 /nfs/dbraw/zinc/12/14/85/403121485.db2.gz JPGXUKACHQUHRI-OAGGEKHMSA-N -1 0 317.385 2.478 50 0 DEAARM O=C(Cc1cccc2ccccc21)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000361192525 404966897 /nfs/dbraw/zinc/96/68/97/404966897.db2.gz VWRJPGQFAVRKBQ-OAHLLOKOSA-N -1 0 321.384 2.302 50 0 DEAARM CCOc1ccc(CN(C(=O)N[C@H](C)C(=O)[O-])C2CC2)cc1 ZINC000426386315 405356434 /nfs/dbraw/zinc/35/64/34/405356434.db2.gz MBJKQEFHZVMZRC-LLVKDONJSA-N -1 0 306.362 2.232 50 0 DEAARM O=C([O-])c1csc(CCNC(=O)C[C@@H]2C[C@@H]3C=C[C@H]2C3)n1 ZINC000426505749 405365406 /nfs/dbraw/zinc/36/54/06/405365406.db2.gz JPIZIZUPPNVRIR-VWYCJHECSA-N -1 0 306.387 2.102 50 0 DEAARM COCCN(Cc1nccs1)C(=O)c1ccccc1C(=O)[O-] ZINC000426521210 405367066 /nfs/dbraw/zinc/36/70/66/405367066.db2.gz JPYHMEHXAFJXEZ-UHFFFAOYSA-N -1 0 320.370 2.130 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)CCOc2ccc(Cl)cc2)C1 ZINC000136107261 196520720 /nfs/dbraw/zinc/52/07/20/196520720.db2.gz BYXKBQFJGSMMQL-NSHDSACASA-N -1 0 311.765 2.432 50 0 DEAARM C[S@](=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000299746507 229388439 /nfs/dbraw/zinc/38/84/39/229388439.db2.gz XVMSDNKOVXIZMQ-IPQOISQHSA-N -1 0 323.414 2.141 50 0 DEAARM O=C([O-])C[C@H](NC(=O)CCn1cccn1)c1ccccc1Cl ZINC000044935031 424814756 /nfs/dbraw/zinc/81/47/56/424814756.db2.gz BNJOQGPSLYCZHV-ZDUSSCGKSA-N -1 0 321.764 2.259 50 0 DEAARM Cc1nc(-c2cccc(N3C[C@H](C(=O)[O-])CC3=O)c2)oc1C ZINC000044979149 424815436 /nfs/dbraw/zinc/81/54/36/424815436.db2.gz VEMPSDSNKJPIEU-GFCCVEGCSA-N -1 0 300.314 2.396 50 0 DEAARM C[C@H](CC(=O)N[C@H]1C[C@@H](C(=O)[O-])c2ccccc21)n1ccnc1 ZINC000653326785 425463176 /nfs/dbraw/zinc/46/31/76/425463176.db2.gz KZSJWWBGDZLINT-DFBGVHRSSA-N -1 0 313.357 2.264 50 0 DEAARM CCCn1nccc1C(=O)N1CCC[C@H](C(C)(C)C(=O)[O-])C1 ZINC000659144501 425535834 /nfs/dbraw/zinc/53/58/34/425535834.db2.gz IAOUNVUCAOSEBK-LBPRGKRZSA-N -1 0 307.394 2.256 50 0 DEAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000663142710 425805514 /nfs/dbraw/zinc/80/55/14/425805514.db2.gz XPUHJQOIHJYLAA-GRDNDAEWSA-N -1 0 305.374 2.164 50 0 DEAARM CC(=O)Nc1ccc(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000098055494 278187595 /nfs/dbraw/zinc/18/75/95/278187595.db2.gz QGNFSIYBAOSRSP-YYRKOSNBSA-N -1 0 316.357 2.124 50 0 DEAARM CC(C)c1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)nn1C ZINC000097018007 280581101 /nfs/dbraw/zinc/58/11/01/280581101.db2.gz RSUAGGDUOZJMQU-AWEZNQCLSA-N -1 0 301.346 2.099 50 0 DEAARM COc1c(C)cc(C(=O)N2C[C@H](OC)C[C@@H]2CC(=O)[O-])cc1C ZINC000262970315 294890698 /nfs/dbraw/zinc/89/06/98/294890698.db2.gz IRFYTGSJUCOEMP-ZIAGYGMSSA-N -1 0 321.373 2.016 50 0 DEAARM COc1ccc(-c2nnc(N3CCC[C@@H]3C(=O)[O-])s2)cc1 ZINC000263083284 295049506 /nfs/dbraw/zinc/04/95/06/295049506.db2.gz BMFWPZQLIJAWPY-LLVKDONJSA-N -1 0 305.359 2.267 50 0 DEAARM COc1ccc2c(c1OC)C(=O)N1[C@H](C(=O)[O-])C(C)(C)S[C@@H]21 ZINC000004082248 295277483 /nfs/dbraw/zinc/27/74/83/295277483.db2.gz GYHAWRDFSMFCKS-YPMHNXCESA-N -1 0 323.370 2.137 50 0 biogenic DEAARM Cc1c2ccc(C)cc2oc1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000299784972 301017162 /nfs/dbraw/zinc/01/71/62/301017162.db2.gz QXOVTPDELGCCOZ-LBPRGKRZSA-N -1 0 317.341 2.365 50 0 DEAARM Cc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2Cl)n(C)n1 ZINC000095399180 301135297 /nfs/dbraw/zinc/13/52/97/301135297.db2.gz NBROUXZCASGVND-LBPRGKRZSA-N -1 0 321.764 2.328 50 0 DEAARM Cc1ccc(S(=O)(=O)[C@@H]2C[C@@H](C)SC(=S)[N-]2)cc1 ZINC000001409969 301699611 /nfs/dbraw/zinc/69/96/11/301699611.db2.gz WUBBEHMCGUXYRH-MWLCHTKSSA-N -1 0 301.458 2.495 50 0 DEAARM Cc1ccccc1[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C(=O)[O-] ZINC000091585945 302153467 /nfs/dbraw/zinc/15/34/67/302153467.db2.gz MARDYBRHOBSKPD-JKSUJKDBSA-N -1 0 317.385 2.048 50 0 DEAARM Cc1cccnc1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000100671468 302241148 /nfs/dbraw/zinc/24/11/48/302241148.db2.gz QLKHYEJOCWLKBY-UHFFFAOYSA-N -1 0 309.325 2.200 50 0 DEAARM Cc1nc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cs1 ZINC000087427842 302554601 /nfs/dbraw/zinc/55/46/01/302554601.db2.gz LFVDKAQPDRJOCA-CYBMUJFWSA-N -1 0 302.355 2.103 50 0 DEAARM COc1c([N-]S(=O)(=O)c2ccc(C)cc2C)c(C)nn1C ZINC000096407104 337381960 /nfs/dbraw/zinc/38/19/60/337381960.db2.gz JEMSCJUSGZSAKG-UHFFFAOYSA-N -1 0 309.391 2.155 50 0 DEAARM O=C([O-])C1(NC(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000203659900 563803719 /nfs/dbraw/zinc/80/37/19/563803719.db2.gz KONPWJKFHVOBED-UHFFFAOYSA-N -1 0 304.129 2.106 50 0 DEAARM O=C([O-])c1cccc2cc(C(=O)NN=Cc3ccccc3O)[nH]c21 ZINC000252623419 563887962 /nfs/dbraw/zinc/88/79/62/563887962.db2.gz OQUBPJXELXMGJU-UHFFFAOYSA-N -1 0 323.308 2.336 50 0 DEAARM Cc1cc(C)n(CC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)[O-])n1 ZINC000237665923 601391905 /nfs/dbraw/zinc/39/19/05/601391905.db2.gz MOTPSAPWSCZVHQ-CZUORRHYSA-N -1 0 315.373 2.078 50 0 DEAARM CCCCS[C@H](C)C(=O)Nc1cc(=O)n2[n-]c(C)cc2n1 ZINC000888099762 635542858 /nfs/dbraw/zinc/54/28/58/635542858.db2.gz PGYBVZNFDYPUGU-SNVBAGLBSA-N -1 0 308.407 2.191 50 0 DEAARM CCn1ncnc1-c1nccn1[C@H](Cc1ccccc1)C(=O)[O-] ZINC000071419282 683927491 /nfs/dbraw/zinc/92/74/91/683927491.db2.gz NPKPHHACIZDOOG-CYBMUJFWSA-N -1 0 311.345 2.030 50 0 DEAARM C[C@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C[C@@H]1n1ccnc1 ZINC000887557536 692399907 /nfs/dbraw/zinc/39/99/07/692399907.db2.gz SVRSWXNLOIQDRY-STQMWFEESA-N -1 0 307.394 2.184 50 0 DEAARM C[C@]1(C(=O)[N-]Oc2ccc(Cl)c(Cl)c2)CCC(=O)NC1 ZINC000585125689 790318815 /nfs/dbraw/zinc/31/88/15/790318815.db2.gz BKPRSXXFEIAIHP-ZDUSSCGKSA-N -1 0 317.172 2.320 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C(F)F)n[nH]2)c(C)c1 ZINC000585128618 790323446 /nfs/dbraw/zinc/32/34/46/790323446.db2.gz HXWWVSCMYWZAFU-UHFFFAOYSA-N -1 0 302.306 2.160 50 0 DEAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccnc(N2CCCC[C@H]2C)c1 ZINC000584908127 789634703 /nfs/dbraw/zinc/63/47/03/789634703.db2.gz ZJRDVJJNORVFQM-NEPJUHHUSA-N -1 0 305.378 2.006 50 0 DEAARM O=C([O-])[C@H](F)[C@@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000952881359 792795576 /nfs/dbraw/zinc/79/55/76/792795576.db2.gz GQRZUNIIQUDPKA-SVGQVSJJSA-N -1 0 309.124 2.206 50 0 DEAARM Cc1ccccc1SC1CCN(C(=O)NCC(=O)[O-])CC1 ZINC001506423033 1061966478 /nfs/dbraw/zinc/96/64/78/1061966478.db2.gz SDDQUGBQXSEWPW-UHFFFAOYSA-N -1 0 308.403 2.346 50 0 DEAARM CC(C)n1cc(S(=O)(=O)[N-]c2cc(Cl)ccn2)cn1 ZINC000079072077 185153452 /nfs/dbraw/zinc/15/34/52/185153452.db2.gz QOQOBYKZDXAQBQ-UHFFFAOYSA-N -1 0 300.771 2.313 50 0 DEAARM CCC[C@@H](NC(=O)[C@H]1SCCc2ccccc21)c1nnn[n-]1 ZINC000089949564 185271167 /nfs/dbraw/zinc/27/11/67/185271167.db2.gz BISGVGCSZAPHLR-OLZOCXBDSA-N -1 0 317.418 2.188 50 0 DEAARM O=C([O-])[C@H](CNC(=O)c1cccc(F)c1)Cc1ccccc1 ZINC000225461018 201712558 /nfs/dbraw/zinc/71/25/58/201712558.db2.gz JLHJFXCEBJBKNG-AWEZNQCLSA-N -1 0 301.317 2.499 50 0 DEAARM O=C([O-])CCNC(=O)c1cccc(NC(=O)C2CCCCC2)c1 ZINC000095424235 185361373 /nfs/dbraw/zinc/36/13/73/185361373.db2.gz CZOXJUKYQYJJIR-UHFFFAOYSA-N -1 0 318.373 2.410 50 0 DEAARM C[C@@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)[S@@](C)=O ZINC000095436820 185365208 /nfs/dbraw/zinc/36/52/08/185365208.db2.gz YZHYPUJYUBJDRO-QQOXFEPMSA-N -1 0 310.202 2.196 50 0 DEAARM O=S(=O)([N-][C@H]1CCSC1)c1c(F)c(F)cc(F)c1F ZINC000225752811 201741182 /nfs/dbraw/zinc/74/11/82/201741182.db2.gz NJUOSHREEBAYLD-YFKPBYRVSA-N -1 0 315.313 2.027 50 0 DEAARM Cc1cc(Br)oc1C(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000096402683 301073031 /nfs/dbraw/zinc/07/30/31/301073031.db2.gz MKJRJHUZXXFNBH-MRVPVSSYSA-N -1 0 316.151 2.430 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)n1 ZINC000236662465 201951140 /nfs/dbraw/zinc/95/11/40/201951140.db2.gz SMNZMVMLRRKPJD-MRXNPFEDSA-N -1 0 323.393 2.013 50 0 DEAARM O=C(Nc1cccnc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613806 304009807 /nfs/dbraw/zinc/00/98/07/304009807.db2.gz WUTYUCDMUOSTFL-UHFFFAOYSA-N -1 0 321.336 2.301 50 0 DEAARM O=C(Nc1ccncc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613803 304010414 /nfs/dbraw/zinc/01/04/14/304010414.db2.gz UKELNJOYRSWTRK-UHFFFAOYSA-N -1 0 321.336 2.301 50 0 DEAARM CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)CCCC(=O)[O-] ZINC000252487030 539784524 /nfs/dbraw/zinc/78/45/24/539784524.db2.gz HQSCFQXYEKXNKX-UHFFFAOYSA-N -1 0 309.753 2.430 50 0 DEAARM COc1ccc(-c2cnc(CN3CCC[C@@H]3C(=O)[O-])o2)cc1 ZINC000237446786 186290206 /nfs/dbraw/zinc/29/02/06/186290206.db2.gz RUYHAAIDJCLGAE-CYBMUJFWSA-N -1 0 302.330 2.399 50 0 DEAARM CCc1ccc(NC(=O)C[C@@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000000195772 180722411 /nfs/dbraw/zinc/72/24/11/180722411.db2.gz JDHDEPFGNTWQBN-OAHLLOKOSA-N -1 0 316.357 2.414 50 0 DEAARM Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000000269966 180743929 /nfs/dbraw/zinc/74/39/29/180743929.db2.gz GDPQMIWXOKDXPC-LBPRGKRZSA-N -1 0 300.314 2.339 50 0 DEAARM O=C([O-])C1(C(=O)NCCc2ccccc2OC(F)(F)F)CC1 ZINC000119010685 304028038 /nfs/dbraw/zinc/02/80/38/304028038.db2.gz RGGQBZIAKPVAOC-UHFFFAOYSA-N -1 0 317.263 2.109 50 0 DEAARM O=C([O-])C1(CC(=O)Nc2ccc3c(c2)C(=O)NC3)CCCCC1 ZINC000058473463 304029419 /nfs/dbraw/zinc/02/94/19/304029419.db2.gz JKNGKSOCOXVXCW-UHFFFAOYSA-N -1 0 316.357 2.294 50 0 DEAARM O=C([O-])C1=Nc2ncnn2[C@H](c2ccc(Br)cc2)C1 ZINC000004942688 304035684 /nfs/dbraw/zinc/03/56/84/304035684.db2.gz SDMWDXCDYLIQMQ-JTQLQIEISA-N -1 0 321.134 2.024 50 0 DEAARM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccc2O)cc1 ZINC000003991736 181060429 /nfs/dbraw/zinc/06/04/29/181060429.db2.gz HWPUTVPCXQRJBH-UHFFFAOYSA-N -1 0 322.342 2.371 50 0 DEAARM CC[C@@H](C)[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000004086346 181071074 /nfs/dbraw/zinc/07/10/74/181071074.db2.gz LFULISIPSBADSX-KCJUWKMLSA-N -1 0 305.783 2.118 50 0 DEAARM Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(=O)[O-] ZINC000004105079 181073215 /nfs/dbraw/zinc/07/32/15/181073215.db2.gz KSAPQJAUMYTQMJ-UHFFFAOYSA-N -1 0 312.684 2.257 50 0 DEAARM O=C([O-])c1nc[nH]c1C(=O)Nc1ccc(Br)cc1 ZINC000004066913 181068523 /nfs/dbraw/zinc/06/85/23/181068523.db2.gz FWBMFWBYXAHYAZ-UHFFFAOYSA-N -1 0 310.107 2.123 50 0 DEAARM Cc1c(OCc2nnn[n-]2)ccc2c3c(c(=O)oc12)CCCC3 ZINC000004283120 181092659 /nfs/dbraw/zinc/09/26/59/181092659.db2.gz YTMBFCRZXZVURD-UHFFFAOYSA-N -1 0 312.329 2.072 50 0 DEAARM COc1ccc(CC(=O)Nc2ccc(S(=O)(=O)[O-])cc2)cc1 ZINC000004582957 181127285 /nfs/dbraw/zinc/12/72/85/181127285.db2.gz ABVAIUQKDZZOAH-UHFFFAOYSA-N -1 0 321.354 2.123 50 0 DEAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1ccccc1 ZINC000004809500 181154561 /nfs/dbraw/zinc/15/45/61/181154561.db2.gz PSXXUGUWSDJVCN-UHFFFAOYSA-N -1 0 316.382 2.380 50 0 DEAARM CCOC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc(C)c1CC ZINC000004903772 181170998 /nfs/dbraw/zinc/17/09/98/181170998.db2.gz MVSVKQDQWLWOPC-VOTSOKGWSA-N -1 0 311.359 2.375 50 0 DEAARM COc1cc(S(=O)(=O)[N-]c2cccnc2)c(OC)cc1C ZINC000004970403 181181202 /nfs/dbraw/zinc/18/12/02/181181202.db2.gz POIKSDXLSQAIPI-UHFFFAOYSA-N -1 0 308.359 2.208 50 0 DEAARM Cc1cccc(C(=O)NCC(=O)Nc2cccc(O)c2F)c1 ZINC000097096036 355701467 /nfs/dbraw/zinc/70/14/67/355701467.db2.gz DRPUGRVRMRTFBR-UHFFFAOYSA-N -1 0 302.305 2.208 50 0 DEAARM O=c1[n-]c(=O)c(SCc2ccc(Cl)c(Cl)c2)n[nH]1 ZINC000005181795 181213524 /nfs/dbraw/zinc/21/35/24/181213524.db2.gz LYGBNLLPAFMHGZ-UHFFFAOYSA-N -1 0 304.158 2.057 50 0 DEAARM CCOC[C@H]1CCCN1C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000150312239 355922196 /nfs/dbraw/zinc/92/21/96/355922196.db2.gz SCFYWHUZLINFSV-CYBMUJFWSA-N -1 0 307.346 2.035 50 0 DEAARM O=C([O-])c1cc(C(=O)N[C@@H]2CC=CCC2)n(-c2ccccc2)n1 ZINC000195541642 356256140 /nfs/dbraw/zinc/25/61/40/356256140.db2.gz OVXIALMATPKHMS-GFCCVEGCSA-N -1 0 311.341 2.409 50 0 DEAARM Cc1n[n-]c(SCC(=O)Nc2ccccc2C(C)C)nc1=O ZINC000005625771 181265472 /nfs/dbraw/zinc/26/54/72/181265472.db2.gz DAHOKLDANRXERQ-UHFFFAOYSA-N -1 0 318.402 2.328 50 0 DEAARM Cc1ccc(OCCC(=O)N[C@@]2(C(=O)[O-])CCSC2)cc1C ZINC000271898066 356354003 /nfs/dbraw/zinc/35/40/03/356354003.db2.gz VOTKLBUELAEKMR-INIZCTEOSA-N -1 0 323.414 2.149 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CCC(C(=O)[O-])CC2)cc1F ZINC000314191403 356415832 /nfs/dbraw/zinc/41/58/32/356415832.db2.gz YXVBYNSIUJNBPG-HYXAFXHYSA-N -1 0 307.321 2.171 50 0 DEAARM CC[C@@H](Oc1ccccc1F)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000236889882 202055438 /nfs/dbraw/zinc/05/54/38/202055438.db2.gz QMBZJIVMUHPAEM-MLGOLLRUSA-N -1 0 309.337 2.306 50 0 DEAARM CC/C(=C/C(=O)N1CCO[C@H](CC(=O)[O-])C1)c1ccc(C)cc1 ZINC000236893214 202056681 /nfs/dbraw/zinc/05/66/81/202056681.db2.gz RFMLGDCVMBZVRL-SCOADAFUSA-N -1 0 317.385 2.491 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)/C=C\c1cccnc1 ZINC000387071361 356701511 /nfs/dbraw/zinc/70/15/11/356701511.db2.gz QPHIJDNDOJJXFY-RTJHIJBXSA-N -1 0 300.358 2.339 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cn1ncc2ccccc21 ZINC000237987622 304061990 /nfs/dbraw/zinc/06/19/90/304061990.db2.gz HSASRGAWTXMRMY-CQSZACIVSA-N -1 0 315.373 2.282 50 0 DEAARM O=C([O-])C[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 ZINC000003626855 304073700 /nfs/dbraw/zinc/07/37/00/304073700.db2.gz HDRGUIIOXMIEPF-AWEZNQCLSA-N -1 0 319.382 2.223 50 0 DEAARM Cn1cccc1C(=O)N1C[C@H](C(=O)[O-])C[C@H](c2ccccc2)C1 ZINC000180311053 199143841 /nfs/dbraw/zinc/14/38/41/199143841.db2.gz HRINTZQFRAVDAA-LSDHHAIUSA-N -1 0 312.369 2.356 50 0 DEAARM C[C@H](C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccccc1F ZINC000237400763 202255385 /nfs/dbraw/zinc/25/53/85/202255385.db2.gz SRTUVYZMZSDNKR-NSHDSACASA-N -1 0 309.337 2.021 50 0 DEAARM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccccc1 ZINC000668272750 540632640 /nfs/dbraw/zinc/63/26/40/540632640.db2.gz LVFUSCYCFQCRRN-JURCDPSOSA-N -1 0 305.374 2.380 50 0 DEAARM C[C@H](CC(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1F ZINC000237538612 202276409 /nfs/dbraw/zinc/27/64/09/202276409.db2.gz QKGIQYRSPGUJGB-NEPJUHHUSA-N -1 0 309.337 2.021 50 0 DEAARM Cc1noc(C)c1C[C@@H](C)C(=O)N(C[C@@H](C)C(=O)[O-])C1CC1 ZINC000237613070 202304354 /nfs/dbraw/zinc/30/43/54/202304354.db2.gz WLJJZIWPVBAWJN-NXEZZACHSA-N -1 0 308.378 2.182 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2csc(-c3ccoc3)n2)C1 ZINC000237644984 202315783 /nfs/dbraw/zinc/31/57/83/202315783.db2.gz IZBCDSYKGGEWTI-HNNXBMFYSA-N -1 0 320.370 2.269 50 0 DEAARM Cn1cc(CCC(=O)N2CC[C@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000237767607 202350074 /nfs/dbraw/zinc/35/00/74/202350074.db2.gz BXACEJCOKYQNSG-SFHVURJKSA-N -1 0 314.385 2.434 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000238068788 202432885 /nfs/dbraw/zinc/43/28/85/202432885.db2.gz UQLVWIPDQZYKBY-LLVKDONJSA-N -1 0 317.263 2.160 50 0 DEAARM O=C([O-])[C@@H](NC(=O)N1CCC2(CCCO2)CC1)c1ccccc1 ZINC000670447698 540934623 /nfs/dbraw/zinc/93/46/23/540934623.db2.gz IYPGYOBIHZZZOX-AWEZNQCLSA-N -1 0 318.373 2.167 50 0 DEAARM COc1ccc(-n2c3nnc([S-])n3c3ccccc3c2=O)cc1 ZINC000006476370 181343495 /nfs/dbraw/zinc/34/34/95/181343495.db2.gz ZCNPLTHUEQLIJX-UHFFFAOYSA-N -1 0 324.365 2.331 50 0 DEAARM COc1ccc(C[C@@H](C(=O)Nc2ccccc2)c2nnn[n-]2)cc1 ZINC000006520731 181348628 /nfs/dbraw/zinc/34/86/28/181348628.db2.gz GVBJEOJGBIPUOV-OAHLLOKOSA-N -1 0 323.356 2.173 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(F)c(Br)c1 ZINC000225950495 304113290 /nfs/dbraw/zinc/11/32/90/304113290.db2.gz AWUNLRUVQKGHNY-JTQLQIEISA-N -1 0 316.126 2.277 50 0 DEAARM O=C([O-])c1cccc2c1CCN(C(=O)CC1CCOCC1)C2 ZINC000621578813 364462559 /nfs/dbraw/zinc/46/25/59/364462559.db2.gz JYAXLSQHXVTHFR-UHFFFAOYSA-N -1 0 303.358 2.086 50 0 DEAARM Cc1ccc(Cl)cc1S(=O)(=O)N1CCC(C(=O)[O-])CC1 ZINC000006746603 181381617 /nfs/dbraw/zinc/38/16/17/181381617.db2.gz JHQPLYUPCLIVLD-UHFFFAOYSA-N -1 0 317.794 2.134 50 0 DEAARM O=C([O-])[C@@H]1CN(c2cnc3ccccc3n2)C[C@H]1c1ccncc1 ZINC000091390979 193048400 /nfs/dbraw/zinc/04/84/00/193048400.db2.gz NKQPFBURQYXVJY-UONOGXRCSA-N -1 0 320.352 2.329 50 0 DEAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccccc2N(C)C)C1 ZINC000091381694 193049529 /nfs/dbraw/zinc/04/95/29/193049529.db2.gz LHYYBBWTMDQBHK-QGZVFWFLSA-N -1 0 304.390 2.470 50 0 DEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)NC2CCCCC2)C1 ZINC000091829492 193112903 /nfs/dbraw/zinc/11/29/03/193112903.db2.gz YKERIRMNAIKQEA-INIZCTEOSA-N -1 0 312.410 2.232 50 0 DEAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)Cc2ccsc2)C1 ZINC000091877172 193122069 /nfs/dbraw/zinc/12/20/69/193122069.db2.gz CGGFDTXXOFDUAX-HNNXBMFYSA-N -1 0 311.403 2.021 50 0 DEAARM CC(C)CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C(=O)[O-])nn1C ZINC000630292069 367578169 /nfs/dbraw/zinc/57/81/69/367578169.db2.gz VPBAYOXKZPXNFQ-NWDGAFQWSA-N -1 0 307.394 2.453 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H]1CC12CCOCC2 ZINC000299745886 304143835 /nfs/dbraw/zinc/14/38/35/304143835.db2.gz TVDWCFFLSVCZQZ-DGAVXFQQSA-N -1 0 307.390 2.047 50 0 DEAARM COc1ccc([C@@H]2CCCN2C(=O)[C@H]2C[C@H]2C(=O)[O-])c(OC)c1 ZINC000262580664 203338110 /nfs/dbraw/zinc/33/81/10/203338110.db2.gz FMMUOZYGVBDACB-MJBXVCDLSA-N -1 0 319.357 2.088 50 0 DEAARM Cc1ccc(C)c(OC2CCN(C(=O)[C@@H]3C[C@H]3C(=O)[O-])CC2)c1 ZINC000262639949 203361415 /nfs/dbraw/zinc/36/14/15/203361415.db2.gz PWDJRRNYUDCTAZ-HUUCEWRRSA-N -1 0 317.385 2.394 50 0 DEAARM COCc1ccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000262706843 203387282 /nfs/dbraw/zinc/38/72/82/203387282.db2.gz JVGKBFGBQFGMHG-SHTZXODSSA-N -1 0 305.374 2.340 50 0 DEAARM CCC[C@@]1(COC)CCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000263573471 203482349 /nfs/dbraw/zinc/48/23/49/203482349.db2.gz MKBHZPGKRFTXPS-INIZCTEOSA-N -1 0 306.362 2.201 50 0 DEAARM O=C([N-]S(=O)(=O)Nc1ccccc1)c1c[nH]c2ccccc12 ZINC000016577163 182049592 /nfs/dbraw/zinc/04/95/92/182049592.db2.gz CJMDFLNVBZLZEW-UHFFFAOYSA-N -1 0 315.354 2.255 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)Cc1ccsc1 ZINC000022185384 182312063 /nfs/dbraw/zinc/31/20/63/182312063.db2.gz KQKSSESHYHETMC-UHFFFAOYSA-N -1 0 319.411 2.247 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1-c1nc(-c2ccco2)no1 ZINC000022464464 182322910 /nfs/dbraw/zinc/32/29/10/182322910.db2.gz DDRBGFPVTKUMHS-UHFFFAOYSA-N -1 0 305.315 2.368 50 0 DEAARM O=C([O-])CN(CC(=O)NCc1ccccc1F)c1ccccc1 ZINC000034926509 182744776 /nfs/dbraw/zinc/74/47/76/182744776.db2.gz ZVWDZIRAQPOELO-UHFFFAOYSA-N -1 0 316.332 2.033 50 0 DEAARM CN(Cc1csc(Br)c1)C(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000042362750 183259111 /nfs/dbraw/zinc/25/91/11/183259111.db2.gz NTXLUFHZBOFQMR-YUMQZZPRSA-N -1 0 318.192 2.190 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C)c1 ZINC000042623629 183292230 /nfs/dbraw/zinc/29/22/30/183292230.db2.gz CJUCLFDRDUFYLR-CHWSQXEVSA-N -1 0 317.341 2.387 50 0 DEAARM COCc1ccccc1NS(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000042792522 183308921 /nfs/dbraw/zinc/30/89/21/183308921.db2.gz AVZKGWOELJNXGV-UHFFFAOYSA-N -1 0 321.354 2.332 50 0 DEAARM Cc1c2ccccc2sc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000043701101 183382144 /nfs/dbraw/zinc/38/21/44/183382144.db2.gz QVXFFRKAFFUZGC-NSHDSACASA-N -1 0 305.355 2.135 50 0 DEAARM O=C([O-])c1cc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@@H]3C2=O)ccc1Cl ZINC000004181528 304225722 /nfs/dbraw/zinc/22/57/22/304225722.db2.gz GFLFKUHYSVELRX-XXHBBNRNSA-N -1 0 317.728 2.350 50 0 DEAARM O=C([O-])C[C@H](CC(=O)NC[C@H]1CCCO1)c1ccc(F)cc1 ZINC000057653758 184043986 /nfs/dbraw/zinc/04/39/86/184043986.db2.gz RKGFFMXEFZYAQE-GXTWGEPZSA-N -1 0 309.337 2.069 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1 ZINC000058845590 184129696 /nfs/dbraw/zinc/12/96/96/184129696.db2.gz LWBNLNGFHHXASV-HNNXBMFYSA-N -1 0 301.317 2.180 50 0 DEAARM C[C@@]1(CNC(=O)c2nn(-c3ccccc3F)cc2[O-])CCCO1 ZINC000153114007 196852388 /nfs/dbraw/zinc/85/23/88/196852388.db2.gz BDHGNXWLUXHJPO-INIZCTEOSA-N -1 0 319.336 2.016 50 0 DEAARM COc1ccc(OC[C@@H](O)COc2ccc(C(=O)[O-])cc2)cc1 ZINC000000207871 257234338 /nfs/dbraw/zinc/23/43/38/257234338.db2.gz TXOSOHKVAGCXDV-ZDUSSCGKSA-N -1 0 318.325 2.212 50 0 biogenic DEAARM O=C([O-])CCN(C(=O)c1ccc(Cl)cc1)C1CCOCC1 ZINC000238074425 257237839 /nfs/dbraw/zinc/23/78/39/257237839.db2.gz QTVBLYORJXIXDT-UHFFFAOYSA-N -1 0 311.765 2.436 50 0 DEAARM Cc1cc2nc(CN3CCC[C@H]3c3ccccn3)cc(=O)n2[n-]1 ZINC000102324622 257242432 /nfs/dbraw/zinc/24/24/32/257242432.db2.gz NWBRCEYLNPSTLC-HNNXBMFYSA-N -1 0 309.373 2.063 50 0 DEAARM C[C@](COc1ccccc1)(NC(=O)[C@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000299746115 257256230 /nfs/dbraw/zinc/25/62/30/257256230.db2.gz VJUPKKREILZGHT-GRDNDAEWSA-N -1 0 303.358 2.071 50 0 DEAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc2cc(Cl)ccc2o1 ZINC000268977081 257257048 /nfs/dbraw/zinc/25/70/48/257257048.db2.gz KFFBYAPTTQMIFE-JTQLQIEISA-N -1 0 309.705 2.012 50 0 DEAARM Cc1nc(CN2CCC[C@@H](c3n[nH]c(=O)[n-]3)C2)nc2ccccc12 ZINC000377531802 133333210 /nfs/dbraw/zinc/33/32/10/133333210.db2.gz YKHPTWPRSMGTPS-GFCCVEGCSA-N -1 0 324.388 2.142 50 0 DEAARM O=C([O-])c1ccccc1C(=O)N1CCN(c2ccccc2)CC1 ZINC000000100720 134428014 /nfs/dbraw/zinc/42/80/14/134428014.db2.gz CQJNRWLTKIHAMK-UHFFFAOYSA-N -1 0 310.353 2.347 50 0 DEAARM CCC1(O)CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000262407863 145281986 /nfs/dbraw/zinc/28/19/86/145281986.db2.gz NLGWNDHIXVDBPZ-UHFFFAOYSA-N -1 0 305.374 2.081 50 0 DEAARM Cc1cccc2cc(C(=O)NC3(C(=O)[O-])CCOCC3)oc21 ZINC000262929206 145312027 /nfs/dbraw/zinc/31/20/27/145312027.db2.gz LDTBJICTNJCXNO-UHFFFAOYSA-N -1 0 303.314 2.105 50 0 DEAARM CC[C@H]1C[C@@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000263131670 145328158 /nfs/dbraw/zinc/32/81/58/145328158.db2.gz CYWNRJWPHPKKLD-KBPBESRZSA-N -1 0 306.362 2.142 50 0 DEAARM COc1cc(S(=O)(=O)[N-]c2ccccc2OC)ccc1N ZINC000003210859 401722661 /nfs/dbraw/zinc/72/26/61/401722661.db2.gz XHQXINKGJVEXNI-UHFFFAOYSA-N -1 0 308.359 2.087 50 0 DEAARM CC1=NN2C(=NC(C(F)(F)F)(C(F)(F)F)[N-]C2=O)S1 ZINC000004823889 401727533 /nfs/dbraw/zinc/72/75/33/401727533.db2.gz XVBDNTRUFAIPNR-UHFFFAOYSA-N -1 0 306.191 2.473 50 0 DEAARM CC(=O)Nc1cccc([N-]S(=O)(=O)c2c(C)noc2C)c1 ZINC000007053990 401735733 /nfs/dbraw/zinc/73/57/33/401735733.db2.gz CNLXXDMVAJCUOX-UHFFFAOYSA-N -1 0 309.347 2.051 50 0 DEAARM COc1ccccc1OCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000000075223 401687773 /nfs/dbraw/zinc/68/77/73/401687773.db2.gz YLLOKMNYWINSCJ-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000000082321 401687819 /nfs/dbraw/zinc/68/78/19/401687819.db2.gz XUXHTDUSPXYCAR-UHFFFAOYSA-N -1 0 315.347 2.475 50 0 DEAARM COc1ccccc1NC(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000000132000 401688395 /nfs/dbraw/zinc/68/83/95/401688395.db2.gz YOXJRLFJWYEJRL-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM O=C([O-])CN1N=C(c2ccncc2)C[C@@H]1Cc1ccc(F)cc1 ZINC000071863888 401688675 /nfs/dbraw/zinc/68/86/75/401688675.db2.gz VEDAQAUNRQWMQU-HNNXBMFYSA-N -1 0 313.332 2.326 50 0 DEAARM CC1CCN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)CC1 ZINC000000167126 401688782 /nfs/dbraw/zinc/68/87/82/401688782.db2.gz WZEXWIYKHTXCPO-QPJJXVBHSA-N -1 0 309.387 2.205 50 0 DEAARM O=C([O-])CCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 ZINC000000190034 401689698 /nfs/dbraw/zinc/68/96/98/401689698.db2.gz SEYVCRCUKLUGKP-UHFFFAOYSA-N -1 0 310.313 2.224 50 0 DEAARM COc1ccc(Br)cc1[C@H]1N[C@@H](C(=O)[O-])CS1 ZINC000000205148 401690283 /nfs/dbraw/zinc/69/02/83/401690283.db2.gz XIIXYYUMGBJWCR-SCZZXKLOSA-N -1 0 318.192 2.246 50 0 DEAARM Cc1ccc2c(c1)N(S(=O)(=O)c1c[nH]c(C(=O)[O-])c1)CCC2 ZINC000071894500 401693333 /nfs/dbraw/zinc/69/33/33/401693333.db2.gz DABBYHGAZFWELX-UHFFFAOYSA-N -1 0 320.370 2.163 50 0 DEAARM O=C(Oc1ccccc1)c1c(Cl)cccc1P(=O)([O-])[O-] ZINC000002311110 401713070 /nfs/dbraw/zinc/71/30/70/401713070.db2.gz JOGSEHLNNOFGKW-UHFFFAOYSA-N -1 0 312.645 2.362 50 0 DEAARM CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1 ZINC000002619131 401715475 /nfs/dbraw/zinc/71/54/75/401715475.db2.gz RGXSXUSBUMPDPV-UHFFFAOYSA-N -1 0 319.338 2.388 50 0 DEAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C)cc2O)cc1 ZINC000002637430 401716065 /nfs/dbraw/zinc/71/60/65/401716065.db2.gz XRZBXVCFJFEBDB-UHFFFAOYSA-N -1 0 320.370 2.460 50 0 DEAARM COc1cccc(OC)c1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000013166233 401797139 /nfs/dbraw/zinc/79/71/39/401797139.db2.gz ITBAVUFFUYPINB-UHFFFAOYSA-N -1 0 315.325 2.332 50 0 DEAARM Cc1cc(C)c(OCC(=O)N2CCC(C(=O)[O-])CC2)c(C)c1 ZINC000013167193 401797768 /nfs/dbraw/zinc/79/77/68/401797768.db2.gz WHGIVGCGEKYGNO-UHFFFAOYSA-N -1 0 305.374 2.314 50 0 DEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(-c3ccno3)cc2)n1 ZINC000013642340 401802263 /nfs/dbraw/zinc/80/22/63/401802263.db2.gz LZJPQJNLTITLQX-UHFFFAOYSA-N -1 0 312.285 2.026 50 0 DEAARM CC(C)Oc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000008594232 401753805 /nfs/dbraw/zinc/75/38/05/401753805.db2.gz HBYZGZANTCLNIT-GFCCVEGCSA-N -1 0 300.318 2.049 50 0 DEAARM CC[C@]1(C(=O)OC)C[C@H](C(=O)[O-])[C@H](c2ccc(F)cc2)N1C ZINC000008730129 401755846 /nfs/dbraw/zinc/75/58/46/401755846.db2.gz VKNSHFZHNUXUHI-HEHGZKQESA-N -1 0 309.337 2.225 50 0 DEAARM O=C(Cc1c(=O)[nH]c2ccccc2c1[O-])NCCc1ccccc1 ZINC000009328772 401761018 /nfs/dbraw/zinc/76/10/18/401761018.db2.gz SDMMMYROYOIASM-UHFFFAOYSA-N -1 0 322.364 2.135 50 0 DEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc(F)c1 ZINC000009467851 401763048 /nfs/dbraw/zinc/76/30/48/401763048.db2.gz PDKNHSVUDXIXIR-UHFFFAOYSA-N -1 0 309.318 2.413 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)cc1OC ZINC000011615634 401774991 /nfs/dbraw/zinc/77/49/91/401774991.db2.gz GHEWNLSIQWMFGH-UHFFFAOYSA-N -1 0 314.388 2.270 50 0 DEAARM O=C([O-])c1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 ZINC000011689966 401775725 /nfs/dbraw/zinc/77/57/25/401775725.db2.gz AZLNVQQEXFVXAA-CQSZACIVSA-N -1 0 311.293 2.105 50 0 biogenic DEAARM CC(=O)Nc1ncc(S(=O)(=O)[N-]c2ccc(F)cc2)s1 ZINC000012379805 401784331 /nfs/dbraw/zinc/78/43/31/401784331.db2.gz OQSAWYASNXZOLT-UHFFFAOYSA-N -1 0 315.351 2.041 50 0 DEAARM Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)o1 ZINC000013089527 401796430 /nfs/dbraw/zinc/79/64/30/401796430.db2.gz WIGLIIWRYWSMRD-JTQLQIEISA-N -1 0 309.343 2.326 50 0 DEAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cccc(OC)c2)c1C ZINC000028577452 401852698 /nfs/dbraw/zinc/85/26/98/401852698.db2.gz BNHAMKNLUTVWAC-UHFFFAOYSA-N -1 0 309.391 2.329 50 0 DEAARM O=C([O-])C1(NC(=O)C2=NO[C@H](c3ccccc3)C2)CCCC1 ZINC000078702916 401862492 /nfs/dbraw/zinc/86/24/92/401862492.db2.gz CTRUHTWGENTZHT-ZDUSSCGKSA-N -1 0 302.330 2.018 50 0 DEAARM CC(C)C[C@H](NC(=O)Cn1ccc2ccc(F)cc21)C(=O)[O-] ZINC000032088316 401876399 /nfs/dbraw/zinc/87/63/99/401876399.db2.gz AOPQEWDGMJQPLO-ZDUSSCGKSA-N -1 0 306.337 2.396 50 0 DEAARM Cc1csc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)n1 ZINC000032904484 401885465 /nfs/dbraw/zinc/88/54/65/401885465.db2.gz RAGXKKCAUQVXIS-UHFFFAOYSA-N -1 0 311.388 2.075 50 0 DEAARM O=C(N[C@H]1c2ccccc2C[C@H]1O)c1c([O-])cc(F)cc1F ZINC000081702395 401898465 /nfs/dbraw/zinc/89/84/65/401898465.db2.gz NHDHPLBRNRSUNP-HIFRSBDPSA-N -1 0 305.280 2.059 50 0 DEAARM CS(=O)(=O)c1cccc(OCc2cccc(C(=O)[O-])c2)c1 ZINC000037369446 401912630 /nfs/dbraw/zinc/91/26/30/401912630.db2.gz UBOSAMZMIBILCS-UHFFFAOYSA-N -1 0 306.339 2.367 50 0 DEAARM CCOc1ccc(CCC(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000136463076 401968480 /nfs/dbraw/zinc/96/84/80/401968480.db2.gz KFZIVQJCQUJFBO-HNNXBMFYSA-N -1 0 305.374 2.484 50 0 DEAARM CCc1ccc(-c2cn([C@H](Cc3ccco3)C(=O)[O-])nn2)nc1 ZINC000095371912 402029080 /nfs/dbraw/zinc/02/90/80/402029080.db2.gz GKWKOMDMTWDYHI-OAHLLOKOSA-N -1 0 312.329 2.364 50 0 DEAARM CCc1cc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)on1 ZINC000095969731 402038544 /nfs/dbraw/zinc/03/85/44/402038544.db2.gz LOUOFTCOWMAROA-UHFFFAOYSA-N -1 0 302.330 2.184 50 0 DEAARM C[C@](NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)(C(=O)[O-])C1CC1 ZINC000095989585 402043325 /nfs/dbraw/zinc/04/33/25/402043325.db2.gz AUVSCOCFNSJTFA-OHUAYANFSA-N -1 0 309.312 2.438 50 0 DEAARM Cc1c(C(=O)N2CCC[C@H](C(=O)[O-])C2)cnn1-c1ccccc1 ZINC000096402352 402077741 /nfs/dbraw/zinc/07/77/41/402077741.db2.gz RBLHPUMVDHOFCQ-ZDUSSCGKSA-N -1 0 313.357 2.118 50 0 DEAARM CCSc1nc(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000055342776 402080706 /nfs/dbraw/zinc/08/07/06/402080706.db2.gz GNKWAUWXFYGPEE-SECBINFHSA-N -1 0 314.432 2.121 50 0 DEAARM CNc1[n-]n2c(nc(C)cc2=O)c1-c1nc(-c2ccccc2)no1 ZINC000057354753 402093718 /nfs/dbraw/zinc/09/37/18/402093718.db2.gz IMDYBJVJYZZZIY-UHFFFAOYSA-N -1 0 322.328 2.090 50 0 DEAARM CCc1noc(CC)c1CC(=O)NC1(C(=O)[O-])CCC(C)CC1 ZINC000097036133 402100719 /nfs/dbraw/zinc/10/07/19/402100719.db2.gz IKKBVIFHZVIYTD-UHFFFAOYSA-N -1 0 322.405 2.492 50 0 DEAARM CSC(C)(C)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000097056871 402103333 /nfs/dbraw/zinc/10/33/33/402103333.db2.gz DVSKLZMXQWFDPY-LBPRGKRZSA-N -1 0 310.419 2.123 50 0 DEAARM Cc1nnc2c(S(=O)(=O)[N-]c3ccc(Cl)cc3)cccn12 ZINC000098212162 402139391 /nfs/dbraw/zinc/13/93/91/402139391.db2.gz UTAYEZXTALSNSJ-UHFFFAOYSA-N -1 0 322.777 2.492 50 0 DEAARM CCn1c(=O)c2ccc(C(=O)N[C@@H](C)C(C)C)cc2[n-]c1=S ZINC000101788788 402155616 /nfs/dbraw/zinc/15/56/16/402155616.db2.gz ISYNTAPXZRIKBR-JTQLQIEISA-N -1 0 319.430 2.479 50 0 DEAARM O=C([O-])c1csc(CNC(=O)C2(c3ccccc3F)CC2)n1 ZINC000124335825 402174769 /nfs/dbraw/zinc/17/47/69/402174769.db2.gz NZGIOIIZANIPBC-UHFFFAOYSA-N -1 0 320.345 2.328 50 0 DEAARM Cc1n[nH]c(C)c1[C@@H](NC(=O)c1nccc2ccccc21)C(=O)[O-] ZINC000067871906 402176876 /nfs/dbraw/zinc/17/68/76/402176876.db2.gz VCNPILMABZRSMC-OAHLLOKOSA-N -1 0 324.340 2.130 50 0 DEAARM C[C@@H](C(=O)[O-])n1c(=O)[nH]nc1C(c1ccccc1)c1ccccc1 ZINC000067880480 402177627 /nfs/dbraw/zinc/17/76/27/402177627.db2.gz BNNCHVBDYNWDEE-LBPRGKRZSA-N -1 0 323.352 2.397 50 0 DEAARM CN(Cc1ccccc1OC(F)(F)F)C(=O)C1(C(=O)[O-])CC1 ZINC000154774724 402231196 /nfs/dbraw/zinc/23/11/96/402231196.db2.gz RUPVBTQVWBPICN-UHFFFAOYSA-N -1 0 317.263 2.408 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCCn2ccnc2)[C@H]1c1ccsc1 ZINC000069632862 402235847 /nfs/dbraw/zinc/23/58/47/402235847.db2.gz TVSNEYZGWQJQCS-JSGCOSHPSA-N -1 0 319.386 2.009 50 0 DEAARM Cc1ccccc1S(=O)(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000070463090 402261825 /nfs/dbraw/zinc/26/18/25/402261825.db2.gz COZYNQYWJHJZAA-ZDUSSCGKSA-N -1 0 311.403 2.261 50 0 DEAARM CCCCN(C)S(=O)(=O)Nc1cccc(C)c1C(=O)[O-] ZINC000071171242 402271021 /nfs/dbraw/zinc/27/10/21/402271021.db2.gz CPGNEWCLOZFLDF-UHFFFAOYSA-N -1 0 300.380 2.082 50 0 DEAARM Cc1nnc(-c2ccccc2NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)o1 ZINC000071285508 402272356 /nfs/dbraw/zinc/27/23/56/402272356.db2.gz ZPNIIJWHFZXZBC-VXGBXAGGSA-N -1 0 315.329 2.340 50 0 DEAARM O=S(=O)([N-]c1cc(Br)ccn1)c1cccnc1 ZINC000195573279 402273278 /nfs/dbraw/zinc/27/32/78/402273278.db2.gz SSQMZHBZEFQQEX-UHFFFAOYSA-N -1 0 314.164 2.040 50 0 DEAARM O=C(c1ccc(O)cn1)N(Cc1ccncc1)C[C@@H]1CCCO1 ZINC000215953529 402285554 /nfs/dbraw/zinc/28/55/54/402285554.db2.gz IGYDDNDJMUKKMO-HNNXBMFYSA-N -1 0 313.357 2.004 50 0 DEAARM COc1ccc(CN(C)Cc2snnc2C)cc1C(=O)[O-] ZINC000220668047 402301998 /nfs/dbraw/zinc/30/19/98/402301998.db2.gz KCRHKAMIOVCYQS-UHFFFAOYSA-N -1 0 307.375 2.185 50 0 DEAARM CO[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)c1ccccc1 ZINC000225448191 402317724 /nfs/dbraw/zinc/31/77/24/402317724.db2.gz RSTJULYKWYHPEV-INIZCTEOSA-N -1 0 313.353 2.431 50 0 DEAARM Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000236726186 402378242 /nfs/dbraw/zinc/37/82/42/402378242.db2.gz SSTFHTSFPCHMQY-ZDUSSCGKSA-N -1 0 305.374 2.430 50 0 DEAARM COc1cc(C2(C(=O)N(C)C[C@H](C)C(=O)[O-])CC2)ccc1C ZINC000237306361 402403601 /nfs/dbraw/zinc/40/36/01/402403601.db2.gz ZBIPRRNETGUMQY-LBPRGKRZSA-N -1 0 305.374 2.214 50 0 DEAARM C[C@H](Cc1ccccc1F)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237557443 402412616 /nfs/dbraw/zinc/41/26/16/402412616.db2.gz GDLKPAHMRAMBBX-GFCCVEGCSA-N -1 0 323.364 2.097 50 0 DEAARM O=C([O-])[C@@H](NC(=O)CCn1cnc2ccccc21)c1ccccc1 ZINC000237992597 402430586 /nfs/dbraw/zinc/43/05/86/402430586.db2.gz OBDYVKYBWWTZQC-KRWDZBQOSA-N -1 0 323.352 2.369 50 0 DEAARM C[C@H](CNC(=O)c1n[n-]c(=S)s1)N(C)c1ccccc1 ZINC000241630919 402443568 /nfs/dbraw/zinc/44/35/68/402443568.db2.gz PMOHDVQODCDLTH-SECBINFHSA-N -1 0 308.432 2.082 50 0 DEAARM O=C(Nc1n[nH]c(C(F)(F)F)n1)c1n[nH]c2c1CCCCC2 ZINC000190177702 402581849 /nfs/dbraw/zinc/58/18/49/402581849.db2.gz VXCYMIYRAMQCCY-UHFFFAOYSA-N -1 0 314.271 2.068 50 0 DEAARM Cn1cccc1C(=O)N[C@H](C(=O)[O-])c1ccc(Cl)c(F)c1 ZINC000181894836 402660165 /nfs/dbraw/zinc/66/01/65/402660165.db2.gz PTWTUJAIFJSWJK-LBPRGKRZSA-N -1 0 310.712 2.373 50 0 DEAARM Cc1ccc([C@@H](C(=O)N2CCC(C)(C(=O)[O-])CC2)N(C)C)cc1 ZINC000252501282 402656799 /nfs/dbraw/zinc/65/67/99/402656799.db2.gz UDKFVTSKOREFLZ-HNNXBMFYSA-N -1 0 318.417 2.311 50 0 DEAARM CCc1nnc(C)cc1C(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261606368 402714422 /nfs/dbraw/zinc/71/44/22/402714422.db2.gz AJRVUEOEKAXXNC-DFBGVHRSSA-N -1 0 317.389 2.205 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc2O1 ZINC000261621294 402714975 /nfs/dbraw/zinc/71/49/75/402714975.db2.gz AWLXSKXHPLBNRJ-IUODEOHRSA-N -1 0 319.357 2.072 50 0 DEAARM CC(C)c1cc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])[nH]n1 ZINC000262479494 402726052 /nfs/dbraw/zinc/72/60/52/402726052.db2.gz XVUDVCOSKNZGDG-HONMWMINSA-N -1 0 305.378 2.391 50 0 DEAARM C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)[C@@H]1CCO[C@H](C)C1 ZINC000262999729 402740273 /nfs/dbraw/zinc/74/02/73/402740273.db2.gz RBMCLWLHRXZQSI-VNHYZAJKSA-N -1 0 305.374 2.303 50 0 DEAARM Cc1ncsc1C(=O)N[C@H](C)c1ccc(OCC(=O)[O-])cc1 ZINC000263010321 402740751 /nfs/dbraw/zinc/74/07/51/402740751.db2.gz LMXZYFYSRQWWKY-SECBINFHSA-N -1 0 320.370 2.406 50 0 DEAARM Cc1cccc([C@H](NC(=O)[C@@H]2CCO[C@H](C)C2)C(=O)[O-])c1C ZINC000263165953 402745982 /nfs/dbraw/zinc/74/59/82/402745982.db2.gz VUVULKXHUZLLIO-KYOSRNDESA-N -1 0 305.374 2.360 50 0 DEAARM CO[C@@H](C(=O)N1CCC[C@H](CCC(=O)[O-])C1)c1ccccc1 ZINC000192912910 402756358 /nfs/dbraw/zinc/75/63/58/402756358.db2.gz MHJZCKCQNDZTOK-CZUORRHYSA-N -1 0 305.374 2.478 50 0 DEAARM COc1ccc(-c2ccnc(N(C)C[C@@H](C)C(=O)[O-])n2)cc1 ZINC000263542225 402779642 /nfs/dbraw/zinc/77/96/42/402779642.db2.gz DQGOGCPJHFJQII-LLVKDONJSA-N -1 0 301.346 2.309 50 0 DEAARM C[C@@H]1CC[C@@H]2C(=O)N([C@H](CC(=O)[O-])c3ccco3)C(=O)[C@H]2C1 ZINC000245257200 296665500 /nfs/dbraw/zinc/66/55/00/296665500.db2.gz WWVINSFHAZLOQY-NOOOWODRSA-N -1 0 305.330 2.217 50 0 DEAARM Cc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])sc2cccc(F)c12 ZINC000268968930 403121693 /nfs/dbraw/zinc/12/16/93/403121693.db2.gz FQYPYGCCUAFEKA-JTQLQIEISA-N -1 0 323.345 2.274 50 0 DEAARM C[C@H](C(=O)NC1(CC(=O)[O-])CCCCC1)n1cc(Cl)cn1 ZINC000299764146 403568081 /nfs/dbraw/zinc/56/80/81/403568081.db2.gz UJHRHEUKRQJJLS-SNVBAGLBSA-N -1 0 313.785 2.391 50 0 DEAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)c3ccsc3)C2)n1 ZINC000426643059 405372881 /nfs/dbraw/zinc/37/28/81/405372881.db2.gz VHEFBXAEIULVHG-NSHDSACASA-N -1 0 319.386 2.049 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2cccc([C@H]3CCOC3)c2)CC1 ZINC000634804990 406292141 /nfs/dbraw/zinc/29/21/41/406292141.db2.gz ACXMSMDUCVULOV-HNNXBMFYSA-N -1 0 303.358 2.127 50 0 DEAARM Cc1cnn(CCC(=O)Nc2cccc([C@@H](C)C(=O)[O-])c2)c1 ZINC000414458045 228485997 /nfs/dbraw/zinc/48/59/97/228485997.db2.gz VWDYROUSBQRWOQ-GFCCVEGCSA-N -1 0 301.346 2.408 50 0 DEAARM COc1cc(C)ccc1OCCC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000299741323 229377238 /nfs/dbraw/zinc/37/72/38/229377238.db2.gz DRZPDAIGQXMSHX-QGZVFWFLSA-N -1 0 321.373 2.096 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000299750019 229393438 /nfs/dbraw/zinc/39/34/38/229393438.db2.gz MKIPVHCOFIFAHL-VHSXEESVSA-N -1 0 304.371 2.066 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1 ZINC000044907713 424813677 /nfs/dbraw/zinc/81/36/77/424813677.db2.gz BAGMLQKIJFTRLI-UHFFFAOYSA-N -1 0 321.354 2.331 50 0 DEAARM CCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000049306724 424836875 /nfs/dbraw/zinc/83/68/75/424836875.db2.gz JQEJMZVMQGYPMF-UHFFFAOYSA-N -1 0 301.755 2.263 50 0 DEAARM C[C@@H]1Cc2cc(C(=O)N(CCC(=O)[O-])CC3CC3)ccc2O1 ZINC000659124158 425530494 /nfs/dbraw/zinc/53/04/94/425530494.db2.gz KQDFYYVLSOTFRR-LLVKDONJSA-N -1 0 303.358 2.337 50 0 DEAARM CO[C@@](C)(C(=O)[O-])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000663092057 425795818 /nfs/dbraw/zinc/79/58/18/425795818.db2.gz SOKCLGHYJGGMOQ-OAHLLOKOSA-N -1 0 309.366 2.276 50 0 DEAARM CC(C)Oc1cncc(C(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000507278179 269316052 /nfs/dbraw/zinc/31/60/52/269316052.db2.gz JYNFOPBGFQWWEK-UHFFFAOYSA-N -1 0 306.362 2.242 50 0 DEAARM CC(=O)N1[C@@H](c2c(F)cc(F)cc2F)SC[C@@H]1C(=O)[O-] ZINC000000031821 278074996 /nfs/dbraw/zinc/07/49/96/278074996.db2.gz RGNOXUJJWODZFC-MWLCHTKSSA-N -1 0 305.277 2.151 50 0 DEAARM CC(C)(C)OC(=O)[C@@H]1N[C@@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000039351851 278451010 /nfs/dbraw/zinc/45/10/10/278451010.db2.gz AVCAAQIORRKXMZ-TZMCWYRMSA-N -1 0 316.357 2.150 50 0 DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000003881820 280608201 /nfs/dbraw/zinc/60/82/01/280608201.db2.gz GSGREUANUSWPFE-BASYENTBSA-N -1 0 313.353 2.181 50 0 biogenic DEAARM CC1=C(C)C[C@@H](C(=O)Nc2sccc2C(N)=O)[C@H](C(=O)[O-])C1 ZINC000017056032 281662794 /nfs/dbraw/zinc/66/27/94/281662794.db2.gz IUOTZCLCDAGPOC-GHMZBOCLSA-N -1 0 322.386 2.233 50 0 DEAARM CN(C)C(=O)c1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1 ZINC000066345604 289032950 /nfs/dbraw/zinc/03/29/50/289032950.db2.gz PQFRSMHGWUFNBT-UHFFFAOYSA-N -1 0 318.373 2.362 50 0 DEAARM COc1ccc2c(c1OC)C(=O)N1[C@H]2SC(C)(C)[C@@H]1C(=O)[O-] ZINC000002125886 295277499 /nfs/dbraw/zinc/27/74/99/295277499.db2.gz GYHAWRDFSMFCKS-AAEUAGOBSA-N -1 0 323.370 2.137 50 0 DEAARM Cc1cc(C(=O)N(CCC(=O)[O-])C[C@@H]2CCCO2)ccc1F ZINC000237672856 301082619 /nfs/dbraw/zinc/08/26/19/301082619.db2.gz KXRGWFUKPCFVQA-ZDUSSCGKSA-N -1 0 309.337 2.230 50 0 DEAARM Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237630722 302158275 /nfs/dbraw/zinc/15/82/75/302158275.db2.gz QLIVMFTZFGOYNT-HOTGVXAUSA-N -1 0 317.385 2.191 50 0 DEAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237787119 302305862 /nfs/dbraw/zinc/30/58/62/302305862.db2.gz JWGAPMCIPPTSHM-OLZOCXBDSA-N -1 0 323.414 2.252 50 0 DEAARM Cc1cnc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)cn1 ZINC000044915373 302336077 /nfs/dbraw/zinc/33/60/77/302336077.db2.gz CGAOJKBSMSUIIL-GFCCVEGCSA-N -1 0 319.748 2.384 50 0 DEAARM Cc1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)[O-])cc2)o1 ZINC000262842701 302808580 /nfs/dbraw/zinc/80/85/80/302808580.db2.gz HBPNJVBTPKXFLR-QWHCGFSZSA-N -1 0 315.329 2.028 50 0 DEAARM O=C(N[C@H](COCc1ccccc1)c1ccccc1)c1cn[nH]n1 ZINC000096419332 337381947 /nfs/dbraw/zinc/38/19/47/337381947.db2.gz DVRRGHJSBPKAQF-QGZVFWFLSA-N -1 0 322.368 2.493 50 0 DEAARM O=S(=O)([N-]c1ccc(N2CCCCC2)cn1)c1cccnc1 ZINC000096408038 484018946 /nfs/dbraw/zinc/01/89/46/484018946.db2.gz NTDYLHUEHPDVNF-UHFFFAOYSA-N -1 0 318.402 2.268 50 0 DEAARM CC(C)(C(=O)NCC(=O)[O-])c1ccc(OC(F)(F)F)cc1 ZINC000263116428 534320984 /nfs/dbraw/zinc/32/09/84/534320984.db2.gz KCLOPKYTRLPFGB-UHFFFAOYSA-N -1 0 305.252 2.064 50 0 DEAARM Cc1ccc2nnc(CN=c3nc(CC(C)C)[n-]s3)n2c1 ZINC000408523084 534525565 /nfs/dbraw/zinc/52/55/65/534525565.db2.gz GPYREWQISNWSGS-UHFFFAOYSA-N -1 0 302.407 2.122 50 0 DEAARM COc1ccc2cccc(CC(=O)N3CCC[C@H]3C(=O)[O-])c2c1 ZINC000263037800 537039821 /nfs/dbraw/zinc/03/98/21/537039821.db2.gz DIUWKVCKGGKICT-INIZCTEOSA-N -1 0 313.353 2.467 50 0 DEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)CC[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000952886907 792816200 /nfs/dbraw/zinc/81/62/00/792816200.db2.gz ZDXJVRBMXXISDU-ZRUFSTJUSA-N -1 0 323.311 2.246 50 0 DEAARM Cn1cc(C(=O)Nc2ccc(C(=O)[O-])cc2)c(C(F)(F)F)n1 ZINC000095389831 185351273 /nfs/dbraw/zinc/35/12/73/185351273.db2.gz QWJHSEKKOMVNKO-UHFFFAOYSA-N -1 0 313.235 2.389 50 0 DEAARM Cc1nc(C(=O)Nc2ccc(OCC(=O)[O-])cc2C)cs1 ZINC000095425262 185361661 /nfs/dbraw/zinc/36/16/61/185361661.db2.gz SYRLYOYAYARLAV-UHFFFAOYSA-N -1 0 306.343 2.476 50 0 DEAARM CCn1nc(C)c(C(=O)NC[C@@H](C(=O)[O-])c2ccccc2)c1C ZINC000095425549 185361754 /nfs/dbraw/zinc/36/17/54/185361754.db2.gz NKPHZIMDQUFSIR-CQSZACIVSA-N -1 0 315.373 2.118 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](NC(=O)c2ccc(Br)o2)C1 ZINC000097009335 185396812 /nfs/dbraw/zinc/39/68/12/185396812.db2.gz ZMQDCSFVUZMRCO-RQJHMYQMSA-N -1 0 302.124 2.025 50 0 DEAARM O=C([O-])[C@@H](NC(=O)C1=Cc2cc(Cl)ccc2OC1)C1CC1 ZINC000054502539 539342620 /nfs/dbraw/zinc/34/26/20/539342620.db2.gz PYTPLEIYAIBZCH-ZDUSSCGKSA-N -1 0 307.733 2.095 50 0 DEAARM CSc1nn(Cc2cc(-c3ccc(C)cc3)no2)c(=O)[n-]1 ZINC000170088371 197769716 /nfs/dbraw/zinc/76/97/16/197769716.db2.gz KYDKOZZSWBKWIU-UHFFFAOYSA-N -1 0 302.359 2.305 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ncc(Br)s1 ZINC000085409009 539399846 /nfs/dbraw/zinc/39/98/46/539399846.db2.gz HFRHXIFCXQFZSN-RITPCOANSA-N -1 0 319.180 2.201 50 0 DEAARM Cc1cc(Br)ccc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000036829329 301070807 /nfs/dbraw/zinc/07/08/07/301070807.db2.gz NGLSCJVKBNNDBG-NSHDSACASA-N -1 0 312.163 2.447 50 0 DEAARM CCC1(CC)[C@H](OC)C[C@@H]1N(C)C(=O)c1ccnc(C(=O)[O-])c1 ZINC000262788045 282474374 /nfs/dbraw/zinc/47/43/74/282474374.db2.gz MTTVEEZFHSZDSZ-UONOGXRCSA-N -1 0 320.389 2.446 50 0 DEAARM C[C@H](CCC(=O)[O-])NC(=O)c1sccc1Br ZINC000069837576 190825577 /nfs/dbraw/zinc/82/55/77/190825577.db2.gz RDEDHGFYEMAVLP-ZCFIWIBFSA-N -1 0 306.181 2.494 50 0 DEAARM O=C(c1ccncc1[O-])N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000071770918 191030069 /nfs/dbraw/zinc/03/00/69/191030069.db2.gz UEXNHIKYSNSLJX-OAHLLOKOSA-N -1 0 302.305 2.140 50 0 DEAARM O=C([O-])c1cccc(CC2CCN(C(=O)[C@@H]3CCOC3)CC2)c1 ZINC000072158123 191060313 /nfs/dbraw/zinc/06/03/13/191060313.db2.gz AXDRHJJXSKSVAM-MRXNPFEDSA-N -1 0 317.385 2.202 50 0 DEAARM O=c1nc(C[N@H+]2C[C@@H]3[C@H]4CC[C@H](O4)[C@@H]3C2)[n-]c2ccsc21 ZINC000072168306 191066937 /nfs/dbraw/zinc/06/69/37/191066937.db2.gz JGEHKZXUADWFBL-CDJYRKNRSA-N -1 0 303.387 2.006 50 0 DEAARM C[C@@H]1CN(C(=O)CCc2ccnc3ccccc23)C[C@H]1C(=O)[O-] ZINC000263242609 539789574 /nfs/dbraw/zinc/78/95/74/539789574.db2.gz RVDUECDSWCSSJB-IUODEOHRSA-N -1 0 312.369 2.347 50 0 DEAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1ccn2nccc2c1 ZINC000225596215 186281496 /nfs/dbraw/zinc/28/14/96/186281496.db2.gz QSKGOTAGEQSZTA-UHFFFAOYSA-N -1 0 317.370 2.452 50 0 DEAARM C[C@@H](C(=O)N(CC(=O)[O-])C1CCOCC1)c1cccc(F)c1 ZINC000237447888 186290351 /nfs/dbraw/zinc/29/03/51/186290351.db2.gz IFMCWWUVGHUSIP-LLVKDONJSA-N -1 0 309.337 2.021 50 0 DEAARM CC1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)CC1 ZINC000000437698 180790450 /nfs/dbraw/zinc/79/04/50/180790450.db2.gz INPIDDOSVFAGDF-UHFFFAOYSA-N -1 0 317.794 2.459 50 0 DEAARM CC(C)C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)[O-] ZINC000000539688 180817177 /nfs/dbraw/zinc/81/71/77/180817177.db2.gz SARHCKTXYRQWMR-HNNXBMFYSA-N -1 0 319.405 2.018 50 0 DEAARM O=C([O-])CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000003434762 181018982 /nfs/dbraw/zinc/01/89/82/181018982.db2.gz XSYFXXZHIBXOBW-UHFFFAOYSA-N -1 0 311.403 2.269 50 0 DEAARM CC(=O)c1ccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000003658892 181044097 /nfs/dbraw/zinc/04/40/97/181044097.db2.gz IHYGNDCMKCSLQE-UHFFFAOYSA-N -1 0 319.338 2.388 50 0 DEAARM Cc1cc(C)c(NC(=O)CSc2nc([O-])cc(=O)[nH]2)c(C)c1 ZINC000003848914 181049143 /nfs/dbraw/zinc/04/91/43/181049143.db2.gz PHDSTKHUWVYGLG-UHFFFAOYSA-N -1 0 319.386 2.132 50 0 DEAARM CC1(C)[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)[C@H]2CCO[C@@H]21 ZINC000236769872 202001063 /nfs/dbraw/zinc/00/10/63/202001063.db2.gz 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355745142 /nfs/dbraw/zinc/74/51/42/355745142.db2.gz HWUBBWGUEBGPTL-XIZWVBILSA-N -1 0 309.312 2.438 50 0 DEAARM CN(C)c1ccc(S(=O)(=O)[N-]c2cnc(C3CC3)nc2)cc1 ZINC000170617522 355989787 /nfs/dbraw/zinc/98/97/87/355989787.db2.gz KIBDXWHMRSUBRQ-UHFFFAOYSA-N -1 0 318.402 2.221 50 0 DEAARM CSCC[C@H](NC(=O)c1cc2cc(F)ccc2n1C)C(=O)[O-] ZINC000005306646 181228396 /nfs/dbraw/zinc/22/83/96/181228396.db2.gz JECDKWTTWSSGRQ-NSHDSACASA-N -1 0 324.377 2.254 50 0 DEAARM C[C@@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(C4CC4)o3)ccc2O1 ZINC000194733100 356243514 /nfs/dbraw/zinc/24/35/14/356243514.db2.gz NMLNCOOMUPUJDL-MRVPVSSYSA-N -1 0 321.358 2.071 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)C1(c2ccc(F)cc2)CCOCC1 ZINC000237253121 202206550 /nfs/dbraw/zinc/20/65/50/202206550.db2.gz QIBJXZBZKHYATB-UHFFFAOYSA-N -1 0 323.364 2.197 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 ZINC000299741858 304062316 /nfs/dbraw/zinc/06/23/16/304062316.db2.gz HIBJVFYWKHTTGN-TZMCWYRMSA-N -1 0 303.358 2.409 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)C2(c3ccccc3)CCCC2)CCO1 ZINC000170000956 304084084 /nfs/dbraw/zinc/08/40/84/304084084.db2.gz LPHOGBBEWJWSAT-HNNXBMFYSA-N -1 0 317.385 2.201 50 0 DEAARM O=C(c1ccc(F)cc1[O-])N1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000187735836 200151014 /nfs/dbraw/zinc/15/10/14/200151014.db2.gz VAWIJGDDXCXWKZ-FZMZJTMJSA-N -1 0 321.373 2.441 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000237591526 202295391 /nfs/dbraw/zinc/29/53/91/202295391.db2.gz IRVATPPKKFALJE-SNPRPXQTSA-N -1 0 320.389 2.468 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2F)C1 ZINC000237650345 202318499 /nfs/dbraw/zinc/31/84/99/202318499.db2.gz CRVSCPBXJQHLSB-WQGACYEGSA-N -1 0 309.312 2.392 50 0 DEAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H]1CC12CCOCC2 ZINC000237657870 202320013 /nfs/dbraw/zinc/32/00/13/202320013.db2.gz AMTIWJRPUJPCQD-CABCVRRESA-N -1 0 317.385 2.444 50 0 DEAARM Cc1noc(Cl)c1CCC(=O)NC1CCC(C(=O)[O-])CC1 ZINC000237663356 202321966 /nfs/dbraw/zinc/32/19/66/202321966.db2.gz XYZRUSYEAXOYSL-UHFFFAOYSA-N -1 0 314.769 2.329 50 0 DEAARM Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237700595 202332017 /nfs/dbraw/zinc/33/20/17/202332017.db2.gz SIPQNRLTTGSQDL-QGZVFWFLSA-N -1 0 318.348 2.481 50 0 DEAARM Cc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)sc2cccc(F)c12 ZINC000237761169 202348794 /nfs/dbraw/zinc/34/87/94/202348794.db2.gz AXBFMRRKDKAUGF-JTQLQIEISA-N -1 0 323.345 2.274 50 0 DEAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1F ZINC000237842672 202367423 /nfs/dbraw/zinc/36/74/23/202367423.db2.gz MKFMVIJSKZOITJ-UHFFFAOYSA-N -1 0 309.337 2.230 50 0 DEAARM Cc1cn(CC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc12 ZINC000237784771 202354125 /nfs/dbraw/zinc/35/41/25/202354125.db2.gz BFTPDYZDUFFVQW-QGZVFWFLSA-N -1 0 300.358 2.273 50 0 DEAARM O=S(=O)([O-])c1nc2ccccc2n1CCOc1ccccc1 ZINC000006399901 181337706 /nfs/dbraw/zinc/33/77/06/181337706.db2.gz LVUBJNWGQRFCPM-UHFFFAOYSA-N -1 0 318.354 2.362 50 0 DEAARM O=C([O-])[C@@H]1CCCN1S(=O)(=O)c1c(Cl)cccc1Cl ZINC000013027813 304114796 /nfs/dbraw/zinc/11/47/96/304114796.db2.gz PHPLNUKANPATDN-VIFPVBQESA-N -1 0 324.185 2.231 50 0 DEAARM NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cs1 ZINC000006681483 181370299 /nfs/dbraw/zinc/37/02/99/181370299.db2.gz LAKWPQKDSUWVSD-UHFFFAOYSA-N -1 0 316.791 2.301 50 0 DEAARM O=C([O-])[C@@H](O)CCn1cnc(-c2ccccc2)c1-c1ccccn1 ZINC000091745816 193099838 /nfs/dbraw/zinc/09/98/38/193099838.db2.gz NINFANKWLCWUAD-HNNXBMFYSA-N -1 0 323.352 2.448 50 0 DEAARM CNc1nc(C(=O)N2CCC[C@@](CC3CC3)(C(=O)[O-])C2)cs1 ZINC000092046538 193147244 /nfs/dbraw/zinc/14/72/44/193147244.db2.gz MWFBIWJMTMFXCW-HNNXBMFYSA-N -1 0 323.418 2.292 50 0 DEAARM COc1ccccc1C(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000261999193 203170019 /nfs/dbraw/zinc/17/00/19/203170019.db2.gz UVRQYORYLLSBLH-CYBMUJFWSA-N -1 0 317.263 2.174 50 0 DEAARM Cc1noc(C(C)C)c1C(=O)NCCc1nc(C(=O)[O-])cs1 ZINC000262143735 203210568 /nfs/dbraw/zinc/21/05/68/203210568.db2.gz MPXRCWGXBJQEAT-UHFFFAOYSA-N -1 0 323.374 2.234 50 0 DEAARM CCO[C@H]1C[C@](NC(=O)c2ccc(OC)cc2)(C(=O)[O-])C1(C)C ZINC000262693189 203384996 /nfs/dbraw/zinc/38/49/96/203384996.db2.gz CREUFFQZFMUQAP-GUYCJALGSA-N -1 0 321.373 2.083 50 0 DEAARM CCc1cnc(CNC(=O)Cc2ccc(C(=O)[O-])cc2)s1 ZINC000263325694 203456086 /nfs/dbraw/zinc/45/60/86/203456086.db2.gz KIEMPEDMBOSWPB-UHFFFAOYSA-N -1 0 304.371 2.263 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)Cn2ccc3ccc(F)cc32)C1 ZINC000020718016 182243719 /nfs/dbraw/zinc/24/37/19/182243719.db2.gz XIPNNLGREZGJPS-LBPRGKRZSA-N -1 0 304.321 2.104 50 0 DEAARM O=C([O-])CCCNC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000020746161 182245795 /nfs/dbraw/zinc/24/57/95/182245795.db2.gz GKHSXRPAKVTEOU-UHFFFAOYSA-N -1 0 322.361 2.473 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1csc(-c2cccs2)n1 ZINC000037435208 182892477 /nfs/dbraw/zinc/89/24/77/182892477.db2.gz PXRCDJIVVOUWMN-SNVBAGLBSA-N -1 0 322.411 2.490 50 0 DEAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cccc2ccoc21 ZINC000457350467 247753887 /nfs/dbraw/zinc/75/38/87/247753887.db2.gz RTGDNOWEUIGOBM-JTQLQIEISA-N -1 0 311.359 2.307 50 0 DEAARM CCc1cccc(C)c1NC(=O)Cn1cc(C(=O)[O-])ccc1=O ZINC000041670346 183214425 /nfs/dbraw/zinc/21/44/25/183214425.db2.gz SDZOTPUUVLPCOT-UHFFFAOYSA-N -1 0 314.341 2.056 50 0 DEAARM C[C@@H]1CC[C@H](CCC(=O)NCc2cccc(OCC(=O)[O-])c2)O1 ZINC000268899082 207067522 /nfs/dbraw/zinc/06/75/22/207067522.db2.gz BUXYNPYUGJYDKP-TZMCWYRMSA-N -1 0 321.373 2.114 50 0 DEAARM O=C([O-])c1cc2cc(Br)cc3c2n(c1=O)CCC3 ZINC000170622752 304229318 /nfs/dbraw/zinc/22/93/18/304229318.db2.gz GROVIAJQUYKCBI-UHFFFAOYSA-N -1 0 308.131 2.408 50 0 DEAARM CCc1ccc(-c2cc3c(=O)n(CCC(=O)[O-])ccn3n2)cc1 ZINC000057352151 184034961 /nfs/dbraw/zinc/03/49/61/184034961.db2.gz VAFFTSQCDHBZMY-UHFFFAOYSA-N -1 0 311.341 2.200 50 0 DEAARM Cc1ccc(C)c(NC(=O)[C@H](Cc2ccncc2)c2nnn[n-]2)c1 ZINC000057523505 184041086 /nfs/dbraw/zinc/04/10/86/184041086.db2.gz NCQRHAARLDRZNA-CQSZACIVSA-N -1 0 322.372 2.177 50 0 DEAARM 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/nfs/dbraw/zinc/39/88/62/184398862.db2.gz VPDVQIWYLVIDOZ-UHFFFAOYSA-N -1 0 303.746 2.322 50 0 DEAARM CO[C@H](C)c1nnc(SCC(=O)[O-])n1-c1ccc(C)cc1 ZINC000067723957 184482827 /nfs/dbraw/zinc/48/28/27/184482827.db2.gz YMXWVRXFJHCWIF-SNVBAGLBSA-N -1 0 307.375 2.460 50 0 DEAARM O=C([O-])C1(C(=O)N2CC[C@H](Oc3ccccc3Cl)C2)CC1 ZINC000119006342 194954368 /nfs/dbraw/zinc/95/43/68/194954368.db2.gz QXSMTRIKGYSIDH-JTQLQIEISA-N -1 0 309.749 2.185 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3CC=C(Cl)C[C@H]3C2=O)cc1 ZINC000004812748 304246287 /nfs/dbraw/zinc/24/62/87/304246287.db2.gz RSYBDRBOQGBIFC-VXGBXAGGSA-N -1 0 305.717 2.407 50 0 DEAARM C[C@H]1CN(C(=O)c2ccc(F)cc2[O-])CCN1CC(F)(F)F ZINC000156012587 197080041 /nfs/dbraw/zinc/08/00/41/197080041.db2.gz KBGKHHPCAQXAMQ-VIFPVBQESA-N -1 0 320.286 2.240 50 0 DEAARM CC(=O)OC1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000152832058 196827095 /nfs/dbraw/zinc/82/70/95/196827095.db2.gz ZOOMYASKAXAUIU-UHFFFAOYSA-N -1 0 320.370 2.284 50 0 DEAARM O=S(=O)([N-]c1cccc2[nH]ccc21)c1ccc2n[nH]nc2c1 ZINC000225797127 256597486 /nfs/dbraw/zinc/59/74/86/256597486.db2.gz QLPZROWPJIEUMI-UHFFFAOYSA-N -1 0 313.342 2.240 50 0 DEAARM Cn1cc(CC(=O)N2CCCC[C@H]2C(=O)[O-])c2ccccc21 ZINC000237763128 257237488 /nfs/dbraw/zinc/23/74/88/257237488.db2.gz RUIFJQPEVJVLEF-HNNXBMFYSA-N -1 0 300.358 2.187 50 0 DEAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000262499937 145288324 /nfs/dbraw/zinc/28/83/24/145288324.db2.gz YDDYUPOOCFVPRL-SNVBAGLBSA-N -1 0 315.373 2.155 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2ccnn2C2CCCC2)o1 ZINC000262803383 145305987 /nfs/dbraw/zinc/30/59/87/145305987.db2.gz RYTNRCSEIWTLMF-UHFFFAOYSA-N -1 0 303.318 2.219 50 0 DEAARM CC(C)Oc1cccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])n1 ZINC000262932459 145312167 /nfs/dbraw/zinc/31/21/67/145312167.db2.gz KDAKJPUXCZQPKV-ZOWXZIJZSA-N -1 0 318.373 2.194 50 0 DEAARM Cc1cc(C(=O)N2CCC[C@]2(C)C(=O)[O-])ccc1-n1cccn1 ZINC000263182250 145333402 /nfs/dbraw/zinc/33/34/02/145333402.db2.gz 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OCGVAZKVCDXTDU-CQSZACIVSA-N -1 0 302.330 2.090 50 0 DEAARM O=C([O-])CCN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000116388854 401851493 /nfs/dbraw/zinc/85/14/93/401851493.db2.gz QBFKQCFCGWKFJB-GFCCVEGCSA-N -1 0 314.179 2.297 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)n(C)n1 ZINC000078556689 401856301 /nfs/dbraw/zinc/85/63/01/401856301.db2.gz BLJSLJBWHSZILX-UHFFFAOYSA-N -1 0 303.746 2.322 50 0 DEAARM O=C([O-])CN(CC(=O)NCc1ccc(F)cc1)c1ccccc1 ZINC000034926497 401894678 /nfs/dbraw/zinc/89/46/78/401894678.db2.gz UHSLMTSQZZIWFI-UHFFFAOYSA-N -1 0 316.332 2.033 50 0 DEAARM Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C(=O)[O-])C(C)(C)C ZINC000035389877 401899165 /nfs/dbraw/zinc/89/91/65/401899165.db2.gz VPULTWFNWJAFCW-XUIVZRPNSA-N -1 0 313.785 2.011 50 0 DEAARM CC(C)c1nccn1-c1ccc(NC(=O)COCC(=O)[O-])cc1 ZINC000035828033 401900962 /nfs/dbraw/zinc/90/09/62/401900962.db2.gz CPVWSJFWOZDLCS-UHFFFAOYSA-N -1 0 317.345 2.035 50 0 DEAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@H](C(=O)[O-])C(C)C ZINC000036353145 401904358 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311.403 2.445 50 0 DEAARM CN(C(=O)c1cc(C(=O)[O-])ccn1)[C@H]1CCc2ccccc2C1 ZINC000263426448 402768354 /nfs/dbraw/zinc/76/83/54/402768354.db2.gz RJLHPBXTHGVANU-HNNXBMFYSA-N -1 0 310.353 2.409 50 0 DEAARM Cc1ccc(S(=O)(=O)N2C[C@H](C(=O)[O-])CC[C@H]2C)cc1F ZINC000263465261 402771715 /nfs/dbraw/zinc/77/17/15/402771715.db2.gz CMVXTNHSLZEUCX-GHMZBOCLSA-N -1 0 315.366 2.008 50 0 DEAARM Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)c1 ZINC000263505914 402776082 /nfs/dbraw/zinc/77/60/82/402776082.db2.gz MBRCSMHXPGCSCP-OLZOCXBDSA-N -1 0 311.403 2.177 50 0 DEAARM Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@H]3C(=O)[O-])CC2)cc1 ZINC000263522758 402777089 /nfs/dbraw/zinc/77/70/89/402777089.db2.gz IAZVLIPTGKBTHY-LSDHHAIUSA-N -1 0 303.358 2.086 50 0 DEAARM Cn1c(Cc2ccccc2)nc2cc(NC=O)cc(C(=O)[O-])c21 ZINC000299781146 403573293 /nfs/dbraw/zinc/57/32/93/403573293.db2.gz DEZYXURQGZVIGT-UHFFFAOYSA-N -1 0 309.325 2.431 50 0 DEAARM CCC[C@@H]1C[C@H](C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[n-]2)CCO1 ZINC000329154682 404246553 /nfs/dbraw/zinc/24/65/53/404246553.db2.gz CCFCLAAQIPYKGQ-JHJVBQTASA-N -1 0 322.409 2.159 50 0 DEAARM Cc1c2cccc(C)c2n(C)c1C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000426399231 405357520 /nfs/dbraw/zinc/35/75/20/405357520.db2.gz NRJWFZBAXGJBAV-TXEJJXNPSA-N -1 0 300.358 2.388 50 0 DEAARM COc1cc(C)c([N-]S(=O)(=O)c2conc2C)cc1OC ZINC000585119508 405871955 /nfs/dbraw/zinc/87/19/55/405871955.db2.gz JIGTYHOKUMOWMJ-UHFFFAOYSA-N -1 0 312.347 2.109 50 0 DEAARM Cc1nn(C(C)C)cc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000569623157 292430254 /nfs/dbraw/zinc/43/02/54/292430254.db2.gz LTVGGKMOUBNKFM-UHFFFAOYSA-N -1 0 315.373 2.443 50 0 DEAARM C[C@H]1CC[C@@H](CCC(=O)NCCc2ccc(C(=O)[O-])cc2)O1 ZINC000237555522 225211705 /nfs/dbraw/zinc/21/17/05/225211705.db2.gz RDEQTKJBYBZHPB-WFASDCNBSA-N -1 0 305.374 2.391 50 0 DEAARM Cc1cc2sc([N-]S(=O)(=O)c3cnn(C)c3)nc2c(C)c1 ZINC000066246934 418486384 /nfs/dbraw/zinc/48/63/84/418486384.db2.gz NGPLZLWZHKNNPT-UHFFFAOYSA-N -1 0 322.415 2.447 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F ZINC000299752914 229396755 /nfs/dbraw/zinc/39/67/55/229396755.db2.gz VYWCPWCTWAUFBL-IVZWLZJFSA-N -1 0 305.227 2.266 50 0 DEAARM Cc1ncc(CN(C)Cc2nc(=O)c3sccc3[n-]2)s1 ZINC000044972289 424815283 /nfs/dbraw/zinc/81/52/83/424815283.db2.gz BBPWPJNFBIRVDX-UHFFFAOYSA-N -1 0 306.416 2.382 50 0 DEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000227169582 298310159 /nfs/dbraw/zinc/31/01/59/298310159.db2.gz DVIUJYNPXJMKLC-JTQLQIEISA-N -1 0 304.346 2.401 50 0 DEAARM C[C@H](CN(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000095389896 298496025 /nfs/dbraw/zinc/49/60/25/298496025.db2.gz CZUSTCDLSCJLBG-SNVBAGLBSA-N -1 0 307.394 2.308 50 0 DEAARM Cc1ccc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)nc1 ZINC000100621308 301644663 /nfs/dbraw/zinc/64/46/63/301644663.db2.gz VZHXYDWDWWJOPV-UHFFFAOYSA-N -1 0 321.336 2.219 50 0 biogenic DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268885406 301767674 /nfs/dbraw/zinc/76/76/74/301767674.db2.gz BOLVUNGVEYWYII-QXSJWSMHSA-N -1 0 317.385 2.300 50 0 DEAARM O=C(Nc1ccccc1Cn1cncn1)c1c([O-])cccc1F ZINC000120445972 337382912 /nfs/dbraw/zinc/38/29/12/337382912.db2.gz RDALVLPGRQOJEA-UHFFFAOYSA-N -1 0 312.304 2.423 50 0 DEAARM O=C([O-])[C@H](c1c[nH]c2cc(F)ccc21)[N@@H+]1CCC[C@H](C(=O)[O-])C1 ZINC000035105631 518201600 /nfs/dbraw/zinc/20/16/00/518201600.db2.gz ADMWFFKOZSQJTG-XPTSAGLGSA-N -1 0 320.320 2.229 50 0 DEAARM CC[C@](CNC(=O)[C@@H]1CCO[C@H](C)C1)(C(=O)[O-])c1ccccc1 ZINC000262976585 535868474 /nfs/dbraw/zinc/86/84/74/535868474.db2.gz KLBAOCMSLIXCJA-HBUWYVDXSA-N -1 0 319.401 2.350 50 0 DEAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2ccc(F)cc2C)C1 ZINC000262897340 536664423 /nfs/dbraw/zinc/66/44/23/536664423.db2.gz LXISAAJQMLHAOK-INIZCTEOSA-N -1 0 309.337 2.088 50 0 DEAARM COc1cc(/C=C/C(=O)N[C@H](CC(C)C)C(=O)[O-])ccc1O ZINC000016026383 636558048 /nfs/dbraw/zinc/55/80/48/636558048.db2.gz YKXOGYHXPMDNJC-HOSRBBHYSA-N -1 0 307.346 2.030 50 0 DEAARM C[C@](NC(=O)[C@@H]1CC1(Cl)Cl)(C(=O)[O-])c1ccccc1 ZINC000766963486 640932419 /nfs/dbraw/zinc/93/24/19/640932419.db2.gz UOEXUTLHTHRHDN-JOYOIKCWSA-N -1 0 302.157 2.296 50 0 DEAARM Cc1ccccc1-c1ncc(CNCc2n[nH]c(=O)[n-]2)s1 ZINC000952975153 792836523 /nfs/dbraw/zinc/83/65/23/792836523.db2.gz YHLYLKPEYGQXPF-UHFFFAOYSA-N -1 0 301.375 2.232 50 0 DEAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N(C)Cc1cc[nH]n1 ZINC001529158503 1070887294 /nfs/dbraw/zinc/88/72/94/1070887294.db2.gz FMQIXIBSLIZKIR-ZDUSSCGKSA-N -1 0 309.753 2.329 50 0 DEAARM O=C([O-])[C@H]1CCN1C(=O)c1csc(Cc2ccccc2)n1 ZINC000095506186 185375674 /nfs/dbraw/zinc/37/56/74/185375674.db2.gz LPBUCZCJTVFNLH-GFCCVEGCSA-N -1 0 302.355 2.033 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccncc2)[C@@H]1C(=O)[O-] ZINC000096675783 185385196 /nfs/dbraw/zinc/38/51/96/185385196.db2.gz IDUXXYDWGCYHLJ-QWHCGFSZSA-N -1 0 306.362 2.334 50 0 DEAARM Cc1cc2ccccc2n1CCN(C)C(=O)N[C@H](C)C(=O)[O-] ZINC000426485718 230799760 /nfs/dbraw/zinc/79/97/60/230799760.db2.gz QWBTUTTYVPZLHF-GFCCVEGCSA-N -1 0 303.362 2.064 50 0 DEAARM CCOC(=O)[C@@](C)(C(=O)[O-])[C@@H]1CCc2cc(OC)ccc2C1 ZINC000082048694 192353218 /nfs/dbraw/zinc/35/32/18/192353218.db2.gz NYKDPNQDSCCMMR-CXAGYDPISA-N -1 0 306.358 2.454 50 0 DEAARM CCCc1noc(CCCC(=O)NC2CCC(C(=O)[O-])CC2)n1 ZINC000095425226 185361703 /nfs/dbraw/zinc/36/17/03/185361703.db2.gz ZLASJHNAGSWEGK-UHFFFAOYSA-N -1 0 323.393 2.104 50 0 DEAARM C[C@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095425524 185361708 /nfs/dbraw/zinc/36/17/08/185361708.db2.gz UJGWENIDCALSSB-NSHDSACASA-N -1 0 320.389 2.193 50 0 DEAARM C[C@@H](CNC(=O)Cc1ccccc1C(F)(F)F)CC(=O)[O-] ZINC000170068045 197767063 /nfs/dbraw/zinc/76/70/63/197767063.db2.gz LCQWEULLWQVANI-SECBINFHSA-N -1 0 303.280 2.475 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(CCc2cccnc2)[C@@H]1c1ccsc1 ZINC000069665056 190804427 /nfs/dbraw/zinc/80/44/27/190804427.db2.gz JALKTRFAMWEDJY-UKRRQHHQSA-N -1 0 316.382 2.360 50 0 DEAARM Cc1oc(CNC(=O)c2ncccc2OC(C)C)cc1C(=O)[O-] ZINC000190924213 539697747 /nfs/dbraw/zinc/69/77/47/539697747.db2.gz DZNHITJHCZMBHW-UHFFFAOYSA-N -1 0 318.329 2.398 50 0 DEAARM O=C([O-])C[C@@H]1COCCN1C(=O)c1ccc2sccc2c1 ZINC000072125286 191041971 /nfs/dbraw/zinc/04/19/71/191041971.db2.gz OFYKOURUJGBIRM-GFCCVEGCSA-N -1 0 305.355 2.217 50 0 DEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(C)n2C)cc1 ZINC000072240546 191084438 /nfs/dbraw/zinc/08/44/38/191084438.db2.gz XCLXGBRXWACKSM-CQSZACIVSA-N -1 0 316.357 2.288 50 0 DEAARM Cc1c(-c2cc(C)nc3ncnn32)c(=O)[n-]n1-c1ccccc1 ZINC000072333073 191125053 /nfs/dbraw/zinc/12/50/53/191125053.db2.gz CEVNEGYBNIDEGA-UHFFFAOYSA-N -1 0 306.329 2.299 50 0 DEAARM COC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000000473744 180801950 /nfs/dbraw/zinc/80/19/50/180801950.db2.gz RBYLPSAYGSXZIO-QWRGUYRKSA-N -1 0 303.314 2.079 50 0 DEAARM CCOc1ccc(/C=C\C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000317632631 282879915 /nfs/dbraw/zinc/87/99/15/282879915.db2.gz WNVXNXUVWSOBHV-YHAOYDPOSA-N -1 0 303.358 2.422 50 0 DEAARM Cc1cc(C)c(C)c(S(=O)(=O)N[C@@H](C(=O)[O-])C(C)C)c1C ZINC000003374959 181012989 /nfs/dbraw/zinc/01/29/89/181012989.db2.gz FSSJWNVCOOWYHL-CYBMUJFWSA-N -1 0 313.419 2.308 50 0 DEAARM CC(C)(C)n1nc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1C1CC1 ZINC000236770690 202001721 /nfs/dbraw/zinc/00/17/21/202001721.db2.gz XZIAXXHXCHWQFA-NSHDSACASA-N -1 0 305.378 2.062 50 0 DEAARM CCOc1ccccc1OCCCC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000033460867 354159088 /nfs/dbraw/zinc/15/90/88/354159088.db2.gz PTCAOIBMIVZQEL-CYBMUJFWSA-N -1 0 321.373 2.320 50 0 DEAARM CN1C(=O)N/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)C1=O ZINC000004813657 181155377 /nfs/dbraw/zinc/15/53/77/181155377.db2.gz XIXFGSCSDMMNIM-XYOKQWHBSA-N -1 0 312.281 2.167 50 0 DEAARM O=C([O-])C(=O)Nc1c(Cl)nc(-c2ccccc2)nc1Cl ZINC000075249838 355077058 /nfs/dbraw/zinc/07/70/58/355077058.db2.gz BONMKDKJPMYEEE-UHFFFAOYSA-N -1 0 312.112 2.474 50 0 DEAARM CCc1nnc(C)cc1C(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000391233566 540136808 /nfs/dbraw/zinc/13/68/08/540136808.db2.gz IUQBIBDIQGSOSY-QGZVFWFLSA-N -1 0 313.357 2.077 50 0 DEAARM CCCc1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccccc2)[nH]n1 ZINC000097160150 355702086 /nfs/dbraw/zinc/70/20/86/355702086.db2.gz HNHVIMPSUPLBFR-ZDUSSCGKSA-N -1 0 301.346 2.308 50 0 DEAARM CCCc1ccc(S(=O)(=O)[N-]c2cccn3ncnc23)cc1 ZINC000097944639 355706918 /nfs/dbraw/zinc/70/69/18/355706918.db2.gz DYOXADVEJJRMJY-UHFFFAOYSA-N -1 0 316.386 2.483 50 0 DEAARM Cc1ccccc1[C@@H]1[C@@H](C(=O)[O-])CCC(=O)N1C[C@H]1CCOC1 ZINC000106905676 355726630 /nfs/dbraw/zinc/72/66/30/355726630.db2.gz PMQIUZOFXICROE-UKPHBRMFSA-N -1 0 317.385 2.396 50 0 DEAARM CC(C)CC(=O)[N-]S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000170605078 355987980 /nfs/dbraw/zinc/98/79/80/355987980.db2.gz KOHFQLRIPPRRAC-UHFFFAOYSA-N -1 0 307.774 2.471 50 0 DEAARM CCn1nc(C)c(C(=O)NCc2cccc(C(=O)[O-])c2)c1Cl ZINC000195541941 356256370 /nfs/dbraw/zinc/25/63/70/356256370.db2.gz AFNXTWMGCAMHIL-UHFFFAOYSA-N -1 0 321.764 2.493 50 0 DEAARM CN(C)c1ccc(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)cn1 ZINC000237115782 202156953 /nfs/dbraw/zinc/15/69/53/202156953.db2.gz QMKXDNFHNVGCOX-UBHSHLNASA-N -1 0 317.389 2.006 50 0 DEAARM CN(CC(=O)[O-])C(=O)/C=C/C1=Cc2cc(Cl)ccc2OC1 ZINC000237131919 202162812 /nfs/dbraw/zinc/16/28/12/202162812.db2.gz QBERMMHZLRLSIM-GORDUTHDSA-N -1 0 307.733 2.215 50 0 DEAARM COc1ccc(CC(=O)N2CCC(C(=O)[O-])CC2)c(Cl)c1 ZINC000237173266 202175828 /nfs/dbraw/zinc/17/58/28/202175828.db2.gz NIXQFZQWMPGIFB-UHFFFAOYSA-N -1 0 311.765 2.214 50 0 DEAARM COc1ccc(C)cc1/C=C/C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000237177182 202176258 /nfs/dbraw/zinc/17/62/58/202176258.db2.gz DZZQUBFGBRZPJV-UABRLCRWSA-N -1 0 303.358 2.340 50 0 DEAARM COc1ccccc1C[C@H](CNC(=O)C1CC=CC1)C(=O)[O-] ZINC000237261223 202208995 /nfs/dbraw/zinc/20/89/95/202208995.db2.gz PWQMWZYCZISDLN-CQSZACIVSA-N -1 0 303.358 2.021 50 0 DEAARM O=C([O-])c1cc(NC[C@H](O)C23CC4CC(CC(C4)C2)C3)ccn1 ZINC000584887200 357326380 /nfs/dbraw/zinc/32/63/80/357326380.db2.gz WDBAHCRNRRLVIE-CYPWDGBBSA-N -1 0 316.401 2.191 50 0 DEAARM O=C([O-])[C@]1(Cc2ccccc2)CCCN1C(=O)C[C@@H]1CCCO1 ZINC000585134449 357336107 /nfs/dbraw/zinc/33/61/07/357336107.db2.gz UKMKZBYOGFVGCA-MAUKXSAKSA-N -1 0 317.385 2.244 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ncoc2C(F)(F)F)C1 ZINC000585134860 357336507 /nfs/dbraw/zinc/33/65/07/357336507.db2.gz MKGQGLKEEKTAFM-QMMMGPOBSA-N -1 0 320.267 2.410 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)[C@H]1CCCc2c(O)cccc21 ZINC000585134325 357336548 /nfs/dbraw/zinc/33/65/48/357336548.db2.gz NDRADLCITWXLHK-UONOGXRCSA-N -1 0 303.358 2.278 50 0 DEAARM CC(C)n1cnc(S(=O)(=O)[N-]c2ccccc2/C=C/CO)c1 ZINC000585140598 357337980 /nfs/dbraw/zinc/33/79/80/357337980.db2.gz HISZETZENBNBRO-FNORWQNLSA-N -1 0 321.402 2.270 50 0 DEAARM COc1cc(C2(C(=O)N3CCC(C(=O)[O-])CC3)CC2)ccc1C ZINC000237286401 202218162 /nfs/dbraw/zinc/21/81/62/202218162.db2.gz SGVPQFROWSASAV-UHFFFAOYSA-N -1 0 317.385 2.358 50 0 DEAARM COc1cccc2c(C)c(C(=O)N3CC[C@H](C(=O)[O-])C3)oc21 ZINC000237347782 202240191 /nfs/dbraw/zinc/24/01/91/202240191.db2.gz RUQUDWPFRKUFBE-JTQLQIEISA-N -1 0 303.314 2.297 50 0 DEAARM Cc1cc(C)cc(NC(=O)CSc2nnc(C)c(=O)[n-]2)c1 ZINC000005941272 181299599 /nfs/dbraw/zinc/29/95/99/181299599.db2.gz RYULCWOGIJPAIN-UHFFFAOYSA-N -1 0 304.375 2.233 50 0 DEAARM Cc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237636705 202311810 /nfs/dbraw/zinc/31/18/10/202311810.db2.gz QLIVMFTZFGOYNT-JKSUJKDBSA-N -1 0 317.385 2.191 50 0 DEAARM Cc1ccc(OCC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000237694168 202330645 /nfs/dbraw/zinc/33/06/45/202330645.db2.gz HTQYWSVMQLNISU-CQSZACIVSA-N -1 0 305.374 2.477 50 0 DEAARM Cc1nc(-c2cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)co2)cs1 ZINC000237789685 202355852 /nfs/dbraw/zinc/35/58/52/202355852.db2.gz TXONWXZIUCNTCM-SECBINFHSA-N -1 0 306.343 2.258 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 ZINC000238194941 202450707 /nfs/dbraw/zinc/45/07/07/202450707.db2.gz XYLDISTUOWHMTF-OAHLLOKOSA-N -1 0 317.385 2.102 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2SCCc3ccccc32)C1 ZINC000136135337 304109817 /nfs/dbraw/zinc/10/98/17/304109817.db2.gz AIVCTQZPIYKVQR-TZMCWYRMSA-N -1 0 305.399 2.340 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(Cl)ccc2Cl)CCO1 ZINC000091292561 193032802 /nfs/dbraw/zinc/03/28/02/193032802.db2.gz YCWYOMSPDYQWLU-VIFPVBQESA-N -1 0 318.156 2.309 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)c2csc3ccccc23)CCO1 ZINC000091293590 193033000 /nfs/dbraw/zinc/03/30/00/193033000.db2.gz AVTGWDOINRMVQJ-JTQLQIEISA-N -1 0 305.355 2.217 50 0 DEAARM CCC[C@@H]1CN(C(=O)c2c(Cl)cnn2CC)C[C@H]1C(=O)[O-] ZINC000092061547 193149843 /nfs/dbraw/zinc/14/98/43/193149843.db2.gz XMFPEWZXWOEEED-NXEZZACHSA-N -1 0 313.785 2.129 50 0 DEAARM COc1ccccc1O[C@H](C)CNC(=O)C(C)(C)CCC(=O)[O-] ZINC000630060586 367457277 /nfs/dbraw/zinc/45/72/77/367457277.db2.gz MWXDOIYKCKWWPG-GFCCVEGCSA-N -1 0 323.389 2.470 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCOCC(F)(F)F ZINC000299742486 304148678 /nfs/dbraw/zinc/14/86/78/304148678.db2.gz JOAAREWBNGOVSY-MXWKQRLJSA-N -1 0 323.311 2.200 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1noc2c1CCCC2 ZINC000252551368 304150043 /nfs/dbraw/zinc/15/00/43/304150043.db2.gz UDFSDXUHOFKILU-RTXFEEFZSA-N -1 0 318.373 2.411 50 0 DEAARM CC(C)Cc1cc(C(=O)NCc2ccc(C(=O)[O-])o2)cc(=O)[nH]1 ZINC000262787235 203403603 /nfs/dbraw/zinc/40/36/03/203403603.db2.gz PALLCDNLYHGGEI-UHFFFAOYSA-N -1 0 318.329 2.207 50 0 DEAARM Cc1ccc(OC2CCN(C(=O)[C@@H]3C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000263522755 203475329 /nfs/dbraw/zinc/47/53/29/203475329.db2.gz IAZVLIPTGKBTHY-CABCVRRESA-N -1 0 303.358 2.086 50 0 DEAARM CC(C)(C)n1cc(C(=O)N[C@H](C(=O)[O-])c2ccccc2)cn1 ZINC000095947195 193454146 /nfs/dbraw/zinc/45/41/46/193454146.db2.gz UPKRSLLJPKYTFF-ZDUSSCGKSA-N -1 0 301.346 2.194 50 0 DEAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529703652 284244027 /nfs/dbraw/zinc/24/40/27/284244027.db2.gz FUKWCOYQXUQSLL-QMMMGPOBSA-N -1 0 319.434 2.104 50 0 DEAARM COc1cc(NC(=O)c2c(C)noc2C)c(C(=O)[O-])cc1OC ZINC000008191137 181534486 /nfs/dbraw/zinc/53/44/86/181534486.db2.gz FKSOVPVJUFDAHV-UHFFFAOYSA-N -1 0 320.301 2.259 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(CCc2c[nH]c3ccc(Cl)cc23)C1 ZINC000013944180 181913190 /nfs/dbraw/zinc/91/31/90/181913190.db2.gz MPJNCCCVRNGQIZ-SNVBAGLBSA-N -1 0 306.749 2.297 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000195541549 304177242 /nfs/dbraw/zinc/17/72/42/304177242.db2.gz CCDRNFUANYAGMF-CQSZACIVSA-N -1 0 304.321 2.315 50 0 DEAARM COc1ccc(-c2noc(N3CCC(C(=O)[O-])CC3)n2)cc1 ZINC000020105345 182186497 /nfs/dbraw/zinc/18/64/97/182186497.db2.gz OKANSNWBIZOLJO-UHFFFAOYSA-N -1 0 303.318 2.046 50 0 DEAARM Cc1ccc(NS(=O)(=O)N2CCC[C@H](C)C2)c(C(=O)[O-])c1 ZINC000020559036 182231228 /nfs/dbraw/zinc/23/12/28/182231228.db2.gz UNHPNOLNUYFZAF-NSHDSACASA-N -1 0 312.391 2.082 50 0 DEAARM Cc1nn(C)c2ncc([N-]S(=O)(=O)c3cccs3)cc12 ZINC000022756294 182333052 /nfs/dbraw/zinc/33/30/52/182333052.db2.gz LSJLTJKYFGMNQV-UHFFFAOYSA-N -1 0 308.388 2.139 50 0 DEAARM CN(C(=O)Cc1c([O-])c2ccccc2[nH]c1=O)c1ccccc1 ZINC000039004361 183013695 /nfs/dbraw/zinc/01/36/95/183013695.db2.gz VWCHCZKIHVXKQP-UHFFFAOYSA-N -1 0 308.337 2.439 50 0 DEAARM COC[C@H]1CCCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000492121887 249002824 /nfs/dbraw/zinc/00/28/24/249002824.db2.gz ZHRNZBXHBZXEQA-PIZKADEWSA-N -1 0 303.358 2.283 50 0 DEAARM C[C@H](CN(C)C(=O)c1csc(Br)c1)C(=O)[O-] ZINC000042695161 183297277 /nfs/dbraw/zinc/29/72/77/183297277.db2.gz FPQUWJIZVNEQRD-ZCFIWIBFSA-N -1 0 306.181 2.303 50 0 DEAARM COc1ccc(Cl)cc1CC(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000062913555 184259342 /nfs/dbraw/zinc/25/93/42/184259342.db2.gz VRXRQUNASPKIEN-HNNXBMFYSA-N -1 0 311.765 2.214 50 0 DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccccc2)c(C)n1C ZINC000064923359 184306366 /nfs/dbraw/zinc/30/63/66/184306366.db2.gz SJGMTHSKZFZDSX-UHFFFAOYSA-N -1 0 322.386 2.311 50 0 DEAARM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000066248424 184398976 /nfs/dbraw/zinc/39/89/76/184398976.db2.gz LBIZNHWWLWXNLN-UHFFFAOYSA-N -1 0 307.375 2.200 50 0 DEAARM O=C([O-])C1(C(=O)Nc2cccc(-c3n[nH]c(C4CC4)n3)c2)CC1 ZINC000154853741 196998857 /nfs/dbraw/zinc/99/88/57/196998857.db2.gz NQKWJMTUTMAPNV-UHFFFAOYSA-N -1 0 312.329 2.152 50 0 DEAARM O=C([O-])c1cnc(N2CCCC2)nc1COc1ccc(F)cc1 ZINC000096182428 304277034 /nfs/dbraw/zinc/27/70/34/304277034.db2.gz XQYCOMYIQUSONS-UHFFFAOYSA-N -1 0 317.320 2.493 50 0 DEAARM CCc1nc(CNC(=O)Cc2cccc(C(=O)[O-])c2)cs1 ZINC000262244479 145271697 /nfs/dbraw/zinc/27/16/97/145271697.db2.gz UTHHSGUUHKDWJL-UHFFFAOYSA-N -1 0 304.371 2.263 50 0 DEAARM COc1nc(C)ccc1C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1 ZINC000262847596 145307517 /nfs/dbraw/zinc/30/75/17/145307517.db2.gz AZNUQZPHTGUXCH-UHFFFAOYSA-N -1 0 318.329 2.270 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000003257541 401723730 /nfs/dbraw/zinc/72/37/30/401723730.db2.gz PUVZCARIZYMCRY-CHWSQXEVSA-N -1 0 310.419 2.371 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cn1 ZINC000007056553 401736542 /nfs/dbraw/zinc/73/65/42/401736542.db2.gz TXTOYZVBXNZHTL-UHFFFAOYSA-N -1 0 306.343 2.094 50 0 DEAARM O=C([O-])[C@@H]1CS[C@@H](c2ccc(F)c(Br)c2)N1 ZINC000000138336 401688348 /nfs/dbraw/zinc/68/83/48/401688348.db2.gz SSVDPXTWTDRXNH-IUCAKERBSA-N -1 0 306.156 2.376 50 0 DEAARM Cc1ccccc1NC(=O)C[C@H](NCc1ccco1)C(=O)[O-] ZINC000000195878 401690157 /nfs/dbraw/zinc/69/01/57/401690157.db2.gz IPBHZZVAIBFKMS-AWEZNQCLSA-N -1 0 302.330 2.160 50 0 DEAARM O=C([O-])COc1ccc2c(c1)occ(-c1cscn1)c2=O ZINC000000407276 401696669 /nfs/dbraw/zinc/69/66/69/401696669.db2.gz HCNURRPJBLZGQQ-UHFFFAOYSA-N -1 0 303.295 2.380 50 0 biogenic DEAARM COc1cccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1 ZINC000000582931 401701689 /nfs/dbraw/zinc/70/16/89/401701689.db2.gz HKZJLIVNMYRTOO-UHFFFAOYSA-N -1 0 320.370 2.319 50 0 DEAARM CCS(=O)(=O)c1ccc(O)c(Nc2nc(C)cc(C)n2)c1 ZINC000001921679 401711013 /nfs/dbraw/zinc/71/10/13/401711013.db2.gz JWVHLBBCGSKCBQ-UHFFFAOYSA-N -1 0 307.375 2.336 50 0 DEAARM COc1cc(OC)cc(C(C)(C)OC(=O)N[C@@H](C)C(=O)[O-])c1 ZINC000002559991 401714834 /nfs/dbraw/zinc/71/48/34/401714834.db2.gz DQYVXSMGPCFHSK-VIFPVBQESA-N -1 0 311.334 2.138 50 0 DEAARM CC(C)(C)OC(=O)C[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002526268 401714858 /nfs/dbraw/zinc/71/48/58/401714858.db2.gz HLSLRFBLVZUVIE-GFCCVEGCSA-N -1 0 323.345 2.098 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)COc2ccc(F)cc2)cc1 ZINC000013166384 401797066 /nfs/dbraw/zinc/79/70/66/401797066.db2.gz MATWDMFOLLXGAY-UHFFFAOYSA-N -1 0 303.289 2.219 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)Cc2ccc3c(c2)CCO3)cc1 ZINC000013261512 401798213 /nfs/dbraw/zinc/79/82/13/401798213.db2.gz KXBJQRMHSAHOAU-UHFFFAOYSA-N -1 0 311.337 2.179 50 0 DEAARM CC(C)(C)c1ccc(C(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000008685974 401754727 /nfs/dbraw/zinc/75/47/27/401754727.db2.gz CKFZJVVVHWHWFB-UHFFFAOYSA-N -1 0 319.386 2.143 50 0 DEAARM C[C@H](Oc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1)C(=O)[O-] ZINC000012364888 401783901 /nfs/dbraw/zinc/78/39/01/401783901.db2.gz XIRBRWFZIDGGSD-CLUBXZQOSA-N -1 0 307.327 2.205 50 0 DEAARM NC(=O)c1cccc([N-]S(=O)(=O)c2ccccc2Cl)c1 ZINC000013071840 401795709 /nfs/dbraw/zinc/79/57/09/401795709.db2.gz VZENVSSASKSVQJ-UHFFFAOYSA-N -1 0 310.762 2.240 50 0 DEAARM O=C([O-])c1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 ZINC000016488370 401819487 /nfs/dbraw/zinc/81/94/87/401819487.db2.gz DNKKWZYSSMVLBW-GXDHUFHOSA-N -1 0 308.293 2.482 50 0 DEAARM CCn1ccc(-c2cc(C(=O)[O-])n3nc(C)c(Cl)c3n2)n1 ZINC000020617289 401824294 /nfs/dbraw/zinc/82/42/94/401824294.db2.gz YVJYFHWHQLBMGD-UHFFFAOYSA-N -1 0 305.725 2.273 50 0 DEAARM Cc1cccc(S(=O)(=O)[N-]c2cccnc2-n2cccn2)c1 ZINC000078556738 401856097 /nfs/dbraw/zinc/85/60/97/401856097.db2.gz YQOOMHRXDONJIK-UHFFFAOYSA-N -1 0 314.370 2.377 50 0 DEAARM CC[C@@H](C)[C@H](NC(=O)Cn1ccc2cc(OC)ccc21)C(=O)[O-] ZINC000032124497 401876733 /nfs/dbraw/zinc/87/67/33/401876733.db2.gz OSMDYMQYNMGAOT-BZNIZROVSA-N -1 0 318.373 2.265 50 0 biogenic DEAARM COc1cccc(-c2cc(N3CCC[C@H](C(=O)[O-])C3)ncn2)c1 ZINC000032918482 401885667 /nfs/dbraw/zinc/88/56/67/401885667.db2.gz KWNDEEKVHQIWPZ-ZDUSSCGKSA-N -1 0 313.357 2.453 50 0 DEAARM Cc1ccc(S(=O)(=O)N2Cc3ccc(C(=O)[O-])cc3C2)cc1 ZINC000033947387 401892545 /nfs/dbraw/zinc/89/25/45/401892545.db2.gz IFCJQXATMSQCOR-UHFFFAOYSA-N -1 0 317.366 2.398 50 0 DEAARM CC[C@@H](C)NC(=O)CCc1nnc(-c2ccc(C)cc2)[n-]c1=O ZINC000034768755 401893718 /nfs/dbraw/zinc/89/37/18/401893718.db2.gz FRTPRZYGIKSUDU-GFCCVEGCSA-N -1 0 314.389 2.400 50 0 DEAARM Cc1cccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)c1 ZINC000034768691 401893849 /nfs/dbraw/zinc/89/38/49/401893849.db2.gz LKRDVTOAMQDFCJ-UHFFFAOYSA-N -1 0 314.389 2.257 50 0 DEAARM O=C(NC1CCC2(CC1)OCCO2)c1ccc([O-])c(Cl)c1 ZINC000048356678 401999279 /nfs/dbraw/zinc/99/92/79/401999279.db2.gz SSJNMNSIIFWRNC-UHFFFAOYSA-N -1 0 311.765 2.461 50 0 DEAARM Cc1nnc(CN2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)[nH]1 ZINC000095365471 402028534 /nfs/dbraw/zinc/02/85/34/402028534.db2.gz LDCAGOASWHYCLP-CQSZACIVSA-N -1 0 300.362 2.191 50 0 DEAARM COc1cc(F)ccc1[C@H](C(=O)[O-])N(C)Cc1c(C)n[nH]c1C ZINC000095369972 402028977 /nfs/dbraw/zinc/02/89/77/402028977.db2.gz PQIRVUQLENZDOP-OAHLLOKOSA-N -1 0 321.352 2.432 50 0 DEAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1cnc(Cc2ccc(F)cc2)s1 ZINC000095970094 402038492 /nfs/dbraw/zinc/03/84/92/402038492.db2.gz GAUQEZIONPWLRO-VIFPVBQESA-N -1 0 322.361 2.418 50 0 DEAARM C[C@H](CNC(=O)CCc1ccccc1Br)C(=O)[O-] ZINC000095970584 402039020 /nfs/dbraw/zinc/03/90/20/402039020.db2.gz JXCNHAPUMQYADM-SECBINFHSA-N -1 0 314.179 2.219 50 0 DEAARM CC(C)(C)CS(=O)(=O)[N-]C(=O)c1cccc2ncccc21 ZINC000095987686 402043382 /nfs/dbraw/zinc/04/33/82/402043382.db2.gz RHZWQLNTNJLNOO-UHFFFAOYSA-N -1 0 306.387 2.341 50 0 DEAARM O=S(=O)([N-]c1ccccn1)c1cc(Cl)cc2c1OCC2 ZINC000096009583 402046303 /nfs/dbraw/zinc/04/63/03/402046303.db2.gz KVOWZWUQDUBEMA-UHFFFAOYSA-N -1 0 310.762 2.471 50 0 DEAARM C[C@@H](Oc1cccc(C(=O)/C=C\c2cnn(C)c2)c1)C(=O)[O-] ZINC000096035610 402047553 /nfs/dbraw/zinc/04/75/53/402047553.db2.gz LAUXMQVXLDSGQC-JMEBYUIHSA-N -1 0 300.314 2.168 50 0 DEAARM CCNC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000048383503 401999682 /nfs/dbraw/zinc/99/96/82/401999682.db2.gz LBYMQSOSDADMJZ-KGLIPLIRSA-N -1 0 316.357 2.042 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2cnn(-c3ccccc3F)c2)no1 ZINC000096427375 402084050 /nfs/dbraw/zinc/08/40/50/402084050.db2.gz LZDWUUPXTDGXDR-UHFFFAOYSA-N -1 0 322.321 2.109 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccnc(C2CC2)n1 ZINC000097094784 402106747 /nfs/dbraw/zinc/10/67/47/402106747.db2.gz MUHWHAWSTLWIAN-UHFFFAOYSA-N -1 0 313.386 2.288 50 0 DEAARM CSCC[C@@H](O)c1nc(C)nn1-c1ccccc1C(=O)[O-] ZINC000096180564 402064873 /nfs/dbraw/zinc/06/48/73/402064873.db2.gz XRJAQMMJNNYCFQ-GFCCVEGCSA-N -1 0 307.375 2.060 50 0 DEAARM COc1cc(OC)c(CN(C)Cc2cc(C)on2)c(C(=O)[O-])c1 ZINC000097425612 402125024 /nfs/dbraw/zinc/12/50/24/402125024.db2.gz HDVYJTPQTFCQDG-UHFFFAOYSA-N -1 0 320.345 2.330 50 0 DEAARM Cn1c2ccccc2c([O-])c(C(=O)NCc2ccccc2)c1=O ZINC000100327275 402140980 /nfs/dbraw/zinc/14/09/80/402140980.db2.gz BZFVPHHABIFGNR-UHFFFAOYSA-N -1 0 308.337 2.174 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)/C=C\c1c(Cl)nc2ccccn21 ZINC000098055964 402136086 /nfs/dbraw/zinc/13/60/86/402136086.db2.gz ULPTZJPRLDAZQS-FPLPWBNLSA-N -1 0 321.764 2.324 50 0 DEAARM O=c1c2[n-][nH]n(-c3cccc(F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101277650 402144310 /nfs/dbraw/zinc/14/43/10/402144310.db2.gz YPESBVNUZLGZEQ-KGLIPLIRSA-N -1 0 310.288 2.324 50 0 DEAARM C[C@@H](CN(C)C(=O)c1ccc(C(C)(C)C)s1)c1nnn[n-]1 ZINC000124424101 402179198 /nfs/dbraw/zinc/17/91/98/402179198.db2.gz PDJFVXJHVINJPR-VIFPVBQESA-N -1 0 307.423 2.434 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@H]2C[C@H]2c2cccc(F)c2)n1 ZINC000124326791 402174723 /nfs/dbraw/zinc/17/47/23/402174723.db2.gz OFTAWIWQZDAHGI-QWRGUYRKSA-N -1 0 320.345 2.400 50 0 DEAARM Cc1ccc(CCS(=O)(=O)Nc2ccc(N(C)C)cn2)cc1 ZINC000225706604 402322200 /nfs/dbraw/zinc/32/22/00/402322200.db2.gz DUNKLBJEKOSQIM-UHFFFAOYSA-N -1 0 319.430 2.440 50 0 DEAARM Cc1nnc(-c2ccccc2NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)o1 ZINC000071285509 402272404 /nfs/dbraw/zinc/27/24/04/402272404.db2.gz ZPNIIJWHFZXZBC-RYUDHWBXSA-N -1 0 315.329 2.340 50 0 DEAARM O=c1nc(CCNc2nc3cc(Cl)cc(Cl)c3o2)[n-]o1 ZINC000225812068 402324319 /nfs/dbraw/zinc/32/43/19/402324319.db2.gz FXEATLXOQQIBKX-UHFFFAOYSA-N -1 0 315.116 2.466 50 0 DEAARM Cc1ccc(F)c(C(=O)N(CCC(=O)[O-])C[C@H]2CCCO2)c1 ZINC000237766200 402420777 /nfs/dbraw/zinc/42/07/77/402420777.db2.gz BLQHJHUBWNSJBQ-GFCCVEGCSA-N -1 0 309.337 2.230 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(N2CCCC2)c(F)c1 ZINC000238081703 402436986 /nfs/dbraw/zinc/43/69/86/402436986.db2.gz ANRQIUNXFQTFKA-CQSZACIVSA-N -1 0 306.337 2.115 50 0 DEAARM O=C([O-])CN(C(=O)c1ccc(N2CCCCCC2)nc1)C1CC1 ZINC000238087900 402437456 /nfs/dbraw/zinc/43/74/56/402437456.db2.gz YELNVLCOLZOZHG-UHFFFAOYSA-N -1 0 317.389 2.151 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2ncoc2[C@@H]2CCCO2)cc1 ZINC000238129615 402438602 /nfs/dbraw/zinc/43/86/02/402438602.db2.gz 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/nfs/dbraw/zinc/66/59/80/402665980.db2.gz FSCSRRCDJOTESL-UHFFFAOYSA-N -1 0 310.306 2.104 50 0 DEAARM COc1cc(C(=O)[O-])ccc1NC(=O)c1cc(C2CC2)[nH]n1 ZINC000262986098 402739756 /nfs/dbraw/zinc/73/97/56/402739756.db2.gz PVUHIDPPDBKBPI-UHFFFAOYSA-N -1 0 301.302 2.246 50 0 DEAARM CO[C@]1(C)CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)CC1 ZINC000263480481 402773302 /nfs/dbraw/zinc/77/33/02/402773302.db2.gz NTWXWDDFHIGVDE-QGZVFWFLSA-N -1 0 320.389 2.485 50 0 DEAARM C[S@@](=O)c1cccc(NC(=O)NC2CCC(C(=O)[O-])CC2)c1 ZINC000263496734 402774605 /nfs/dbraw/zinc/77/46/05/402774605.db2.gz REJVGKCGKQOLGT-AUOQGKCVSA-N -1 0 324.402 2.189 50 0 DEAARM Cc1noc(C)c1CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000265552142 402928708 /nfs/dbraw/zinc/92/87/08/402928708.db2.gz HFFDQPNXGCMNOU-YUTCNCBUSA-N -1 0 306.362 2.078 50 0 DEAARM CCO[C@@H]1C[C@@](NC(=O)c2ccc(Cl)o2)(C(=O)[O-])C1(C)C ZINC000193047030 286309612 /nfs/dbraw/zinc/30/96/12/286309612.db2.gz RRIPWZAZOITXLN-YMTOWFKASA-N -1 0 315.753 2.321 50 0 DEAARM COc1ccccc1CCn1c(C)cc(=O)c(C(=O)[O-])c1C ZINC000299792660 403577123 /nfs/dbraw/zinc/57/71/23/403577123.db2.gz FIGTXPNUCNVPES-UHFFFAOYSA-N -1 0 301.342 2.415 50 0 DEAARM O=C([O-])Cn1ccc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 ZINC000426521113 405366715 /nfs/dbraw/zinc/36/67/15/405366715.db2.gz AIUGBBXTJRTSOT-AWEZNQCLSA-N -1 0 319.405 2.254 50 0 DEAARM Cc1nc(CCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)sc1Cl ZINC000426701499 405375085 /nfs/dbraw/zinc/37/50/85/405375085.db2.gz WFFLYXRAHAWNOE-DTWKUNHWSA-N -1 0 316.810 2.265 50 0 DEAARM COc1cccc(CCCNC(=O)[C@H]2CC[C@@H](C(=O)[O-])C2)c1 ZINC000426705651 405375124 /nfs/dbraw/zinc/37/51/24/405375124.db2.gz IGMYPAZVPZFFKF-UONOGXRCSA-N -1 0 305.374 2.245 50 0 DEAARM Nc1ccc(F)cc1-c1nc(=O)c(-c2ccc(F)cc2)n[n-]1 ZINC000408525849 227243445 /nfs/dbraw/zinc/24/34/45/227243445.db2.gz ZKYGIVYOCUEXHA-UHFFFAOYSA-N -1 0 300.268 2.359 50 0 DEAARM C[C@H]1CCCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C1 ZINC000003280957 299849167 /nfs/dbraw/zinc/84/91/67/299849167.db2.gz 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ZINC000000811634 301174708 /nfs/dbraw/zinc/17/47/08/301174708.db2.gz DFFZRBIPGBTBHG-CYBMUJFWSA-N -1 0 311.403 2.158 50 0 DEAARM O=S(=O)([N-]c1nncs1)c1ccc(Br)cc1 ZINC000005557833 304768044 /nfs/dbraw/zinc/76/80/44/304768044.db2.gz NASXRLLEFZKBLN-UHFFFAOYSA-N -1 0 320.193 2.101 50 0 DEAARM NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1C(=O)[O-] ZINC000019832207 303341518 /nfs/dbraw/zinc/34/15/18/303341518.db2.gz KLMYPPLYKZLSNN-MNDPQUGUSA-N -1 0 308.293 2.462 50 0 DEAARM O=C(NC1CC1)c1ccccc1[N-]S(=O)(=O)c1cccs1 ZINC000007054317 331501001 /nfs/dbraw/zinc/50/10/01/331501001.db2.gz XRGGSDYKUZEIEI-UHFFFAOYSA-N -1 0 322.411 2.441 50 0 DEAARM COc1ccc(-c2ccc(S(=O)(=O)CCC(=O)[O-])cc2)cn1 ZINC000534592724 334294614 /nfs/dbraw/zinc/29/46/14/334294614.db2.gz UEMBDFNPVQTYNM-UHFFFAOYSA-N -1 0 321.354 2.006 50 0 DEAARM C[C@H](NC(=O)c1ccc(O)cc1F)[C@H](O)Cc1ccccc1 ZINC000097232610 337382468 /nfs/dbraw/zinc/38/24/68/337382468.db2.gz CTFXDCHSLZZZOF-MEDUHNTESA-N -1 0 303.333 2.253 50 0 DEAARM O=S(=O)(Cc1c(Cl)cccc1Cl)[N-]c1nc[nH]n1 ZINC000190414128 337383518 /nfs/dbraw/zinc/38/35/18/337383518.db2.gz VCKHBGIZIPKVQO-UHFFFAOYSA-N -1 0 307.162 2.053 50 0 DEAARM CC(C)[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000262809436 535214206 /nfs/dbraw/zinc/21/42/06/535214206.db2.gz OZZBKOIPXGDDSE-OAHLLOKOSA-N -1 0 305.374 2.201 50 0 DEAARM C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000387024177 601203660 /nfs/dbraw/zinc/20/36/60/601203660.db2.gz IZGASXATSINHHT-CZXYNIEVSA-N -1 0 323.414 2.451 50 0 DEAARM CC(C)n1cc(S(=O)(=O)[N-]c2cc(C(C)(C)F)on2)cn1 ZINC000952994839 635227832 /nfs/dbraw/zinc/22/78/32/635227832.db2.gz VLIOJRVHFLYAEY-UHFFFAOYSA-N -1 0 316.358 2.457 50 0 DEAARM C[C@@H]1CCN(C(=O)CC(C)(C)CC(=O)[O-])C[C@@H]1n1ccnc1 ZINC000887557534 692399564 /nfs/dbraw/zinc/39/95/64/692399564.db2.gz SVRSWXNLOIQDRY-OLZOCXBDSA-N -1 0 307.394 2.184 50 0 DEAARM CO[C@@H](C)CS(=O)(=O)[N-]c1nocc1-c1ccccc1F ZINC000585128868 790324005 /nfs/dbraw/zinc/32/40/05/790324005.db2.gz PLUUQTZKSCNJNQ-VIFPVBQESA-N -1 0 314.338 2.257 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@H](Cc2ccccn2)[C@H]1C(=O)[O-] ZINC000096675795 185385275 /nfs/dbraw/zinc/38/52/75/185385275.db2.gz FXGBMHVRXPPJEQ-YPMHNXCESA-N -1 0 306.362 2.334 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccccn2)[C@@H]1C(=O)[O-] ZINC000096675794 185385315 /nfs/dbraw/zinc/38/53/15/185385315.db2.gz FXGBMHVRXPPJEQ-WCQYABFASA-N -1 0 306.362 2.334 50 0 DEAARM CNC(=O)c1ccccc1NC(=O)CC1(CC(=O)[O-])CCCC1 ZINC000006847383 290634792 /nfs/dbraw/zinc/63/47/92/290634792.db2.gz PCLRIYFCNGBSLV-UHFFFAOYSA-N -1 0 318.373 2.410 50 0 DEAARM C[C@@](COc1ccccc1)(NC(=O)c1ccc(F)cc1)C(=O)[O-] ZINC000095424643 185361440 /nfs/dbraw/zinc/36/14/40/185361440.db2.gz UVCRAOALDQNVGE-KRWDZBQOSA-N -1 0 317.316 2.478 50 0 DEAARM C[C@@H](NC(=O)C(C)(C)C)C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000095425525 185361721 /nfs/dbraw/zinc/36/17/21/185361721.db2.gz UJGWENIDCALSSB-LLVKDONJSA-N -1 0 320.389 2.193 50 0 DEAARM CCS[C@@H](C(=O)NCc1nc(C(=O)[O-])cs1)C(C)C ZINC000095425460 185361733 /nfs/dbraw/zinc/36/17/33/185361733.db2.gz RJBFELXILGNFIY-SNVBAGLBSA-N -1 0 302.421 2.235 50 0 DEAARM CCc1ccc(/C=C/S(=O)(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000097022308 185398611 /nfs/dbraw/zinc/39/86/11/185398611.db2.gz QBIMHUHCQNICEM-MARXPDLDSA-N -1 0 309.387 2.099 50 0 DEAARM Cc1cc(C(=O)N(Cc2ccccc2)C[C@@H](C)C(=O)[O-])no1 ZINC000170044329 539614284 /nfs/dbraw/zinc/61/42/84/539614284.db2.gz GMKCYUNVVFXDTO-LLVKDONJSA-N -1 0 302.330 2.346 50 0 DEAARM CCOCCC(=O)N1CC[C@H](Cc2cccc(C(=O)[O-])c2)C1 ZINC000072128161 191043555 /nfs/dbraw/zinc/04/35/55/191043555.db2.gz KZFKPSIUCVHTGX-CQSZACIVSA-N -1 0 305.374 2.202 50 0 DEAARM COc1cc(C)c(C(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1OC ZINC000263237309 539789507 /nfs/dbraw/zinc/78/95/07/539789507.db2.gz REMZBHIGUBKRIQ-NEPJUHHUSA-N -1 0 321.373 2.338 50 0 DEAARM CC[C@@H](C)[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000000083460 180686832 /nfs/dbraw/zinc/68/68/32/180686832.db2.gz LFULISIPSBADSX-LDYMZIIASA-N -1 0 305.783 2.118 50 0 DEAARM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000299750405 539859753 /nfs/dbraw/zinc/85/97/53/539859753.db2.gz NKFIFTIMSYXAJJ-JYJNAYRXSA-N -1 0 317.385 2.226 50 0 DEAARM CCOC(=O)c1ccc(NC(=O)CSCCC(=O)[O-])cc1 ZINC000003374999 181012805 /nfs/dbraw/zinc/01/28/05/181012805.db2.gz ZNAKYJRRHDQHKE-UHFFFAOYSA-N -1 0 311.359 2.010 50 0 DEAARM Cc1cccc(OCC(=O)Nc2ccc(O)cc2C(=O)[O-])c1 ZINC000004549805 181123338 /nfs/dbraw/zinc/12/33/38/181123338.db2.gz CKTVVZQHAALYLC-UHFFFAOYSA-N -1 0 301.298 2.416 50 0 DEAARM C[C@H](CC(=O)[O-])CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000004677872 181135269 /nfs/dbraw/zinc/13/52/69/181135269.db2.gz VIEJXMOERKEPJI-LBPRGKRZSA-N -1 0 324.808 2.490 50 0 DEAARM O=C([O-])COc1ccc(CC(=O)OCc2ccccc2)cc1 ZINC000060119702 354608276 /nfs/dbraw/zinc/60/82/76/354608276.db2.gz OUOJVWLTOYGWPQ-UHFFFAOYSA-N -1 0 300.310 2.436 50 0 DEAARM O=C(NCc1ccccc1F)c1c(=O)[nH]c2ccsc2c1[O-] ZINC000065215556 354679879 /nfs/dbraw/zinc/67/98/79/354679879.db2.gz MWEKTBMLLMOXIP-UHFFFAOYSA-N -1 0 318.329 2.364 50 0 DEAARM O=C([O-])CCCCCNS(=O)(=O)c1cccc2cccnc21 ZINC000004892401 181168525 /nfs/dbraw/zinc/16/85/25/181168525.db2.gz LXCJZRJFNHGEBD-UHFFFAOYSA-N -1 0 322.386 2.158 50 0 DEAARM CCCS(=O)(=O)[N-]C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000076018720 355119819 /nfs/dbraw/zinc/11/98/19/355119819.db2.gz FZGZIWATFXAWRP-RYUDHWBXSA-N -1 0 301.795 2.300 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2ccsc2C(N)=O)c(C)c1 ZINC000079106520 355297394 /nfs/dbraw/zinc/29/73/94/355297394.db2.gz SONVFILPESYHSQ-UHFFFAOYSA-N -1 0 310.400 2.265 50 0 DEAARM Cc1nc(C)c(C(=O)N[C@H](C(=O)[O-])c2ccccc2F)s1 ZINC000097231160 355703111 /nfs/dbraw/zinc/70/31/11/355703111.db2.gz ADGPHKNOMARESR-NSHDSACASA-N -1 0 308.334 2.455 50 0 DEAARM CCOc1ccc(NCc2nn3c([n-]2)nc(C)c(C)c3=O)cc1 ZINC000101802677 355710462 /nfs/dbraw/zinc/71/04/62/355710462.db2.gz ODGNKFPWYOSVDV-UHFFFAOYSA-N -1 0 313.361 2.045 50 0 DEAARM O=c1oc2cc([O-])ccc2c(CCO)c1-c1ccc(O)cc1O ZINC000145636569 355906842 /nfs/dbraw/zinc/90/68/42/355906842.db2.gz 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O=C([O-])[C@@H](Cc1ccccc1)NC(=O)Cc1ccc(F)cc1 ZINC000058845592 184129923 /nfs/dbraw/zinc/12/99/23/184129923.db2.gz LWBNLNGFHHXASV-OAHLLOKOSA-N -1 0 301.317 2.180 50 0 DEAARM CC(=O)c1ccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000061254292 184166913 /nfs/dbraw/zinc/16/69/13/184166913.db2.gz AIEDHNVGKQFTBK-UHFFFAOYSA-N -1 0 319.357 2.172 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)C2=Cc3cc(Cl)ccc3OC2)C1 ZINC000062118491 184206801 /nfs/dbraw/zinc/20/68/01/184206801.db2.gz FXDRKHWKIPMNQC-VIFPVBQESA-N -1 0 307.733 2.049 50 0 DEAARM Cc1cc(Br)ccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000062119200 184207016 /nfs/dbraw/zinc/20/70/16/184207016.db2.gz IXFVKITVRYKHEN-SECBINFHSA-N -1 0 312.163 2.304 50 0 DEAARM CN(CC1CC1)C(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000064489406 184298431 /nfs/dbraw/zinc/29/84/31/184298431.db2.gz MQSGKMQTYICXGL-UHFFFAOYSA-N -1 0 316.810 2.194 50 0 DEAARM Cc1cn(C)c(CC(=O)NCc2cccc(F)c2)c1C(=O)[O-] ZINC000064774954 184303213 /nfs/dbraw/zinc/30/32/13/184303213.db2.gz XMVLXABEKCEACB-UHFFFAOYSA-N -1 0 304.321 2.030 50 0 DEAARM CN(Cc1nc2ccccc2n1C)Cc1ncccc1C(=O)[O-] ZINC000065397836 184336112 /nfs/dbraw/zinc/33/61/12/184336112.db2.gz MQDCXEIFEPUJNK-UHFFFAOYSA-N -1 0 310.357 2.299 50 0 DEAARM COc1ccc(C([O-])=CS(=O)(=O)c2ccccc2F)cc1 ZINC000067340681 184460758 /nfs/dbraw/zinc/46/07/58/184460758.db2.gz IEDHDKBXLQRDII-UHFFFAOYSA-N -1 0 308.330 2.491 50 0 DEAARM O=C([O-])c1ccc([C@@H]2SC=C3Sc4nncn4N32)cc1 ZINC000020733516 304250772 /nfs/dbraw/zinc/25/07/72/304250772.db2.gz CCQQEWUPYFGEJS-JTQLQIEISA-N -1 0 304.356 2.265 50 0 DEAARM O=C(CSc1n[n-]c(=S)s1)N1CCC2(CCC2)C1 ZINC000158809786 197303128 /nfs/dbraw/zinc/30/31/28/197303128.db2.gz ASHAIDSBBKSWGK-UHFFFAOYSA-N -1 0 301.462 2.322 50 0 DEAARM O=C([O-])c1cccn2c(=O)c3c4c(sc3nc12)CCCC4 ZINC000064481264 304272167 /nfs/dbraw/zinc/27/21/67/304272167.db2.gz IBCWGLBDHXOJEQ-UHFFFAOYSA-N -1 0 300.339 2.486 50 0 DEAARM Cn1nc(C(=O)NC2(CC(=O)[O-])CCCCC2)c2ccccc21 ZINC000323135026 257242043 /nfs/dbraw/zinc/24/20/43/257242043.db2.gz 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CC(C)(C)OC(=O)N[C@H](CCC(=O)[O-])C(=O)OC(C)(C)C ZINC000002554999 401714748 /nfs/dbraw/zinc/71/47/48/401714748.db2.gz YMOYURYWGUWMFM-SECBINFHSA-N -1 0 303.355 2.086 50 0 DEAARM CS(=O)(=O)[N-]c1ccn(Cc2cccc3ccccc32)n1 ZINC000002771150 401718127 /nfs/dbraw/zinc/71/81/27/401718127.db2.gz WCNGWZFFDBQCRR-UHFFFAOYSA-N -1 0 301.371 2.456 50 0 DEAARM O=C([O-])CC1=C(c2cccs2)Nn2c(nnc2C2CC2)S1 ZINC000013181898 401797527 /nfs/dbraw/zinc/79/75/27/401797527.db2.gz CYPWZBMNLBPEJQ-SECBINFHSA-N -1 0 320.399 2.418 50 0 DEAARM O=C([O-])c1ccc(CNS(=O)(=O)c2ccccc2F)cc1 ZINC000013340323 401798781 /nfs/dbraw/zinc/79/87/81/401798781.db2.gz YEQSJHXEZXJGNU-UHFFFAOYSA-N -1 0 309.318 2.002 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@H]1CCCC[C@@H]1C ZINC000013419796 401799520 /nfs/dbraw/zinc/79/95/20/401799520.db2.gz GMZSDJUITHYOPP-AAEUAGOBSA-N -1 0 321.373 2.467 50 0 DEAARM Cc1cc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)no1 ZINC000077287025 401808835 /nfs/dbraw/zinc/80/88/35/401808835.db2.gz NLEXDTJQUSYFNV-UHFFFAOYSA-N -1 0 311.301 2.145 50 0 DEAARM COc1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1OC ZINC000009358067 401761596 /nfs/dbraw/zinc/76/15/96/401761596.db2.gz WQCLCLYSSQOLME-GHXNOFRVSA-N -1 0 321.358 2.348 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2ccccc2)n(-c2ccccn2)n1 ZINC000009421840 401762088 /nfs/dbraw/zinc/76/20/88/401762088.db2.gz JUCGSROIYFJMRU-UHFFFAOYSA-N -1 0 314.370 2.377 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2nc(C)cs2)c(OC)c1 ZINC000011615565 401774869 /nfs/dbraw/zinc/77/48/69/401774869.db2.gz CHYLBDKJPGJVSR-UHFFFAOYSA-N -1 0 314.388 2.270 50 0 DEAARM CC[C@]1(C(=O)OC)C[C@@H](C(=O)[O-])[C@@H](c2ccc(F)cc2)N1C ZINC000012336699 401783847 /nfs/dbraw/zinc/78/38/47/401783847.db2.gz VKNSHFZHNUXUHI-XJKCOSOUSA-N -1 0 309.337 2.225 50 0 DEAARM COc1ccccc1Cn1cnc2oc(C)c(C(=O)[O-])c2c1=O ZINC000013057004 401795993 /nfs/dbraw/zinc/79/59/93/401795993.db2.gz NGCGCGKWESPJNZ-UHFFFAOYSA-N -1 0 314.297 2.053 50 0 DEAARM COc1cc(OC)cc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000013091868 401796712 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C[C@H](CCOc1ccccc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000136167909 401961972 /nfs/dbraw/zinc/96/19/72/401961972.db2.gz FGGXAJBRSYYHME-ZIAGYGMSSA-N -1 0 305.374 2.415 50 0 DEAARM C[C@@H](CCOc1ccccc1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136167803 401962037 /nfs/dbraw/zinc/96/20/37/401962037.db2.gz FGGXAJBRSYYHME-KBPBESRZSA-N -1 0 305.374 2.415 50 0 DEAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc3c(c2)CCO3)c1 ZINC000048290767 401997905 /nfs/dbraw/zinc/99/79/05/401997905.db2.gz VPLLLUNNCYLEAC-UHFFFAOYSA-N -1 0 319.338 2.121 50 0 DEAARM CC[C@@H](C)n1nccc1[N-]S(=O)(=O)c1cccc2nonc21 ZINC000089942770 401976253 /nfs/dbraw/zinc/97/62/53/401976253.db2.gz MPMGNFZGKOCKRH-SECBINFHSA-N -1 0 321.362 2.191 50 0 DEAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3c(c2)CCO3)cc1 ZINC000044868003 401948922 /nfs/dbraw/zinc/94/89/22/401948922.db2.gz XENGRKJOHMWZEO-UHFFFAOYSA-N -1 0 319.338 2.121 50 0 DEAARM Cc1ncsc1CCN(C)[C@@H](C(=O)[O-])c1c(C)noc1C ZINC000095365875 402028688 /nfs/dbraw/zinc/02/86/88/402028688.db2.gz 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/nfs/dbraw/zinc/03/85/50/402038550.db2.gz SYHLZGDXJRZBSP-LBPRGKRZSA-N -1 0 300.358 2.342 50 0 DEAARM Cc1ccc(C[C@@H](CNC(=O)CC[C@H]2CCCO2)C(=O)[O-])cc1 ZINC000095970686 402039407 /nfs/dbraw/zinc/03/94/07/402039407.db2.gz ISVVVNYXJWPBJE-JKSUJKDBSA-N -1 0 319.401 2.314 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2ccc(C)cc2Cl)no1 ZINC000095994128 402044388 /nfs/dbraw/zinc/04/43/88/402044388.db2.gz DLOVHJOCGPCBSS-UHFFFAOYSA-N -1 0 301.755 2.395 50 0 DEAARM COc1ccc(OC)c(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000096032397 402047752 /nfs/dbraw/zinc/04/77/52/402047752.db2.gz TYCCZAPHLYASAW-PIZKADEWSA-N -1 0 319.357 2.183 50 0 DEAARM COCCC1(C(=O)Nc2ccc(-c3nn[nH]n3)cc2)CCC1 ZINC000152313834 402088953 /nfs/dbraw/zinc/08/89/53/402088953.db2.gz NBOZWKFVSZJLDZ-UHFFFAOYSA-N -1 0 301.350 2.012 50 0 DEAARM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2c(F)cccc2Cl)no1 ZINC000097147179 402111942 /nfs/dbraw/zinc/11/19/42/402111942.db2.gz YTLIVOBYPWJRMT-ZCFIWIBFSA-N -1 0 319.745 2.210 50 0 DEAARM COc1cc(C(=O)[N-]c2n[nH]c(-c3ccc(C)s3)n2)on1 ZINC000097162479 402113418 /nfs/dbraw/zinc/11/34/18/402113418.db2.gz ZJYRZRWWYILBRK-UHFFFAOYSA-N -1 0 305.319 2.091 50 0 DEAARM COCCn1c(=O)c2cc(Br)ccc2[n-]c1=S ZINC000100449243 402141223 /nfs/dbraw/zinc/14/12/23/402141223.db2.gz AEHQTSXPPYYFGO-UHFFFAOYSA-N -1 0 315.192 2.094 50 0 DEAARM CC(C)CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613645 402141705 /nfs/dbraw/zinc/14/17/05/402141705.db2.gz YTUPMFIHDOVLCY-UHFFFAOYSA-N -1 0 300.358 2.039 50 0 biogenic DEAARM O=c1c2[n-][nH]n(Cc3ccccc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000101167180 402143895 /nfs/dbraw/zinc/14/38/95/402143895.db2.gz UZUGHLNIWOWFQD-LSDHHAIUSA-N -1 0 324.315 2.319 50 0 DEAARM COc1cccc(-n2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c1 ZINC000101277691 402144256 /nfs/dbraw/zinc/14/42/56/402144256.db2.gz HZCDZYSJORTYCS-CABCVRRESA-N -1 0 322.324 2.193 50 0 DEAARM CCc1cnc(C)nc1N(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000067540375 402161705 /nfs/dbraw/zinc/16/17/05/402161705.db2.gz 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ZINC000236690166 402374496 /nfs/dbraw/zinc/37/44/96/402374496.db2.gz AJDVQUABVOOOBN-SYCZXOQXSA-N -1 0 317.385 2.268 50 0 DEAARM COc1csc(C(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])c1 ZINC000237374913 402406376 /nfs/dbraw/zinc/40/63/76/402406376.db2.gz NBGGQVFEQFMOCS-CYBMUJFWSA-N -1 0 317.366 2.408 50 0 DEAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[C@@H]1C(=O)[O-] ZINC000237634456 402416054 /nfs/dbraw/zinc/41/60/54/402416054.db2.gz XTDWHYCYJMHNOL-GMOODISLSA-N -1 0 313.300 2.102 50 0 DEAARM Cc1ccc([C@@H](NC(=O)CN2CCC[C@@H]2C(=O)[O-])C2CC2)cc1 ZINC000237889424 402424356 /nfs/dbraw/zinc/42/43/56/402424356.db2.gz ALPXXHDRXFFLLF-NVXWUHKLSA-N -1 0 316.401 2.111 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCC(OC3CCCC3)CC2)cn1 ZINC000237987240 402429878 /nfs/dbraw/zinc/42/98/78/402429878.db2.gz VNXHMSSFECFAOY-UHFFFAOYSA-N -1 0 318.373 2.344 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCOc1ccc(F)cc1F ZINC000238060349 402436005 /nfs/dbraw/zinc/43/60/05/402436005.db2.gz FKTLHQRHCIOXLP-LBPRGKRZSA-N -1 0 313.300 2.199 50 0 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Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@H]2C)cc1F ZINC000263465262 402771705 /nfs/dbraw/zinc/77/17/05/402771705.db2.gz CMVXTNHSLZEUCX-MNOVXSKESA-N -1 0 315.366 2.008 50 0 DEAARM COc1cc(C)c(C(=O)N2CCC[C@@]2(C)C(=O)[O-])cc1OC ZINC000263535645 402779009 /nfs/dbraw/zinc/77/90/09/402779009.db2.gz OLKUKIGDUDGKFW-INIZCTEOSA-N -1 0 307.346 2.092 50 0 DEAARM C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000195542082 402850825 /nfs/dbraw/zinc/85/08/25/402850825.db2.gz RNJZSPFHQIIFTH-SFGNSQDASA-N -1 0 301.264 2.398 50 0 DEAARM CC(C)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)cn1 ZINC000266569088 402974908 /nfs/dbraw/zinc/97/49/08/402974908.db2.gz KXLZFLKAVQGONW-UHFFFAOYSA-N -1 0 321.402 2.275 50 0 DEAARM CCc1nnc([N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)o1 ZINC000451074353 406040109 /nfs/dbraw/zinc/04/01/09/406040109.db2.gz PJTPMTIXOXFPON-UHFFFAOYSA-N -1 0 319.745 2.366 50 0 DEAARM O=C([O-])C[C@@H]1CCCN(S(=O)(=O)c2cccc3ccoc32)C1 ZINC000570533574 292489530 /nfs/dbraw/zinc/48/95/30/292489530.db2.gz 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/nfs/dbraw/zinc/85/32/76/424853276.db2.gz BNKLUFSZPHPSBQ-WCBMZHEXSA-N -1 0 304.371 2.035 50 0 DEAARM COc1cccc([C@@H](NC(=O)c2ccn(C(C)C)n2)C(=O)[O-])c1 ZINC000659175742 425540997 /nfs/dbraw/zinc/54/09/97/425540997.db2.gz RJVIYQFEYDRAQU-CQSZACIVSA-N -1 0 317.345 2.028 50 0 DEAARM CC(C)[C@@H]1OCC[C@@H]1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000663142713 425805547 /nfs/dbraw/zinc/80/55/47/425805547.db2.gz XPUHJQOIHJYLAA-ZQIUZPCESA-N -1 0 305.374 2.164 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C\c2ccc(Cl)s2)CCO1 ZINC000221229034 268573818 /nfs/dbraw/zinc/57/38/18/268573818.db2.gz VWOVLEJQELMRIJ-FIFYQCSRSA-N -1 0 315.778 2.117 50 0 DEAARM CC(=O)Nc1ccc(/C=C\C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000098055495 278187632 /nfs/dbraw/zinc/18/76/32/278187632.db2.gz QGNFSIYBAOSRSP-XMELGKRDSA-N -1 0 316.357 2.124 50 0 DEAARM CC1(C)[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)[C@@H]1C(=O)[O-] ZINC000070666375 281464754 /nfs/dbraw/zinc/46/47/54/281464754.db2.gz HPVJYDOAPSFAGJ-LSDHHAIUSA-N -1 0 312.369 2.409 50 0 biogenic DEAARM CC1(C)[C@H](C(=O)Nc2ccc(Br)cn2)[C@@H]1C(=O)[O-] ZINC000071280140 281465708 /nfs/dbraw/zinc/46/57/08/281465708.db2.gz FEOIIGRMOBHIIJ-DTWKUNHWSA-N -1 0 313.151 2.139 50 0 DEAARM CC1=C(C)C[C@H](C(=O)Nc2sccc2C(N)=O)[C@@H](C(=O)[O-])C1 ZINC000017056029 281664258 /nfs/dbraw/zinc/66/42/58/281664258.db2.gz IUOTZCLCDAGPOC-QWRGUYRKSA-N -1 0 322.386 2.233 50 0 DEAARM CO[N-]C(=O)[C@@H](NC(=O)C12CC3CC(CC(C3)C1)C2)C(C)C ZINC000058393721 293373520 /nfs/dbraw/zinc/37/35/20/293373520.db2.gz IABPWJMKMOKNNU-ZZTKBFGJSA-N -1 0 308.422 2.021 50 0 DEAARM COc1ccc(CCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1OC ZINC000095424669 295118202 /nfs/dbraw/zinc/11/82/02/295118202.db2.gz SHEOSIXOBJNDMM-HNNXBMFYSA-N -1 0 323.389 2.252 50 0 DEAARM COc1cccc2c1N(C(=O)N1CCC[C@H](C(=O)[O-])C1)CCC2 ZINC000058046851 295338195 /nfs/dbraw/zinc/33/81/95/295338195.db2.gz NOFDCGLPOAUFRQ-ZDUSSCGKSA-N -1 0 318.373 2.364 50 0 DEAARM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268998726 301016293 /nfs/dbraw/zinc/01/62/93/301016293.db2.gz XKSNOQUUPVUKKP-LLVKDONJSA-N -1 0 323.732 2.320 50 0 DEAARM Cc1c2ccccc2oc(=O)c1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000165533973 301019607 /nfs/dbraw/zinc/01/96/07/301019607.db2.gz KAICSOFHGQFNIT-NSHDSACASA-N -1 0 315.325 2.038 50 0 DEAARM Cc1cc(NC(=O)Nc2cccc(CCC(=O)[O-])c2)nn1C ZINC000262547922 301355598 /nfs/dbraw/zinc/35/55/98/301355598.db2.gz RZDPTVWZVFPDAO-UHFFFAOYSA-N -1 0 302.334 2.390 50 0 DEAARM Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C(=O)[O-])c(C)o1 ZINC000133706195 301396931 /nfs/dbraw/zinc/39/69/31/301396931.db2.gz XRMXLKDIBJHISE-CYBMUJFWSA-N -1 0 321.354 2.101 50 0 DEAARM CC(C)CN(CC(=O)[O-])C(=O)/C=C/c1ccc2c(c1)OCCO2 ZINC000328595104 527923162 /nfs/dbraw/zinc/92/31/62/527923162.db2.gz KWMNOGGGJXZHIX-GQCTYLIASA-N -1 0 319.357 2.040 50 0 DEAARM CCOc1cc(C(=O)N[C@H]2CC=CCC2)ccc1OCC(=O)[O-] ZINC000299753477 528235693 /nfs/dbraw/zinc/23/56/93/528235693.db2.gz YIJNPMPICLOVAL-ZDUSSCGKSA-N -1 0 319.357 2.387 50 0 DEAARM CC[C@](CNC(=O)c1cc(C)on1)(C(=O)[O-])c1ccccc1 ZINC000263114362 535869382 /nfs/dbraw/zinc/86/93/82/535869382.db2.gz XMAXYQSUGXVSEC-MRXNPFEDSA-N -1 0 302.330 2.145 50 0 DEAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CC=CC[C@@H]2C(F)(F)F)cn1 ZINC000888092958 635476649 /nfs/dbraw/zinc/47/66/49/635476649.db2.gz QOARWBIBSBZOHA-VHSXEESVSA-N -1 0 314.263 2.407 50 0 DEAARM CCCCS[C@@H](C)C(=O)Nc1cc(=O)n2[n-]c(C)cc2n1 ZINC000888099737 635542768 /nfs/dbraw/zinc/54/27/68/635542768.db2.gz PGYBVZNFDYPUGU-JTQLQIEISA-N -1 0 308.407 2.191 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@@H]2CCOc3ccccc32)n1 ZINC000170000620 643258323 /nfs/dbraw/zinc/25/83/23/643258323.db2.gz WQTHLPLGAXEHRD-SNVBAGLBSA-N -1 0 318.354 2.024 50 0 DEAARM C/C=C(/C)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000097036570 684054651 /nfs/dbraw/zinc/05/46/51/684054651.db2.gz PXDXRECDGLFNQE-SILGHJDOSA-N -1 0 304.321 2.385 50 0 DEAARM O=C(Cc1ccc2c(c1)CCO2)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000952963755 792810250 /nfs/dbraw/zinc/81/02/50/792810250.db2.gz IRHZHTZYMUFFNV-MQMHXKEQSA-N -1 0 317.385 2.171 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2cc(C)ccn2)cc1 ZINC000005740422 799090220 /nfs/dbraw/zinc/09/02/20/799090220.db2.gz FDVQJVZSEOSHCM-UHFFFAOYSA-N -1 0 305.359 2.209 50 0 DEAARM COc1ccc(Cl)cc1[C@H](C(=O)[O-])N(C)Cc1cc[nH]n1 ZINC001529158500 1070887034 /nfs/dbraw/zinc/88/70/34/1070887034.db2.gz FMQIXIBSLIZKIR-CYBMUJFWSA-N -1 0 309.753 2.329 50 0 DEAARM CCN(C[C@H]1CCCCO1)c1nc(SC)ncc1C(=O)[O-] ZINC001529161781 1070893150 /nfs/dbraw/zinc/89/31/50/1070893150.db2.gz PMZQAOIUWXRTNL-SNVBAGLBSA-N -1 0 311.407 2.292 50 0 DEAARM O=C([O-])[C@@H](Nc1nc(Cl)nc2nc[nH]c21)c1ccccc1 ZINC000095479612 185373520 /nfs/dbraw/zinc/37/35/20/185373520.db2.gz ZXKIODRNNOUGNB-QMMMGPOBSA-N -1 0 303.709 2.244 50 0 DEAARM CC[C@@H](NC(=O)CN1CCC[C@H]1C(=O)[O-])c1ccc(Cl)cc1 ZINC000236899574 529595594 /nfs/dbraw/zinc/59/55/94/529595594.db2.gz FVLCSHFLZQOMBE-KGLIPLIRSA-N -1 0 324.808 2.456 50 0 DEAARM O=c1[n-]c(CN(c2ccccc2)C2Cc3ccccc3C2)n[nH]1 ZINC000092643123 185331013 /nfs/dbraw/zinc/33/10/13/185331013.db2.gz CHNAGTHSXVOEOU-UHFFFAOYSA-N -1 0 306.369 2.272 50 0 DEAARM CC[C@@H](C)[C@@H](NC(=O)c1coc(Br)c1)C(=O)[O-] ZINC000096999728 185395867 /nfs/dbraw/zinc/39/58/67/185395867.db2.gz UFLKNIIOSSLTSK-HZGVNTEJSA-N -1 0 304.140 2.271 50 0 DEAARM CCOc1ccccc1[C@H](C(=O)[O-])N(C)Cc1nc(C)c[nH]1 ZINC000095388950 185351101 /nfs/dbraw/zinc/35/11/01/185351101.db2.gz HMEAFNIOVFAAHH-OAHLLOKOSA-N -1 0 303.362 2.375 50 0 DEAARM O=C([O-])c1cccc(NC(=O)CNC(=O)CCC2CCCC2)c1 ZINC000095424983 185361480 /nfs/dbraw/zinc/36/14/80/185361480.db2.gz PDLCPKFAYRHNRV-UHFFFAOYSA-N -1 0 318.373 2.410 50 0 DEAARM O=C(c1occc1-c1ccccc1)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095435103 185364540 /nfs/dbraw/zinc/36/45/40/185364540.db2.gz JLHFVCUDZDOPJO-ZDUSSCGKSA-N -1 0 323.356 2.480 50 0 DEAARM CC(C)[C@H](NC(=O)c1ccc2c(c1)ncn2C(C)C)C(=O)[O-] ZINC000097017537 185397870 /nfs/dbraw/zinc/39/78/70/185397870.db2.gz VBFKNANIZAEGNA-AWEZNQCLSA-N -1 0 303.362 2.456 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2ccc(C(F)(F)F)nc2)CC1 ZINC000036855252 190663605 /nfs/dbraw/zinc/66/36/05/190663605.db2.gz GBKUIQLNOAPMMR-UHFFFAOYSA-N -1 0 302.252 2.037 50 0 DEAARM Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2cn[nH]n2)c1 ZINC000133597444 539507908 /nfs/dbraw/zinc/50/79/08/539507908.db2.gz OQJOJIMVSXJLJB-UKRRQHHQSA-N -1 0 300.362 2.233 50 0 DEAARM Cn1cc([C@@H]2[C@H](C(=O)[O-])CCC(=O)N2Cc2ccsc2)cn1 ZINC000069738540 190808577 /nfs/dbraw/zinc/80/85/77/190808577.db2.gz URLKSZMOKSFRHK-TZMCWYRMSA-N -1 0 319.386 2.046 50 0 DEAARM O=C([O-])CCCCNC(=O)c1sccc1Br ZINC000070191323 190870079 /nfs/dbraw/zinc/87/00/79/190870079.db2.gz XEFUPHUSMSLJEK-UHFFFAOYSA-N -1 0 306.181 2.495 50 0 DEAARM CC(C)CN1CCN(Cc2ccc(CC(=O)[O-])cc2)[C@H](C)C1=O ZINC000072146193 191052827 /nfs/dbraw/zinc/05/28/27/191052827.db2.gz OXPGXWROIWFORQ-CQSZACIVSA-N -1 0 318.417 2.002 50 0 DEAARM O=S(=O)([N-]c1cccc(F)c1)c1cnn(-c2ccccn2)c1 ZINC000072238966 191081366 /nfs/dbraw/zinc/08/13/66/191081366.db2.gz NLYTUURHQOIAGU-UHFFFAOYSA-N -1 0 318.333 2.207 50 0 DEAARM O=C([O-])[C@@H]1CCCN1c1nnc(Cc2ccc(F)cc2)s1 ZINC000263397664 539789365 /nfs/dbraw/zinc/78/93/65/539789365.db2.gz IAIZUGOVNBXGPW-NSHDSACASA-N -1 0 307.350 2.321 50 0 DEAARM CCC(=O)Nc1ccc(NC(=O)N(C)C[C@@H](C)C(=O)[O-])cc1 ZINC000263496280 539789913 /nfs/dbraw/zinc/78/99/13/539789913.db2.gz QXEJQWSZFSOOPE-SNVBAGLBSA-N -1 0 307.350 2.220 50 0 DEAARM O=C([O-])CCCCCNS(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000001795932 180896635 /nfs/dbraw/zinc/89/66/35/180896635.db2.gz KSCDVQPHMGEIGX-UHFFFAOYSA-N -1 0 323.773 2.402 50 0 DEAARM O=C([O-])C1(NS(=O)(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000003863342 304034048 /nfs/dbraw/zinc/03/40/48/304034048.db2.gz PCSNDUHMIZCBDH-UHFFFAOYSA-N -1 0 317.794 2.406 50 0 DEAARM N#Cc1ccccc1[N-]S(=O)(=O)c1ccccc1C(=O)[O-] ZINC000006024065 353995438 /nfs/dbraw/zinc/99/54/38/353995438.db2.gz TZXSSRBJCAEYAJ-UHFFFAOYSA-N -1 0 302.311 2.057 50 0 DEAARM CSCC[C@H](NC(=O)c1cc2cc(C)ccc2n1C)C(=O)[O-] ZINC000004000322 181060339 /nfs/dbraw/zinc/06/03/39/181060339.db2.gz GOBBMNJYCBONRZ-LBPRGKRZSA-N -1 0 320.414 2.423 50 0 biogenic DEAARM COc1cc2c(cc1OC)[C@@H]([N-]C(=O)C(F)(F)F)CC2=O ZINC000004072836 181069643 /nfs/dbraw/zinc/06/96/43/181069643.db2.gz GFZBONQUPPOREX-QMMMGPOBSA-N -1 0 303.236 2.010 50 0 DEAARM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)[C@H]2C=C[C@@H]1O2 ZINC000004175176 181081996 /nfs/dbraw/zinc/08/19/96/181081996.db2.gz VNRZMUSBXJXIPM-RHYQMDGZSA-N -1 0 311.696 2.072 50 0 DEAARM O=C([N-][C@H](O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl ZINC000004429744 181108850 /nfs/dbraw/zinc/10/88/50/181108850.db2.gz PEQMUUMLEPJMCU-PVQJCKRUSA-N -1 0 309.791 2.161 50 0 DEAARM Cn1cc(S(=O)(=O)[N-]C(=O)C2=CCCCC2)c2ccccc21 ZINC000124873602 355810511 /nfs/dbraw/zinc/81/05/11/355810511.db2.gz NFYFCTWKAFPGNY-UHFFFAOYSA-N -1 0 318.398 2.484 50 0 DEAARM Cc1ccc(N2CCN(c3ncc(C(=O)[O-])c(C)n3)CC2)cc1 ZINC000169751161 355979787 /nfs/dbraw/zinc/97/97/87/355979787.db2.gz NPUIPIULKDYNQB-UHFFFAOYSA-N -1 0 312.373 2.118 50 0 DEAARM CSCC[C@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)C(=O)[O-] ZINC000170612788 355990281 /nfs/dbraw/zinc/99/02/81/355990281.db2.gz GLWCNFVRUSOYQA-VIFPVBQESA-N -1 0 307.774 2.481 50 0 DEAARM Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@H]2C=C[C@H](O2)[C@@H]1C(=O)[O-] ZINC000005276920 181225630 /nfs/dbraw/zinc/22/56/30/181225630.db2.gz HVIFAXMXRFHMBW-XQHKEYJVSA-N -1 0 307.733 2.241 50 0 DEAARM O=C([O-])COc1c(F)c(F)c(Br)c(F)c1F ZINC000005494300 181249484 /nfs/dbraw/zinc/24/94/84/181249484.db2.gz DIXVDMMPKZFPFQ-UHFFFAOYSA-N -1 0 303.005 2.469 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)Cc1cccc(F)c1)Cc1ccccc1 ZINC000195542037 356256173 /nfs/dbraw/zinc/25/61/73/356256173.db2.gz LBFCFSNJPDGFTP-OAHLLOKOSA-N -1 0 315.344 2.428 50 0 DEAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)c2ccoc2Cl)s1 ZINC000225574913 356276381 /nfs/dbraw/zinc/27/63/81/356276381.db2.gz HDYNUFJXMPTGDG-UHFFFAOYSA-N -1 0 320.779 2.125 50 0 DEAARM CCO[C@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000236908967 202065039 /nfs/dbraw/zinc/06/50/39/202065039.db2.gz XVYZBGOEANUXED-CYBMUJFWSA-N -1 0 305.374 2.056 50 0 DEAARM COc1ccc(CC(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000237174961 202176152 /nfs/dbraw/zinc/17/61/52/202176152.db2.gz ITKIIZUKYZKUMJ-CQSZACIVSA-N -1 0 305.374 2.341 50 0 DEAARM COc1ccc2c(CC(=O)N3CCCC[C@H]3C(=O)[O-])coc2c1 ZINC000237266818 202211237 /nfs/dbraw/zinc/21/12/37/202211237.db2.gz BUQHFVXWGXFTOI-AWEZNQCLSA-N -1 0 317.341 2.450 50 0 DEAARM O=S(=O)(Cc1ccccc1)[N-]c1nc2c(s1)COCC2 ZINC000179368520 199023729 /nfs/dbraw/zinc/02/37/29/199023729.db2.gz PFOONTLAHBHHKQ-UHFFFAOYSA-N -1 0 310.400 2.158 50 0 DEAARM COC(=O)c1cccc(CS(=O)(=O)[N-]c2onc(C)c2C)c1 ZINC000180139582 199122194 /nfs/dbraw/zinc/12/21/94/199122194.db2.gz ISCKXUDOBWFIPG-UHFFFAOYSA-N -1 0 324.358 2.020 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1F ZINC000237304329 202225256 /nfs/dbraw/zinc/22/52/56/202225256.db2.gz IGAZLGYRMBHOPX-HOSRBBHYSA-N -1 0 307.321 2.171 50 0 DEAARM COc1cccc(/C(C)=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)c1 ZINC000237352106 202241744 /nfs/dbraw/zinc/24/17/44/202241744.db2.gz ONJLBAYMZUDJIF-KQPPXVQYSA-N -1 0 303.358 2.422 50 0 DEAARM Cc1c2cccc(C)c2oc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237752353 202345508 /nfs/dbraw/zinc/34/55/08/202345508.db2.gz FWVXLFQMKXYSGI-GFCCVEGCSA-N -1 0 317.341 2.365 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 ZINC000237957333 202403399 /nfs/dbraw/zinc/40/33/99/202403399.db2.gz XOCJQSSKHMDDRR-VIFPVBQESA-N -1 0 317.263 2.017 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)CCc2ccc(Cl)s2)CCO1 ZINC000238047399 202428162 /nfs/dbraw/zinc/42/81/62/202428162.db2.gz VJJGQITYIVOMSB-VIFPVBQESA-N -1 0 317.794 2.036 50 0 DEAARM Cc1ccc(CN(CC(=O)[O-])S(=O)(=O)c2ccccc2)cc1 ZINC000006010847 181306072 /nfs/dbraw/zinc/30/60/72/181306072.db2.gz KFSZPJSLQYJIDL-UHFFFAOYSA-N -1 0 319.382 2.271 50 0 DEAARM COc1ccccc1/C(C)=C\C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000606441824 361008467 /nfs/dbraw/zinc/00/84/67/361008467.db2.gz ZVFZEOYQDFGHMZ-KXXVWKPMSA-N -1 0 303.358 2.422 50 0 DEAARM COc1ccc(OC)c(NC(=O)N[C@H](CC(C)C)C(=O)[O-])c1 ZINC000006364574 181334376 /nfs/dbraw/zinc/33/43/76/181334376.db2.gz DOCRVOWHIBVZGY-GFCCVEGCSA-N -1 0 310.350 2.325 50 0 DEAARM O=C([O-])[C@@H](CNC(=O)Cc1ccccc1F)c1ccccc1 ZINC000195529843 201398017 /nfs/dbraw/zinc/39/80/17/201398017.db2.gz OWUSAJPVQPAQPK-AWEZNQCLSA-N -1 0 301.317 2.353 50 0 DEAARM O=C([O-])c1ccccc1NC(=O)c1cccc(-n2cnnc2)c1 ZINC000006701465 181373482 /nfs/dbraw/zinc/37/34/82/181373482.db2.gz GDOCBZAMJVQZEO-UHFFFAOYSA-N -1 0 308.297 2.218 50 0 DEAARM Cc1ccc(C)n1-c1nnc(N2CCC[C@H](C(=O)[O-])C2)s1 ZINC000006750930 181383394 /nfs/dbraw/zinc/38/33/94/181383394.db2.gz YJNSMIPYOKXYPX-NSHDSACASA-N -1 0 306.391 2.247 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2ccc(Cl)s2)CCO1 ZINC000091293515 193032779 /nfs/dbraw/zinc/03/27/79/193032779.db2.gz VWOVLEJQELMRIJ-HDMKULJXSA-N -1 0 315.778 2.117 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccccc2F)C[C@H]1C1CC1 ZINC000091808657 193111268 /nfs/dbraw/zinc/11/12/68/193111268.db2.gz LYWGABGMXHMVAZ-UONOGXRCSA-N -1 0 305.349 2.328 50 0 DEAARM CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)c2cnn(CC3CC3)c2)C1 ZINC000630158685 367505801 /nfs/dbraw/zinc/50/58/01/367505801.db2.gz UJSFQWBYAZIBFF-AWEZNQCLSA-N -1 0 319.405 2.256 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)C1 ZINC000262076010 203192056 /nfs/dbraw/zinc/19/20/56/203192056.db2.gz CXAJWTONVLBZOQ-USBNGQNGSA-N -1 0 309.312 2.392 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CSc3ccccc32)o1 ZINC000094554400 193379531 /nfs/dbraw/zinc/37/95/31/193379531.db2.gz ZHDJRZBQJHOEHX-LLVKDONJSA-N -1 0 303.339 2.484 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000013170275 181836185 /nfs/dbraw/zinc/83/61/85/181836185.db2.gz LHPCZGNUMZFQFE-STMXVASLSA-N -1 0 319.357 2.040 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)Cn2ncc3ccccc32)c1 ZINC000097228662 193694901 /nfs/dbraw/zinc/69/49/01/193694901.db2.gz YCXSELMDVDOLNJ-UHFFFAOYSA-N -1 0 309.325 2.051 50 0 DEAARM COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(=O)[O-] ZINC000016624128 182054278 /nfs/dbraw/zinc/05/42/78/182054278.db2.gz HDSNKVIXGMWEFF-UHFFFAOYSA-N -1 0 313.375 2.004 50 0 DEAARM CS(=O)(=O)N(CC(=O)[O-])c1ccccc1Oc1ccccc1 ZINC000019737429 182140845 /nfs/dbraw/zinc/14/08/45/182140845.db2.gz BVVWZFYOVHDXHV-UHFFFAOYSA-N -1 0 321.354 2.330 50 0 DEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)c2ccc(C)nc2)c1 ZINC000023443612 182361415 /nfs/dbraw/zinc/36/14/15/182361415.db2.gz VVGQYMHEZGHRPZ-UHFFFAOYSA-N -1 0 320.370 2.142 50 0 DEAARM COc1ccc(OCc2noc(CSCCC(=O)[O-])n2)cc1 ZINC000024970114 182397198 /nfs/dbraw/zinc/39/71/98/182397198.db2.gz BYEYRYXJEDDQMS-UHFFFAOYSA-N -1 0 324.358 2.365 50 0 DEAARM CCCC[S@@](=N)(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000100982091 193806675 /nfs/dbraw/zinc/80/66/75/193806675.db2.gz IIJKAKPMCGGPSE-LADRHHBVSA-N -1 0 322.427 2.201 50 0 DEAARM O=C([O-])c1cc(Br)cnc1OC1CCOCC1 ZINC000040447909 183068100 /nfs/dbraw/zinc/06/81/00/183068100.db2.gz KYIYDXUGURRORT-UHFFFAOYSA-N -1 0 302.124 2.100 50 0 DEAARM CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000041543124 183201495 /nfs/dbraw/zinc/20/14/95/183201495.db2.gz SCTVOGFHFIZDFX-UHFFFAOYSA-N -1 0 309.318 2.349 50 0 DEAARM CN(Cc1csc(Br)c1)C(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000042362754 183259445 /nfs/dbraw/zinc/25/94/45/183259445.db2.gz NTXLUFHZBOFQMR-HTQZYQBOSA-N -1 0 318.192 2.190 50 0 DEAARM CC(=O)Nc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1F ZINC000042734011 183302959 /nfs/dbraw/zinc/30/29/59/183302959.db2.gz YMHMOQNRUPIYAQ-NEPJUHHUSA-N -1 0 320.320 2.390 50 0 DEAARM Cc1c2ccccc2sc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000043701102 183382157 /nfs/dbraw/zinc/38/21/57/183382157.db2.gz QVXFFRKAFFUZGC-LLVKDONJSA-N -1 0 305.355 2.135 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)N(Cc2ccco2)C2CC2)c1 ZINC000048234784 183630330 /nfs/dbraw/zinc/63/03/30/183630330.db2.gz VDFAMIYDJLPHTP-UHFFFAOYSA-N -1 0 321.354 2.331 50 0 DEAARM Cc1cc(NS(=O)(=O)C[C@H]2CCCCO2)cc(C(=O)[O-])c1 ZINC000285081881 218282945 /nfs/dbraw/zinc/28/29/45/218282945.db2.gz MJYGLALFLQHDGN-CYBMUJFWSA-N -1 0 313.375 2.004 50 0 DEAARM O=C(NC1CC1)[C@@H]1CCCN(C(=O)c2ccc([O-])c(Cl)c2)C1 ZINC000051444031 183827330 /nfs/dbraw/zinc/82/73/30/183827330.db2.gz KUNHPXQIRQZVNN-LLVKDONJSA-N -1 0 322.792 2.176 50 0 DEAARM O=C([O-])c1cc(N2C(=O)Nc3ccccc3N2O)ccc1O ZINC000020442580 304225568 /nfs/dbraw/zinc/22/55/68/304225568.db2.gz QHRLOBIAIAVPJU-UHFFFAOYSA-N -1 0 301.258 2.253 50 0 DEAARM COc1ccc(CNC(=O)[C@@H]2C[C@@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000268918643 207085983 /nfs/dbraw/zinc/08/59/83/207085983.db2.gz RDIWZXZPHLYWGO-ZJUUUORDSA-N -1 0 317.263 2.051 50 0 DEAARM COc1ccc(CNC(=O)[C@H]2C[C@H]2C(=O)[O-])c(C(F)(F)F)c1 ZINC000268918639 207084439 /nfs/dbraw/zinc/08/44/39/207084439.db2.gz RDIWZXZPHLYWGO-VHSXEESVSA-N -1 0 317.263 2.051 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)C(C)(C)c1ccc2c(c1)OCCO2 ZINC000268939596 207104930 /nfs/dbraw/zinc/10/49/30/207104930.db2.gz KECDKDVNQVTCNH-UHFFFAOYSA-N -1 0 321.373 2.059 50 0 DEAARM O=C([O-])CCn1ccn2nc(-c3ccc(Cl)cc3)cc2c1=O ZINC000057352145 184034713 /nfs/dbraw/zinc/03/47/13/184034713.db2.gz SYEWOTPVDVRTFS-UHFFFAOYSA-N -1 0 317.732 2.291 50 0 DEAARM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCCCCC1 ZINC000058431237 184117754 /nfs/dbraw/zinc/11/77/54/184117754.db2.gz KMKOBGYEGXUFLC-UHFFFAOYSA-N -1 0 310.419 2.464 50 0 DEAARM Cn1ccc([N-]S(=O)(=O)c2ccccc2C(F)(F)F)n1 ZINC000058457226 184119663 /nfs/dbraw/zinc/11/96/63/184119663.db2.gz VRGXDQAEMUWOCM-UHFFFAOYSA-N -1 0 305.281 2.240 50 0 DEAARM O=C([O-])c1ccc(-c2nc(O)c3c4ccccc4c(=O)[nH]n23)cc1 ZINC000008848147 304230659 /nfs/dbraw/zinc/23/06/59/304230659.db2.gz UWRDMLIOXVWPKI-UHFFFAOYSA-N -1 0 321.292 2.247 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(Br)cc2F)C1 ZINC000062117495 184206524 /nfs/dbraw/zinc/20/65/24/184206524.db2.gz CJHULMFEIGJLHU-ZETCQYMHSA-N -1 0 316.126 2.135 50 0 DEAARM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)NCC1CCC1 ZINC000065551145 184364458 /nfs/dbraw/zinc/36/44/58/184364458.db2.gz RJBDQWCYGKNSQV-UHFFFAOYSA-N -1 0 316.810 2.241 50 0 DEAARM CCOc1ccc(C(=O)N2CC[C@@H](C(=O)[O-])C2)cc1OCC ZINC000269204281 207323561 /nfs/dbraw/zinc/32/35/61/207323561.db2.gz SJPOBBKTSUWVFR-GFCCVEGCSA-N -1 0 307.346 2.031 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C/c2cc3c(c(Cl)c2)OCO3)C1 ZINC000269209486 207327454 /nfs/dbraw/zinc/32/74/54/207327454.db2.gz VEIPZIFJLOLTHB-TXXBHVLJSA-N -1 0 323.732 2.015 50 0 DEAARM Cc1ccc(-c2noc(-c3nsc(C(=O)[O-])c3N)n2)cc1 ZINC000071328557 256542873 /nfs/dbraw/zinc/54/28/73/256542873.db2.gz LEXKGLDNQLHEDY-UHFFFAOYSA-N -1 0 302.315 2.449 50 0 DEAARM Cc1cccnc1NC(=O)CCN=c1nc(CC(C)C)[n-]s1 ZINC000521395263 257240997 /nfs/dbraw/zinc/24/09/97/257240997.db2.gz MIDBUFWUKQSDCD-UHFFFAOYSA-N -1 0 319.434 2.303 50 0 DEAARM O=C([O-])[C@@H]1CCC(=O)N(CCc2cccnc2)[C@H]1c1ccco1 ZINC000071857695 184871067 /nfs/dbraw/zinc/87/10/67/184871067.db2.gz LIHHRTBNNKQDKQ-CZUORRHYSA-N -1 0 314.341 2.282 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2c(F)cccc2Br)C1 ZINC000122295334 195430048 /nfs/dbraw/zinc/43/00/48/195430048.db2.gz VMAKPZGXOWVYCM-ZETCQYMHSA-N -1 0 316.126 2.135 50 0 DEAARM C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccn(CC(=O)[O-])n2)o1 ZINC000122848852 195511725 /nfs/dbraw/zinc/51/17/25/195511725.db2.gz ZKOIFZCNHBYVFY-PEWKINPCSA-N -1 0 315.329 2.336 50 0 DEAARM Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]3[C@H]2C(=O)[O-])cnn1C(C)C ZINC000262871697 145308128 /nfs/dbraw/zinc/30/81/28/145308128.db2.gz GDZPRTGXWYBEDM-OBJOEFQTSA-N -1 0 305.378 2.098 50 0 DEAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 ZINC000003191652 401722507 /nfs/dbraw/zinc/72/25/07/401722507.db2.gz YMKFPZZZDXNJTL-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM O=C([O-])[C@H]1CS[C@H](c2ccc(F)c(Br)c2)N1 ZINC000000138335 401688430 /nfs/dbraw/zinc/68/84/30/401688430.db2.gz SSVDPXTWTDRXNH-RKDXNWHRSA-N -1 0 306.156 2.376 50 0 DEAARM O=C([O-])c1cc(Br)cn(Cc2ccccc2)c1=O ZINC000000170142 401688830 /nfs/dbraw/zinc/68/88/30/401688830.db2.gz HPWHNUKTQGMPDV-UHFFFAOYSA-N -1 0 308.131 2.357 50 0 DEAARM Cc1nc2ccccc2c(=O)n1[N-]C(=O)C(Cl)(Cl)Cl ZINC000000545748 401700530 /nfs/dbraw/zinc/70/05/30/401700530.db2.gz CUTVNNYVXCVUOQ-UHFFFAOYSA-N -1 0 320.563 2.145 50 0 DEAARM CC(C)Oc1ncc(C(=O)NCCCC(=O)[O-])cc1Cl ZINC000072291210 401706547 /nfs/dbraw/zinc/70/65/47/401706547.db2.gz OOUVNBXCBRHNJS-UHFFFAOYSA-N -1 0 300.742 2.117 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCCc1ccccc1 ZINC000002092145 401711576 /nfs/dbraw/zinc/71/15/76/401711576.db2.gz IOPNVZDAZXKDEU-INIZCTEOSA-N -1 0 312.369 2.224 50 0 biogenic DEAARM COc1cccc(-c2nc3ccccc3c(NCCO)n2)c1[O-] ZINC000002385977 401713409 /nfs/dbraw/zinc/71/34/09/401713409.db2.gz WMVVTQBOTOHEKN-UHFFFAOYSA-N -1 0 311.341 2.415 50 0 DEAARM COc1ccc(CC(=O)NC2(C(=O)[O-])CCCCC2)cc1OC ZINC000013168226 401797530 /nfs/dbraw/zinc/79/75/30/401797530.db2.gz ZPLAZTYQHXXHTJ-UHFFFAOYSA-N -1 0 321.373 2.150 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000013171230 401797758 /nfs/dbraw/zinc/79/77/58/401797758.db2.gz PDZKGOXPAAUOMT-QMMMGPOBSA-N -1 0 311.721 2.006 50 0 DEAARM COc1ccc(CNC(=O)c2ccc(F)cc2)cc1C(=O)[O-] ZINC000013392795 401799399 /nfs/dbraw/zinc/79/93/99/401799399.db2.gz MPTCOJDOVZBSEA-UHFFFAOYSA-N -1 0 303.289 2.463 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@H]1CCCC[C@H]1C ZINC000013419798 401799849 /nfs/dbraw/zinc/79/98/49/401799849.db2.gz GMZSDJUITHYOPP-YPMHNXCESA-N -1 0 321.373 2.467 50 0 DEAARM CCO[N-]C(=O)c1nn(-c2ccccc2)c(=O)c2ccccc21 ZINC000014076137 401806484 /nfs/dbraw/zinc/80/64/84/401806484.db2.gz RABCNSUJOLNCOU-UHFFFAOYSA-N -1 0 309.325 2.067 50 0 DEAARM COc1cc(NC(=O)c2ccccc2O)c(C(=O)[O-])cc1OC ZINC000008855811 401757769 /nfs/dbraw/zinc/75/77/69/401757769.db2.gz DAZNIWLAAZKQLZ-UHFFFAOYSA-N -1 0 317.297 2.360 50 0 DEAARM CCSc1nn2c([n-]1)nc(CSc1ncccn1)cc2=O ZINC000009936024 401766606 /nfs/dbraw/zinc/76/66/06/401766606.db2.gz OMAHWQAEHWFZCZ-UHFFFAOYSA-N -1 0 320.403 2.024 50 0 DEAARM Cc1nn(CC(=O)[O-])c2nc(-c3cnn(C)c3)cc(C(F)F)c12 ZINC000012395300 401784268 /nfs/dbraw/zinc/78/42/68/401784268.db2.gz WEYXLOSSDGDZCH-UHFFFAOYSA-N -1 0 321.287 2.162 50 0 DEAARM COCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])C12CCCC2 ZINC000026511207 401841057 /nfs/dbraw/zinc/84/10/57/401841057.db2.gz NQJLEFPWJXQZDX-CQSZACIVSA-N -1 0 303.358 2.270 50 0 biogenic DEAARM O=C([O-])CCN1CCO[C@H](c2cccc(Br)c2)C1 ZINC000116388850 401851260 /nfs/dbraw/zinc/85/12/60/401851260.db2.gz QBFKQCFCGWKFJB-LBPRGKRZSA-N -1 0 314.179 2.297 50 0 DEAARM CN(C)c1ccc([N-]S(=O)(=O)c2c(F)cccc2F)cn1 ZINC000078556718 401856053 /nfs/dbraw/zinc/85/60/53/401856053.db2.gz WVNXIPSEBDNYKP-UHFFFAOYSA-N -1 0 313.329 2.227 50 0 DEAARM O=C(CCc1cc(=O)[n-]o1)N1CC[C@@H](c2ccccc2F)C1 ZINC000077440144 401815340 /nfs/dbraw/zinc/81/53/40/401815340.db2.gz MEHNYKKOQDJUIA-LLVKDONJSA-N -1 0 304.321 2.468 50 0 DEAARM CCCOc1ccc(CCC(=O)N2CCC[C@H]2C(=O)[O-])cc1 ZINC000033451765 401890611 /nfs/dbraw/zinc/89/06/11/401890611.db2.gz FYWNMBFPNYAJBX-HNNXBMFYSA-N -1 0 305.374 2.484 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2F)c[nH]1 ZINC000034957205 401894514 /nfs/dbraw/zinc/89/45/14/401894514.db2.gz NPXAUSCSXSIRND-UHFFFAOYSA-N -1 0 318.713 2.306 50 0 DEAARM COc1ccc(Cl)cc1CC(=O)NC1(C(=O)[O-])CCCC1 ZINC000037419517 401913535 /nfs/dbraw/zinc/91/35/35/401913535.db2.gz PYVLZOHTAHXCIS-UHFFFAOYSA-N -1 0 311.765 2.405 50 0 DEAARM O=S(=O)([N-]c1ccc(Cl)c2cccnc12)c1cn[nH]c1 ZINC000037791219 401917122 /nfs/dbraw/zinc/91/71/22/401917122.db2.gz INZGLVQROZPJIS-UHFFFAOYSA-N -1 0 308.750 2.412 50 0 DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])C(C)C)c(Cl)c1 ZINC000037994466 401919424 /nfs/dbraw/zinc/91/94/24/401919424.db2.gz KXRIQIQVJCXLKL-UHFFFAOYSA-N -1 0 305.783 2.132 50 0 DEAARM CCOc1ccc(C(=O)N[C@H](CC(=O)[O-])C2CC2)cc1OCC ZINC000089267929 401941140 /nfs/dbraw/zinc/94/11/40/401941140.db2.gz DBPMOCAGEOYFLQ-CYBMUJFWSA-N -1 0 321.373 2.467 50 0 DEAARM COc1cc(C)cc(OC)c1[C@@H](C(=O)[O-])N1CCSCC1 ZINC000095364489 402028594 /nfs/dbraw/zinc/02/85/94/402028594.db2.gz KWKSUFVTOMYKLN-AWEZNQCLSA-N -1 0 311.403 2.187 50 0 DEAARM CC[C@H](NC(=O)c1ccc(COc2ccccc2)o1)C(=O)[O-] ZINC000095377543 402029737 /nfs/dbraw/zinc/02/97/37/402029737.db2.gz WITBFDKXIUJZMW-ZDUSSCGKSA-N -1 0 303.314 2.452 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)CCOCC(F)(F)F ZINC000050921791 402029845 /nfs/dbraw/zinc/02/98/45/402029845.db2.gz DLBDQRVWGOVCTA-SNVBAGLBSA-N -1 0 311.300 2.201 50 0 DEAARM COc1ccccc1C(=O)Cc1nc(=O)c2sccc2[n-]1 ZINC000053847865 402060026 /nfs/dbraw/zinc/06/00/26/402060026.db2.gz CNXSOCIQUUUBOL-UHFFFAOYSA-N -1 0 300.339 2.419 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)[C@@H]1C[C@@H]1c1cccc(OC)c1)C(=O)[O-] ZINC000095969877 402038418 /nfs/dbraw/zinc/03/84/18/402038418.db2.gz QIBSCBHHGBNZGW-QOWREQOWSA-N -1 0 305.374 2.414 50 0 DEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)c1cnn(Cc2ccccc2)c1 ZINC000095970257 402038568 /nfs/dbraw/zinc/03/85/68/402038568.db2.gz PEFRQSFLFCFUED-KRWDZBQOSA-N -1 0 315.373 2.305 50 0 DEAARM C[C@H](CCc1cccn1C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000095976734 402040230 /nfs/dbraw/zinc/04/02/30/402040230.db2.gz RWMGJUBHXFJITR-GFCCVEGCSA-N -1 0 300.358 2.474 50 0 DEAARM Cc1ccc(C)c(CC(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC000095989708 402043281 /nfs/dbraw/zinc/04/32/81/402043281.db2.gz JLXGNTUQKSNVEW-UHFFFAOYSA-N -1 0 307.415 2.313 50 0 DEAARM O=C([N-]S(=O)(=O)[C@@H]1CC=CCC1)c1cccc2ncccc21 ZINC000095987696 402043345 /nfs/dbraw/zinc/04/33/45/402043345.db2.gz SCQCMXLVTUBYBS-GFCCVEGCSA-N -1 0 316.382 2.403 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C\c2nccs2)s1 ZINC000096294922 402076145 /nfs/dbraw/zinc/07/61/45/402076145.db2.gz CHXCOXOOVOCCAI-ARJAWSKDSA-N -1 0 314.413 2.031 50 0 DEAARM Cn1cc([N-]S(=O)(=O)c2cc(C(F)(F)F)ccc2F)cn1 ZINC000096403922 402078359 /nfs/dbraw/zinc/07/83/59/402078359.db2.gz CBICQXBOQCXIGZ-UHFFFAOYSA-N -1 0 323.271 2.379 50 0 DEAARM Cc1ccc(-c2nc(CC(=O)NC(C)(C)C(=O)[O-])cs2)o1 ZINC000096479944 402094135 /nfs/dbraw/zinc/09/41/35/402094135.db2.gz VOMKEADKEVPHBD-UHFFFAOYSA-N -1 0 308.359 2.233 50 0 DEAARM Cc1noc(C)c1[C@H](C)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097045086 402102081 /nfs/dbraw/zinc/10/20/81/402102081.db2.gz URWBOEUKLLUISR-GWCFXTLKSA-N -1 0 308.378 2.498 50 0 DEAARM Cc1ccccc1Cn1[nH][n-]c2c(=O)n(-c3ccccc3)c(=O)c1=2 ZINC000101167579 402143846 /nfs/dbraw/zinc/14/38/46/402143846.db2.gz AHSNKODKBLGZNY-HZPDHXFCSA-N -1 0 320.352 2.488 50 0 DEAARM [O-]c1c(Br)cc(-c2nn[nH]n2)cc1Br ZINC000101184852 402144225 /nfs/dbraw/zinc/14/42/25/402144225.db2.gz DQTJODISZGZEJW-UHFFFAOYSA-N -1 0 319.944 2.097 50 0 DEAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c1 ZINC000101167588 402144349 /nfs/dbraw/zinc/14/43/49/402144349.db2.gz IVSYLHPMOQHMOO-HZPDHXFCSA-N -1 0 320.352 2.488 50 0 DEAARM CCCCOc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347848 402144814 /nfs/dbraw/zinc/14/48/14/402144814.db2.gz RISIHKKZWLXCEN-CYBMUJFWSA-N -1 0 314.345 2.440 50 0 DEAARM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1nccs1 ZINC000101625439 402151762 /nfs/dbraw/zinc/15/17/62/402151762.db2.gz QCFDNVDPDDSKBK-GFCCVEGCSA-N -1 0 314.370 2.116 50 0 DEAARM CO[C@](C)(C(=O)NCc1nc(C(=O)[O-])cs1)c1ccccc1 ZINC000124370616 402177002 /nfs/dbraw/zinc/17/70/02/402177002.db2.gz JAWSURXXXWCYTB-HNNXBMFYSA-N -1 0 320.370 2.019 50 0 DEAARM Cn1cc([C@@H]2[C@@H](C(=O)[O-])CCC(=O)N2Cc2ccsc2)cn1 ZINC000069738542 402241250 /nfs/dbraw/zinc/24/12/50/402241250.db2.gz URLKSZMOKSFRHK-GXTWGEPZSA-N -1 0 319.386 2.046 50 0 DEAARM Cc1ccc(NC(=O)N[C@@H](C(=O)[O-])[C@@H]2CCOC2)cc1Cl ZINC000225708206 402321964 /nfs/dbraw/zinc/32/19/64/402321964.db2.gz ZWNMVAIMFZTRQS-BXKDBHETSA-N -1 0 312.753 2.260 50 0 DEAARM Cc1cccc2c1cnn2CCCNC(=O)CCCC(=O)[O-] ZINC000071196053 402271261 /nfs/dbraw/zinc/27/12/61/402271261.db2.gz GZPWHEUPAHFVOX-UHFFFAOYSA-N -1 0 303.362 2.106 50 0 DEAARM Cn1cc(/C=C(/C(=O)C(=O)[O-])c2ccc3ccccc3n2)cn1 ZINC000071793304 402278270 /nfs/dbraw/zinc/27/82/70/402278270.db2.gz MWZPLMSZIROEQB-MDWZMJQESA-N -1 0 307.309 2.163 50 0 DEAARM COc1ccc(-c2ccc(CC(=O)[O-])cn2)c(OC)c1OC ZINC000215785731 402284917 /nfs/dbraw/zinc/28/49/17/402284917.db2.gz BETQWZZHOIAOLY-UHFFFAOYSA-N -1 0 303.314 2.402 50 0 DEAARM O=C(c1ccc(F)cc1[O-])N1CCC[C@@H](c2ccncn2)C1 ZINC000215868948 402285752 /nfs/dbraw/zinc/28/57/52/402285752.db2.gz KDDWMFIWRNAXLR-LLVKDONJSA-N -1 0 301.321 2.341 50 0 DEAARM C/C=C(\C)C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-] ZINC000221728401 402304616 /nfs/dbraw/zinc/30/46/16/402304616.db2.gz PXDXRECDGLFNQE-WMKWSGJFSA-N -1 0 304.321 2.385 50 0 DEAARM COc1ncc(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)CCO2 ZINC000176718120 402330579 /nfs/dbraw/zinc/33/05/79/402330579.db2.gz IBYGTXABVDXBNI-UHFFFAOYSA-N -1 0 320.370 2.134 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H]2SCCc3sccc32)C1 ZINC000237649473 402416538 /nfs/dbraw/zinc/41/65/38/402416538.db2.gz DZOZZZKQWPSFSM-BXUZGUMPSA-N -1 0 311.428 2.402 50 0 DEAARM Cc1nc2cc(F)ccc2cc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237745987 402419358 /nfs/dbraw/zinc/41/93/58/402419358.db2.gz FZIJANIVAUYLQG-LLVKDONJSA-N -1 0 302.305 2.229 50 0 DEAARM Cc1c2cc(Cl)ccc2oc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237759959 402420263 /nfs/dbraw/zinc/42/02/63/402420263.db2.gz NUQJUISHMRHOLP-GFCCVEGCSA-N -1 0 323.732 2.320 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000238087315 402437517 /nfs/dbraw/zinc/43/75/17/402437517.db2.gz GFSYHHUBTYJTBN-CYBMUJFWSA-N -1 0 319.748 2.215 50 0 DEAARM O=C([O-])CN(C(=O)[C@H]1C[C@H]1c1cccc(F)c1)C1CCOCC1 ZINC000238105795 402438029 /nfs/dbraw/zinc/43/80/29/402438029.db2.gz IZWOUYZPMGVLKC-GJZGRUSLSA-N -1 0 321.348 2.021 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCO1 ZINC000238129921 402438712 /nfs/dbraw/zinc/43/87/12/402438712.db2.gz VUYMBEMYHFDTLW-MRXNPFEDSA-N -1 0 311.337 2.279 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2ccc(F)c(OC)c2)cn1 ZINC000241588515 402443574 /nfs/dbraw/zinc/44/35/74/402443574.db2.gz PDUKYYCIPSUKHW-UHFFFAOYSA-N -1 0 312.322 2.039 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)c2ccc(C3CCC3)cc2)CCO1 ZINC000192888060 402755392 /nfs/dbraw/zinc/75/53/92/402755392.db2.gz FEGIQJUHXFBNSO-HNNXBMFYSA-N -1 0 303.358 2.270 50 0 DEAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000263304354 402756323 /nfs/dbraw/zinc/75/63/23/402756323.db2.gz OCRGKMBMTBZJAI-LBPRGKRZSA-N -1 0 305.378 2.007 50 0 DEAARM COc1cc(C(=O)Nc2cnn(C(C)(C)C(=O)[O-])c2)ccc1F ZINC000193001846 402760531 /nfs/dbraw/zinc/76/05/31/402760531.db2.gz FABZKHUAFXEIRW-UHFFFAOYSA-N -1 0 321.308 2.103 50 0 DEAARM CC(C)(C)[C@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C[C@H]1O ZINC000263440163 402769318 /nfs/dbraw/zinc/76/93/18/402769318.db2.gz PNZYGNOMNGVDRA-UONOGXRCSA-N -1 0 305.374 2.254 50 0 DEAARM CC(C)(C)[C@@H]1CCN(C(=O)c2cccc(C(=O)[O-])c2)C[C@@H]1O ZINC000263440162 402769327 /nfs/dbraw/zinc/76/93/27/402769327.db2.gz PNZYGNOMNGVDRA-KGLIPLIRSA-N -1 0 305.374 2.254 50 0 DEAARM CN(C(=O)c1cc(C2CC2)on1)[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263448941 402770591 /nfs/dbraw/zinc/77/05/91/402770591.db2.gz NUPWOXDCTXDILT-AWEZNQCLSA-N -1 0 314.341 2.320 50 0 DEAARM Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)cc1F ZINC000263465263 402771668 /nfs/dbraw/zinc/77/16/68/402771668.db2.gz CMVXTNHSLZEUCX-QWRGUYRKSA-N -1 0 315.366 2.008 50 0 DEAARM Cc1ccc(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cn1 ZINC000265592567 402931744 /nfs/dbraw/zinc/93/17/44/402931744.db2.gz PUVABTYZQFNHRG-KFWWJZLASA-N -1 0 302.374 2.177 50 0 DEAARM Cc1ccccc1[C@@]1(CC(=O)[O-])CC(=O)N(C2CCCC2)C1=O ZINC000299782549 403572950 /nfs/dbraw/zinc/57/29/50/403572950.db2.gz GBIPDFYKCXHOCZ-SFHVURJKSA-N -1 0 315.369 2.409 50 0 DEAARM CC(C)C[C@H](CC(=O)[O-])NC(=O)CN1Cc2ccccc2C1 ZINC000426493961 405363674 /nfs/dbraw/zinc/36/36/74/405363674.db2.gz FKWNXGUUXOBHTR-OAHLLOKOSA-N -1 0 304.390 2.008 50 0 DEAARM CN(C)c1cc(N2C[C@@H](C(=O)[O-])C3(C2)CCCCC3)ncn1 ZINC000575608957 406813474 /nfs/dbraw/zinc/81/34/74/406813474.db2.gz QGSIFBKMHUBYNP-LBPRGKRZSA-N -1 0 304.394 2.014 50 0 DEAARM Cn1cc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)cn2)cn1 ZINC000069676117 418487839 /nfs/dbraw/zinc/48/78/39/418487839.db2.gz XFHAULMBTHPRFR-UHFFFAOYSA-N -1 0 314.370 2.283 50 0 DEAARM C[S@@](=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000299746508 229389689 /nfs/dbraw/zinc/38/96/89/229389689.db2.gz XVMSDNKOVXIZMQ-VERVWZFWSA-N -1 0 323.414 2.141 50 0 DEAARM COCCCCNC(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000047199560 424824259 /nfs/dbraw/zinc/82/42/59/424824259.db2.gz CFYTYTXESYUHBX-UHFFFAOYSA-N -1 0 307.375 2.154 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H]2Cc3ccccc3O2)c2ccccc21 ZINC000653333754 425464297 /nfs/dbraw/zinc/46/42/97/425464297.db2.gz SUYVVAOGKLWHOS-BFYDXBDKSA-N -1 0 323.348 2.420 50 0 DEAARM CC(C)C[C@@H]1COCCN1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000263452668 279034644 /nfs/dbraw/zinc/03/46/44/279034644.db2.gz GQTGFJGMLRBQBP-OAHLLOKOSA-N -1 0 320.389 2.341 50 0 DEAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000136493602 295317667 /nfs/dbraw/zinc/31/76/67/295317667.db2.gz IVFDWKUYKMDZGN-SOUVJXGZSA-N -1 0 303.358 2.264 50 0 DEAARM Cc1cc(OCC(=O)N2CCC[C@H]2CC(=O)[O-])ccc1Cl ZINC000042144923 301377165 /nfs/dbraw/zinc/37/71/65/301377165.db2.gz HPGGFDFOESXOLJ-NSHDSACASA-N -1 0 311.765 2.493 50 0 DEAARM Cc1ccnc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)c1 ZINC000100331639 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O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc2c[nH]nc2c1 ZINC000263456277 625430201 /nfs/dbraw/zinc/43/02/01/625430201.db2.gz UOYYGXTZZNHIFH-AWEZNQCLSA-N -1 0 315.373 2.351 50 0 DEAARM O=C(COCC1CC1)N=c1nc(-c2cccnc2Cl)[n-]s1 ZINC000585125269 790318993 /nfs/dbraw/zinc/31/89/93/790318993.db2.gz MDAIXQLOMHWIDO-UHFFFAOYSA-N -1 0 324.793 2.041 50 0 DEAARM COc1nc(C)c([N-]S(=O)(=O)c2ccc(F)cc2)c(C)n1 ZINC000585435961 778599127 /nfs/dbraw/zinc/59/91/27/778599127.db2.gz HYEIGONUGWJUJG-UHFFFAOYSA-N -1 0 311.338 2.042 50 0 DEAARM O=C([O-])c1cnc(N2CCC([C@H](O)c3cccs3)CC2)cn1 ZINC001529146792 1070881285 /nfs/dbraw/zinc/88/12/85/1070881285.db2.gz QHPVPAIVORRBFI-AWEZNQCLSA-N -1 0 319.386 2.186 50 0 DEAARM CCN(CC)C(=O)CSc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC000076565740 185024463 /nfs/dbraw/zinc/02/44/63/185024463.db2.gz CBPLNWJWVORBLX-UHFFFAOYSA-N -1 0 307.375 2.222 50 0 DEAARM O=c1nc(-c2ccnc(N3CCOCC3)c2)[n-]c2ccsc21 ZINC000096721137 185385726 /nfs/dbraw/zinc/38/57/26/185385726.db2.gz WQSWPFMXIHYWDC-UHFFFAOYSA-N -1 0 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O=C([O-])[C@H]1CCCN1C(=O)Cc1ccc(Br)cc1 ZINC000019256599 182111814 /nfs/dbraw/zinc/11/18/14/182111814.db2.gz KQUIRMJIPNJVOH-LLVKDONJSA-N -1 0 312.163 2.067 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1c(Cl)nc2ccccn21 ZINC000128590055 304178240 /nfs/dbraw/zinc/17/82/40/304178240.db2.gz IJPWBBURZIQPFG-SECBINFHSA-N -1 0 307.737 2.067 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)c1coc(Br)c1 ZINC000097050032 304179396 /nfs/dbraw/zinc/17/93/96/304179396.db2.gz KKGUBOSICDDCFY-MRVPVSSYSA-N -1 0 302.124 2.121 50 0 DEAARM COc1cc(OC)cc(C(=O)Nc2ccc(O)c(C(=O)[O-])c2)c1 ZINC000020143296 182191736 /nfs/dbraw/zinc/19/17/36/182191736.db2.gz VHQWYZLUFWOMBU-UHFFFAOYSA-N -1 0 317.297 2.360 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1cc(Cl)c[nH]1 ZINC000022186260 182312132 /nfs/dbraw/zinc/31/21/32/182312132.db2.gz VOEKICXMZJUTNH-UHFFFAOYSA-N -1 0 322.777 2.238 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C\c1cc2c(c(Cl)c1)OCO2 ZINC000492324245 304184683 /nfs/dbraw/zinc/18/46/83/304184683.db2.gz XPQFUMWXLYYESF-DLRQAJBASA-N -1 0 323.732 2.158 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C)s1 ZINC000024070090 182374179 /nfs/dbraw/zinc/37/41/79/182374179.db2.gz DTYYVGWYIIRDPC-UHFFFAOYSA-N -1 0 310.400 2.265 50 0 DEAARM COc1ccc(NC(=O)c2nnc(CCCC(=O)[O-])s2)cc1 ZINC000034928811 182745134 /nfs/dbraw/zinc/74/51/34/182745134.db2.gz YMBMMPBSKQTCEZ-UHFFFAOYSA-N -1 0 321.358 2.206 50 0 DEAARM COc1ccc(COC(=O)[C@H](C(=O)[O-])c2ccc(O)cc2)cc1 ZINC000038634503 183004569 /nfs/dbraw/zinc/00/45/69/183004569.db2.gz JHALLYTYXLWETG-HNNXBMFYSA-N -1 0 316.309 2.312 50 0 DEAARM COc1cccc2ccn(CCC(=O)N[C@H](C(=O)[O-])C(C)C)c21 ZINC000040312883 183054214 /nfs/dbraw/zinc/05/42/14/183054214.db2.gz FIODSQFYESBKLW-HNNXBMFYSA-N -1 0 318.373 2.265 50 0 biogenic DEAARM O=C([O-])CCN(C(=O)/C=C\c1ccccc1)C1CCOCC1 ZINC000493727839 249377086 /nfs/dbraw/zinc/37/70/86/249377086.db2.gz QPTCRYACGVMXAI-SREVYHEPSA-N -1 0 303.358 2.182 50 0 DEAARM CC(=O)Nc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1F ZINC000042734017 183303030 /nfs/dbraw/zinc/30/30/30/183303030.db2.gz YMHMOQNRUPIYAQ-VXGBXAGGSA-N -1 0 320.320 2.390 50 0 DEAARM COC(=O)[C@H]([N-]C(=O)C(F)(F)F)C12CC3CC(CC(C3)C1)C2 ZINC000003897105 291758013 /nfs/dbraw/zinc/75/80/13/291758013.db2.gz JIXLEAUFXZCQTF-RLFZITJJSA-N -1 0 319.323 2.423 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000062118241 184206811 /nfs/dbraw/zinc/20/68/11/184206811.db2.gz LCDYYBSYHVWXAB-VIFPVBQESA-N -1 0 303.236 2.132 50 0 DEAARM CCc1nnc2c(S(=O)(=O)[N-]c3cccc(C)c3)cccn12 ZINC000062591999 184244227 /nfs/dbraw/zinc/24/42/27/184244227.db2.gz KCJNYBAUJJGCBS-UHFFFAOYSA-N -1 0 316.386 2.401 50 0 DEAARM Cc1cn(C)c(CC(=O)NCc2ccccc2F)c1C(=O)[O-] ZINC000064774955 184303523 /nfs/dbraw/zinc/30/35/23/184303523.db2.gz FGZBYBXNHQBHCK-UHFFFAOYSA-N -1 0 304.321 2.030 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(c2cccc(COCc3ccco3)c2)C1 ZINC000069157757 184502151 /nfs/dbraw/zinc/50/21/51/184502151.db2.gz PMGWRRPFRWKALN-CYBMUJFWSA-N -1 0 315.325 2.434 50 0 DEAARM O=C([O-])c1cc2c([nH]c1=O)C[C@H](c1ccc(F)cc1)CC2=O ZINC000020800673 256529147 /nfs/dbraw/zinc/52/91/47/256529147.db2.gz XMIIQDRKCDIZNA-VIFPVBQESA-N -1 0 301.273 2.125 50 0 DEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)c1ccc2cc[nH]c2c1 ZINC000238109644 257237868 /nfs/dbraw/zinc/23/78/68/257237868.db2.gz GQUVFSLQWDIPBP-CQSZACIVSA-N -1 0 316.357 2.264 50 0 DEAARM CCOc1ccc(C(C)=O)cc1CN(C)Cc1n[n-]c(=O)o1 ZINC000521396487 257240083 /nfs/dbraw/zinc/24/00/83/257240083.db2.gz FZUSUMHFBNDBAL-UHFFFAOYSA-N -1 0 305.334 2.009 50 0 DEAARM O=C([O-])c1nccnc1C(=O)Nc1ccccc1OC(F)F ZINC000071282728 257270334 /nfs/dbraw/zinc/27/03/34/257270334.db2.gz ZKSOCKDLLNNOPN-UHFFFAOYSA-N -1 0 309.228 2.029 50 0 DEAARM COc1cc(C(=O)N(C)CCCC(=O)[O-])ccc1OC(F)F ZINC000071831260 184859729 /nfs/dbraw/zinc/85/97/29/184859729.db2.gz ODMKQMUBDPHRRL-UHFFFAOYSA-N -1 0 317.288 2.233 50 0 DEAARM CC(=O)N1CCC[C@H]1C(=O)Nc1ccc2[n-]c(=S)oc2c1 ZINC000121134329 195297750 /nfs/dbraw/zinc/29/77/50/195297750.db2.gz ZMCZWOIJDKGPMW-NSHDSACASA-N -1 0 305.359 2.066 50 0 DEAARM COc1cccc(/C(C)=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000128547954 195974027 /nfs/dbraw/zinc/97/40/27/195974027.db2.gz VUSQAFLKSJUHOM-BRADTZPFSA-N -1 0 303.358 2.422 50 0 DEAARM COC(=O)c1ccsc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000017031913 292028833 /nfs/dbraw/zinc/02/88/33/292028833.db2.gz JCLSTHHGAFIXJJ-BDAKNGLRSA-N -1 0 309.343 2.140 50 0 DEAARM Cc1ccc(N2CCN(c3nc(C(=O)[O-])cs3)CC2)cc1 ZINC000169676776 292135156 /nfs/dbraw/zinc/13/51/56/292135156.db2.gz KNKQCSQYBOOYBU-UHFFFAOYSA-N -1 0 303.387 2.476 50 0 DEAARM O=C([O-])[C@]1(C(F)(F)F)CCN(C(=O)[C@H]2Cc3ccccc32)C1 ZINC000261641337 145212883 /nfs/dbraw/zinc/21/28/83/145212883.db2.gz ACNNHGRPTQPDDR-FZMZJTMJSA-N -1 0 313.275 2.192 50 0 DEAARM O=C([O-])CCN1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000261776577 145224916 /nfs/dbraw/zinc/22/49/16/145224916.db2.gz AJOPJCSHMGFWKJ-LBPRGKRZSA-N -1 0 301.289 2.136 50 0 DEAARM O=C([O-])c1ccc(C(=O)NCCc2cnc(C3CC3)nc2)cc1 ZINC000262259188 145272529 /nfs/dbraw/zinc/27/25/29/145272529.db2.gz DJDWRZUVWJKGGU-UHFFFAOYSA-N -1 0 311.341 2.025 50 0 DEAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H](C)n1cccn1)c1ccccc1 ZINC000262547716 145292108 /nfs/dbraw/zinc/29/21/08/145292108.db2.gz WHTAZINFGFGYPV-SGMGOOAPSA-N -1 0 301.346 2.022 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1ccc2ccccc2c1)[C@H]1CCCOC1 ZINC000262720697 145301944 /nfs/dbraw/zinc/30/19/44/145301944.db2.gz DULCPBRDXMVVCH-JKSUJKDBSA-N -1 0 313.353 2.449 50 0 DEAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2ncsc2C(F)(F)F)C1 ZINC000262914107 145311162 /nfs/dbraw/zinc/31/11/62/145311162.db2.gz DVYYWNJKBXYPHV-LLVKDONJSA-N -1 0 322.308 2.489 50 0 DEAARM O=C([O-])c1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 ZINC000003201599 401722395 /nfs/dbraw/zinc/72/23/95/401722395.db2.gz KRYRINOVIRXGEB-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000006975232 401735152 /nfs/dbraw/zinc/73/51/52/401735152.db2.gz DTRKMNGCNYAJAY-UHFFFAOYSA-N -1 0 301.318 2.116 50 0 DEAARM O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 ZINC000007405435 401739640 /nfs/dbraw/zinc/73/96/40/401739640.db2.gz YZTWVECKZGEETK-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM Cc1ccc(C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000000085850 401687936 /nfs/dbraw/zinc/68/79/36/401687936.db2.gz JKKNHOYMARTPDL-AWEZNQCLSA-N -1 0 312.325 2.495 50 0 biogenic DEAARM Cc1cccc(N2CCN(C(=O)CCCC(=O)[O-])CC2)c1C ZINC000000204873 401690057 /nfs/dbraw/zinc/69/00/57/401690057.db2.gz LHGPPPOOEOQUFI-UHFFFAOYSA-N -1 0 304.390 2.207 50 0 DEAARM CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1 ZINC000000293351 401693341 /nfs/dbraw/zinc/69/33/41/401693341.db2.gz JRMZHAIDBWNOAA-ZIAGYGMSSA-N -1 0 304.346 2.475 50 0 DEAARM Cc1ccc(S(=O)(=O)N(CC(=O)[O-])c2ccc(F)cc2)cc1 ZINC000000379402 401696374 /nfs/dbraw/zinc/69/63/74/401696374.db2.gz AJIDBRPPICAPET-UHFFFAOYSA-N -1 0 323.345 2.414 50 0 DEAARM O=C([O-])[C@H]1CCC(=O)N1Cc1ccsc1Br ZINC000000395954 401696735 /nfs/dbraw/zinc/69/67/35/401696735.db2.gz LUTAUIUJHFZIPL-SSDOTTSWSA-N -1 0 304.165 2.086 50 0 DEAARM C[C@@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000000425340 401697615 /nfs/dbraw/zinc/69/76/15/401697615.db2.gz GBMUJZLDBZYWLO-LLVKDONJSA-N -1 0 317.414 2.318 50 0 DEAARM CC1=C(C)C[C@H](C(=O)[O-])[C@H](C(=O)NCC(=O)c2ccccc2)C1 ZINC000000858622 401703304 /nfs/dbraw/zinc/70/33/04/401703304.db2.gz PGUVEKVRFRKTGZ-CABCVRRESA-N -1 0 315.369 2.433 50 0 DEAARM CC(C)CNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001295564 401705264 /nfs/dbraw/zinc/70/52/64/401705264.db2.gz NCRNATJFLDFNFD-UHFFFAOYSA-N -1 0 300.358 2.039 50 0 DEAARM CCOc1ccccc1C(=O)Nc1cnn(CCCC(=O)[O-])c1 ZINC000001424797 401707270 /nfs/dbraw/zinc/70/72/70/401707270.db2.gz SDOFKNOITAFDDV-UHFFFAOYSA-N -1 0 317.345 2.399 50 0 DEAARM Cc1cccc(OCC(=O)Nc2cnn(CCCC(=O)[O-])c2)c1 ZINC000001424803 401707450 /nfs/dbraw/zinc/70/74/50/401707450.db2.gz AJWOXCIBXSCNAT-UHFFFAOYSA-N -1 0 317.345 2.074 50 0 DEAARM Cc1ccccc1N(CC(=O)[O-])S(=O)(=O)c1ccccc1 ZINC000001618829 401709293 /nfs/dbraw/zinc/70/92/93/401709293.db2.gz NEYAJGGMLUBRQR-UHFFFAOYSA-N -1 0 305.355 2.275 50 0 DEAARM CCCNC(=O)[N-]S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000001690786 401709852 /nfs/dbraw/zinc/70/98/52/401709852.db2.gz MFSBMDDDBZVNEO-UHFFFAOYSA-N -1 0 311.190 2.391 50 0 DEAARM O=C(Cc1ccccc1)N[C@H](c1ccccc1)[P@@](=O)([O-])CO ZINC000002310350 401712598 /nfs/dbraw/zinc/71/25/98/401712598.db2.gz ZIAUXIMIUNGMMU-INIZCTEOSA-N -1 0 319.297 2.264 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](Cc1ccc(F)c(F)c1)C(=O)[O-] ZINC000002567671 401715410 /nfs/dbraw/zinc/71/54/10/401715410.db2.gz CYAOPVHXASZUDE-NSHDSACASA-N -1 0 301.289 2.485 50 0 DEAARM CCCOc1ccc(OCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013170727 401797830 /nfs/dbraw/zinc/79/78/30/401797830.db2.gz NWBHXPWLIINQTE-ZDUSSCGKSA-N -1 0 321.373 2.177 50 0 DEAARM COc1cc(OC)cc(C(=O)Nc2nc(CC(=O)[O-])cs2)c1 ZINC000013405961 401799474 /nfs/dbraw/zinc/79/94/74/401799474.db2.gz LNZPIYLPDMXKLU-UHFFFAOYSA-N -1 0 322.342 2.040 50 0 DEAARM CCOC(=O)c1ccc(-n2[n-]c(C(F)(F)F)cc2=O)cc1 ZINC000008253102 401750362 /nfs/dbraw/zinc/75/03/62/401750362.db2.gz NTYWMBMVNJBORQ-UHFFFAOYSA-N -1 0 300.236 2.361 50 0 DEAARM Cc1nnc2n1N=C(c1ccc(Cl)cc1)[C@@H](CC(=O)[O-])S2 ZINC000008391856 401752433 /nfs/dbraw/zinc/75/24/33/401752433.db2.gz YKIQXIVXPNWCPV-SNVBAGLBSA-N -1 0 322.777 2.441 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2c[nH]c3ncccc23)cc1 ZINC000075535496 401761858 /nfs/dbraw/zinc/76/18/58/401761858.db2.gz MQAJJAZRMZAQOE-UHFFFAOYSA-N -1 0 303.343 2.372 50 0 DEAARM O=C([O-])c1sccc1S(=O)(=O)N1CCc2ccccc2C1 ZINC000009576716 401763944 /nfs/dbraw/zinc/76/39/44/401763944.db2.gz DTKJYYPJXFMPGE-UHFFFAOYSA-N -1 0 323.395 2.193 50 0 DEAARM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cnn(C(C)C)c1 ZINC000076082275 401780988 /nfs/dbraw/zinc/78/09/88/401780988.db2.gz KXFNOMUVJIBUFR-UHFFFAOYSA-N -1 0 309.391 2.066 50 0 DEAARM Cc1c(Cl)cccc1N(CCCC(=O)[O-])S(C)(=O)=O ZINC000113894872 401786692 /nfs/dbraw/zinc/78/66/92/401786692.db2.gz MWJBYKPRRNAXQV-UHFFFAOYSA-N -1 0 305.783 2.279 50 0 DEAARM O=C([O-])CCCC(=O)Nc1ccn(Cc2ccc(F)cc2)n1 ZINC000012649819 401789555 /nfs/dbraw/zinc/78/95/55/401789555.db2.gz MYASFWCTVSBMPM-UHFFFAOYSA-N -1 0 305.309 2.264 50 0 DEAARM NC(=O)c1ccc(CSc2nc(CC(=O)[O-])cs2)cc1 ZINC000012925380 401793943 /nfs/dbraw/zinc/79/39/43/401793943.db2.gz DIUXZTRHKZEOAI-UHFFFAOYSA-N -1 0 308.384 2.161 50 0 DEAARM O=C([O-])[C@@H](CO)Nc1nc(-c2ccccc2)nc2ccccc21 ZINC000013056335 401795661 /nfs/dbraw/zinc/79/56/61/401795661.db2.gz TUTDJJOPMGCNMC-CQSZACIVSA-N -1 0 309.325 2.154 50 0 biogenic DEAARM CCCNc1ncc(-c2nccn2-c2cncc(C(=O)[O-])c2)cn1 ZINC000077505064 401818016 /nfs/dbraw/zinc/81/80/16/401818016.db2.gz FNBAXUSICDRWOG-UHFFFAOYSA-N -1 0 324.344 2.244 50 0 DEAARM O=C([O-])c1ccnc(-c2ccnc(NCCc3ccccn3)n2)c1 ZINC000077521942 401818747 /nfs/dbraw/zinc/81/87/47/401818747.db2.gz XNBTVCRATGWKAM-UHFFFAOYSA-N -1 0 321.340 2.286 50 0 DEAARM COC(=O)c1ccc(F)c([N-]S(=O)(=O)c2cccs2)c1 ZINC000026238160 401839366 /nfs/dbraw/zinc/83/93/66/401839366.db2.gz RVASYGXDHSTJJM-UHFFFAOYSA-N -1 0 315.347 2.475 50 0 DEAARM Cc1nn(C)c([N-]S(=O)(=O)c2ccc3c(c2)CCC3)c1C ZINC000078612505 401858376 /nfs/dbraw/zinc/85/83/76/401858376.db2.gz KFIUFZODDFBYLN-UHFFFAOYSA-N -1 0 305.403 2.326 50 0 DEAARM Cn1cnnc1-c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000032596090 401880363 /nfs/dbraw/zinc/88/03/63/401880363.db2.gz JTGLGWPVQSLSHU-UHFFFAOYSA-N -1 0 320.399 2.344 50 0 DEAARM CC[C@H](C)NC(=O)CCc1nnc(-c2ccc(C)cc2)[n-]c1=O ZINC000034768757 401894106 /nfs/dbraw/zinc/89/41/06/401894106.db2.gz FRTPRZYGIKSUDU-LBPRGKRZSA-N -1 0 314.389 2.400 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2cccc3cccnc32)nn1C ZINC000035670697 401900617 /nfs/dbraw/zinc/90/06/17/401900617.db2.gz BAFBIOUXYUMPJH-UHFFFAOYSA-N -1 0 302.359 2.078 50 0 DEAARM C[C@H](Oc1cccc(Cl)c1)C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000036966284 401909483 /nfs/dbraw/zinc/90/94/83/401909483.db2.gz KZVSVQPFSQLBIH-QWRGUYRKSA-N -1 0 311.765 2.431 50 0 DEAARM CC(=O)Nc1ccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])cc1 ZINC000084774057 401910387 /nfs/dbraw/zinc/91/03/87/401910387.db2.gz QGNFSIYBAOSRSP-VSGCLNPGSA-N -1 0 316.357 2.124 50 0 DEAARM CCCc1cc(C(=O)N2C[C@@H](OC)C[C@H]2C(=O)[O-])sc1C ZINC000037455058 401913875 /nfs/dbraw/zinc/91/38/75/401913875.db2.gz OTXPNOVQSMNQRC-RYUDHWBXSA-N -1 0 311.403 2.323 50 0 DEAARM O=C([O-])c1cccc(NS(=O)(=O)CCc2ccccc2)c1 ZINC000037462917 401914087 /nfs/dbraw/zinc/91/40/87/401914087.db2.gz NMCWIAAUCFVHEQ-UHFFFAOYSA-N -1 0 305.355 2.369 50 0 DEAARM Nc1ccc(S(=O)(=O)[N-]c2cnc3cccc(Cl)n23)cc1 ZINC000045067951 401953439 /nfs/dbraw/zinc/95/34/39/401953439.db2.gz ARQXNSOKULFUBS-UHFFFAOYSA-N -1 0 322.777 2.371 50 0 DEAARM CCCc1c(C(=O)N2CCC[C@@H](C(=O)[O-])C2)[nH]c(C)c1C(C)=O ZINC000136138802 401961329 /nfs/dbraw/zinc/96/13/29/401961329.db2.gz FBCDHIKGKLRGTQ-GFCCVEGCSA-N -1 0 320.389 2.415 50 0 DEAARM COc1ccccc1/C(C)=C/C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136164412 401962057 /nfs/dbraw/zinc/96/20/57/401962057.db2.gz ZVFZEOYQDFGHMZ-XSNHNAGMSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCOCC(F)(F)F ZINC000050921789 402029951 /nfs/dbraw/zinc/02/99/51/402029951.db2.gz DLBDQRVWGOVCTA-JTQLQIEISA-N -1 0 311.300 2.201 50 0 DEAARM Cc1nnc(CN(C)[C@@H](C(=O)[O-])c2ccc(F)c(Cl)c2)o1 ZINC000095379008 402030605 /nfs/dbraw/zinc/03/06/05/402030605.db2.gz XXHBPOYLVMPTNZ-GFCCVEGCSA-N -1 0 313.716 2.428 50 0 DEAARM Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N[C@@H](C)C(=O)[O-] ZINC000095970439 402038627 /nfs/dbraw/zinc/03/86/27/402038627.db2.gz YMIHHCUXNLNEJA-VMPCVLLUSA-N -1 0 313.357 2.092 50 0 DEAARM NC(=O)Nc1cccc(C(=O)NCCCCCCCC(=O)[O-])c1 ZINC000095991956 402043911 /nfs/dbraw/zinc/04/39/11/402043911.db2.gz JXXBCXDTVQLJKF-UHFFFAOYSA-N -1 0 321.377 2.332 50 0 DEAARM COC(=O)C[C@H](c1c([O-])nc2ccc(Cl)cn2c1=O)C(C)C ZINC000096116823 402060849 /nfs/dbraw/zinc/06/08/49/402060849.db2.gz BJJBHADNYWRELB-JTQLQIEISA-N -1 0 324.764 2.356 50 0 DEAARM O=C(NCCCO[C@@H]1CCOC1)c1ccc2[n-]c(=S)oc2c1 ZINC000150876344 402002056 /nfs/dbraw/zinc/00/20/56/402002056.db2.gz BLOLWLOFTCVVLV-LLVKDONJSA-N -1 0 322.386 2.042 50 0 DEAARM O=C([O-])CCn1cc(CN2CCCC[C@@H]2c2ccccn2)cn1 ZINC000097243766 402120060 /nfs/dbraw/zinc/12/00/60/402120060.db2.gz WIECXIXYCQYUSY-MRXNPFEDSA-N -1 0 314.389 2.480 50 0 DEAARM CCCCNC(=O)CN(C)[C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC000055414480 402081509 /nfs/dbraw/zinc/08/15/09/402081509.db2.gz SLCLVPWHHSRKRN-HNNXBMFYSA-N -1 0 310.369 2.108 50 0 DEAARM O=C([O-])C[C@@H]1COCCN1C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055415089 402081865 /nfs/dbraw/zinc/08/18/65/402081865.db2.gz GTQGJRPQJNZGGO-GNFNDJEDSA-N -1 0 321.417 2.295 50 0 DEAARM O=C(c1cc(Cl)cc(Br)c1[O-])N1CC[C@@H](O)C1 ZINC000096469194 402093092 /nfs/dbraw/zinc/09/30/92/402093092.db2.gz WCLIYFCYIHQNFZ-SSDOTTSWSA-N -1 0 320.570 2.015 50 0 DEAARM Cn1cc(CCC(=O)N2CCC[C@H](C(=O)[O-])C2)c2ccccc21 ZINC000097035297 402100724 /nfs/dbraw/zinc/10/07/24/402100724.db2.gz WTRVEBFLFZLVSG-AWEZNQCLSA-N -1 0 314.385 2.434 50 0 DEAARM CN(C[C@H]1CCCCO1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097080083 402104388 /nfs/dbraw/zinc/10/43/88/402104388.db2.gz BDCIWSBMYZGUTL-MRVPVSSYSA-N -1 0 303.280 2.451 50 0 DEAARM O=C([O-])C1CCN(c2ccc3nnc(-c4ccccc4)n3n2)CC1 ZINC000062716033 402110124 /nfs/dbraw/zinc/11/01/24/402110124.db2.gz LMXACNYXZKBPOO-UHFFFAOYSA-N -1 0 323.356 2.092 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2c(F)cccc2Cl)c[nH]c1=O ZINC000097146235 402111619 /nfs/dbraw/zinc/11/16/19/402111619.db2.gz WWPNQQDBGCRMPW-UHFFFAOYSA-N -1 0 316.741 2.277 50 0 DEAARM CC(C)CCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662774 402142143 /nfs/dbraw/zinc/14/21/43/402142143.db2.gz YCUVQCLVSZUQPX-UHFFFAOYSA-N -1 0 314.385 2.429 50 0 biogenic DEAARM COc1ccc(-c2cc3[n-]c(=S)n(N)c(=O)c3s2)cc1 ZINC000103672516 402193555 /nfs/dbraw/zinc/19/35/55/402193555.db2.gz ICEVAFRAXVISGC-UHFFFAOYSA-N -1 0 305.384 2.136 50 0 DEAARM Cc1cc(-c2nnc([N-]S(=O)(=O)c3cccnc3)o2)c(C)o1 ZINC000153639890 402159471 /nfs/dbraw/zinc/15/94/71/402159471.db2.gz GUBSDHAQBUINHI-UHFFFAOYSA-N -1 0 320.330 2.142 50 0 DEAARM CNC(=O)c1ccc(-n2cc(C(=O)[O-])c(-c3ccccc3)n2)o1 ZINC000067804032 402173300 /nfs/dbraw/zinc/17/33/00/402173300.db2.gz QIADWQRPMSSLED-UHFFFAOYSA-N -1 0 311.297 2.190 50 0 DEAARM CCOC(=O)N=c1[n-]nc(SCc2cnc(C)cn2)s1 ZINC000069570583 402231477 /nfs/dbraw/zinc/23/14/77/402231477.db2.gz FTEXWHDXHYBGAB-UHFFFAOYSA-N -1 0 311.392 2.497 50 0 DEAARM COCCN1C(=O)C[C@H](C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000069814045 402245250 /nfs/dbraw/zinc/24/52/50/402245250.db2.gz GAWYAVVKHFOUSA-TVQRCGJNSA-N -1 0 315.728 2.100 50 0 DEAARM CCCCc1ccc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cc1 ZINC000219925597 402300209 /nfs/dbraw/zinc/30/02/09/402300209.db2.gz GNVXQKVURDJTDC-OAHLLOKOSA-N -1 0 305.374 2.345 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)/C=C\c2ccccc2Cl)CCO1 ZINC000221085978 402302733 /nfs/dbraw/zinc/30/27/33/402302733.db2.gz WOUPNIJZWTZHGR-FJOGCWAESA-N -1 0 309.749 2.055 50 0 DEAARM C[C@@H](CNC(=O)c1cccn1Cc1ccccc1)CC(=O)[O-] ZINC000225478586 402318505 /nfs/dbraw/zinc/31/85/05/402318505.db2.gz WMXIDECHDOVFQU-CYBMUJFWSA-N -1 0 300.358 2.377 50 0 DEAARM CC(C)[C@@H](C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1 ZINC000236642768 402370602 /nfs/dbraw/zinc/37/06/02/402370602.db2.gz MXBWJNQIMVITPO-GOEBONIOSA-N -1 0 305.374 2.128 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000237950361 402427273 /nfs/dbraw/zinc/42/72/73/402427273.db2.gz TWYJBKFTUNOHKV-MRVPVSSYSA-N -1 0 302.157 2.469 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 ZINC000237957629 402427583 /nfs/dbraw/zinc/42/75/83/402427583.db2.gz TWYJBKFTUNOHKV-QMMMGPOBSA-N -1 0 302.157 2.469 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000238069623 402436463 /nfs/dbraw/zinc/43/64/63/402436463.db2.gz SIWNVNZDRMRWDF-ZDUSSCGKSA-N -1 0 318.304 2.099 50 0 DEAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)c1cccc2[nH]ccc21 ZINC000238094583 402437615 /nfs/dbraw/zinc/43/76/15/402437615.db2.gz FISRTXJJXVRUDP-LBPRGKRZSA-N -1 0 316.357 2.264 50 0 DEAARM O=C([O-])CN(C(=O)c1cccc(F)c1Cl)C1CCOCC1 ZINC000238109641 402437688 /nfs/dbraw/zinc/43/76/88/402437688.db2.gz JJTIZFBWPDLAAR-UHFFFAOYSA-N -1 0 315.728 2.185 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)CC/C=C/c2ccccc2)CCO1 ZINC000238193233 402440583 /nfs/dbraw/zinc/44/05/83/402440583.db2.gz OVNWUQQULYPBLP-SGJXGLNRSA-N -1 0 303.358 2.182 50 0 DEAARM COc1ccsc1S(=O)(=O)[N-]c1n[nH]cc1SC ZINC000240555638 402442071 /nfs/dbraw/zinc/44/20/71/402442071.db2.gz GWUIYAITEXOFGY-UHFFFAOYSA-N -1 0 305.406 2.003 50 0 DEAARM CN(CCC(=O)[O-])C(=O)Cc1ccc(F)c(Br)c1 ZINC000242263396 402444817 /nfs/dbraw/zinc/44/48/17/402444817.db2.gz XYSRMCSFJKIXRW-UHFFFAOYSA-N -1 0 318.142 2.064 50 0 DEAARM O=C([O-])c1n[nH]c2c1CN(C(=O)c1cc(F)ccc1Cl)CC2 ZINC000243919519 402446805 /nfs/dbraw/zinc/44/68/05/402446805.db2.gz BOMJPIFCCWWRFI-UHFFFAOYSA-N -1 0 323.711 2.099 50 0 DEAARM C[C@@H](CN(C)C(=O)c1cc2cc(F)ccc2s1)c1nnn[n-]1 ZINC000187294608 402492410 /nfs/dbraw/zinc/49/24/10/402492410.db2.gz YTJJBUPHXXNBBN-QMMMGPOBSA-N -1 0 319.365 2.429 50 0 DEAARM O=C([O-])c1cccc2c1CCN2S(=O)(=O)c1ccccc1 ZINC000169676829 402501661 /nfs/dbraw/zinc/50/16/61/402501661.db2.gz DGMWLCXVRVUOTA-UHFFFAOYSA-N -1 0 303.339 2.136 50 0 DEAARM CC(=O)N1N=C(c2c([O-])cc(C)oc2=O)C[C@@H]1c1ccccc1 ZINC000170625900 402508591 /nfs/dbraw/zinc/50/85/91/402508591.db2.gz OMDAQRLBLMGVKC-CQSZACIVSA-N -1 0 312.325 2.351 50 0 DEAARM Cc1ccc(S(=O)(=O)NN=Cc2ccsc2C(=O)[O-])cc1 ZINC000252601931 402658917 /nfs/dbraw/zinc/65/89/17/402658917.db2.gz FEERDHJOXIHUOP-UHFFFAOYSA-N -1 0 324.383 2.067 50 0 DEAARM Cc1nc(-c2ccc(NC(=O)[C@@H]3CC[C@H](C(=O)[O-])C3)cc2)n[nH]1 ZINC000263359588 402762069 /nfs/dbraw/zinc/76/20/69/402762069.db2.gz XZGFWCBHYQIWIX-NEPJUHHUSA-N -1 0 314.345 2.220 50 0 DEAARM O=C([O-])c1coc(C(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000193109345 402765262 /nfs/dbraw/zinc/76/52/62/402765262.db2.gz GOJYMTFQNQXLIC-WFASDCNBSA-N -1 0 315.325 2.485 50 0 DEAARM CC(C)[C@@H](NC(=O)c1cc(C(=O)[O-])co1)c1nc(C2CC2)no1 ZINC000183784316 402797600 /nfs/dbraw/zinc/79/76/00/402797600.db2.gz UHUBWSGWJWOLEV-LLVKDONJSA-N -1 0 319.317 2.365 50 0 DEAARM Cc1c(C(=O)[O-])cnn1-c1nccc(-c2ccc3c(c2)OCO3)n1 ZINC000299799836 403578329 /nfs/dbraw/zinc/57/83/29/403578329.db2.gz UENUYXJVIPGCDP-UHFFFAOYSA-N -1 0 324.296 2.065 50 0 DEAARM CN(C[C@@]1(c2ccccc2)CC1(C)C)C(=O)NCCC(=O)[O-] ZINC000426403593 405357779 /nfs/dbraw/zinc/35/77/79/405357779.db2.gz SPUSYNRYJREDBT-QGZVFWFLSA-N -1 0 304.390 2.470 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)CSCC1CC1 ZINC000426545024 405368237 /nfs/dbraw/zinc/36/82/37/405368237.db2.gz JEQNCYCKRVVKNC-AWEZNQCLSA-N -1 0 305.399 2.168 50 0 DEAARM C[C@@H]1CCc2sc3ncn4nc(CCC(=O)[O-])nc4c3c2C1 ZINC000002194691 296767144 /nfs/dbraw/zinc/76/71/44/296767144.db2.gz BDRFPVSZSVUPQG-MRVPVSSYSA-N -1 0 316.386 2.481 50 0 DEAARM CCc1cc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)[O-])n(C)n1 ZINC000634803461 406291175 /nfs/dbraw/zinc/29/11/75/406291175.db2.gz WYVAEZVWWWPVDS-ABAIWWIYSA-N -1 0 315.373 2.174 50 0 DEAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)OCCCO3)n1 ZINC000069585831 418488305 /nfs/dbraw/zinc/48/83/05/418488305.db2.gz SFPNLLRMVJPHTN-UHFFFAOYSA-N -1 0 320.370 2.352 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(-c3ccccc3)cc2)CCO1 ZINC000299745055 229384821 /nfs/dbraw/zinc/38/48/21/229384821.db2.gz VUYMBEMYHFDTLW-INIZCTEOSA-N -1 0 311.337 2.279 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccnc(C2CC2)n1 ZINC000299748083 229391474 /nfs/dbraw/zinc/39/14/74/229391474.db2.gz FXTKVFVXGFIRAA-YUTCNCBUSA-N -1 0 315.373 2.212 50 0 DEAARM Cc1noc(C)c1CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC000653334201 425463844 /nfs/dbraw/zinc/46/38/44/425463844.db2.gz YLVZTXSRFWVZRO-LSDHHAIUSA-N -1 0 314.341 2.263 50 0 DEAARM CC(C)(C)c1ccc(-c2nnc(SCC(=O)[O-])n2N)cc1 ZINC000000244817 278559135 /nfs/dbraw/zinc/55/91/35/278559135.db2.gz ZIBDJMMHSBOWNC-UHFFFAOYSA-N -1 0 306.391 2.133 50 0 DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000003881822 280608056 /nfs/dbraw/zinc/60/80/56/280608056.db2.gz GSGREUANUSWPFE-LDDOYCOJSA-N -1 0 313.353 2.181 50 0 biogenic DEAARM CN1c2ccccc2Oc2ccc(C(=O)[O-])cc2S1(=O)=O ZINC000015109655 290320720 /nfs/dbraw/zinc/32/07/20/290320720.db2.gz FJTCXHPHCPPAQK-UHFFFAOYSA-N -1 0 305.311 2.316 50 0 DEAARM Cc1cc(S(=O)(=O)N2C[C@H]3CCC[C@@H]3C2)sc1C(=O)[O-] ZINC000123672656 301396009 /nfs/dbraw/zinc/39/60/09/301396009.db2.gz DKCZGHWWHDERHZ-NXEZZACHSA-N -1 0 315.416 2.175 50 0 DEAARM Cc1ccccc1[C@@H](C(=O)NC1(C(=O)[O-])CCCC1)N(C)C ZINC000095504759 302113674 /nfs/dbraw/zinc/11/36/74/302113674.db2.gz WWYUJSNHRSSLIP-AWEZNQCLSA-N -1 0 304.390 2.111 50 0 DEAARM C[C@H](NC(=O)/C=C\c1csc(Br)c1)C(=O)[O-] ZINC000380229496 333066598 /nfs/dbraw/zinc/06/65/98/333066598.db2.gz FSFWJSWNJOYIOR-GFNSNHMOSA-N -1 0 304.165 2.113 50 0 DEAARM Cc1oc(CNC(=O)[C@@H]2OCCc3ccccc32)cc1C(=O)[O-] ZINC000299745086 534544660 /nfs/dbraw/zinc/54/46/60/534544660.db2.gz WBKZTJZOPPUZOF-OAHLLOKOSA-N -1 0 315.325 2.216 50 0 DEAARM Cc1cccc(C(=O)N2CCC(c3n[nH]c(=O)[n-]3)CC2)c1C ZINC000328592164 534588282 /nfs/dbraw/zinc/58/82/82/534588282.db2.gz DZRNPKUTBPVODX-UHFFFAOYSA-N -1 0 300.362 2.147 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)Cc1ccc2c[nH]nc2c1 ZINC000263456283 640233726 /nfs/dbraw/zinc/23/37/26/640233726.db2.gz UOYYGXTZZNHIFH-CQSZACIVSA-N -1 0 315.373 2.351 50 0 DEAARM Cc1noc(CCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)n1 ZINC000095349924 641150025 /nfs/dbraw/zinc/15/00/25/641150025.db2.gz CHMQGVUIOIRVED-RUDMXATFSA-N -1 0 301.302 2.047 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000065490303 683923604 /nfs/dbraw/zinc/92/36/04/683923604.db2.gz OYPRABKWRHXWAZ-LBPRGKRZSA-N -1 0 321.336 2.463 50 0 DEAARM CO[C@H](CS(=O)(=O)[N-]c1nsc2ccccc21)C1CC1 ZINC000585129622 790325818 /nfs/dbraw/zinc/32/58/18/790325818.db2.gz PRZJANTYIXOSKM-LLVKDONJSA-N -1 0 312.416 2.463 50 0 DEAARM CN(Cc1cc(-c2ccccn2)no1)Cc1nc(C(=O)[O-])co1 ZINC001529105412 1070858997 /nfs/dbraw/zinc/85/89/97/1070858997.db2.gz ATHAPFQLBJVUIT-UHFFFAOYSA-N -1 0 314.301 2.055 50 0 DEAARM CN(Cc1nc(C(=O)[O-])co1)Cc1ccc2nsnc2c1 ZINC001529133336 1070874198 /nfs/dbraw/zinc/87/41/98/1070874198.db2.gz JGXJWASOXVYTJO-UHFFFAOYSA-N -1 0 304.331 2.010 50 0 DEAARM CCCn1nccc1NC(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC001529173012 1070903029 /nfs/dbraw/zinc/90/30/29/1070903029.db2.gz KTVLHYUXCPTBED-UHFFFAOYSA-N -1 0 303.318 2.252 50 0 DEAARM CC(C)(C)O[C@@H](O)N[C@H](Cc1ccc(Cl)cc1)C(=O)[O-] ZINC001537785281 1072321430 /nfs/dbraw/zinc/32/14/30/1072321430.db2.gz RFINNQPEUBQDTL-DGCLKSJQSA-N -1 0 301.770 2.016 50 0 DEAARM Cc1cccc([C@@H](C(=O)NCC2(C(=O)[O-])CCCC2)N(C)C)c1 ZINC000095502997 185375216 /nfs/dbraw/zinc/37/52/16/185375216.db2.gz MENAKJBBHIVHHV-HNNXBMFYSA-N -1 0 318.417 2.359 50 0 DEAARM CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccccn2)[C@H]1C(=O)[O-] ZINC000096675796 185385247 /nfs/dbraw/zinc/38/52/47/185385247.db2.gz FXGBMHVRXPPJEQ-AAEUAGOBSA-N -1 0 306.362 2.334 50 0 DEAARM COCCN(Cc1ccsc1)C(=O)[C@H]1CC[C@@H](C(=O)[O-])C1 ZINC000426401878 230794492 /nfs/dbraw/zinc/79/44/92/230794492.db2.gz NQDUTKJNZXDHKX-QWHCGFSZSA-N -1 0 311.403 2.224 50 0 DEAARM CSC[C@H](NC(=O)Cc1c(C)[nH]c2ccc(F)cc21)C(=O)[O-] ZINC000426443195 230798353 /nfs/dbraw/zinc/79/83/53/230798353.db2.gz IIVGVPYADDNYRG-ZDUSSCGKSA-N -1 0 324.377 2.090 50 0 DEAARM CCOC(=O)[C@](C)(C(=O)[O-])[C@@H]1CCc2cc(OC)ccc2C1 ZINC000082048692 192353500 /nfs/dbraw/zinc/35/35/00/192353500.db2.gz NYKDPNQDSCCMMR-DYVFJYSZSA-N -1 0 306.358 2.454 50 0 DEAARM O=C([O-])CC1(NC(=O)[C@H]2CCCc3ccccc32)CCOCC1 ZINC000095424855 185361450 /nfs/dbraw/zinc/36/14/50/185361450.db2.gz WLQHTDIITODLQH-HNNXBMFYSA-N -1 0 317.385 2.247 50 0 DEAARM O=C([O-])CCN(C(=O)c1ccc2cc[nH]c2c1)C1CCOCC1 ZINC000095424793 185361467 /nfs/dbraw/zinc/36/14/67/185361467.db2.gz CGJGSRHCLBABDW-UHFFFAOYSA-N -1 0 316.357 2.264 50 0 DEAARM O=C([O-])c1ccc(N[C@@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000025480281 190650397 /nfs/dbraw/zinc/65/03/97/190650397.db2.gz UADTTZUIDNGYDV-OAHLLOKOSA-N -1 0 324.336 2.124 50 0 DEAARM CCC1(CC)[C@@H](OC)C[C@@H]1N(C)C(=O)c1cc(C(=O)[O-])ccn1 ZINC000263441866 282395813 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Cc1nc2cc(CC(=O)N[C@H](C(=O)[O-])C(C)(C)C)ccc2[nH]1 ZINC000426547712 405368272 /nfs/dbraw/zinc/36/82/72/405368272.db2.gz XLGMRXORFLAOAO-CQSZACIVSA-N -1 0 303.362 2.029 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CN1Cc2ccccc2C1 ZINC000426550641 405368507 /nfs/dbraw/zinc/36/85/07/405368507.db2.gz PFGYSAYQNQNCAR-INIZCTEOSA-N -1 0 316.401 2.248 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C2CCC(CC2)[C@H]1C(=O)[O-])c1ccncc1 ZINC000239165047 225213936 /nfs/dbraw/zinc/21/39/36/225213936.db2.gz NJMOWNDDTXVXPF-UGDFBUANSA-N -1 0 302.374 2.396 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1 ZINC000299741829 229377326 /nfs/dbraw/zinc/37/73/26/229377326.db2.gz GKXMKQGXYOXMKM-GJZGRUSLSA-N -1 0 303.358 2.097 50 0 DEAARM C[S@@](=O)c1ccc(C(=O)N2CCCC[C@H]2CCC(=O)[O-])cc1 ZINC000299745696 229387290 /nfs/dbraw/zinc/38/72/90/229387290.db2.gz RVZOWWUSIUKGNT-WHEQGISXSA-N -1 0 323.414 2.284 50 0 DEAARM CCc1cc(Cl)ccc1NC(=O)N[C@H](C)c1n[nH]c(=O)[n-]1 ZINC000097784885 262547446 /nfs/dbraw/zinc/54/74/46/262547446.db2.gz IWVBOLDCMOJCIS-SSDOTTSWSA-N -1 0 309.757 2.197 50 0 DEAARM Cc1ncsc1C(=O)N1CCc2cccc(C(=O)[O-])c2C1 ZINC000649257351 424978290 /nfs/dbraw/zinc/97/82/90/424978290.db2.gz GUVDVUNHKQZUEY-UHFFFAOYSA-N -1 0 302.355 2.348 50 0 DEAARM Cc1nnccc1NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653542079 425173155 /nfs/dbraw/zinc/17/31/55/425173155.db2.gz FPTNDYVJCVGWMV-INTQDDNPSA-N -1 0 306.366 2.042 50 0 DEAARM O=C([O-])[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000653331784 425463657 /nfs/dbraw/zinc/46/36/57/425463657.db2.gz WKJXHLHEGWVUCK-GLQYFDAESA-N -1 0 303.358 2.375 50 0 DEAARM CO[N-]C(=O)[C@@H]1CCCN1C(=O)c1cc(Cl)ccc1Cl ZINC000044914938 293374643 /nfs/dbraw/zinc/37/46/43/293374643.db2.gz MZBYGZOEAGMREI-NSHDSACASA-N -1 0 317.172 2.276 50 0 DEAARM COc1ccc([C@@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 ZINC000072139252 295218268 /nfs/dbraw/zinc/21/82/68/295218268.db2.gz CINCBNLVFSNJDJ-VIFPVBQESA-N -1 0 304.327 2.324 50 0 DEAARM COc1ccc2c(c1OC)C(=O)N1[C@@H]2SC(C)(C)[C@H]1C(=O)[O-] ZINC000004082249 295277609 /nfs/dbraw/zinc/27/76/09/295277609.db2.gz GYHAWRDFSMFCKS-DGCLKSJQSA-N -1 0 323.370 2.137 50 0 biogenic DEAARM COc1ccc2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])c(C)nc2c1 ZINC000263047129 295278964 /nfs/dbraw/zinc/27/89/64/295278964.db2.gz DOTYVSLGFKXPES-OAHLLOKOSA-N -1 0 314.341 2.241 50 0 DEAARM C[C@@]1(C(=O)[O-])CCCCN1C(=O)CCC(=O)N1CCCCCC1 ZINC000426698188 297875029 /nfs/dbraw/zinc/87/50/29/297875029.db2.gz HCTGHXCBGYOXRC-KRWDZBQOSA-N -1 0 324.421 2.025 50 0 DEAARM Cc1cc2nc(CCC(=O)N[C@H](C)CC(=O)[O-])[nH]c2cc1C ZINC000426518363 301462029 /nfs/dbraw/zinc/46/20/29/301462029.db2.gz RTCPSORLYNJWOY-LLVKDONJSA-N -1 0 303.362 2.092 50 0 DEAARM Cc1ccccc1[C@H]1C(=O)NCCN1Cc1ccc(C(=O)[O-])cc1 ZINC000263563899 302214591 /nfs/dbraw/zinc/21/45/91/302214591.db2.gz DQIGDSHYSNGZAS-KRWDZBQOSA-N -1 0 324.380 2.366 50 0 DEAARM CC(C)S(=O)(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000095366057 332169580 /nfs/dbraw/zinc/16/95/80/332169580.db2.gz YOJUHVOMJZVOEF-CQSZACIVSA-N -1 0 311.403 2.302 50 0 DEAARM Cc1[nH][nH]c(=O)c1CC(=O)N[C@H](C)c1nc2c(s1)CCCC2 ZINC000534637729 334309969 /nfs/dbraw/zinc/30/99/69/334309969.db2.gz JZCWHFYBEXWPNV-SECBINFHSA-N -1 0 320.418 2.179 50 0 DEAARM COc1ccccc1C[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC1)C(=O)[O-] ZINC000299741775 534119695 /nfs/dbraw/zinc/11/96/95/534119695.db2.gz FZRDUCGFHHDYPJ-QLFBSQMISA-N -1 0 317.385 2.101 50 0 DEAARM COc1ccccc1OCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000299743871 534190680 /nfs/dbraw/zinc/19/06/80/534190680.db2.gz PQJDATOBUUSOPE-CYBMUJFWSA-N -1 0 321.373 2.320 50 0 DEAARM CCO[C@H](C)c1nc(C)c(C(=O)N2CCC[C@H]2C(=O)[O-])s1 ZINC000299745934 528005603 /nfs/dbraw/zinc/00/56/03/528005603.db2.gz UDVRYSVOTFTXMF-ZJUUUORDSA-N -1 0 312.391 2.238 50 0 DEAARM [O-]c1cccc2oc(/C=C/c3cn(C[C@@H]4CCOC4)nn3)nc21 ZINC000888099352 635547783 /nfs/dbraw/zinc/54/77/83/635547783.db2.gz JCDRFMJLWCZQSL-ZWNMCFTASA-N -1 0 312.329 2.332 50 0 DEAARM COc1ccccc1O[C@H](C)CNC(=O)CC(C)(C)CC(=O)[O-] ZINC000585079435 635706970 /nfs/dbraw/zinc/70/69/70/635706970.db2.gz NCGLJSOXGXAHBG-GFCCVEGCSA-N -1 0 323.389 2.470 50 0 DEAARM CCc1nc2cc(CNC(=O)[C@H](C)C(=O)[O-])ccc2n1C1CC1 ZINC000263548286 640299025 /nfs/dbraw/zinc/29/90/25/640299025.db2.gz IWCYBVIVSTUVFU-JTQLQIEISA-N -1 0 315.373 2.271 50 0 DEAARM COc1cc(F)c(NC(=O)N(C)C[C@H](C)C(=O)[O-])cc1OC ZINC000263460631 640717797 /nfs/dbraw/zinc/71/77/97/640717797.db2.gz DKYGCQOUFKGYPL-QMMMGPOBSA-N -1 0 314.313 2.027 50 0 DEAARM COCc1cccc([C@H](C(=O)[O-])N(C)Cc2nc(C)c[nH]2)c1 ZINC000095370112 684052925 /nfs/dbraw/zinc/05/29/25/684052925.db2.gz PIVCHAZDWBWXAJ-OAHLLOKOSA-N -1 0 303.362 2.122 50 0 DEAARM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)CCc1ccccc1 ZINC000584908074 789634274 /nfs/dbraw/zinc/63/42/74/789634274.db2.gz AJDVQUABVOOOBN-UKYUDJEDSA-N -1 0 317.385 2.268 50 0 DEAARM O=C([O-])[C@@H](F)[C@H]1CCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 ZINC000952881368 792796407 /nfs/dbraw/zinc/79/64/07/792796407.db2.gz GQRZUNIIQUDPKA-XNCJUZBTSA-N -1 0 309.124 2.206 50 0 DEAARM Cc1ccc(C(=O)NCC(C)C)cc1NC(=O)C1(C(=O)[O-])CC1 ZINC000952964087 792811415 /nfs/dbraw/zinc/81/14/15/792811415.db2.gz NBWVEFVEGMPKNN-UHFFFAOYSA-N -1 0 318.373 2.184 50 0 DEAARM CC(C)Cc1noc([C@@H]2CCCN(c3nc(C(=O)[O-])co3)C2)n1 ZINC001529120846 1070867003 /nfs/dbraw/zinc/86/70/03/1070867003.db2.gz OTHSLNOIQJLEOZ-SNVBAGLBSA-N -1 0 320.349 2.338 50 0 DEAARM Cc1ccc(C(=O)[O-])c(NCC2CCN(C(=O)C3CC3)CC2)n1 ZINC001506415244 1061957903 /nfs/dbraw/zinc/95/79/03/1061957903.db2.gz AHMMHVQKVZDUBM-UHFFFAOYSA-N -1 0 317.389 2.149 50 0 DEAARM Cc1cccnc1NC(=O)c1c([O-])c2ccccc2n(C)c1=O ZINC000005687841 1077618477 /nfs/dbraw/zinc/61/84/77/1077618477.db2.gz JJELQZHUOFKHPE-UHFFFAOYSA-N -1 0 309.325 2.200 50 0 DEAARM CO[C@H](C(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccccc1 ZINC000225446161 201710030 /nfs/dbraw/zinc/71/00/30/201710030.db2.gz NFCGGVBMVGCSCY-INIZCTEOSA-N -1 0 313.353 2.431 50 0 DEAARM Cc1c(Br)cccc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000088440308 185250840 /nfs/dbraw/zinc/25/08/40/185250840.db2.gz DVNNSGPQTSBIIH-ZETCQYMHSA-N -1 0 300.152 2.208 50 0 DEAARM CC(C)(C)[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)C(=O)[O-] ZINC000095424710 185361432 /nfs/dbraw/zinc/36/14/32/185361432.db2.gz XRMWGTGIDQHEGU-CQSZACIVSA-N -1 0 315.373 2.161 50 0 DEAARM CCO[C@@H](C)c1nc(C(=O)NCCCCC(=O)[O-])cs1 ZINC000095425305 185361696 /nfs/dbraw/zinc/36/16/96/185361696.db2.gz DJCIUIVVVZYNDR-VIFPVBQESA-N -1 0 300.380 2.225 50 0 DEAARM C[C@H](CNC(=O)c1c([O-])cc(Cl)cc1Cl)[S@@](C)=O ZINC000095436821 185365098 /nfs/dbraw/zinc/36/50/98/185365098.db2.gz YZHYPUJYUBJDRO-DMWPKQFHSA-N -1 0 310.202 2.196 50 0 DEAARM Cc1ccc(NC(=O)c2c[n-]n3c2nc2c(c3=O)CCC2)cc1 ZINC000021774760 539330668 /nfs/dbraw/zinc/33/06/68/539330668.db2.gz ZSEJCLIWZVJGOY-UHFFFAOYSA-N -1 0 308.341 2.072 50 0 DEAARM CC(C)c1cc(C(=O)N[C@@H](C(=O)[O-])c2ccccc2)n(C)n1 ZINC000097017989 185397707 /nfs/dbraw/zinc/39/77/07/185397707.db2.gz IIMTVPVSUQJZGE-CQSZACIVSA-N -1 0 301.346 2.099 50 0 DEAARM Cn1ncnc1[N-]S(=O)(=O)c1ccc(Cl)c2ccccc21 ZINC000126955445 185907466 /nfs/dbraw/zinc/90/74/66/185907466.db2.gz IFLRSSFLGYFKSY-UHFFFAOYSA-N -1 0 322.777 2.423 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2Cc3cc(F)ccc3O2)C1 ZINC000237963322 539751904 /nfs/dbraw/zinc/75/19/04/539751904.db2.gz UHEZXTQWYCAJCE-NHYWBVRUSA-N -1 0 321.348 2.233 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCCC3)C1 ZINC000237975296 539752113 /nfs/dbraw/zinc/75/21/13/539752113.db2.gz QBBMSYSBSBEJFP-NSHDSACASA-N -1 0 305.378 2.006 50 0 DEAARM Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C(=O)[O-])c(C)o1 ZINC000133706405 186008522 /nfs/dbraw/zinc/00/85/22/186008522.db2.gz XRMXLKDIBJHISE-ZDUSSCGKSA-N -1 0 321.354 2.101 50 0 DEAARM CN(Cc1ccccn1)c1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000071764539 191027016 /nfs/dbraw/zinc/02/70/16/191027016.db2.gz WERLVSBPNWSFEN-UHFFFAOYSA-N -1 0 321.340 2.268 50 0 DEAARM CCOCC(=O)N1CCC[C@H](Cc2ccc(C(=O)[O-])cc2)C1 ZINC000072129175 191042833 /nfs/dbraw/zinc/04/28/33/191042833.db2.gz VGHXJKIDKPHXFB-CQSZACIVSA-N -1 0 305.374 2.202 50 0 DEAARM O=C([O-])c1cccc(CC2CCN(C(=O)[C@H]3CCOC3)CC2)c1 ZINC000072158124 191061614 /nfs/dbraw/zinc/06/16/14/191061614.db2.gz AXDRHJJXSKSVAM-INIZCTEOSA-N -1 0 317.385 2.202 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2cc3c(cn2)OCCC3)C1 ZINC000263456296 539789379 /nfs/dbraw/zinc/78/93/79/539789379.db2.gz UPFOTZPQRCQCNC-GFCCVEGCSA-N -1 0 318.373 2.124 50 0 DEAARM COc1ccc(-c2nc(CN3CCC[C@H]3C(=O)[O-])co2)cc1 ZINC000237480154 186295525 /nfs/dbraw/zinc/29/55/25/186295525.db2.gz NOPXQLQKMWPWRT-AWEZNQCLSA-N -1 0 302.330 2.399 50 0 DEAARM Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1 ZINC000000002106 180667392 /nfs/dbraw/zinc/66/73/92/180667392.db2.gz NHZLNPMOSADWGC-UHFFFAOYSA-N -1 0 300.343 2.013 50 0 endogenous,in-man DEAARM COC(=O)c1nn(-c2ccc(C(C)(C)C)cc2)c(=O)cc1[O-] ZINC000000167317 180712774 /nfs/dbraw/zinc/71/27/74/180712774.db2.gz JSRGIZKBWYGPNW-UHFFFAOYSA-N -1 0 302.330 2.022 50 0 DEAARM Cc1onc(-c2ccccc2)c1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000000269970 180743890 /nfs/dbraw/zinc/74/38/90/180743890.db2.gz GDPQMIWXOKDXPC-GFCCVEGCSA-N -1 0 300.314 2.339 50 0 DEAARM CCc1nnc(C)cc1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000317577612 539888764 /nfs/dbraw/zinc/88/87/64/539888764.db2.gz HKNNMBWMFOEYFL-UHFFFAOYSA-N -1 0 305.378 2.255 50 0 DEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000000461395 180798125 /nfs/dbraw/zinc/79/81/25/180798125.db2.gz IVBNPKKPTFYBLS-CVEARBPZSA-N -1 0 316.401 2.226 50 0 DEAARM O=C([O-])C1(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)CCC1 ZINC000237949468 304031389 /nfs/dbraw/zinc/03/13/89/304031389.db2.gz RBPDQOWEIWDJJM-JTQLQIEISA-N -1 0 309.749 2.015 50 0 DEAARM CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000003374684 181013032 /nfs/dbraw/zinc/01/30/32/181013032.db2.gz MJDDNPKZZMWMRV-UHFFFAOYSA-N -1 0 311.403 2.295 50 0 DEAARM O=C(CCCn1c(=O)c2ccccc2[n-]c1=S)N1CCCC1 ZINC000000425034 353989641 /nfs/dbraw/zinc/98/96/41/353989641.db2.gz VIBRAMRXUJLYPW-UHFFFAOYSA-N -1 0 317.414 2.462 50 0 DEAARM CC(C)[C@@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000003887300 181053114 /nfs/dbraw/zinc/05/31/14/181053114.db2.gz OKXWQUBUQJAUNF-SNVBAGLBSA-N -1 0 300.152 2.288 50 0 DEAARM Cc1ccccc1OCC(=O)Nc1ccc(O)cc1C(=O)[O-] ZINC000003905363 181054913 /nfs/dbraw/zinc/05/49/13/181054913.db2.gz QBPFSBSNUNVEIF-UHFFFAOYSA-N -1 0 301.298 2.416 50 0 biogenic DEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)[O-])C(=O)OCc1ccccc1 ZINC000004534298 181120711 /nfs/dbraw/zinc/12/07/11/181120711.db2.gz LDRWTKQWSXGSTM-GFCCVEGCSA-N -1 0 323.345 2.098 50 0 DEAARM CCC(=O)[N-]C(=O)c1c(NC(=O)CC)onc1-c1ccsc1 ZINC000004771723 181150310 /nfs/dbraw/zinc/15/03/10/181150310.db2.gz XMCYEHSRALWIAY-UHFFFAOYSA-N -1 0 321.358 2.418 50 0 DEAARM CCCCc1cc(=O)[nH]c(Nc2ccc(O)c(C(=O)[O-])c2)n1 ZINC000073647921 191335964 /nfs/dbraw/zinc/33/59/64/191335964.db2.gz MFZIPWIPETVGAM-UHFFFAOYSA-N -1 0 303.318 2.260 50 0 DEAARM Cc1noc(C)c1[C@H](C)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000097228706 355703013 /nfs/dbraw/zinc/70/30/13/355703013.db2.gz OSKXXVQYTUNDBC-VIFPVBQESA-N -1 0 302.330 2.410 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)no1 ZINC000170617500 355990316 /nfs/dbraw/zinc/99/03/16/355990316.db2.gz RWUFOLQCHYHYGQ-UHFFFAOYSA-N -1 0 310.228 2.340 50 0 DEAARM CCN(CC)c1ccc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000158491039 355958740 /nfs/dbraw/zinc/95/87/40/355958740.db2.gz YKHIGZNZJVPYSA-CYBMUJFWSA-N -1 0 305.378 2.007 50 0 DEAARM O=C([O-])CCC1CCN(S(=O)(=O)CCC2CCC2)CC1 ZINC000312430874 356412726 /nfs/dbraw/zinc/41/27/26/356412726.db2.gz VRODXECIHPZNRL-UHFFFAOYSA-N -1 0 303.424 2.083 50 0 DEAARM CCN(CCC(=O)[O-])C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000236829831 202029326 /nfs/dbraw/zinc/02/93/26/202029326.db2.gz VHQIOOJACYGIOL-UHFFFAOYSA-N -1 0 318.373 2.140 50 0 DEAARM COc1ccccc1CC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237121873 202159281 /nfs/dbraw/zinc/15/92/81/202159281.db2.gz RESFBYUBSKBZES-CQSZACIVSA-N -1 0 305.374 2.484 50 0 DEAARM COc1ccccc1C[C@@H](CNC(=O)[C@@H]1CC=CCC1)C(=O)[O-] ZINC000237223357 202196059 /nfs/dbraw/zinc/19/60/59/202196059.db2.gz YMYXSRTWQPLJMJ-HIFRSBDPSA-N -1 0 317.385 2.411 50 0 DEAARM O=C([O-])c1csc([C@H]2CCCN2C(=O)C[C@@H]2CCCCO2)n1 ZINC000585134087 357336409 /nfs/dbraw/zinc/33/64/09/357336409.db2.gz DMANHBPOCKZDRL-CMPLNLGQSA-N -1 0 324.402 2.464 50 0 DEAARM COCCC(=O)Nc1cc(Br)cc(C(=O)[O-])c1C ZINC000585134494 357336522 /nfs/dbraw/zinc/33/65/22/357336522.db2.gz WHQALQTZKPSGNW-UHFFFAOYSA-N -1 0 316.151 2.431 50 0 DEAARM C[C@@H](C(=O)[O-])N(C)C(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000089598248 192824910 /nfs/dbraw/zinc/82/49/10/192824910.db2.gz UFIPULYSSDYCHO-QMMMGPOBSA-N -1 0 305.252 2.059 50 0 DEAARM C[C@H]1CC[C@@H](CCC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])O1 ZINC000237556218 202282824 /nfs/dbraw/zinc/28/28/24/202282824.db2.gz TXZNYCBOKXQUNA-AEGPPILISA-N -1 0 305.374 2.146 50 0 DEAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000237564917 202285437 /nfs/dbraw/zinc/28/54/37/202285437.db2.gz VZDVHRHJLSZHSU-VIFPVBQESA-N -1 0 316.279 2.346 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000237643259 202315748 /nfs/dbraw/zinc/31/57/48/202315748.db2.gz YWLUSKLBNLZNEQ-YOEHRIQHSA-N -1 0 303.358 2.014 50 0 DEAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3C(=O)[O-])on2)cc1 ZINC000237702265 202331835 /nfs/dbraw/zinc/33/18/35/202331835.db2.gz ZRDFCMCWYAMRAM-CYBMUJFWSA-N -1 0 300.314 2.339 50 0 DEAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1C ZINC000237842582 202367023 /nfs/dbraw/zinc/36/70/23/202367023.db2.gz QVJAHUBWKYSWMJ-UHFFFAOYSA-N -1 0 305.374 2.399 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnn(-c2ccc(Cl)cc2)c1 ZINC000238087124 202438500 /nfs/dbraw/zinc/43/85/00/202438500.db2.gz GZYSXDVSWWXRGA-CYBMUJFWSA-N -1 0 319.748 2.215 50 0 DEAARM Cc1cc2ccccc2n1CC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000271900328 209308765 /nfs/dbraw/zinc/30/87/65/209308765.db2.gz ZMDIVGBSFQJYFB-INIZCTEOSA-N -1 0 318.398 2.026 50 0 DEAARM COc1ccccc1/C(C)=C\C(=O)N1CCC(C(=O)[O-])CC1 ZINC000606441471 361008084 /nfs/dbraw/zinc/00/80/84/361008084.db2.gz MFPSHXPYRPUHDL-QXMHVHEDSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cncc(C(F)(F)F)c1 ZINC000263381115 304104772 /nfs/dbraw/zinc/10/47/72/304104772.db2.gz BRWCPTLJVIFUPR-JTQLQIEISA-N -1 0 302.252 2.180 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2SCCc3ccccc32)C1 ZINC000136135298 304109928 /nfs/dbraw/zinc/10/99/28/304109928.db2.gz AIVCTQZPIYKVQR-OCCSQVGLSA-N -1 0 305.399 2.340 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc2c(c1)OCCCO2 ZINC000006551935 181353602 /nfs/dbraw/zinc/35/36/02/181353602.db2.gz AFGKPBPTMDJAJZ-UHFFFAOYSA-N -1 0 324.358 2.254 50 0 DEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)c(OC)c1 ZINC000006658137 181366557 /nfs/dbraw/zinc/36/65/57/181366557.db2.gz PNRDNHRKDCHUOI-ABAIWWIYSA-N -1 0 307.346 2.088 50 0 DEAARM O=C([O-])c1cccc(NC(=O)c2cccc(-n3cnnc3)c2)c1 ZINC000006701850 181373804 /nfs/dbraw/zinc/37/38/04/181373804.db2.gz PPYHTFISXWFDAE-UHFFFAOYSA-N -1 0 308.297 2.218 50 0 DEAARM COCc1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000006703900 181374785 /nfs/dbraw/zinc/37/47/85/181374785.db2.gz JDTOOTJIIKFKRG-UHFFFAOYSA-N -1 0 321.354 2.332 50 0 DEAARM COc1ccccc1CNC(=O)[C@H]1C2CCC(CC2)[C@H]1C(=O)[O-] ZINC000006741382 181380513 /nfs/dbraw/zinc/38/05/13/181380513.db2.gz UIYLGNPQDQQVDB-UQZDFYISSA-N -1 0 317.385 2.448 50 0 DEAARM O=C([O-])c1c(NC(=O)N2CCOCC2)sc2c1CCCC2 ZINC000006757977 181384066 /nfs/dbraw/zinc/38/40/66/181384066.db2.gz PCCNCBVRNBOTHF-UHFFFAOYSA-N -1 0 310.375 2.189 50 0 DEAARM O=C([O-])c1ccc2c(c1)CN(C(=O)[C@@H]1C[C@H]1C1CCOCC1)C2 ZINC000630217645 367540569 /nfs/dbraw/zinc/54/05/69/367540569.db2.gz CODIYMZDRWWMCG-JKSUJKDBSA-N -1 0 315.369 2.290 50 0 DEAARM CC[C@@H](C)[C@@H](NC(=O)c1cc(C(=O)[O-])ccn1)C(F)(F)F ZINC000630301385 367581020 /nfs/dbraw/zinc/58/10/20/367581020.db2.gz KMXJDIOWKXFLFR-GMSGAONNSA-N -1 0 304.268 2.487 50 0 DEAARM O=C([O-])c1cncc(N2CCC(Oc3ccccc3F)CC2)n1 ZINC000630461940 367664337 /nfs/dbraw/zinc/66/43/37/367664337.db2.gz GTFNWNLGDNYNLS-UHFFFAOYSA-N -1 0 317.320 2.362 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc2n[nH]cc2c1 ZINC000299745403 304147442 /nfs/dbraw/zinc/14/74/42/304147442.db2.gz YUCHGNDOISOIET-ONERCXAPSA-N -1 0 313.357 2.421 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1S(=O)(=O)c1ccsc1 ZINC000262194680 203225055 /nfs/dbraw/zinc/22/50/55/203225055.db2.gz ZEXLUUVIVGNFOW-DLOVCJGASA-N -1 0 315.416 2.155 50 0 DEAARM COc1ccc(C(=O)NCCc2nc(C(=O)[O-])cs2)c(C)c1 ZINC000263006558 203427077 /nfs/dbraw/zinc/42/70/77/203427077.db2.gz LFKGUGJBUOZNPY-UHFFFAOYSA-N -1 0 320.370 2.131 50 0 DEAARM CC(=O)c1csc(C(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000263016467 203427884 /nfs/dbraw/zinc/42/78/84/203427884.db2.gz PXOSPVZFRGSSCT-NDMJEZRESA-N -1 0 307.371 2.276 50 0 DEAARM COc1ccc(CCC(=O)N[C@@](C)(C(=O)[O-])C(C)C)cc1F ZINC000095989681 193480542 /nfs/dbraw/zinc/48/05/42/193480542.db2.gz RTGOWBMHXFJACR-MRXNPFEDSA-N -1 0 311.353 2.382 50 0 DEAARM Cc1cc(OCC(=O)N2CCC(C(=O)[O-])CC2)ccc1Cl ZINC000008026929 181519924 /nfs/dbraw/zinc/51/99/24/181519924.db2.gz VIVDLEZWDNOVPA-UHFFFAOYSA-N -1 0 311.765 2.350 50 0 DEAARM CCc1nnc2n1N=C(c1ccc(C)cc1)[C@H](CC(=O)[O-])S2 ZINC000008391866 181553850 /nfs/dbraw/zinc/55/38/50/181553850.db2.gz ZJANTAFRLXEJTG-NSHDSACASA-N -1 0 316.386 2.350 50 0 DEAARM CCc1nnc2n1N=C(c1ccccc1)[C@@H](CC(=O)[O-])S2 ZINC000008394146 181554141 /nfs/dbraw/zinc/55/41/41/181554141.db2.gz GITHDKQCEGKDFL-SNVBAGLBSA-N -1 0 302.359 2.042 50 0 DEAARM CC(C)C(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000015861996 182022193 /nfs/dbraw/zinc/02/21/93/182022193.db2.gz TZHMATLSWNVBBP-UHFFFAOYSA-N -1 0 313.404 2.262 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2nc3ccccc3s2)cn1 ZINC000017031748 182069909 /nfs/dbraw/zinc/06/99/09/182069909.db2.gz RNPUGYQIOMAWPI-UHFFFAOYSA-N -1 0 308.388 2.314 50 0 DEAARM CCc1cccc(NS(=O)(=O)c2cc(C(=O)[O-])n(C)c2)c1 ZINC000022157035 182311265 /nfs/dbraw/zinc/31/12/65/182311265.db2.gz XANGRNZZJUIZDX-UHFFFAOYSA-N -1 0 308.359 2.087 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1-c1nc(-c2cccnc2)no1 ZINC000022464453 182323014 /nfs/dbraw/zinc/32/30/14/182323014.db2.gz PGYMZIGWWOJRHU-UHFFFAOYSA-N -1 0 316.342 2.170 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(N2CCOC2=O)c1 ZINC000027056719 182461611 /nfs/dbraw/zinc/46/16/11/182461611.db2.gz XHQUJVZEXYVIQX-UHFFFAOYSA-N -1 0 320.345 2.473 50 0 DEAARM CC(C)(C)OC(=O)N1C([O-])=CC(=O)[C@@H]1Cc1ccccc1F ZINC000100088777 193794149 /nfs/dbraw/zinc/79/41/49/193794149.db2.gz WNPIFLVSKAAWBV-LBPRGKRZSA-N -1 0 307.321 2.473 50 0 DEAARM Cc1ccc(NC(=O)c2nnc(CSCC(=O)[O-])s2)cc1 ZINC000034927221 182745044 /nfs/dbraw/zinc/74/50/44/182745044.db2.gz HIONPDKCQKGNOO-UHFFFAOYSA-N -1 0 323.399 2.417 50 0 DEAARM O=C([O-])[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCOCC1 ZINC000037359299 182883508 /nfs/dbraw/zinc/88/35/08/182883508.db2.gz AETUWZOWSACGEX-LLVKDONJSA-N -1 0 305.252 2.043 50 0 biogenic DEAARM COc1ccc(Cl)cc1/C=C\C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000492199831 249015451 /nfs/dbraw/zinc/01/54/51/249015451.db2.gz ZYPMURIHOZIUDY-SRMRHOMVSA-N -1 0 309.749 2.295 50 0 DEAARM O=C([O-])[C@@]1(NC(=O)c2cc(Cl)c(Cl)[nH]2)CCSC1 ZINC000043508547 183368000 /nfs/dbraw/zinc/36/80/00/183368000.db2.gz BYVNHONFDUKKNA-SNVBAGLBSA-N -1 0 309.174 2.012 50 0 DEAARM Cc1ccc(N(C)S(=O)(=O)c2c[nH]c(C(=O)[O-])c2)c(C)c1 ZINC000049986397 183766796 /nfs/dbraw/zinc/76/67/96/183766796.db2.gz YUVWOBJGMIWWBK-UHFFFAOYSA-N -1 0 308.359 2.155 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])cc1 ZINC000268885405 207055580 /nfs/dbraw/zinc/05/55/80/207055580.db2.gz BOLVUNGVEYWYII-FPCVCCKLSA-N -1 0 317.385 2.300 50 0 DEAARM CCC[C@@H](CC(=O)[O-])NC(=O)CC(=O)Nc1ccc(C)cc1 ZINC000055073098 183961885 /nfs/dbraw/zinc/96/18/85/183961885.db2.gz HOLXAIXRSZAKEG-ZDUSSCGKSA-N -1 0 306.362 2.083 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C[C@@H]1C(=O)[O-])c1ncc(-c2ccccc2)o1 ZINC000268945612 207108698 /nfs/dbraw/zinc/10/86/98/207108698.db2.gz MKWXDTIMLLFXPA-WCQGTBRESA-N -1 0 300.314 2.240 50 0 DEAARM CC(C)CNC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O ZINC000057120816 184027627 /nfs/dbraw/zinc/02/76/27/184027627.db2.gz APKSLNLOYDDSEH-UHFFFAOYSA-N -1 0 304.799 2.097 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(Cc2csc(-c3ccccc3)n2)C1 ZINC000065385787 184333299 /nfs/dbraw/zinc/33/32/99/184333299.db2.gz HUTUPESTFWXJDO-NSHDSACASA-N -1 0 302.355 2.243 50 0 DEAARM O=C([O-])c1ccc([C@@H]2CCN(C(=O)C3CCOCC3)C2)cc1 ZINC000072135153 304250882 /nfs/dbraw/zinc/25/08/82/304250882.db2.gz NDYBSJVEYKEPDW-OAHLLOKOSA-N -1 0 303.358 2.127 50 0 DEAARM O=C([O-])c1ccc2c(=O)[nH]c3c(-c4cccc(F)c4)nnn3c2c1 ZINC000021730325 304251954 /nfs/dbraw/zinc/25/19/54/304251954.db2.gz NQMUPTQVAORLDG-UHFFFAOYSA-N -1 0 324.271 2.487 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)C2(c3ccc(Cl)cc3)CCC2)CCO1 ZINC000238122039 257237957 /nfs/dbraw/zinc/23/79/57/257237957.db2.gz RZEUCANHNVNAGE-CYBMUJFWSA-N -1 0 323.776 2.074 50 0 DEAARM O=C(CCCn1c(=O)c2sccc2[n-]c1=S)NC1CC1 ZINC000102739817 257242131 /nfs/dbraw/zinc/24/21/31/257242131.db2.gz NAMFDFYTXDFTAY-UHFFFAOYSA-N -1 0 309.416 2.179 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F ZINC000252485868 257258551 /nfs/dbraw/zinc/25/85/51/257258551.db2.gz BGNYQSMUJRIMHM-UXCLJVHYSA-N -1 0 313.275 2.398 50 0 DEAARM CCCc1cc(=O)oc2c(C)c(OCc3nnn[n-]3)ccc12 ZINC000012733617 257268335 /nfs/dbraw/zinc/26/83/35/257268335.db2.gz CXLFCSCFDKRNQP-UHFFFAOYSA-N -1 0 300.318 2.146 50 0 DEAARM C[C@H](Oc1cccc(/C=C\C(=O)c2cnn(C)c2)c1)C(=O)[O-] ZINC000096187952 224538909 /nfs/dbraw/zinc/53/89/09/224538909.db2.gz KIEHLHDYBBHKHZ-ZADCQDASSA-N -1 0 300.314 2.168 50 0 DEAARM O=C(C[C@@H]1C=CCC1)[N-]S(=O)(=O)c1cccc2cnccc21 ZINC000069594433 184820902 /nfs/dbraw/zinc/82/09/02/184820902.db2.gz ALVCFUHPCQFMPD-GFCCVEGCSA-N -1 0 316.382 2.396 50 0 DEAARM CC(C)Oc1cccnc1C(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000263270243 132580346 /nfs/dbraw/zinc/58/03/46/132580346.db2.gz OWNJZGWFJZCXHT-GFCCVEGCSA-N -1 0 318.373 2.196 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CN1CCCCCCC1=O ZINC000262189802 145268157 /nfs/dbraw/zinc/26/81/57/145268157.db2.gz HSVCGXKXMAFPSC-AWEZNQCLSA-N -1 0 324.421 2.025 50 0 DEAARM CCO[C@@H]1C[C@](NC(=O)[C@@H]2Cc3ccccc32)(C(=O)[O-])C1(C)C ZINC000262849035 145307647 /nfs/dbraw/zinc/30/76/47/145307647.db2.gz WIDODNVLURNBDI-LBTNJELSSA-N -1 0 317.385 2.101 50 0 DEAARM O=C([O-])C[C@H]1CCCN1C(=O)c1cc(F)cc2cccnc21 ZINC000262965548 145314271 /nfs/dbraw/zinc/31/42/71/145314271.db2.gz OEPCHHNTXFKXGE-GFCCVEGCSA-N -1 0 302.305 2.453 50 0 DEAARM Cc1cc(C)n(CC(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)n1 ZINC000263186760 145334336 /nfs/dbraw/zinc/33/43/36/145334336.db2.gz HYGGFRXVFIRQCU-LBPRGKRZSA-N -1 0 301.346 2.327 50 0 DEAARM Cc1ccc(NC(=O)[C@@H](CC(=O)[O-])NCc2ccco2)cc1 ZINC000000236773 292155556 /nfs/dbraw/zinc/15/55/56/292155556.db2.gz HJTPYNOUWNZJET-CQSZACIVSA-N -1 0 302.330 2.160 50 0 DEAARM CC1=C(C)C[C@@H](C(=O)Nc2ccc(C(N)=O)cc2)[C@H](C(=O)[O-])C1 ZINC000002958472 401720437 /nfs/dbraw/zinc/72/04/37/401720437.db2.gz GCDJCSFKJZMGGT-ZIAGYGMSSA-N -1 0 316.357 2.171 50 0 DEAARM COc1ccccc1NC(=O)CNc1ccc(C(=O)[O-])cc1 ZINC000003207918 401722539 /nfs/dbraw/zinc/72/25/39/401722539.db2.gz CXAMVWZDVNZJLC-UHFFFAOYSA-N -1 0 300.314 2.444 50 0 DEAARM CCOC(=O)c1c2c([O-])nn(-c3ccccc3)c2oc(=O)c1C ZINC000005686425 401730082 /nfs/dbraw/zinc/73/00/82/401730082.db2.gz IWVIUWNHXQDGCC-UHFFFAOYSA-N -1 0 314.297 2.169 50 0 DEAARM CCOc1ccc(-n2nc(C(=O)[O-])c3ccccc3c2=O)cc1 ZINC000000109891 401688147 /nfs/dbraw/zinc/68/81/47/401688147.db2.gz VZBKIXDHESVGNH-UHFFFAOYSA-N -1 0 310.309 2.483 50 0 DEAARM O=C([O-])c1cccnc1SCCS(=O)(=O)c1ccccc1 ZINC000000149981 401688507 /nfs/dbraw/zinc/68/85/07/401688507.db2.gz LYXDTDBDUWKOQF-UHFFFAOYSA-N -1 0 323.395 2.346 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl ZINC000000246247 401691842 /nfs/dbraw/zinc/69/18/42/401691842.db2.gz RYCLZKQOCUAPMF-UHFFFAOYSA-N -1 0 303.767 2.213 50 0 DEAARM Cc1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000000258673 401692391 /nfs/dbraw/zinc/69/23/91/401692391.db2.gz GUNONIQPSZDDRR-UHFFFAOYSA-N -1 0 305.355 2.172 50 0 DEAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1O ZINC000000615645 401702342 /nfs/dbraw/zinc/70/23/42/401702342.db2.gz OIKUJZLGUURHKM-UHFFFAOYSA-N -1 0 311.290 2.030 50 0 DEAARM CN(CCNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1 ZINC000001740995 401710655 /nfs/dbraw/zinc/71/06/55/401710655.db2.gz HLKDEKNMVFVETQ-GJZGRUSLSA-N -1 0 304.390 2.130 50 0 DEAARM Cn1cc(-c2cc(C(F)(F)F)nc(SCC(=O)[O-])n2)cn1 ZINC000002538138 401714783 /nfs/dbraw/zinc/71/47/83/401714783.db2.gz LCSSCRFHCUVKEB-UHFFFAOYSA-N -1 0 318.280 2.073 50 0 DEAARM O=C([O-])C1CCN(C(=O)COc2ccc(F)cc2Cl)CC1 ZINC000013167476 401797597 /nfs/dbraw/zinc/79/75/97/401797597.db2.gz CUTCFLPWYLVHNO-UHFFFAOYSA-N -1 0 315.728 2.181 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Br)cc2)C1 ZINC000013170219 401797825 /nfs/dbraw/zinc/79/78/25/401797825.db2.gz JWNHADQNUJIVHW-SNVBAGLBSA-N -1 0 312.163 2.386 50 0 DEAARM COc1cc(C(=O)[O-])ccc1O[C@H](C)C(=O)NC1CCCC1 ZINC000013419922 401799966 /nfs/dbraw/zinc/79/99/66/401799966.db2.gz ASGUKPPCFDOTOU-SNVBAGLBSA-N -1 0 307.346 2.220 50 0 DEAARM O=S(=O)([N-]c1ccc(F)cc1OCC1CC1)c1cn[nH]c1 ZINC000076937968 401800598 /nfs/dbraw/zinc/80/05/98/401800598.db2.gz DMGSOTUCSUGWBA-UHFFFAOYSA-N -1 0 311.338 2.138 50 0 DEAARM Cc1nnc2n1N=C(c1ccc(Cl)cc1)[C@H](CC(=O)[O-])S2 ZINC000008391854 401752485 /nfs/dbraw/zinc/75/24/85/401752485.db2.gz YKIQXIVXPNWCPV-JTQLQIEISA-N -1 0 322.777 2.441 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](Cc1ccc(F)cc1F)C(=O)[O-] ZINC000008699146 401755207 /nfs/dbraw/zinc/75/52/07/401755207.db2.gz JNELGIOSRKVOJY-LLVKDONJSA-N -1 0 301.289 2.485 50 0 DEAARM O=C([O-])c1cccc(OCc2nnnn2-c2ccc(F)cc2)c1 ZINC000009134773 401760076 /nfs/dbraw/zinc/76/00/76/401760076.db2.gz SORPZBZNNFUXSM-UHFFFAOYSA-N -1 0 314.276 2.079 50 0 DEAARM CN1C(=O)Cc2cc([N-]S(=O)(=O)c3ccccc3F)ccc21 ZINC000009572720 401763508 /nfs/dbraw/zinc/76/35/08/401763508.db2.gz SPJNQVDAQHOESA-UHFFFAOYSA-N -1 0 320.345 2.145 50 0 DEAARM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1 ZINC000010515283 401770935 /nfs/dbraw/zinc/77/09/35/401770935.db2.gz 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CC(C)NC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071284769 190952391 /nfs/dbraw/zinc/95/23/91/190952391.db2.gz CLBWDIBTXNZZHX-QWHCGFSZSA-N -1 0 318.373 2.120 50 0 DEAARM O=C([O-])c1ccnc(-c2ccnc(NCc3ccncc3)n2)c1 ZINC000071746232 191020185 /nfs/dbraw/zinc/02/01/85/191020185.db2.gz QCFBHSZTPIVTJG-UHFFFAOYSA-N -1 0 307.313 2.244 50 0 DEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)c1coc(-c2ccccc2)n1 ZINC000141359045 186030033 /nfs/dbraw/zinc/03/00/33/186030033.db2.gz ACTLJEZHXAUXIN-NEPJUHHUSA-N -1 0 300.314 2.325 50 0 DEAARM CCCN(C)c1ccc(C(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)cc1 ZINC000263243518 539789423 /nfs/dbraw/zinc/78/94/23/539789423.db2.gz RYDSPOAEYITCJY-IUODEOHRSA-N -1 0 304.390 2.326 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 ZINC000155804234 186113785 /nfs/dbraw/zinc/11/37/85/186113785.db2.gz STSUGGBOIVJWMO-LLVKDONJSA-N -1 0 302.355 2.499 50 0 DEAARM Cc1nc(C2CC2)oc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000262840550 186311619 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O=C(NC1CCCCC1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000001322874 180854587 /nfs/dbraw/zinc/85/45/87/180854587.db2.gz HISUANHPHNSJQT-UHFFFAOYSA-N -1 0 312.369 2.326 50 0 DEAARM CC(=O)Nc1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000002243995 180916394 /nfs/dbraw/zinc/91/63/94/180916394.db2.gz ZVPYVOLFCSHVSR-ZDUSSCGKSA-N -1 0 322.361 2.165 50 0 DEAARM O=C([O-])CCC(=O)c1ccccc1I ZINC000002579878 180937209 /nfs/dbraw/zinc/93/72/09/180937209.db2.gz VKSQADFTANGJKC-UHFFFAOYSA-N -1 0 304.083 2.339 50 0 DEAARM COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)[O-])c2)cc1 ZINC000003310465 181002735 /nfs/dbraw/zinc/00/27/35/181002735.db2.gz GKVMEUQZSGJOCI-UHFFFAOYSA-N -1 0 321.354 2.219 50 0 DEAARM Cc1nc(C(F)(F)F)ccc1NC(=O)CSCC(=O)[O-] ZINC000000066396 353989557 /nfs/dbraw/zinc/98/95/57/353989557.db2.gz BVPXOLDMGKYLOZ-UHFFFAOYSA-N -1 0 308.281 2.165 50 0 DEAARM COC(=O)C(F)(F)Sc1c([O-])c2ccccc2oc1=O ZINC000003103045 353991467 /nfs/dbraw/zinc/99/14/67/353991467.db2.gz STRUXYZUMRGVLJ-UHFFFAOYSA-N -1 0 302.254 2.357 50 0 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355703342 /nfs/dbraw/zinc/70/33/42/355703342.db2.gz OSKXXVQYTUNDBC-SECBINFHSA-N -1 0 302.330 2.410 50 0 DEAARM O=C([O-])CCCCCNC(=O)Nc1ccc2c(c1)OCCO2 ZINC000005186781 181214988 /nfs/dbraw/zinc/21/49/88/181214988.db2.gz ALLDSSCVVDYGHF-UHFFFAOYSA-N -1 0 308.334 2.224 50 0 DEAARM O=C(Nc1[n-]c(=O)ncc1F)c1cc(F)cc(C(F)(F)F)c1 ZINC000170088509 355986155 /nfs/dbraw/zinc/98/61/55/355986155.db2.gz BIPWOAJAEVILDB-UHFFFAOYSA-N -1 0 319.189 2.319 50 0 DEAARM CC(C)c1ccc(CS(=O)(=O)[N-]C(=O)c2cccnc2)cc1 ZINC000170612247 355988919 /nfs/dbraw/zinc/98/89/19/355988919.db2.gz BPQYKYMAUMWFAA-UHFFFAOYSA-N -1 0 318.398 2.465 50 0 DEAARM C[C@H]1Cc2cc(S(=O)(=O)[N-]c3nnc(C4CC4)o3)ccc2O1 ZINC000194733117 356244051 /nfs/dbraw/zinc/24/40/51/356244051.db2.gz NMLNCOOMUPUJDL-QMMMGPOBSA-N -1 0 321.358 2.071 50 0 DEAARM C[C@H]1CN(C(=O)c2ccc(C(=O)[O-])nc2)c2ccc(F)cc2O1 ZINC000237523066 356298239 /nfs/dbraw/zinc/29/82/39/356298239.db2.gz CQJFXEZASZJGHD-VIFPVBQESA-N -1 0 316.288 2.347 50 0 DEAARM 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O=C([O-])c1csc(CNC(=O)C2(c3ccccc3)CC2)n1 ZINC000090932508 192954547 /nfs/dbraw/zinc/95/45/47/192954547.db2.gz IWLLQWYXBOQNSV-UHFFFAOYSA-N -1 0 302.355 2.189 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2cn(C)nc2C)cc1Cl ZINC000006726620 181377975 /nfs/dbraw/zinc/37/79/75/181377975.db2.gz ZCIBJSFHTPBIRO-UHFFFAOYSA-N -1 0 315.782 2.191 50 0 DEAARM COC(=O)c1cc(S(=O)(=O)[N-]c2c(C)cccc2C)c[nH]1 ZINC000006779726 181386544 /nfs/dbraw/zinc/38/65/44/181386544.db2.gz ZJGOYXYEDJCWAP-UHFFFAOYSA-N -1 0 308.359 2.219 50 0 DEAARM CCc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)OC)n(C)c1 ZINC000006777726 181386961 /nfs/dbraw/zinc/38/69/61/181386961.db2.gz PUBFLLGBEIEAMP-UHFFFAOYSA-N -1 0 322.386 2.175 50 0 DEAARM COc1cccc(CCC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(C)C)C2)c1 ZINC000092021848 193143131 /nfs/dbraw/zinc/14/31/31/193143131.db2.gz CDCRIRHLADXOSA-JKSUJKDBSA-N -1 0 319.401 2.443 50 0 DEAARM COc1ccccc1O[C@@H](C)CNC(=O)C(C)(C)CCC(=O)[O-] ZINC000630060587 367457363 /nfs/dbraw/zinc/45/73/63/367457363.db2.gz MWXDOIYKCKWWPG-LBPRGKRZSA-N -1 0 323.389 2.470 50 0 DEAARM CCC(CC)(CNC(=O)[C@H]1COc2cc(F)ccc2C1)C(=O)[O-] ZINC000630149291 367500144 /nfs/dbraw/zinc/50/01/44/367500144.db2.gz RNPFWKXSVISJTJ-GFCCVEGCSA-N -1 0 323.364 2.384 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCOCC(F)(F)F ZINC000299742487 304146693 /nfs/dbraw/zinc/14/66/93/304146693.db2.gz JOAAREWBNGOVSY-VWYCJHECSA-N -1 0 323.311 2.200 50 0 DEAARM CCN(C(=O)CN1CCC[C@@H]1C(=O)[O-])[C@@H](C)c1ccc(F)cc1 ZINC000237022713 284151925 /nfs/dbraw/zinc/15/19/25/284151925.db2.gz WDVLHDFVPBLJQD-SWLSCSKDSA-N -1 0 322.380 2.284 50 0 DEAARM Cc1nc(C(=O)N2CC[C@@](C(=O)[O-])(C(F)(F)F)C2)c(C)s1 ZINC000263039219 203431137 /nfs/dbraw/zinc/43/11/37/203431137.db2.gz PDAFGQRZHJVJMV-LLVKDONJSA-N -1 0 322.308 2.239 50 0 DEAARM O=C([O-])C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1cccs1 ZINC000013389033 181847859 /nfs/dbraw/zinc/84/78/59/181847859.db2.gz ISMHDXPZJQNEEF-JTQLQIEISA-N -1 0 319.338 2.423 50 0 DEAARM O=C([O-])[C@@]12CN(C(=O)C3CCCC3)C[C@@H]1c1ccccc1OC2 ZINC000096138277 304169437 /nfs/dbraw/zinc/16/94/37/304169437.db2.gz OPTVNCCXRBLHMG-RDTXWAMCSA-N -1 0 315.369 2.266 50 0 DEAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1c(C)cccc1C ZINC000016843205 182061836 /nfs/dbraw/zinc/06/18/36/182061836.db2.gz QYSGJWSFUIOXTC-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM Cc1cc(=O)n2nc(C(=O)Nc3cccc(Cl)c3)[n-]c2n1 ZINC000020728274 182244173 /nfs/dbraw/zinc/24/41/73/182244173.db2.gz VDXMDWAHITXESP-UHFFFAOYSA-N -1 0 303.709 2.044 50 0 DEAARM CCCc1cc(=O)n2nc(NC(=O)C3CCCCC3)[n-]c2n1 ZINC000021171444 182268190 /nfs/dbraw/zinc/26/81/90/182268190.db2.gz OTBREXLIYWYDSW-UHFFFAOYSA-N -1 0 303.366 2.301 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCCc1cccs1 ZINC000024982260 182396739 /nfs/dbraw/zinc/39/67/39/182396739.db2.gz WWLQGASNVIFBFJ-UHFFFAOYSA-N -1 0 324.427 2.092 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000027057413 182461477 /nfs/dbraw/zinc/46/14/77/182461477.db2.gz GELSDEQSNDUHQM-UHFFFAOYSA-N -1 0 304.346 2.401 50 0 DEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@H]2CC=CCC2)c1 ZINC000028813317 182540088 /nfs/dbraw/zinc/54/00/88/182540088.db2.gz CQHYXCBGKCPKAI-NSHDSACASA-N -1 0 309.387 2.481 50 0 DEAARM Cc1nc(-n2cccc2)sc1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000036354218 182818726 /nfs/dbraw/zinc/81/87/26/182818726.db2.gz FDDGRPJFPVGKDQ-UHFFFAOYSA-N -1 0 319.386 2.179 50 0 DEAARM COc1cccc2c1ccn2CCC(=O)NCCCC(=O)[O-] ZINC000040313321 183054389 /nfs/dbraw/zinc/05/43/89/183054389.db2.gz IVRFGYOLBYBJSQ-UHFFFAOYSA-N -1 0 304.346 2.021 50 0 biogenic DEAARM O=C([O-])c1ccc(/C=C\C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 ZINC000492347358 249044933 /nfs/dbraw/zinc/04/49/33/249044933.db2.gz JEGLWIACLLUPOQ-FCIQKIPGSA-N -1 0 315.369 2.426 50 0 DEAARM O=C([O-])[C@@]1(NC(=O)CCc2ccccc2Cl)CCSC1 ZINC000043509857 183368859 /nfs/dbraw/zinc/36/88/59/183368859.db2.gz WSRBYXFESZKETQ-CQSZACIVSA-N -1 0 313.806 2.349 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)CCOCC(F)(F)F)C1 ZINC000043584102 183373371 /nfs/dbraw/zinc/37/33/71/183373371.db2.gz CPUYOYYKXPLRFW-SNVBAGLBSA-N -1 0 311.300 2.059 50 0 DEAARM COc1cc(C)c([C@H](C)N2C[C@@H](C(=O)[O-])CC2=O)cc1OC ZINC000044979097 183472839 /nfs/dbraw/zinc/47/28/39/183472839.db2.gz SBWLVKNHWXJDJX-QWRGUYRKSA-N -1 0 307.346 2.006 50 0 DEAARM CCN(CC)S(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1C ZINC000123637734 284752411 /nfs/dbraw/zinc/75/24/11/284752411.db2.gz VYNPFMUAQJCSBM-UHFFFAOYSA-N -1 0 305.783 2.377 50 0 DEAARM O=C([O-])[C@H]1C[C@@H]1C(=O)NCc1ccc(F)cc1C(F)(F)F ZINC000268916476 207083879 /nfs/dbraw/zinc/08/38/79/207083879.db2.gz QHFLNVOFQXEGHF-IUCAKERBSA-N -1 0 305.227 2.181 50 0 DEAARM CSC1(CNC(=O)c2ccc(C(=O)[O-])cc2)CCOCC1 ZINC000268951262 207113943 /nfs/dbraw/zinc/11/39/43/207113943.db2.gz QNCVBAUCJWSBMH-UHFFFAOYSA-N -1 0 309.387 2.027 50 0 DEAARM Cc1ccc(C)c(NC(=O)[C@@H](Cc2ccncc2)c2nnn[n-]2)c1 ZINC000057523503 184040830 /nfs/dbraw/zinc/04/08/30/184040830.db2.gz NCQRHAARLDRZNA-AWEZNQCLSA-N -1 0 322.372 2.177 50 0 DEAARM Cc1ccc(F)c(S(=O)(=O)[N-]c2ccc3oc(=O)[nH]c3c2)c1 ZINC000058247654 184095070 /nfs/dbraw/zinc/09/50/70/184095070.db2.gz PIVSGCKDCJRSPX-UHFFFAOYSA-N -1 0 322.317 2.369 50 0 DEAARM Cc1cc(S(=O)(=O)N(CC(=O)[O-])CC(C)C)c(C)s1 ZINC000059880918 184142030 /nfs/dbraw/zinc/14/20/30/184142030.db2.gz XDIFYKDCSMHQAL-UHFFFAOYSA-N -1 0 305.421 2.096 50 0 DEAARM CCS(=O)(=O)[N-]c1ccccc1C(=O)N1CCC[C@H](C)C1 ZINC000065475224 184351609 /nfs/dbraw/zinc/35/16/09/184351609.db2.gz YVSBEEHELRECER-LBPRGKRZSA-N -1 0 310.419 2.320 50 0 DEAARM O=C([O-])[C@@H]1CCC(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc(F)c1 ZINC000069485189 184518675 /nfs/dbraw/zinc/51/86/75/184518675.db2.gz KGMULEUZKCZJJS-SQWLQELKSA-N -1 0 321.348 2.369 50 0 DEAARM Cc1noc(C)c1CN1C(=O)C[C@@H](C(=O)[O-])[C@H]1c1ccccc1 ZINC000069492028 184519904 /nfs/dbraw/zinc/51/99/04/184519904.db2.gz YRFSBKFBUYZEIK-CZUORRHYSA-N -1 0 314.341 2.466 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000238063296 304240401 /nfs/dbraw/zinc/24/04/01/304240401.db2.gz AFDXPBBHWRIIGB-CVEARBPZSA-N -1 0 317.385 2.487 50 0 DEAARM O=C([O-])c1ccc(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=O)cc1 ZINC000000488255 304246024 /nfs/dbraw/zinc/24/60/24/304246024.db2.gz DSQWDJQXFPYPEK-HNNXBMFYSA-N -1 0 322.320 2.278 50 0 DEAARM O=C([O-])c1ccc2[nH]c(-c3cnc(N4CCCC4)nc3)nc2c1 ZINC000048877384 304254527 /nfs/dbraw/zinc/25/45/27/304254527.db2.gz WTJUFWDLLDDIML-UHFFFAOYSA-N -1 0 309.329 2.318 50 0 DEAARM CN(CC1(O)CCCC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000153865870 196915843 /nfs/dbraw/zinc/91/58/43/196915843.db2.gz DMHKELCICMLFRT-UHFFFAOYSA-N -1 0 306.387 2.494 50 0 DEAARM O=C([O-])CCN(C(=O)c1cc2c(s1)CCC2)C1CCOCC1 ZINC000238077408 257237892 /nfs/dbraw/zinc/23/78/92/257237892.db2.gz IWYQVZDBCMSOHI-UHFFFAOYSA-N -1 0 323.414 2.333 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1ccc(N2CCOC2=O)cc1 ZINC000071819504 184852145 /nfs/dbraw/zinc/85/21/45/184852145.db2.gz AIZSRFXVEMGXBO-UHFFFAOYSA-N -1 0 320.345 2.473 50 0 DEAARM COc1ccc(CNC(=O)CC[C@@H]2CC[C@H](C)O2)cc1C(=O)[O-] ZINC000299752710 533579089 /nfs/dbraw/zinc/57/90/89/533579089.db2.gz VDELBBNJLDXOHY-AAEUAGOBSA-N -1 0 321.373 2.357 50 0 DEAARM COC(=O)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000256940 292025382 /nfs/dbraw/zinc/02/53/82/292025382.db2.gz DEAVWQSRBJQFEW-QWRGUYRKSA-N -1 0 305.330 2.303 50 0 DEAARM O=C([O-])[C@@H]1CCC[C@@H]1NC(=O)COc1ccc2c(c1)CCCC2 ZINC000262990091 145316098 /nfs/dbraw/zinc/31/60/98/145316098.db2.gz VDJLBNBICHTKRT-CVEARBPZSA-N -1 0 317.385 2.314 50 0 DEAARM C[C@H]1CC[C@H](C(=O)[O-])CN1C(=O)c1cc(N2CCCC2)ccn1 ZINC000263053015 145321687 /nfs/dbraw/zinc/32/16/87/145321687.db2.gz ACYNQGHCKCTMFT-STQMWFEESA-N -1 0 317.389 2.007 50 0 DEAARM O=C([O-])CCCN1C(=O)[C@H](c2ccccc2)Oc2cccnc21 ZINC000006751399 401732859 /nfs/dbraw/zinc/73/28/59/401732859.db2.gz BOBQOIJTZCZWLK-HNNXBMFYSA-N -1 0 312.325 2.413 50 0 DEAARM O=C([O-])[C@H]1CS[C@H](c2cc(F)ccc2Br)N1 ZINC000000076435 401687709 /nfs/dbraw/zinc/68/77/09/401687709.db2.gz UAVIBZFBXKULRR-RKDXNWHRSA-N -1 0 306.156 2.376 50 0 DEAARM CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000000101887 401688032 /nfs/dbraw/zinc/68/80/32/401688032.db2.gz UDRWDJAGOFNMBH-UHFFFAOYSA-N -1 0 320.374 2.016 50 0 DEAARM COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCCC(=O)[O-])CC2 ZINC000000153185 401688589 /nfs/dbraw/zinc/68/85/89/401688589.db2.gz KGCXBHDZPKHFES-LLVKDONJSA-N -1 0 321.373 2.404 50 0 DEAARM O=C([O-])CNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 ZINC000000186265 401689499 /nfs/dbraw/zinc/68/94/99/401689499.db2.gz MEMNYHFDFMYORV-UHFFFAOYSA-N -1 0 321.336 2.354 50 0 DEAARM COc1ccc(CCNC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000282755 401693519 /nfs/dbraw/zinc/69/35/19/401693519.db2.gz SBACHGGZEYMQAB-GJZGRUSLSA-N -1 0 305.374 2.245 50 0 DEAARM Nc1cc(C(O)(C(F)(F)F)C(F)(F)F)ccc1C(=O)[O-] ZINC000000344342 401694837 /nfs/dbraw/zinc/69/48/37/401694837.db2.gz HZECFDLHWWIVRX-UHFFFAOYSA-N -1 0 303.158 2.279 50 0 DEAARM Cc1c(Br)c(C(F)(F)F)nn1CCC(=O)[O-] ZINC000002549554 401714692 /nfs/dbraw/zinc/71/46/92/401714692.db2.gz WAWUNNWVIAVOHP-UHFFFAOYSA-N -1 0 301.062 2.448 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)OC1CCCCC1)C(=O)[O-] ZINC000002528219 401714942 /nfs/dbraw/zinc/71/49/42/401714942.db2.gz NLPQIWFEEKQBBN-LLVKDONJSA-N -1 0 315.366 2.230 50 0 DEAARM O=C([O-])c1ccc(N[C@H]2CC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000002662423 401716528 /nfs/dbraw/zinc/71/65/28/401716528.db2.gz UADTTZUIDNGYDV-HNNXBMFYSA-N -1 0 324.336 2.124 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000013171229 401797612 /nfs/dbraw/zinc/79/76/12/401797612.db2.gz PDZKGOXPAAUOMT-MRVPVSSYSA-N -1 0 311.721 2.006 50 0 DEAARM COc1ccc(CNC(=O)Cc2ccc(F)cc2)cc1C(=O)[O-] ZINC000013392908 401799388 /nfs/dbraw/zinc/79/93/88/401799388.db2.gz JZNSANLAPPRWFZ-UHFFFAOYSA-N -1 0 317.316 2.391 50 0 DEAARM COc1cc(C(=O)[O-])ccc1O[C@@H](C)C(=O)Nc1cc(C)on1 ZINC000013420493 401800217 /nfs/dbraw/zinc/80/02/17/401800217.db2.gz ITSZLKGIIDFCFJ-VIFPVBQESA-N -1 0 320.301 2.096 50 0 DEAARM CCOCCC1C(=O)N=C(SCc2ccc(F)cc2)N=C1[O-] ZINC000013957202 401805704 /nfs/dbraw/zinc/80/57/04/401805704.db2.gz WTWWSWFFVDTHJH-UHFFFAOYSA-N -1 0 324.377 2.486 50 0 DEAARM CC(C)[C@@H]1C(=O)Nc2ccccc2N1C(=O)NCCC(=O)[O-] ZINC000008766918 401756299 /nfs/dbraw/zinc/75/62/99/401756299.db2.gz VGXUSOFJIGWBMO-CYBMUJFWSA-N -1 0 305.334 2.304 50 0 DEAARM CSc1nn2c([n-]1)nc(CSc1ccccn1)cc2=O ZINC000009422761 401762478 /nfs/dbraw/zinc/76/24/78/401762478.db2.gz QOCPBUSQMKBBDP-UHFFFAOYSA-N -1 0 305.388 2.239 50 0 DEAARM CCN(CC)C(=O)c1cccc(NC(=O)CCCC(=O)[O-])c1 ZINC000012403784 401785297 /nfs/dbraw/zinc/78/52/97/401785297.db2.gz PAKNSOTVIKMYNE-UHFFFAOYSA-N -1 0 306.362 2.362 50 0 DEAARM Cn1cnc(S(=O)(=O)[N-]c2cccc3cccnc32)c1Cl ZINC000026535237 401841208 /nfs/dbraw/zinc/84/12/08/401841208.db2.gz HYRRSDCQQWQSSY-UHFFFAOYSA-N -1 0 322.777 2.423 50 0 DEAARM Cc1cc(S[C@H](C(=O)[O-])c2ccccc2)n2ncnc2n1 ZINC000030822757 401866104 /nfs/dbraw/zinc/86/61/04/401866104.db2.gz HEMVHHGDLAWWJE-LBPRGKRZSA-N -1 0 300.343 2.351 50 0 DEAARM Cc1nc(-n2cccc2)sc1C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000036359947 401905111 /nfs/dbraw/zinc/90/51/11/401905111.db2.gz CDXDHLSJAVROBM-NSHDSACASA-N -1 0 321.402 2.471 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCC(C)CC2)sc1C(=O)[O-] ZINC000037238502 401911529 /nfs/dbraw/zinc/91/15/29/401911529.db2.gz BTEORHOJBLGXRM-UHFFFAOYSA-N -1 0 303.405 2.175 50 0 DEAARM COc1cccc(-c2ccc(N3CCC(C(=O)[O-])CC3)nn2)c1 ZINC000049455619 402017892 /nfs/dbraw/zinc/01/78/92/402017892.db2.gz KKDKFFAIIQZUMZ-UHFFFAOYSA-N -1 0 313.357 2.453 50 0 DEAARM Cn1ccc(C(=O)N2CCC[C@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095362881 402027506 /nfs/dbraw/zinc/02/75/06/402027506.db2.gz WNXMNLWYRRNMSY-AWEZNQCLSA-N -1 0 313.357 2.138 50 0 DEAARM C[C@]12CC3CC(C(=O)NCCCc4nnn[n-]4)(C1)C[C@@](C)(C3)C2 ZINC000055211198 402077831 /nfs/dbraw/zinc/07/78/31/402077831.db2.gz TWMDYVBQEQOQBK-TWDRJXRQSA-N -1 0 317.437 2.245 50 0 DEAARM CC(C)c1nc(CN(C)Cc2nc(=O)c3sccc3[n-]2)no1 ZINC000097095270 402106328 /nfs/dbraw/zinc/10/63/28/402106328.db2.gz 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ZINC000069487748 402225869 /nfs/dbraw/zinc/22/58/69/402225869.db2.gz GWZHDTHBANRCSB-ZBFHGGJFSA-N -1 0 321.373 2.096 50 0 DEAARM O=C(N[C@H]1CCOc2ccccc21)c1n[n-]c2ccccc2c1=O ZINC000069651967 402236620 /nfs/dbraw/zinc/23/66/20/402236620.db2.gz WQISVJWFCOUQCR-ZDUSSCGKSA-N -1 0 321.336 2.177 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2ccc(F)cn2)cc1OC ZINC000069675759 402238525 /nfs/dbraw/zinc/23/85/25/402238525.db2.gz JWIAPMUGHVJBJK-UHFFFAOYSA-N -1 0 312.322 2.039 50 0 DEAARM O=C([O-])C1(O)CCN(c2ccc3cccc(Cl)c3n2)CC1 ZINC000071775628 402277422 /nfs/dbraw/zinc/27/74/22/402277422.db2.gz FDSOZZVCHRDPSW-UHFFFAOYSA-N -1 0 306.749 2.304 50 0 DEAARM CCNC(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCC2)cc1 ZINC000071808768 402279933 /nfs/dbraw/zinc/27/99/33/402279933.db2.gz XPRYGIBXVWTHFU-UHFFFAOYSA-N -1 0 318.373 2.410 50 0 DEAARM COc1ccc(OC)c(/C=C/C(=O)N(C)CCCC(=O)[O-])c1 ZINC000071831259 402285473 /nfs/dbraw/zinc/28/54/73/402285473.db2.gz JTZWBDSSDFDAPX-RMKNXTFCSA-N -1 0 307.346 2.040 50 0 DEAARM 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/nfs/dbraw/zinc/09/43/33/181094333.db2.gz WDPBUGSOFADJLV-GHMZBOCLSA-N -1 0 315.753 2.351 50 0 DEAARM O=C([O-])[C@@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1CCCO1 ZINC000059922308 354606509 /nfs/dbraw/zinc/60/65/09/354606509.db2.gz PNJFRSXRRGAUQJ-CVEARBPZSA-N -1 0 313.353 2.131 50 0 DEAARM Cc1ccsc1C(=O)N1CCC[C@H](n2cc(C(=O)[O-])cn2)C1 ZINC000097032635 355701086 /nfs/dbraw/zinc/70/10/86/355701086.db2.gz ZXQYXQNLIGGSJG-LBPRGKRZSA-N -1 0 319.386 2.429 50 0 DEAARM O=C(NCCC1=CCOCC1)c1cc(F)c(F)c([O-])c1F ZINC000097237117 355704184 /nfs/dbraw/zinc/70/41/84/355704184.db2.gz MHPMTPIZUDBLDL-UHFFFAOYSA-N -1 0 301.264 2.276 50 0 DEAARM CCOC[C@@H]1CCCN1C(=O)c1cc(OC)cc(C(=O)[O-])c1 ZINC000150312024 355921730 /nfs/dbraw/zinc/92/17/30/355921730.db2.gz SCFYWHUZLINFSV-ZDUSSCGKSA-N -1 0 307.346 2.035 50 0 DEAARM Cc1nonc1[N-]S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000170087102 355985975 /nfs/dbraw/zinc/98/59/75/355985975.db2.gz DKZLLMFXFASBBD-UHFFFAOYSA-N -1 0 308.146 2.486 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]c2ccnc(N(C)C)n2)c(C)s1 ZINC000170609097 355988768 /nfs/dbraw/zinc/98/87/68/355988768.db2.gz ZGPFXXWESJCULK-UHFFFAOYSA-N -1 0 312.420 2.022 50 0 DEAARM CSCC[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000005450946 181244935 /nfs/dbraw/zinc/24/49/35/181244935.db2.gz YPMYDSHISNOZST-ZDUSSCGKSA-N -1 0 306.387 2.033 50 0 in-vitro DEAARM CC(C)C[C@H](CNC(=O)c1c(Cl)nc2ccccn21)C(=O)[O-] ZINC000225551169 356276678 /nfs/dbraw/zinc/27/66/78/356276678.db2.gz OOFVIHZTWVBDLB-SNVBAGLBSA-N -1 0 323.780 2.464 50 0 DEAARM O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1c([O-])cc(F)cc1F ZINC000081702385 192315023 /nfs/dbraw/zinc/31/50/23/192315023.db2.gz NHDHPLBRNRSUNP-DZGCQCFKSA-N -1 0 305.280 2.059 50 0 DEAARM CCO[C@H]1C[C@H]1C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000236962070 202094817 /nfs/dbraw/zinc/09/48/17/202094817.db2.gz QGYNKEYJVXHBOV-CABCVRRESA-N -1 0 317.385 2.056 50 0 DEAARM COc1ccccc1C[C@@H](C)CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237193003 202185199 /nfs/dbraw/zinc/18/51/99/202185199.db2.gz OUYAGOKFCZVQTC-TZMCWYRMSA-N -1 0 305.374 2.197 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1CC2(CCCC2)[C@@H]1C(=O)[O-] ZINC000585134314 357335987 /nfs/dbraw/zinc/33/59/87/357335987.db2.gz MTWZRYCZNRYHQD-AWEZNQCLSA-N -1 0 306.362 2.080 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)[C@@H]1CCCc2c(O)cccc21 ZINC000585134324 357336378 /nfs/dbraw/zinc/33/63/78/357336378.db2.gz NDRADLCITWXLHK-KGLIPLIRSA-N -1 0 303.358 2.278 50 0 DEAARM CC[C@H](C)n1ncc([N-]S(=O)(=O)c2cccnc2F)c1C ZINC000585140484 357338108 /nfs/dbraw/zinc/33/81/08/357338108.db2.gz FVLTZZVHUFJOHQ-VIFPVBQESA-N -1 0 312.370 2.497 50 0 DEAARM COc1cccc([C@H]2C[C@@H]2C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237327416 202233181 /nfs/dbraw/zinc/23/31/81/202233181.db2.gz FHCVQKTZKMNPLK-CABCVRRESA-N -1 0 303.358 2.122 50 0 DEAARM COc1ccc(/C(C)=C/C(=O)N2CCC(C(=O)[O-])CC2)cc1 ZINC000237333305 202235337 /nfs/dbraw/zinc/23/53/37/202235337.db2.gz MIFVWLFFOLVBGN-VAWYXSNFSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])c1ccccc1C1CCN(c2ncnc3nc[nH]c32)CC1 ZINC000668169820 540606354 /nfs/dbraw/zinc/60/63/54/540606354.db2.gz CFVPOCNFZYKLAY-UHFFFAOYSA-N -1 0 323.356 2.435 50 0 DEAARM Cc1nc(C(F)(F)F)ccc1C(=O)N(CC(=O)[O-])C1CC1 ZINC000237563702 202284615 /nfs/dbraw/zinc/28/46/15/202284615.db2.gz HOYPSJXEBWPGNG-UHFFFAOYSA-N -1 0 302.252 2.098 50 0 DEAARM Cc1ccc([C@H]2COCCN2C(=O)c2cccc(C(=O)[O-])c2)o1 ZINC000237658715 202320378 /nfs/dbraw/zinc/32/03/78/202320378.db2.gz XKDOCJLHCVAZTK-CQSZACIVSA-N -1 0 315.325 2.500 50 0 DEAARM Cc1nn(C)c(C)c1CCC(=O)N1CCCC[C@@H]1CCC(=O)[O-] ZINC000237686736 202327978 /nfs/dbraw/zinc/32/79/78/202327978.db2.gz NYVDQVXHWUDECH-CQSZACIVSA-N -1 0 321.421 2.215 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCCOc2cccc(F)c2)C1 ZINC000237775985 202352353 /nfs/dbraw/zinc/35/23/53/202352353.db2.gz WHOSMXSTDINYPY-INIZCTEOSA-N -1 0 309.337 2.308 50 0 DEAARM Cc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c(C)c1 ZINC000237842413 202367985 /nfs/dbraw/zinc/36/79/85/202367985.db2.gz XVLWVHCVZGVPOL-UHFFFAOYSA-N -1 0 305.374 2.399 50 0 DEAARM Cc1ccc(/C=C/C(=O)N(CCC(=O)[O-])C2CCOCC2)cc1 ZINC000237815878 202362867 /nfs/dbraw/zinc/36/28/67/202362867.db2.gz HXQJEAIVZFKOIY-VOTSOKGWSA-N -1 0 317.385 2.491 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CC23CCOCC3)c2ccccc21 ZINC000669434646 540832630 /nfs/dbraw/zinc/83/26/30/540832630.db2.gz IGYKGBWVKPDXOK-KGLIPLIRSA-N -1 0 315.369 2.408 50 0 DEAARM Cc1ccn(CCc2nc(C)nn2-c2cccc(C(=O)[O-])c2)n1 ZINC000670455112 540936323 /nfs/dbraw/zinc/93/63/23/540936323.db2.gz GFHUEZWOIWRSQY-UHFFFAOYSA-N -1 0 311.345 2.022 50 0 DEAARM Cc1ccsc1CN1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000091663085 193087017 /nfs/dbraw/zinc/08/70/17/193087017.db2.gz QWFFVENGZAJQTF-UHFFFAOYSA-N -1 0 305.403 2.286 50 0 DEAARM COc1ccc(F)cc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C2CC2)C1 ZINC000091713833 193096051 /nfs/dbraw/zinc/09/60/51/193096051.db2.gz SCFNBZKYYFEFCD-QWHCGFSZSA-N -1 0 307.321 2.017 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)CCCOc2ccccc2)C[C@H]1C1CC1 ZINC000091745664 193099927 /nfs/dbraw/zinc/09/99/27/193099927.db2.gz ZMPVESDOTIMPJW-JKSUJKDBSA-N -1 0 317.385 2.415 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)C[C@H]2OCCc3ccccc32)o1 ZINC000262182013 203222172 /nfs/dbraw/zinc/22/21/72/203222172.db2.gz SEMCIBIPELBJPN-OAHLLOKOSA-N -1 0 315.325 2.298 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)Cc1cccs1 ZINC000021017963 304152117 /nfs/dbraw/zinc/15/21/17/304152117.db2.gz LNKOSJUUJWHVGE-AWEZNQCLSA-N -1 0 301.367 2.329 50 0 DEAARM COc1cc(C)cc([C@@H](C(=O)[O-])N(C)Cc2ccon2)c1OC ZINC000095364441 193432807 /nfs/dbraw/zinc/43/28/07/193432807.db2.gz SSKJCDWJZNWSHC-AWEZNQCLSA-N -1 0 320.345 2.258 50 0 DEAARM CCCCOc1cc(F)ccc1[C@H](C(=O)[O-])N1CCOCC1 ZINC000095371887 193435785 /nfs/dbraw/zinc/43/57/85/193435785.db2.gz NDXUHWXRHUFIAM-OAHLLOKOSA-N -1 0 311.353 2.463 50 0 DEAARM Cc1ccc(S(=O)(=O)NCCCC(=O)[O-])c2ccccc12 ZINC000012291207 181745798 /nfs/dbraw/zinc/74/57/98/181745798.db2.gz KYIBNARUFUPWDS-UHFFFAOYSA-N -1 0 307.371 2.291 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1noc2c1CCCC2)c1ccccc1 ZINC000095947188 304173443 /nfs/dbraw/zinc/17/34/43/304173443.db2.gz DNSANPKYJLFKEK-CYBMUJFWSA-N -1 0 300.314 2.109 50 0 DEAARM O=C([O-])C[C@@](O)(c1nccn1Cc1ccccc1)C(F)(F)F ZINC000038342330 182998624 /nfs/dbraw/zinc/99/86/24/182998624.db2.gz OPHSJZHBGVPCBO-CYBMUJFWSA-N -1 0 314.263 2.156 50 0 DEAARM COc1cccc2c1ccn2CCC(=O)N[C@H](C(=O)[O-])C(C)C ZINC000040312604 183053497 /nfs/dbraw/zinc/05/34/97/183053497.db2.gz JBZKZMZAGWHHLS-INIZCTEOSA-N -1 0 318.373 2.265 50 0 biogenic DEAARM CCOC[C@H]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)C1 ZINC000492117115 249001726 /nfs/dbraw/zinc/00/17/26/249001726.db2.gz INSRZNFTWLCBCC-PODYEWJSSA-N -1 0 303.358 2.283 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)[C@H]1COc2ccccc21 ZINC000268934653 304206894 /nfs/dbraw/zinc/20/68/94/304206894.db2.gz FTNVNWWVGIFXKU-JKSUJKDBSA-N -1 0 323.348 2.201 50 0 DEAARM O=C([O-])c1c2cc[nH]c2nc(I)c1F ZINC000066054229 304218264 /nfs/dbraw/zinc/21/82/64/304218264.db2.gz BZYLLSIPXQAKJK-UHFFFAOYSA-N -1 0 306.034 2.005 50 0 DEAARM Cc1nc2c(cnn2C)c(NCCc2ccc(C(=O)[O-])cc2)n1 ZINC000048373931 183652978 /nfs/dbraw/zinc/65/29/78/183652978.db2.gz LNSUVLOHUWNEEA-UHFFFAOYSA-N -1 0 311.345 2.025 50 0 DEAARM Cc1cc(-c2nnc([N-]C(=O)c3snnc3C)o2)c(C)o1 ZINC000056907256 184021311 /nfs/dbraw/zinc/02/13/11/184021311.db2.gz UMCUAUHMBYJVGJ-UHFFFAOYSA-N -1 0 305.319 2.359 50 0 DEAARM O=C([O-])C[C@@H](CC(=O)NC[C@@H]1CCCO1)c1ccc(F)cc1 ZINC000057653756 184043991 /nfs/dbraw/zinc/04/39/91/184043991.db2.gz RKGFFMXEFZYAQE-OCCSQVGLSA-N -1 0 309.337 2.069 50 0 DEAARM O=C([O-])CCCNC(=O)NCc1ccccc1C(F)(F)F ZINC000061627367 184179318 /nfs/dbraw/zinc/17/93/18/184179318.db2.gz SGRVOCHZSCSPRM-UHFFFAOYSA-N -1 0 304.268 2.369 50 0 DEAARM O=C([O-])[C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)C1 ZINC000062119998 184207206 /nfs/dbraw/zinc/20/72/06/184207206.db2.gz ACWCJSDVHUWSML-SSDOTTSWSA-N -1 0 324.185 2.089 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cc3c(c(Cl)c2)OCO3)C1 ZINC000062913795 184259654 /nfs/dbraw/zinc/25/96/54/184259654.db2.gz ZTAYVUKUFKDBFH-AWEZNQCLSA-N -1 0 311.721 2.006 50 0 DEAARM CCc1nnc2c(S(=O)(=O)[N-]c3cccc(F)c3)cccn12 ZINC000062592005 184244389 /nfs/dbraw/zinc/24/43/89/184244389.db2.gz FITCQYRRJLOARL-UHFFFAOYSA-N -1 0 320.349 2.232 50 0 DEAARM CCc1ccc([N-]S(=O)(=O)c2cccn3cnnc23)cc1 ZINC000062592009 184244521 /nfs/dbraw/zinc/24/45/21/184244521.db2.gz WXSIBYCMULVJSE-UHFFFAOYSA-N -1 0 302.359 2.093 50 0 DEAARM Cc1oc(-c2ccccc2)nc1CC(=O)NC(C)(C)C(=O)[O-] ZINC000065415688 184340436 /nfs/dbraw/zinc/34/04/36/184340436.db2.gz HUTJFPBVMJHQIE-UHFFFAOYSA-N -1 0 302.330 2.172 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(Cc2cc(-c3ccc(Cl)cc3)no2)C1 ZINC000065488879 184353157 /nfs/dbraw/zinc/35/31/57/184353157.db2.gz SAPCZKUSNZVLTP-JTQLQIEISA-N -1 0 320.732 2.428 50 0 DEAARM CCOc1ccc(C(=O)N2CC[C@H](C(=O)[O-])C2)cc1OCC ZINC000269204283 207322836 /nfs/dbraw/zinc/32/28/36/207322836.db2.gz SJPOBBKTSUWVFR-LBPRGKRZSA-N -1 0 307.346 2.031 50 0 DEAARM CC(C)c1nc(=NCc2cnc(Br)cn2)s[n-]1 ZINC000521398401 257235285 /nfs/dbraw/zinc/23/52/85/257235285.db2.gz DQOOELZSOLFKFL-UHFFFAOYSA-N -1 0 314.212 2.248 50 0 DEAARM CNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1 ZINC000069572877 184815773 /nfs/dbraw/zinc/81/57/73/184815773.db2.gz IHMHJICWPRRLBP-UHFFFAOYSA-N -1 0 310.400 2.217 50 0 DEAARM CCc1noc(CC)c1CC(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237072704 132557728 /nfs/dbraw/zinc/55/77/28/132557728.db2.gz IALCHBBUAWLFDN-LBPRGKRZSA-N -1 0 322.405 2.445 50 0 DEAARM O=C([O-])[C@H](NC(=O)c1ccc2c(c1)CCC=C2)[C@H]1CCCOC1 ZINC000263533745 132590057 /nfs/dbraw/zinc/59/00/57/132590057.db2.gz NPRORJKHNWPILI-JKSUJKDBSA-N -1 0 315.369 2.256 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000434434 292013757 /nfs/dbraw/zinc/01/37/57/292013757.db2.gz GIYQEAMTVKFESX-OLZOCXBDSA-N -1 0 303.314 2.079 50 0 DEAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)NCCc1ccccc1 ZINC000006742341 401732158 /nfs/dbraw/zinc/73/21/58/401732158.db2.gz XOZAHVYJTCZYCE-CKUJCDMFSA-N -1 0 301.386 2.482 50 0 DEAARM COc1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1O ZINC000007422578 401740238 /nfs/dbraw/zinc/74/02/38/401740238.db2.gz GSWJGXBIYIYUHZ-UHFFFAOYSA-N -1 0 315.297 2.480 50 0 DEAARM CCOc1ccc(/C=C2/NC(=O)[N-]C2=O)cc1Br ZINC000000072252 401687746 /nfs/dbraw/zinc/68/77/46/401687746.db2.gz GDTOOHALXNWXMD-RMKNXTFCSA-N -1 0 311.135 2.028 50 0 DEAARM CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)[O-] ZINC000000114217 401688163 /nfs/dbraw/zinc/68/81/63/401688163.db2.gz NUBVVMYRSWGRBI-SNVBAGLBSA-N -1 0 300.152 2.288 50 0 DEAARM O=C([O-])CCC(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000000386862 401696284 /nfs/dbraw/zinc/69/62/84/401696284.db2.gz GLHBEGVYVBHTQV-UHFFFAOYSA-N -1 0 316.313 2.013 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)NCc1cccs1 ZINC000000539439 401700736 /nfs/dbraw/zinc/70/07/36/401700736.db2.gz ZEZAIRIWDPKSIT-ZDUSSCGKSA-N -1 0 304.371 2.243 50 0 DEAARM Cc1noc2ncc(NC(=O)c3n[n-]c4ccccc4c3=O)cc12 ZINC000072287876 401706571 /nfs/dbraw/zinc/70/65/71/401706571.db2.gz RITDFLXVEUQCAS-UHFFFAOYSA-N -1 0 321.296 2.020 50 0 DEAARM O=S(=O)([N-]c1ncn(Cc2ccccc2)n1)c1cccs1 ZINC000002789852 401718726 /nfs/dbraw/zinc/71/87/26/401718726.db2.gz XPAQSXFIUAQHBI-UHFFFAOYSA-N -1 0 320.399 2.189 50 0 DEAARM CN(Cc1cccs1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013308690 401798686 /nfs/dbraw/zinc/79/86/86/401798686.db2.gz IZHAXCWOJWULAH-UHFFFAOYSA-N -1 0 317.413 2.329 50 0 DEAARM O=c1[n-]c(Nc2ccc(CCO)cc2)nnc1Cc1ccccc1 ZINC000009061176 401758770 /nfs/dbraw/zinc/75/87/70/401758770.db2.gz LQVFNAZUZSPMAM-UHFFFAOYSA-N -1 0 322.368 2.446 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCc2ccccc21 ZINC000010112419 401768150 /nfs/dbraw/zinc/76/81/50/401768150.db2.gz ZBMIVGFUARJOEP-UHFFFAOYSA-N -1 0 316.382 2.261 50 0 DEAARM COc1ccc(/C(C)=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000128556748 401782620 /nfs/dbraw/zinc/78/26/20/401782620.db2.gz WLRNZLWTFYPUSZ-WONIAPNHSA-N -1 0 303.358 2.422 50 0 DEAARM CC(=O)NCc1ccc(S(=O)(=O)[N-]c2cccc(C)c2)s1 ZINC000015347866 401817741 /nfs/dbraw/zinc/81/77/41/401817741.db2.gz AGUHUZISEAXZCB-UHFFFAOYSA-N -1 0 324.427 2.493 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2cccnc2-n2cccn2)s1 ZINC000078556735 401856083 /nfs/dbraw/zinc/85/60/83/401856083.db2.gz FIVPQETYFHXPTF-UHFFFAOYSA-N -1 0 320.399 2.438 50 0 DEAARM COC(=O)c1c(NC(=O)/C=C\C(=O)[O-])sc2c1CCCCC2 ZINC000033456027 401891082 /nfs/dbraw/zinc/89/10/82/401891082.db2.gz DPFGBWHNUMMBNF-FPLPWBNLSA-N -1 0 323.370 2.383 50 0 DEAARM Cc1ccccc1-c1nc(C(N)=S)c(NCCC(=O)[O-])o1 ZINC000035672430 401900609 /nfs/dbraw/zinc/90/06/09/401900609.db2.gz UDQHGQCZDFNHAB-UHFFFAOYSA-N -1 0 305.359 2.171 50 0 DEAARM COC(=O)c1ccc(C(=O)[N-]c2nnc(C(F)F)s2)o1 ZINC000118941197 401914226 /nfs/dbraw/zinc/91/42/26/401914226.db2.gz DJDXIWMJWPGWGM-UHFFFAOYSA-N -1 0 303.246 2.108 50 0 DEAARM Cc1occc1C(=O)N[C@](C)(COc1ccccc1)C(=O)[O-] ZINC000089540624 401951545 /nfs/dbraw/zinc/95/15/45/401951545.db2.gz IWXIWMKKXWGRHE-MRXNPFEDSA-N -1 0 303.314 2.240 50 0 DEAARM Cc1nc(-c2cccc(F)c2)sc1C(=O)NCCC(=O)[O-] ZINC000049550476 402019427 /nfs/dbraw/zinc/01/94/27/402019427.db2.gz GPUNFGLXCCPYLR-UHFFFAOYSA-N -1 0 308.334 2.462 50 0 DEAARM CCc1nc(CN(C)[C@H](C(=O)[O-])c2cccc(F)c2F)no1 ZINC000095352333 402026558 /nfs/dbraw/zinc/02/65/58/402026558.db2.gz MQUSTXNKOJJACX-ZDUSSCGKSA-N -1 0 311.288 2.168 50 0 DEAARM CCOc1ccccc1[C@@H](C(=O)[O-])N(C)Cc1nccn1C ZINC000095372760 402029312 /nfs/dbraw/zinc/02/93/12/402029312.db2.gz GZQKBWWOXFSLRY-HNNXBMFYSA-N -1 0 303.362 2.077 50 0 DEAARM Cc1nnc(CN(C)[C@H](C(=O)[O-])c2ccc(F)c(Cl)c2)o1 ZINC000095379007 402030358 /nfs/dbraw/zinc/03/03/58/402030358.db2.gz XXHBPOYLVMPTNZ-LBPRGKRZSA-N -1 0 313.716 2.428 50 0 DEAARM CCOc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1CO ZINC000051149494 402032245 /nfs/dbraw/zinc/03/22/45/402032245.db2.gz REPWEZZPCCYPNT-KBPBESRZSA-N -1 0 319.357 2.183 50 0 DEAARM Cn1cccc1C(=O)N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000095970091 402038286 /nfs/dbraw/zinc/03/82/86/402038286.db2.gz IMJLAAWWDLNXJI-UHFFFAOYSA-N -1 0 322.311 2.420 50 0 DEAARM CCC[C@@H](C)C(=O)NC[C@@H](Cc1ccccc1OC)C(=O)[O-] ZINC000095989876 402043388 /nfs/dbraw/zinc/04/33/88/402043388.db2.gz GWOIQKWVDRODJS-TZMCWYRMSA-N -1 0 307.390 2.491 50 0 DEAARM CCSc1nc(CC(=O)N2CCCC[C@@H]2C(=O)[O-])cs1 ZINC000055415055 402081937 /nfs/dbraw/zinc/08/19/37/402081937.db2.gz ARSPIHYUNJXFAF-SNVBAGLBSA-N -1 0 314.432 2.263 50 0 DEAARM Cc1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(F)cc2)n1 ZINC000096476295 402093691 /nfs/dbraw/zinc/09/36/91/402093691.db2.gz SXYQSIDPLBNECB-CQSZACIVSA-N -1 0 302.305 2.475 50 0 DEAARM O=S1(=O)C=C([O-])c2ccccc2N1Cc1cccc(F)c1 ZINC000057352254 402094206 /nfs/dbraw/zinc/09/42/06/402094206.db2.gz RICYKJVAEMIARC-UHFFFAOYSA-N -1 0 305.330 2.358 50 0 DEAARM CCCCOc1cc(=O)n(-c2ccc(C)cc2)nc1C(=O)[O-] ZINC000096511662 402097935 /nfs/dbraw/zinc/09/79/35/402097935.db2.gz DPFDUEONOXZXSV-UHFFFAOYSA-N -1 0 302.330 2.418 50 0 DEAARM CCc1nnc(NC(=O)c2cc(F)c(F)c([O-])c2F)s1 ZINC000097080081 402104652 /nfs/dbraw/zinc/10/46/52/402104652.db2.gz KDTMBWZVTDAQEP-UHFFFAOYSA-N -1 0 303.265 2.476 50 0 DEAARM CC(C)c1nnc(CNC(=O)c2ccc([O-])c(Cl)c2)n1C ZINC000097114691 402109227 /nfs/dbraw/zinc/10/92/27/402109227.db2.gz FHDUOLKPHTXEOM-UHFFFAOYSA-N -1 0 308.769 2.228 50 0 DEAARM Cc1ccc(C2(CNC(=O)CCCC(=O)[O-])CCOCC2)cc1 ZINC000096182503 402065282 /nfs/dbraw/zinc/06/52/82/402065282.db2.gz XCPVUARVFLLTID-UHFFFAOYSA-N -1 0 319.401 2.414 50 0 DEAARM C[C@]1(CNC(=O)c2nn(-c3ccccc3F)cc2[O-])CCCO1 ZINC000153113936 402127531 /nfs/dbraw/zinc/12/75/31/402127531.db2.gz BDHGNXWLUXHJPO-MRXNPFEDSA-N -1 0 319.336 2.016 50 0 DEAARM O=c1c2[n-][nH]n(Cc3ccc(F)cc3)c=2c(=O)n1-c1ccccc1 ZINC000101417241 402144773 /nfs/dbraw/zinc/14/47/73/402144773.db2.gz HHHFRPXNRGDFQJ-LSDHHAIUSA-N -1 0 324.315 2.319 50 0 DEAARM Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2)o1 ZINC000066814555 402142222 /nfs/dbraw/zinc/14/22/22/402142222.db2.gz CXRSDENODMVCBP-UHFFFAOYSA-N -1 0 304.331 2.174 50 0 DEAARM O=C([O-])C1=Nc2ncnn2[C@@H](c2cccc(Br)c2)C1 ZINC000100891296 402142831 /nfs/dbraw/zinc/14/28/31/402142831.db2.gz RIGSIDMVERGWQY-SNVBAGLBSA-N -1 0 321.134 2.024 50 0 DEAARM COc1cccc(-c2cc3[n-]c(=S)n(N)c(=O)c3s2)c1 ZINC000103672614 402193218 /nfs/dbraw/zinc/19/32/18/402193218.db2.gz VTIBGLYLQREESJ-UHFFFAOYSA-N -1 0 305.384 2.136 50 0 DEAARM CCc1c[nH]nc1C1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000067588643 402163622 /nfs/dbraw/zinc/16/36/22/402163622.db2.gz AYLGCGBEYZCLRG-UHFFFAOYSA-N -1 0 300.362 2.449 50 0 DEAARM CCCN(C[C@H]1CCCCO1)C(=O)c1ccc2n[nH]nc2c1 ZINC000106810889 402216250 /nfs/dbraw/zinc/21/62/50/402216250.db2.gz YPWIHQQGURKMRI-CYBMUJFWSA-N -1 0 302.378 2.379 50 0 DEAARM Cc1cc(C(=O)[N-]c2nnc(COc3ccccc3)o2)no1 ZINC000070719412 402263574 /nfs/dbraw/zinc/26/35/74/402263574.db2.gz CMACETHCWIALNA-UHFFFAOYSA-N -1 0 300.274 2.197 50 0 DEAARM O=S(=O)([N-]c1ccc(Cl)cn1)c1c[nH]c2ncccc12 ZINC000069674728 402238224 /nfs/dbraw/zinc/23/82/24/402238224.db2.gz JYBJFHWIYYSXFP-UHFFFAOYSA-N -1 0 308.750 2.412 50 0 DEAARM Cc1c(Cl)cccc1C(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000219566951 402299192 /nfs/dbraw/zinc/29/91/92/402299192.db2.gz AQJGGZMFKOPRKU-UHFFFAOYSA-N -1 0 311.765 2.260 50 0 DEAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237306730 402403440 /nfs/dbraw/zinc/40/34/40/402403440.db2.gz FHCVQKTZKMNPLK-LSDHHAIUSA-N -1 0 303.358 2.122 50 0 DEAARM O=C([O-])[C@@H]1CCN(Cc2ccc(Br)c(F)c2)C1 ZINC000161957353 402405058 /nfs/dbraw/zinc/40/50/58/402405058.db2.gz DOVXHDBKDPUADZ-SECBINFHSA-N -1 0 302.143 2.495 50 0 DEAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000237707353 402418204 /nfs/dbraw/zinc/41/82/04/402418204.db2.gz QROQAONDGPUQNF-UHFFFAOYSA-N -1 0 300.358 2.342 50 0 DEAARM O=C([O-])c1ccc(/C=C/C(=O)N(C[C@H]2CCOC2)C2CC2)cc1 ZINC000237945361 402427348 /nfs/dbraw/zinc/42/73/48/402427348.db2.gz JEGLWIACLLUPOQ-SMDADKPZSA-N -1 0 315.369 2.426 50 0 DEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1cccc(F)c1)C1CCOCC1 ZINC000238103370 402438008 /nfs/dbraw/zinc/43/80/08/402438008.db2.gz IZWOUYZPMGVLKC-HUUCEWRRSA-N -1 0 321.348 2.021 50 0 DEAARM Cc1noc2nc(C(C)C)cc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c12 ZINC000178269937 402478158 /nfs/dbraw/zinc/47/81/58/402478158.db2.gz WCBQRUTXBKHXGT-SNVBAGLBSA-N -1 0 317.345 2.201 50 0 DEAARM O=C1CCCc2cc(S(=O)(=O)[N-]c3cccnc3)ccc2N1 ZINC000170839401 402532072 /nfs/dbraw/zinc/53/20/72/402532072.db2.gz GYGYXEUBVAIMMG-UHFFFAOYSA-N -1 0 317.370 2.157 50 0 DEAARM C[C@H](Oc1cccc(F)c1)C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000261637976 402714941 /nfs/dbraw/zinc/71/49/41/402714941.db2.gz DPPMAGNINDKTAE-UOVKNHIHSA-N -1 0 321.348 2.305 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]C(=O)N[C@@H]2[C@@H]3CCCC[C@@H]32)cc1 ZINC000252694346 402660818 /nfs/dbraw/zinc/66/08/18/402660818.db2.gz JIRRNKIYARHKRO-BTTYYORXSA-N -1 0 308.403 2.172 50 0 DEAARM Cc1ccc(F)cc1S(=O)(=O)[N-]c1cnc2c(c1)COCC2 ZINC000253420138 402665419 /nfs/dbraw/zinc/66/54/19/402665419.db2.gz MJXOSHHWYXPWOT-UHFFFAOYSA-N -1 0 322.361 2.403 50 0 DEAARM Cc1nnc([C@H]2CCCN2Cc2nc(=O)c3sccc3[n-]2)[nH]1 ZINC000253536466 402668061 /nfs/dbraw/zinc/66/80/61/402668061.db2.gz GECZDQJCLMZRHB-SNVBAGLBSA-N -1 0 316.390 2.161 50 0 DEAARM COc1ccc([C@@H](NC(=O)c2ccc(C)n2C)C(=O)[O-])cc1F ZINC000263162059 402745904 /nfs/dbraw/zinc/74/59/04/402745904.db2.gz VNBXSKZIQWXWRK-CQSZACIVSA-N -1 0 320.320 2.037 50 0 DEAARM CCC[C@H](CNC(=O)c1cc(-c2ccc(C)o2)n[nH]1)C(=O)[O-] ZINC000263207118 402747696 /nfs/dbraw/zinc/74/76/96/402747696.db2.gz OKUMGJXHVSLWNL-SNVBAGLBSA-N -1 0 305.334 2.209 50 0 DEAARM CCC1(CC)[C@H](N(C)C(=O)c2cc(C(=O)[O-])ccn2)C[C@@H]1OC ZINC000263441868 402769274 /nfs/dbraw/zinc/76/92/74/402769274.db2.gz XGJXTGDWLHSTOE-KGLIPLIRSA-N -1 0 320.389 2.446 50 0 DEAARM COc1ccccc1CN(C(=O)NCCCC(=O)[O-])C1CC1 ZINC000263458392 402771179 /nfs/dbraw/zinc/77/11/79/402771179.db2.gz IAHNWUZLCNOQGV-UHFFFAOYSA-N -1 0 306.362 2.234 50 0 DEAARM CC(C)CN(CCC(=O)[O-])C(=O)c1cccc2c1OCCO2 ZINC000268945780 403121146 /nfs/dbraw/zinc/12/11/46/403121146.db2.gz MWZOGMVWUKSYDQ-UHFFFAOYSA-N -1 0 307.346 2.031 50 0 DEAARM Cc1occc1C(=O)Nc1nc2c(s1)C(=O)C[C@H](C(=O)[O-])C2 ZINC000299777794 403571955 /nfs/dbraw/zinc/57/19/55/403571955.db2.gz LSLFMCDQQOESSZ-SSDOTTSWSA-N -1 0 320.326 2.127 50 0 DEAARM CCC[C@@H](CC(=O)[O-])NC(=O)Cc1ccc2[nH]c(C)nc2c1 ZINC000426392818 405356839 /nfs/dbraw/zinc/35/68/39/405356839.db2.gz MYVPZJAMEXRGAE-LBPRGKRZSA-N -1 0 303.362 2.173 50 0 DEAARM CCCOC[C@@H]1CCN(C(=O)c2cc(OC)cc(C(=O)[O-])c2)C1 ZINC000426430624 405359662 /nfs/dbraw/zinc/35/96/62/405359662.db2.gz FGXIFZXDRAFDFF-GFCCVEGCSA-N -1 0 321.373 2.282 50 0 DEAARM COc1ccc2c(c1)nc(C)cc2C(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000426477174 405362523 /nfs/dbraw/zinc/36/25/23/405362523.db2.gz HHYOXUYJVJTPHG-NSHDSACASA-N -1 0 314.341 2.099 50 0 DEAARM Cc1nc(CN2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)cs1 ZINC000426707207 405374985 /nfs/dbraw/zinc/37/49/85/405374985.db2.gz MHBQBYLDYPSQLC-GFCCVEGCSA-N -1 0 320.418 2.112 50 0 DEAARM CCn1nc(C)c2[n-]c(=S)n(Cc3ccc(F)cc3)c(=O)c21 ZINC000575616720 406814324 /nfs/dbraw/zinc/81/43/24/406814324.db2.gz YLSKZUTYVPFZJO-UHFFFAOYSA-N -1 0 318.377 2.397 50 0 DEAARM CC(C)COc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)cn1 ZINC000647696574 407036811 /nfs/dbraw/zinc/03/68/11/407036811.db2.gz ORDXKVNPWDPBQC-NWDGAFQWSA-N -1 0 321.377 2.491 50 0 DEAARM CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)[C@H](C)C(=O)[O-] ZINC000570970806 292518659 /nfs/dbraw/zinc/51/86/59/292518659.db2.gz RWYWBSOFTRSKSC-LURJTMIESA-N -1 0 318.251 2.323 50 0 DEAARM Cc1nc(CC(=O)N2C[C@H](C(=O)[O-])c3ccccc32)cs1 ZINC000131946806 196212405 /nfs/dbraw/zinc/21/24/05/196212405.db2.gz OCRAXPTUUWHEAR-LBPRGKRZSA-N -1 0 302.355 2.209 50 0 DEAARM CC(C)Oc1ccccc1CC(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000136140314 196522555 /nfs/dbraw/zinc/52/25/55/196522555.db2.gz DPBFXZHSMNXNBD-AWEZNQCLSA-N -1 0 305.374 2.340 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1CC(=O)NCc1cccs1 ZINC000299745117 229384953 /nfs/dbraw/zinc/38/49/53/229384953.db2.gz WGPBCXGSVRCFEW-YUTCNCBUSA-N -1 0 322.430 2.082 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)c1cnccn1)c1ccccc1Cl ZINC000048346275 424832514 /nfs/dbraw/zinc/83/25/14/424832514.db2.gz OGNBARHGQVMGGX-LLVKDONJSA-N -1 0 305.721 2.076 50 0 DEAARM COC(=O)c1ccc(F)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000048383586 424832931 /nfs/dbraw/zinc/83/29/31/424832931.db2.gz XDPGXURONKARCL-GHMZBOCLSA-N -1 0 321.304 2.218 50 0 DEAARM CN(CCC(=O)NC1CC1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073591627 424842703 /nfs/dbraw/zinc/84/27/03/424842703.db2.gz GPSZGXDHBYXIQW-UHFFFAOYSA-N -1 0 319.386 2.231 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1ccc(F)cc1 ZINC000102819701 424848003 /nfs/dbraw/zinc/84/80/03/424848003.db2.gz FWMIWDYLUUNGJN-KBPBESRZSA-N -1 0 310.288 2.324 50 0 DEAARM C[C@@H]1CC[C@@H](C)N1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000119301293 424852501 /nfs/dbraw/zinc/85/25/01/424852501.db2.gz KMPONJSBLKTDHM-GHMZBOCLSA-N -1 0 317.414 2.085 50 0 DEAARM CC[C@@H](C)CS(=O)(=O)[N-]C(=O)[C@@H]1CSc2ccccc21 ZINC000118601182 424852641 /nfs/dbraw/zinc/85/26/41/424852641.db2.gz JSPFOAZNIKJCGE-ZYHUDNBSSA-N -1 0 313.444 2.368 50 0 DEAARM Cc1ccc(C2N=NC(=S)N2CC(=O)[N-]OCC(C)C)cc1 ZINC000123071904 424854909 /nfs/dbraw/zinc/85/49/09/424854909.db2.gz WCIUCJZHNVXZIK-UHFFFAOYSA-N -1 0 320.418 2.246 50 0 DEAARM Cc1scc(C(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1C ZINC000655596368 425608506 /nfs/dbraw/zinc/60/85/06/425608506.db2.gz DUBDYMIEAQIOJW-CYBMUJFWSA-N -1 0 304.371 2.186 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000142786 278200207 /nfs/dbraw/zinc/20/02/07/278200207.db2.gz HICVGWDOEAENSY-UONOGXRCSA-N -1 0 304.346 2.475 50 0 DEAARM COc1ccc2c(c1)CCN2C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180119430 295260079 /nfs/dbraw/zinc/26/00/79/295260079.db2.gz AZLHZNMSFNCLEA-CHWSQXEVSA-N -1 0 303.358 2.475 50 0 DEAARM Cc1ccc(C(=O)N2C=C([O-])c3ccccc3S2(=O)=O)cc1 ZINC000005274923 301495644 /nfs/dbraw/zinc/49/56/44/301495644.db2.gz RMIWWRIDAZKSLJ-UHFFFAOYSA-N -1 0 315.350 2.022 50 0 DEAARM Cc1cccnc1NC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100621303 302240945 /nfs/dbraw/zinc/24/09/45/302240945.db2.gz ZWYWJUUQCKNFTA-UHFFFAOYSA-N -1 0 321.336 2.219 50 0 DEAARM Cc1cnc(NC(=O)c2c([O-])c3ccccc3n(C)c2=O)s1 ZINC000100446730 302362593 /nfs/dbraw/zinc/36/25/93/302362593.db2.gz NFVLZWAGENKRDR-UHFFFAOYSA-N -1 0 315.354 2.261 50 0 in-vitro DEAARM O=C([O-])C1CCN(C(=O)CCOc2cccc(Cl)c2)CC1 ZINC000037433284 337360539 /nfs/dbraw/zinc/36/05/39/337360539.db2.gz LMSSKBCGBFVDFR-UHFFFAOYSA-N -1 0 311.765 2.432 50 0 DEAARM Cc1nc([N-]S(=O)(=O)c2cnn(C(C)C)c2)cc(C2CC2)n1 ZINC000097101509 337382315 /nfs/dbraw/zinc/38/23/15/337382315.db2.gz FGJBEGXCGRZCHE-UHFFFAOYSA-N -1 0 321.406 2.241 50 0 DEAARM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)[C@@H](O)Cc1ccccc1 ZINC000097237129 337382567 /nfs/dbraw/zinc/38/25/67/337382567.db2.gz OBFULDOECABDEG-BONVTDFDSA-N -1 0 321.323 2.392 50 0 DEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@H]1C1CCCCC1)C1CCOCC1 ZINC000299751143 534498199 /nfs/dbraw/zinc/49/81/99/534498199.db2.gz PRCQPURUGKLQEW-LSDHHAIUSA-N -1 0 309.406 2.295 50 0 DEAARM O=C([O-])CN(C(=O)C/C=C/c1cccc(F)c1)C1CCOCC1 ZINC000238095053 527603621 /nfs/dbraw/zinc/60/36/21/527603621.db2.gz WNFUNSGNRJCMTP-DUXPYHPUSA-N -1 0 321.348 2.321 50 0 DEAARM CCCCC(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-] ZINC000064588915 534955912 /nfs/dbraw/zinc/95/59/12/534955912.db2.gz RMUBDKZZHLDLGQ-UHFFFAOYSA-N -1 0 306.362 2.350 50 0 DEAARM O=C([O-])[C@]1(O)CCCN(Cc2cc(Cl)ccc2Cl)C1 ZINC000888097579 635541599 /nfs/dbraw/zinc/54/15/99/635541599.db2.gz STWBAOLXQIDGER-ZDUSSCGKSA-N -1 0 304.173 2.405 50 0 DEAARM O=C([O-])C1CCC(C(=O)Nc2ccc(-n3cncn3)cc2)CC1 ZINC000194388655 685065719 /nfs/dbraw/zinc/06/57/19/685065719.db2.gz OZVRWIRPKYDQQV-UHFFFAOYSA-N -1 0 314.345 2.097 50 0 DEAARM CC[C@H](CS(=O)(=O)[N-]c1nsc2ccccc21)OC ZINC000585129831 790325452 /nfs/dbraw/zinc/32/54/52/790325452.db2.gz YDGBFIJIPKPRCU-SECBINFHSA-N -1 0 300.405 2.463 50 0 DEAARM CCOc1cc(F)ccc1NC(=O)N1CCC[C@H]1c1nnn[n-]1 ZINC000952884041 792798701 /nfs/dbraw/zinc/79/87/01/792798701.db2.gz SEHFZYMONBKNIW-NSHDSACASA-N -1 0 320.328 2.107 50 0 DEAARM Cc1c(F)cccc1NC(=O)CN1CCCC[C@]1(C)C(=O)[O-] ZINC001529154960 1070889005 /nfs/dbraw/zinc/88/90/05/1070889005.db2.gz MFKGCNVOPFZWHR-MRXNPFEDSA-N -1 0 308.353 2.402 50 0 DEAARM COc1ccc(F)cc1[C@@H](C(=O)[O-])N1CCc2n[nH]c(C)c2C1 ZINC001529168437 1070898014 /nfs/dbraw/zinc/89/80/14/1070898014.db2.gz DGYZGUGOFDMJRY-HNNXBMFYSA-N -1 0 319.336 2.050 50 0 DEAARM CC(C)(C)OC(=O)N1C[C@H](C(=O)[O-])[C@@H](c2ccc(O)cc2)C1 ZINC000079036818 185147967 /nfs/dbraw/zinc/14/79/67/185147967.db2.gz YEQAEEHLROODEZ-OLZOCXBDSA-N -1 0 307.346 2.427 50 0 DEAARM CC1=NN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C(=O)[O-])cc2)CC1 ZINC000095424748 185361406 /nfs/dbraw/zinc/36/14/06/185361406.db2.gz XMCXUVLBQZHSRX-HUUCEWRRSA-N -1 0 315.373 2.256 50 0 DEAARM CCn1nc(C)c(C(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1C ZINC000095425548 185361699 /nfs/dbraw/zinc/36/16/99/185361699.db2.gz NKPHZIMDQUFSIR-AWEZNQCLSA-N -1 0 315.373 2.118 50 0 DEAARM Cc1ncc(CNC(=O)CCc2ccc(C(=O)[O-])cc2)s1 ZINC000097017678 185397723 /nfs/dbraw/zinc/39/77/23/185397723.db2.gz OBKZGCRIPAZLET-UHFFFAOYSA-N -1 0 304.371 2.399 50 0 DEAARM C[C@@H](CCC(=O)[O-])NC(=O)Cc1ccccc1Br ZINC000097039204 185401574 /nfs/dbraw/zinc/40/15/74/185401574.db2.gz ZGPAGHXXRGUAHE-VIFPVBQESA-N -1 0 314.179 2.361 50 0 DEAARM Cc1cccc(O[C@@H]2CCCC[C@@H]2NC(=O)c2cn[nH]n2)c1 ZINC000133597014 539508095 /nfs/dbraw/zinc/50/80/95/539508095.db2.gz OQJOJIMVSXJLJB-DZGCQCFKSA-N -1 0 300.362 2.233 50 0 DEAARM Cc1c(C(=O)NCCc2cccc(C(=O)[O-])c2)cnn1C(C)C ZINC000191176349 539699867 /nfs/dbraw/zinc/69/98/67/539699867.db2.gz PBKTVLWSMRKZBE-UHFFFAOYSA-N -1 0 315.373 2.443 50 0 DEAARM Cc1c(C(=O)[O-])cnn1-c1ccc(-c2nc(C3CC3)no2)cn1 ZINC000071289354 190953530 /nfs/dbraw/zinc/95/35/30/190953530.db2.gz ZQYPTLCQEPZEQG-UHFFFAOYSA-N -1 0 311.301 2.201 50 0 DEAARM COc1ncccc1C(=O)Nc1ccc(CCC(=O)[O-])cc1 ZINC000155925428 186123656 /nfs/dbraw/zinc/12/36/56/186123656.db2.gz VBNWDJVXKPSHHX-UHFFFAOYSA-N -1 0 300.314 2.360 50 0 DEAARM CC(C)n1cc(NC(=O)NCc2cccc(C(=O)[O-])c2)cn1 ZINC000315147952 539884109 /nfs/dbraw/zinc/88/41/09/539884109.db2.gz CNZUZUWLSKZCPZ-UHFFFAOYSA-N -1 0 302.334 2.484 50 0 DEAARM O=C([O-])C1(C(=O)N2CCc3cc(Br)ccc32)CC1 ZINC000118989342 304027732 /nfs/dbraw/zinc/02/77/32/304027732.db2.gz HYYJSNTXIGHPQE-UHFFFAOYSA-N -1 0 310.147 2.203 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](CC(=O)OCc1ccccc1)C(=O)[O-] ZINC000001708470 180890359 /nfs/dbraw/zinc/89/03/59/180890359.db2.gz SOHLZANWVLCPHK-GFCCVEGCSA-N -1 0 323.345 2.098 50 0 DEAARM O=C([O-])C1=Nc2nc(C(F)(F)F)nn2[C@@H](c2ccccc2)C1 ZINC000100434736 304036033 /nfs/dbraw/zinc/03/60/33/304036033.db2.gz VEYQZDJCPFKZKZ-SECBINFHSA-N -1 0 310.235 2.280 50 0 DEAARM Cc1ccc(O)c(NC(=O)c2nc(C)c(C)nc2C(=O)[O-])c1 ZINC000006282042 353996422 /nfs/dbraw/zinc/99/64/22/353996422.db2.gz UICCFEATOOWBNK-UHFFFAOYSA-N -1 0 301.302 2.058 50 0 DEAARM Cn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)[O-] ZINC000004130230 181077142 /nfs/dbraw/zinc/07/71/42/181077142.db2.gz CSGYLSSUDFQXJR-UHFFFAOYSA-N -1 0 312.782 2.257 50 0 DEAARM O=C([O-])Cn1nnc(-c2ccc(OCc3ccccc3)cc2)n1 ZINC000004342589 181100607 /nfs/dbraw/zinc/10/06/07/181100607.db2.gz RBOVUUFALDIUJI-UHFFFAOYSA-N -1 0 310.313 2.004 50 0 DEAARM CSc1cccc(NC(=O)[C@@H]2[C@H]3C=C[C@H](O3)[C@@H]2C(=O)[O-])c1 ZINC000004380961 181104119 /nfs/dbraw/zinc/10/41/19/181104119.db2.gz YFSIDMCOOIWPEQ-XQHKEYJVSA-N -1 0 305.355 2.001 50 0 DEAARM CCOC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000004611438 181129427 /nfs/dbraw/zinc/12/94/27/181129427.db2.gz ZQZLCDQFTKBVQQ-RYUDHWBXSA-N -1 0 317.341 2.469 50 0 DEAARM COC(=O)c1cccc(S(=O)(=O)[N-]c2cnn(C(C)C)c2)c1 ZINC000066585464 354722634 /nfs/dbraw/zinc/72/26/34/354722634.db2.gz NVQYZMYLLBURON-UHFFFAOYSA-N -1 0 323.374 2.051 50 0 DEAARM Cc1nc2c([N-]S(=O)(=O)c3cccc(C)c3)cccn2n1 ZINC000065283972 354681789 /nfs/dbraw/zinc/68/17/89/354681789.db2.gz XWDBMGKXHWFAOC-UHFFFAOYSA-N -1 0 302.359 2.147 50 0 DEAARM CC(C)(C)c1ccc(C(=O)C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000165383989 355975622 /nfs/dbraw/zinc/97/56/22/355975622.db2.gz AELAEPZKBURYSS-CYBMUJFWSA-N -1 0 317.385 2.490 50 0 DEAARM CC[C@H](Oc1ccccc1F)C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000237016422 202123079 /nfs/dbraw/zinc/12/30/79/202123079.db2.gz QMBZJIVMUHPAEM-BLLLJJGKSA-N -1 0 309.337 2.306 50 0 DEAARM COCc1ccccc1CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000237172506 202175304 /nfs/dbraw/zinc/17/53/04/202175304.db2.gz NDRFLEHXWZCYTE-CABCVRRESA-N -1 0 305.374 2.340 50 0 DEAARM CC(C)C(=O)N[C@@H](Cc1sccc1Br)C(=O)[O-] ZINC000585134566 357335917 /nfs/dbraw/zinc/33/59/17/357335917.db2.gz ZUGWVDPZLVGPKS-QMMMGPOBSA-N -1 0 320.208 2.279 50 0 DEAARM Cc1ccccc1CC(=O)NC(C)(C)c1cc(C(=O)[O-])on1 ZINC000585134336 357336425 /nfs/dbraw/zinc/33/64/25/357336425.db2.gz NVSIRHPVLJKZKT-UHFFFAOYSA-N -1 0 302.330 2.275 50 0 DEAARM COc1cccc([C@H]2C[C@H]2C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237329866 202233598 /nfs/dbraw/zinc/23/35/98/202233598.db2.gz FHCVQKTZKMNPLK-HUUCEWRRSA-N -1 0 303.358 2.122 50 0 DEAARM C[C@H](C(=O)N(CCC(=O)[O-])C1CCOCC1)c1ccccc1F ZINC000237401677 202254584 /nfs/dbraw/zinc/25/45/84/202254584.db2.gz GDNWUBSUMJVHMR-LBPRGKRZSA-N -1 0 323.364 2.412 50 0 DEAARM C[C@H](C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1)c1ccccc1F ZINC000237401974 202254848 /nfs/dbraw/zinc/25/48/48/202254848.db2.gz GBSUBJRZGOOMHG-STQMWFEESA-N -1 0 323.364 2.412 50 0 DEAARM C[C@@H]1CC[C@H](CCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])O1 ZINC000237386872 202251364 /nfs/dbraw/zinc/25/13/64/202251364.db2.gz TXZNYCBOKXQUNA-YUELXQCFSA-N -1 0 305.374 2.146 50 0 DEAARM O=S(=O)([N-]c1ncccn1)c1ccc(F)cc1C(F)(F)F ZINC000180693226 199198080 /nfs/dbraw/zinc/19/80/80/199198080.db2.gz RJWHHCRHIWZYNB-UHFFFAOYSA-N -1 0 321.255 2.435 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000238194711 304077465 /nfs/dbraw/zinc/07/74/65/304077465.db2.gz TVSJKASFCTUMFK-SECBINFHSA-N -1 0 317.263 2.021 50 0 DEAARM Cc1ccc2c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)c[nH]c2c1 ZINC000237870328 202376329 /nfs/dbraw/zinc/37/63/29/202376329.db2.gz AZRRMVWGNXZHDJ-GFCCVEGCSA-N -1 0 300.358 2.342 50 0 DEAARM Cc1ccc([C@@H]2C[C@@H]2C(=O)N(CC(=O)[O-])C2CCOCC2)s1 ZINC000237904597 202386540 /nfs/dbraw/zinc/38/65/40/202386540.db2.gz AUVFMVQBJUSUEB-OLZOCXBDSA-N -1 0 323.414 2.252 50 0 DEAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)CCc1nc(C2CC2)no1 ZINC000237924890 202393018 /nfs/dbraw/zinc/39/30/18/202393018.db2.gz MEZIFIRPCWEPNH-LBPRGKRZSA-N -1 0 321.377 2.126 50 0 DEAARM CCOc1cc2c(cc1OC)[C@H]([N-]C(=O)C(F)(F)F)CC2=O ZINC000006595642 181359327 /nfs/dbraw/zinc/35/93/27/181359327.db2.gz VOBBHULYUCVFAR-SECBINFHSA-N -1 0 317.263 2.400 50 0 DEAARM Cc1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)cc1C ZINC000006678631 181369518 /nfs/dbraw/zinc/36/95/18/181369518.db2.gz IIYKQWUSPGYPNK-UHFFFAOYSA-N -1 0 310.400 2.265 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(O)cc2)C[C@H]1c1ccccc1 ZINC000091644702 193084432 /nfs/dbraw/zinc/08/44/32/193084432.db2.gz LKLDIVMVHLKDCN-JKSUJKDBSA-N -1 0 311.337 2.333 50 0 DEAARM CCC[C@@H]1CN(C(=O)NCc2cccc(F)c2)C[C@H]1C(=O)[O-] ZINC000091656870 193085579 /nfs/dbraw/zinc/08/55/79/193085579.db2.gz WFHRUQOZSOMMIG-TZMCWYRMSA-N -1 0 308.353 2.468 50 0 DEAARM Cc1cc(N[C@H]2CCCCNC2=O)nc(-c2ccccc2[O-])n1 ZINC000091934007 193128570 /nfs/dbraw/zinc/12/85/70/193128570.db2.gz QHLYDMHCWIIVJM-ZDUSSCGKSA-N -1 0 312.373 2.238 50 0 DEAARM CCC[C@@]1(C(=O)[O-])CCCN(C(=O)CCCc2cn[nH]c2)C1 ZINC000092078290 193153481 /nfs/dbraw/zinc/15/34/81/193153481.db2.gz XVXYKOVPUORENE-MRXNPFEDSA-N -1 0 307.394 2.226 50 0 DEAARM O=C(N[C@@H](c1ccncc1)c1ccc(F)cc1)c1cc(=O)[n-]o1 ZINC000215810052 201472092 /nfs/dbraw/zinc/47/20/92/201472092.db2.gz RVGPCNAAWBQXMJ-OAHLLOKOSA-N -1 0 313.288 2.021 50 0 DEAARM Cn1ncc(C(F)(F)F)c1CNc1ncccc1C(=O)[O-] ZINC000629767062 367331922 /nfs/dbraw/zinc/33/19/22/367331922.db2.gz GKRWYMWLUMCCLO-UHFFFAOYSA-N -1 0 300.240 2.144 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2C[C@H]2C2CCOCC2)c1 ZINC000630134379 367490818 /nfs/dbraw/zinc/49/08/18/367490818.db2.gz WDDCQJHJYPIJTB-LSDHHAIUSA-N -1 0 303.358 2.064 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc3c2OCO3)[C@H]2CCC[C@@H]21 ZINC000630270399 367565798 /nfs/dbraw/zinc/56/57/98/367565798.db2.gz ALUNAHDMJHYDTK-WZRBSPASSA-N -1 0 317.341 2.131 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NC1(c2ccc(Br)cc2)CC1 ZINC000268884392 304139532 /nfs/dbraw/zinc/13/95/32/304139532.db2.gz FVDNMQWJVHYDLF-WDEREUQCSA-N -1 0 324.174 2.275 50 0 DEAARM Cc1ccccc1[C@H](CC(=O)[O-])NC(=O)[C@H](C)n1cccn1 ZINC000262071501 203190177 /nfs/dbraw/zinc/19/01/77/203190177.db2.gz ITFVYGICYFOYHL-JSGCOSHPSA-N -1 0 301.346 2.085 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1n[nH]c2ccccc21 ZINC000262555248 304149746 /nfs/dbraw/zinc/14/97/46/304149746.db2.gz UBARREDLXINGEU-HONMWMINSA-N -1 0 313.357 2.421 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CCc1cscn1 ZINC000262493972 203308394 /nfs/dbraw/zinc/30/83/94/203308394.db2.gz ZVGAGOSQHTVKRW-WXHSDQCUSA-N -1 0 308.403 2.320 50 0 DEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1cc(C2CC2)no1 ZINC000263185871 203443570 /nfs/dbraw/zinc/44/35/70/203443570.db2.gz SBECDZHGENCFAI-HNNXBMFYSA-N -1 0 312.325 2.376 50 0 DEAARM Cn1ccc(C(=O)N2CCC[C@@H](c3ccc(C(=O)[O-])cc3)C2)n1 ZINC000095362882 193431632 /nfs/dbraw/zinc/43/16/32/193431632.db2.gz WNXMNLWYRRNMSY-CQSZACIVSA-N -1 0 313.357 2.138 50 0 DEAARM CCOc1ccc2nc(N3C[C@@H](C(=O)[O-])CC3=O)sc2c1 ZINC000007881346 181504174 /nfs/dbraw/zinc/50/41/74/181504174.db2.gz LAPDESDHGIPRKI-QMMMGPOBSA-N -1 0 306.343 2.133 50 0 DEAARM CCc1nnc2n1N=C(c1ccc(C)cc1)[C@@H](CC(=O)[O-])S2 ZINC000008391868 181553896 /nfs/dbraw/zinc/55/38/96/181553896.db2.gz ZJANTAFRLXEJTG-LLVKDONJSA-N -1 0 316.386 2.350 50 0 DEAARM CCOc1ccc(/C=C/C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000013171048 181836579 /nfs/dbraw/zinc/83/65/79/181836579.db2.gz WNVXNXUVWSOBHV-RNVIBTMRSA-N -1 0 303.358 2.422 50 0 DEAARM CS(=O)(=O)[N-]c1nc2ccc(NC(=O)C3CC3)cc2s1 ZINC000015861949 182022671 /nfs/dbraw/zinc/02/26/71/182022671.db2.gz SVIBMUFAYVCDBW-UHFFFAOYSA-N -1 0 311.388 2.016 50 0 DEAARM CCc1cc2c([n-]c(=S)n(Cc3cnn(C)c3)c2=O)s1 ZINC000017031376 182069280 /nfs/dbraw/zinc/06/92/80/182069280.db2.gz LMFALAFLGZAWDF-UHFFFAOYSA-N -1 0 306.416 2.465 50 0 DEAARM O=C([O-])CSCC(=O)Nc1cccc(Br)c1 ZINC000019391371 182120837 /nfs/dbraw/zinc/12/08/37/182120837.db2.gz QTVXJTMTMLWPBV-UHFFFAOYSA-N -1 0 304.165 2.205 50 0 DEAARM Cc1nn(Cc2c(C)onc2C(=O)[O-])c(C)c1Br ZINC000020315334 182205930 /nfs/dbraw/zinc/20/59/30/182205930.db2.gz WBKJPWVSEIDKLB-UHFFFAOYSA-N -1 0 314.139 2.305 50 0 DEAARM COc1cc(OC)cc(C(=O)Nc2nc(C(=O)[O-])cs2)c1 ZINC000020332355 182208410 /nfs/dbraw/zinc/20/84/10/182208410.db2.gz MGPSBWCSNOXZTR-UHFFFAOYSA-N -1 0 308.315 2.111 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2COc3ccc(Cl)cc3C2)C1 ZINC000013260800 304183153 /nfs/dbraw/zinc/18/31/53/304183153.db2.gz KOPVNRDADVWBHT-CMPLNLGQSA-N -1 0 323.776 2.214 50 0 DEAARM COc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc(Cl)c1OC ZINC000033456108 182713545 /nfs/dbraw/zinc/71/35/45/182713545.db2.gz VEZHYBUWFGPLPE-NSHDSACASA-N -1 0 315.753 2.196 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)CCSC(=O)c1ccccc1 ZINC000039299285 183016694 /nfs/dbraw/zinc/01/66/94/183016694.db2.gz UFRQAPVJZNCAQI-LBPRGKRZSA-N -1 0 307.371 2.026 50 0 DEAARM C[C@H]1CC[C@@H](CCC(=O)NCc2cccc(OCC(=O)[O-])c2)O1 ZINC000268899077 207066017 /nfs/dbraw/zinc/06/60/17/207066017.db2.gz BUXYNPYUGJYDKP-JSGCOSHPSA-N -1 0 321.373 2.114 50 0 DEAARM CCOc1ccc([C@H](C)NC(=O)[C@H]2C[C@H]2C(=O)[O-])cc1OCC ZINC000268928518 207094901 /nfs/dbraw/zinc/09/49/01/207094901.db2.gz XEWXJXPSPNUSAA-WCFLWFBJSA-N -1 0 321.373 2.382 50 0 DEAARM C/C(=C\C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1Cl ZINC000269027587 207177870 /nfs/dbraw/zinc/17/78/70/207177870.db2.gz LAUAWXHOVJYILI-OBIHZWKSSA-N -1 0 323.776 2.445 50 0 DEAARM CCOc1ccc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1OCC ZINC000269049640 207197661 /nfs/dbraw/zinc/19/76/61/207197661.db2.gz UVFVGTOKLAONRG-QGZVFWFLSA-N -1 0 321.373 2.421 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000062118896 184206974 /nfs/dbraw/zinc/20/69/74/184206974.db2.gz PRRDRKRODDUVQX-MRVPVSSYSA-N -1 0 302.157 2.469 50 0 DEAARM O=C(NC(C1CC1)C1CC1)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000063809529 184289253 /nfs/dbraw/zinc/28/92/53/184289253.db2.gz HWBITMFQKZUZHB-UHFFFAOYSA-N -1 0 315.398 2.130 50 0 DEAARM CC(C)(NC(=O)c1cc(-c2ccccc2Cl)n[nH]1)C(=O)[O-] ZINC000065430197 184343647 /nfs/dbraw/zinc/34/36/47/184343647.db2.gz SNLNKPWRMCMDPA-UHFFFAOYSA-N -1 0 307.737 2.323 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCc3c(F)cc(F)cc3C2)o1 ZINC000238002256 304235728 /nfs/dbraw/zinc/23/57/28/304235728.db2.gz SADPSIRAHKZRQL-UHFFFAOYSA-N -1 0 307.252 2.455 50 0 DEAARM CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc(C(=O)[O-])cc1 ZINC000493208765 285023429 /nfs/dbraw/zinc/02/34/29/285023429.db2.gz QNQHZZFBEWINSJ-XMELGKRDSA-N -1 0 303.358 2.426 50 0 DEAARM Cc1nn(C)cc1C[N@@H+](C)Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC000216491409 257273771 /nfs/dbraw/zinc/27/37/71/257273771.db2.gz NAQSBAMRFIURMK-CYBMUJFWSA-N -1 0 317.389 2.212 50 0 DEAARM CSCC[C@@H](NC(=O)c1ccc2ccn(C)c2c1)C(=O)[O-] ZINC000334161799 257262420 /nfs/dbraw/zinc/26/24/20/257262420.db2.gz IRHLQQBQJGAJBH-GFCCVEGCSA-N -1 0 306.387 2.114 50 0 DEAARM Cc1cc2nc(CN3CC[C@@H]3c3ccc(F)cc3)cc(=O)n2[n-]1 ZINC000334159590 257262618 /nfs/dbraw/zinc/26/26/18/257262618.db2.gz GVVSDLSDBSDMJE-OAHLLOKOSA-N -1 0 312.348 2.417 50 0 DEAARM CN1Cc2cc([N-]S(=O)(=O)c3ccoc3)ccc2NC1=O ZINC000350866624 404483082 /nfs/dbraw/zinc/48/30/82/404483082.db2.gz DHTRTZVOYLTOPN-UHFFFAOYSA-N -1 0 307.331 2.058 50 0 DEAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)[C@@H]2Cc3ccccc32)C1 ZINC000261641333 145213203 /nfs/dbraw/zinc/21/32/03/145213203.db2.gz ACNNHGRPTQPDDR-BXUZGUMPSA-N -1 0 313.275 2.192 50 0 DEAARM COc1ccccc1N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000003242733 401722984 /nfs/dbraw/zinc/72/29/84/401722984.db2.gz WHFXZFJUARIBKP-UHFFFAOYSA-N -1 0 321.354 2.219 50 0 DEAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(F)c(F)c1F ZINC000006975289 401735183 /nfs/dbraw/zinc/73/51/83/401735183.db2.gz HKPANZBJDDJSJI-UHFFFAOYSA-N -1 0 319.308 2.255 50 0 DEAARM CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000074941263 401745715 /nfs/dbraw/zinc/74/57/15/401745715.db2.gz NOFZILQIQHEJAT-ZDUSSCGKSA-N -1 0 306.362 2.266 50 0 DEAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])cc1 ZINC000000039235 401687475 /nfs/dbraw/zinc/68/74/75/401687475.db2.gz DTTKDYYHVNHFSJ-CYBMUJFWSA-N -1 0 311.403 2.222 50 0 DEAARM CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000000068538 401687713 /nfs/dbraw/zinc/68/77/13/401687713.db2.gz XTRZAZSWJSBAOV-UHFFFAOYSA-N -1 0 311.388 2.292 50 0 DEAARM Cc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NCc1ccco1 ZINC000000103743 401688136 /nfs/dbraw/zinc/68/81/36/401688136.db2.gz LESPOYQDPNGZPG-VOTSOKGWSA-N -1 0 321.354 2.164 50 0 DEAARM CC(C)n1cc2cc([N-]S(=O)(=O)c3cnn(C)c3)ccc2n1 ZINC000071914658 401696761 /nfs/dbraw/zinc/69/67/61/401696761.db2.gz RSYZNJVCYUYZMI-UHFFFAOYSA-N -1 0 319.390 2.152 50 0 DEAARM O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)N1CCN(c2ccccc2)CC1 ZINC000000433147 401698374 /nfs/dbraw/zinc/69/83/74/401698374.db2.gz HNQQDXNTKOUXOE-HZPDHXFCSA-N -1 0 314.385 2.002 50 0 DEAARM COC(=O)c1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-] ZINC000000473742 401699103 /nfs/dbraw/zinc/69/91/03/401699103.db2.gz RBYLPSAYGSXZIO-WDEREUQCSA-N -1 0 303.314 2.079 50 0 DEAARM CC1=NN(C(=O)c2cccc(C)c2O)[C@](O)(c2cccnc2)C1 ZINC000000507333 401699499 /nfs/dbraw/zinc/69/94/99/401699499.db2.gz FBOBZMOEANUMBP-QGZVFWFLSA-N -1 0 311.341 2.163 50 0 DEAARM Cn1ncc(Br)c1C(=O)Nc1ccccc1C(=O)[O-] ZINC000000853019 401703593 /nfs/dbraw/zinc/70/35/93/401703593.db2.gz FPJRAVGWEMKZST-UHFFFAOYSA-N -1 0 324.134 2.133 50 0 DEAARM COc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc(OC)c1 ZINC000001389954 401706696 /nfs/dbraw/zinc/70/66/96/401706696.db2.gz GGARAUDIGSZPSJ-KGLIPLIRSA-N -1 0 305.330 2.309 50 0 DEAARM Cc1noc2ncc([N-]S(=O)(=O)c3ccc(Cl)nc3)cc12 ZINC000072301068 401708217 /nfs/dbraw/zinc/70/82/17/401708217.db2.gz MMJUPZNMRXTBSD-UHFFFAOYSA-N -1 0 324.749 2.380 50 0 DEAARM COc1ccc(CNC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(OC)c1 ZINC000002422410 401713494 /nfs/dbraw/zinc/71/34/94/401713494.db2.gz WBYLOOZNRZVRGR-ZDUSSCGKSA-N -1 0 324.377 2.002 50 0 DEAARM O=C([O-])[C@@H]1CCCN1c1nc(C2CC2)cc(C(F)(F)F)n1 ZINC000002554472 401714659 /nfs/dbraw/zinc/71/46/59/401714659.db2.gz JRKYPQASRSOLIZ-VIFPVBQESA-N -1 0 301.268 2.426 50 0 DEAARM CCCC[S@](=N)(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000002583233 401715251 /nfs/dbraw/zinc/71/52/51/401715251.db2.gz IIJKAKPMCGGPSE-CWKPULSASA-N -1 0 322.427 2.201 50 0 DEAARM COc1cc(C(=O)[O-])ccc1OCC(=O)N[C@@H](C)c1ccco1 ZINC000013420313 401799895 /nfs/dbraw/zinc/79/98/95/401799895.db2.gz IUADAOHDYFRDAV-JTQLQIEISA-N -1 0 319.313 2.243 50 0 DEAARM CCCN(CC1CC1)C(=O)COc1ccc(C(=O)[O-])cc1OC ZINC000013419800 401799912 /nfs/dbraw/zinc/79/99/12/401799912.db2.gz WLONZBOMLBBOFG-UHFFFAOYSA-N -1 0 321.373 2.421 50 0 DEAARM CSCC[C@H](NC(=O)N1CCCc2ccccc21)C(=O)[O-] ZINC000013723350 401803942 /nfs/dbraw/zinc/80/39/42/401803942.db2.gz NZFCNGDSJMGYPE-LBPRGKRZSA-N -1 0 308.403 2.355 50 0 DEAARM O=C(OCc1nc(=O)c2sccc2[n-]1)c1ccc(Cl)nc1 ZINC000008231107 401750124 /nfs/dbraw/zinc/75/01/24/401750124.db2.gz FKGATNROAKKHDT-UHFFFAOYSA-N -1 0 321.745 2.390 50 0 DEAARM O=C([N-]N1C(=O)c2ccccc2C1=O)c1ccc(Cl)s1 ZINC000008344000 401751851 /nfs/dbraw/zinc/75/18/51/401751851.db2.gz WNUNOOXGPZPJAC-UHFFFAOYSA-N -1 0 306.730 2.343 50 0 DEAARM CCOC(=O)c1ccccc1[N-]S(=O)(=O)c1c(C)noc1C ZINC000009116278 401759421 /nfs/dbraw/zinc/75/94/21/401759421.db2.gz UCYVHWPJAXYBGT-UHFFFAOYSA-N -1 0 324.358 2.269 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccc(F)cc1 ZINC000009112137 401759556 /nfs/dbraw/zinc/75/95/56/401759556.db2.gz FTUGXDHRYBEKRU-UHFFFAOYSA-N -1 0 317.345 2.396 50 0 DEAARM CCCc1cc(=O)n2nc(NC(=O)c3ccc(C)cc3)[n-]c2n1 ZINC000009202982 401760068 /nfs/dbraw/zinc/76/00/68/401760068.db2.gz HJYDTVWWDBKEKL-UHFFFAOYSA-N -1 0 311.345 2.343 50 0 DEAARM C[C@H](CCc1ccccc1F)C(=O)[N-]S(=O)(=O)CC1CC1 ZINC000076090395 401781791 /nfs/dbraw/zinc/78/17/91/401781791.db2.gz DKLPLMXKIGTCEG-LLVKDONJSA-N -1 0 313.394 2.250 50 0 DEAARM CCCCS(=O)(=O)[N-]c1ncn(Cc2ccc(F)cc2)n1 ZINC000014250868 401810588 /nfs/dbraw/zinc/81/05/88/401810588.db2.gz PWUCEQGADRFZGC-UHFFFAOYSA-N -1 0 312.370 2.007 50 0 DEAARM O=C([O-])[C@H](c1c[nH]c2ccccc21)[NH+]1CCC(C(=O)[O-])CC1 ZINC000012391112 401784716 /nfs/dbraw/zinc/78/47/16/401784716.db2.gz OCGVAZKVCDXTDU-AWEZNQCLSA-N -1 0 302.330 2.090 50 0 DEAARM Cc1cc(=O)n(CCC(=O)[O-])c2nn(Cc3ccccc3)cc21 ZINC000012398102 401784827 /nfs/dbraw/zinc/78/48/27/401784827.db2.gz AOUUHCGLVLMLNX-UHFFFAOYSA-N -1 0 311.341 2.029 50 0 DEAARM COc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c(C(=O)[O-])c1 ZINC000013086777 401796046 /nfs/dbraw/zinc/79/60/46/401796046.db2.gz OYWBGAIUQJVUFA-FZMZJTMJSA-N -1 0 321.373 2.467 50 0 DEAARM CCS(=O)(=O)c1ccc([O-])c(NC(=O)[C@@H]2CC=CCC2)c1 ZINC000028813318 401853450 /nfs/dbraw/zinc/85/34/50/401853450.db2.gz CQHYXCBGKCPKAI-LLVKDONJSA-N -1 0 309.387 2.481 50 0 DEAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)ccc1F ZINC000078556703 401856215 /nfs/dbraw/zinc/85/62/15/401856215.db2.gz CZWWDSCBHWZFMT-UHFFFAOYSA-N -1 0 324.333 2.198 50 0 DEAARM CCOc1cc(Cl)c(/C=C2/NC(=O)[N-]C2=O)cc1OCC ZINC000015224784 401816220 /nfs/dbraw/zinc/81/62/20/401816220.db2.gz JIADKIGOGCWLQQ-BJMVGYQFSA-N -1 0 310.737 2.318 50 0 DEAARM Cc1nn2c([n-]1)nc(C)c(NC(=O)Nc1ccc(F)cc1)c2=O ZINC000033274108 401890355 /nfs/dbraw/zinc/89/03/55/401890355.db2.gz QAMIKXHDZMUEIO-UHFFFAOYSA-N -1 0 316.296 2.230 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)c1cc(Cl)ccn1 ZINC000036819524 401907855 /nfs/dbraw/zinc/90/78/55/401907855.db2.gz YMKHAGMPMNIMOG-CYBMUJFWSA-N -1 0 304.733 2.161 50 0 DEAARM CCC[C@H](CC(=O)[O-])NC(=O)COc1ccc(F)cc1F ZINC000135712210 401951314 /nfs/dbraw/zinc/95/13/14/401951314.db2.gz DKICJAGQJSEWNS-SNVBAGLBSA-N -1 0 301.289 2.103 50 0 DEAARM COCc1cccc([C@H](C(=O)[O-])N(C)Cc2cccnc2)c1 ZINC000095368629 402029363 /nfs/dbraw/zinc/02/93/63/402029363.db2.gz MYBUYNNISRYFTP-MRXNPFEDSA-N -1 0 300.358 2.486 50 0 DEAARM O=C(c1csc2ccccc12)N1CCC[C@H](c2nnn[n-]2)C1 ZINC000095976970 402040472 /nfs/dbraw/zinc/04/04/72/402040472.db2.gz URPVYJLJQJBQFD-JTQLQIEISA-N -1 0 313.386 2.434 50 0 DEAARM O=C([O-])C1=CSc2[nH]c(=O)sc2[C@H]1c1ccccc1O ZINC000096318907 402077223 /nfs/dbraw/zinc/07/72/23/402077223.db2.gz IYJBMDHHLVWQLM-VIFPVBQESA-N -1 0 307.352 2.348 50 0 DEAARM O=C([O-])[C@H]1CC[C@H](NC(=O)CCn2ccc3ccccc32)C1 ZINC000097039283 402101589 /nfs/dbraw/zinc/10/15/89/402101589.db2.gz KELRSURPNUVYQS-KBPBESRZSA-N -1 0 300.358 2.401 50 0 DEAARM CCc1ccc(S(=O)(=O)N(C)[C@H](C)C2CC2)cc1C(=O)[O-] ZINC000152943730 402118338 /nfs/dbraw/zinc/11/83/38/402118338.db2.gz RUGSUHWJZHHORV-SNVBAGLBSA-N -1 0 311.403 2.366 50 0 DEAARM CSCC[C@H](O)c1nc(C)nn1-c1ccccc1C(=O)[O-] ZINC000096180565 402064579 /nfs/dbraw/zinc/06/45/79/402064579.db2.gz XRJAQMMJNNYCFQ-LBPRGKRZSA-N -1 0 307.375 2.060 50 0 DEAARM CCn1c2ccccc2c([O-])c(C(=O)NCc2ccncc2)c1=O ZINC000100512575 402141784 /nfs/dbraw/zinc/14/17/84/402141784.db2.gz SGTSXLQZYGFSSO-UHFFFAOYSA-N -1 0 323.352 2.052 50 0 DEAARM CCC(CC)(CNC(=O)c1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1 ZINC000069843830 402246871 /nfs/dbraw/zinc/24/68/71/402246871.db2.gz NSQVTLARMPBVQA-UHFFFAOYSA-N -1 0 322.796 2.239 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccc2oc(=O)ccc2c1 ZINC000071280441 402271710 /nfs/dbraw/zinc/27/17/10/402271710.db2.gz OKAMFMVXEIERJY-OLZOCXBDSA-N -1 0 301.298 2.088 50 0 DEAARM CC[C@H](C)N(CC(=O)[O-])C(=O)Cc1cc(F)c(F)cc1F ZINC000225480033 402319180 /nfs/dbraw/zinc/31/91/80/402319180.db2.gz MWJPIOPRFLPVRT-QMMMGPOBSA-N -1 0 303.280 2.358 50 0 DEAARM Cc1ccc(C(C)C)c(OCC(=O)N2CC[C@@H](C(=O)[O-])C2)c1 ZINC000236726032 402378205 /nfs/dbraw/zinc/37/82/05/402378205.db2.gz SSTFHTSFPCHMQY-CYBMUJFWSA-N -1 0 305.374 2.430 50 0 DEAARM CC(C)c1nn(C)c(Cl)c1C(=O)N1CCC(C(=O)[O-])CC1 ZINC000236834164 402384486 /nfs/dbraw/zinc/38/44/86/402384486.db2.gz ODDONLOHVHHFGS-UHFFFAOYSA-N -1 0 313.785 2.134 50 0 DEAARM O=C([O-])c1ccc2c(c1)N(S(=O)(=O)c1ccccc1F)CC2 ZINC000169676835 402501727 /nfs/dbraw/zinc/50/17/27/402501727.db2.gz YXUXPURYIXFTOM-UHFFFAOYSA-N -1 0 321.329 2.275 50 0 DEAARM Cc1occc1S([O-])=CC(=O)N1CCc2ccccc2C1 ZINC000189653790 402550402 /nfs/dbraw/zinc/55/04/02/402550402.db2.gz WYWXNYWGXPJYIY-OAQYLSRUSA-N -1 0 303.383 2.281 50 0 DEAARM NC(=O)c1cc2ccccc2oc1=Nc1ccccc1C(=O)[O-] ZINC000252670393 402660809 /nfs/dbraw/zinc/66/08/09/402660809.db2.gz KLMYPPLYKZLSNN-UHFFFAOYSA-N -1 0 308.293 2.462 50 0 DEAARM Cc1cc(C)c(C(=O)[O-])cc1NC(=O)CCc1ccnn1C ZINC000262812523 402733254 /nfs/dbraw/zinc/73/32/54/402733254.db2.gz PGTBNHCKCMOBID-UHFFFAOYSA-N -1 0 301.346 2.306 50 0 DEAARM CS[C@@H](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262932797 402737032 /nfs/dbraw/zinc/73/70/32/402737032.db2.gz BMQCUZWTDPAJJS-IINYFYTJSA-N -1 0 320.414 2.421 50 0 DEAARM C[C@@H]1C[C@@H](C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)CCO1 ZINC000262998368 402740288 /nfs/dbraw/zinc/74/02/88/402740288.db2.gz QXAVMZYZGVKNEW-YPMHNXCESA-N -1 0 309.337 2.054 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CC[C@@](C)(C(=O)[O-])C2)cc1F ZINC000316960693 404032583 /nfs/dbraw/zinc/03/25/83/404032583.db2.gz ZRTHTJFTSWPZGO-DQOPKJQZSA-N -1 0 307.321 2.171 50 0 DEAARM COc1ccc(C2(C(=O)N3CC=C[C@@H]3C(=O)[O-])CCCC2)cc1 ZINC000426527099 405366556 /nfs/dbraw/zinc/36/65/56/405366556.db2.gz XCCGSUMYIDGJRZ-OAHLLOKOSA-N -1 0 315.369 2.359 50 0 DEAARM CCOc1ncccc1[C@@H](C(=O)[O-])N(C)Cc1c(C)n[nH]c1C ZINC000095371361 286588639 /nfs/dbraw/zinc/58/86/39/286588639.db2.gz OWWOOLCWWRLRTL-AWEZNQCLSA-N -1 0 318.377 2.078 50 0 DEAARM O=C([O-])[C@H](CNC(=O)[C@H]1CCc2cccnc21)Cc1ccccc1 ZINC000585139491 405875071 /nfs/dbraw/zinc/87/50/71/405875071.db2.gz BEYBTUDOXXFJCQ-HOTGVXAUSA-N -1 0 324.380 2.171 50 0 DEAARM COc1ccc(CCCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000136115878 196521061 /nfs/dbraw/zinc/52/10/61/196521061.db2.gz RVTVCBSCUNTYRF-AWEZNQCLSA-N -1 0 305.374 2.341 50 0 DEAARM O=C([O-])c1ccc(CCNC(=O)[C@@H]2Cc3ccccc3O2)cc1 ZINC000238090314 225213092 /nfs/dbraw/zinc/21/30/92/225213092.db2.gz USCCNYNUUZVIOA-INIZCTEOSA-N -1 0 311.337 2.047 50 0 DEAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1nc(C)cs1 ZINC000006416211 418413210 /nfs/dbraw/zinc/41/32/10/418413210.db2.gz BKTLZYHGISEGNW-UHFFFAOYSA-N -1 0 318.401 2.100 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)NCCc1ccc(C(F)(F)F)cc1 ZINC000299747815 229392003 /nfs/dbraw/zinc/39/20/03/229392003.db2.gz FDPPKIJUACMTSI-WDEREUQCSA-N -1 0 301.264 2.085 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CCC1CCOCC1 ZINC000299752623 229396530 /nfs/dbraw/zinc/39/65/30/229396530.db2.gz UUJRAQPEENIXSA-ZNMIVQPWSA-N -1 0 309.406 2.438 50 0 DEAARM CCCNC(=O)Cc1c(C)[n-]n(-c2nc(C)c(C)s2)c1=O ZINC000101831474 424847513 /nfs/dbraw/zinc/84/75/13/424847513.db2.gz HLTVCXKRZMESAD-UHFFFAOYSA-N -1 0 308.407 2.028 50 0 DEAARM C[C@H]1CC[C@H](C)N1C(=O)Cn1c(=O)c2ccccc2[n-]c1=S ZINC000119301182 424852528 /nfs/dbraw/zinc/85/25/28/424852528.db2.gz KMPONJSBLKTDHM-QWRGUYRKSA-N -1 0 317.414 2.085 50 0 DEAARM C[C@](NC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F)(C(=O)[O-])C1CC1 ZINC000108167522 424851119 /nfs/dbraw/zinc/85/11/19/424851119.db2.gz AUVSCOCFNSJTFA-LYOVBCGYSA-N -1 0 309.312 2.438 50 0 DEAARM CC1(C)CNC(=O)c2nc(-c3nnc(-c4ccccc4)o3)[n-]c2C1 ZINC000065384892 276137896 /nfs/dbraw/zinc/13/78/96/276137896.db2.gz ANVQHLTXVXKRMV-UHFFFAOYSA-N -1 0 323.356 2.439 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000000256531 278200165 /nfs/dbraw/zinc/20/01/65/278200165.db2.gz GVLBWQBONYHZKK-KBPBESRZSA-N -1 0 302.330 2.251 50 0 DEAARM CC(C)(C)C(=O)N[C@@H]1CCOC[C@H]1Oc1ccc(C(=O)[O-])cc1 ZINC000222862505 278293030 /nfs/dbraw/zinc/29/30/30/278293030.db2.gz BYVIBWFQMLMKDA-ZIAGYGMSSA-N -1 0 321.373 2.083 50 0 DEAARM CC(C)c1cc(C(=O)NC2(C(=O)[O-])CCC(C)CC2)nn1C ZINC000097036137 280576633 /nfs/dbraw/zinc/57/66/33/280576633.db2.gz TZOPIUCKXRBBOK-UHFFFAOYSA-N -1 0 307.394 2.307 50 0 DEAARM CC(C)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000003881821 280608153 /nfs/dbraw/zinc/60/81/53/280608153.db2.gz GSGREUANUSWPFE-ATNYBXOESA-N -1 0 313.353 2.181 50 0 biogenic DEAARM CC(C)c1ncc(Cl)c(C(=O)N2CCCC[C@@H]2C(=O)[O-])n1 ZINC000050363953 280677525 /nfs/dbraw/zinc/67/75/25/280677525.db2.gz CFZZFUJWSLZTQD-SNVBAGLBSA-N -1 0 311.769 2.333 50 0 DEAARM COc1cc2c(cc1OC)CN(c1ncccc1C(=O)[O-])CC2 ZINC000013090999 295039980 /nfs/dbraw/zinc/03/99/80/295039980.db2.gz FSIFOHYVMHCJSS-UHFFFAOYSA-N -1 0 314.341 2.360 50 0 DEAARM COc1ccc(OC)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000004854652 295176985 /nfs/dbraw/zinc/17/69/85/295176985.db2.gz OMMCLSTYKQPZHQ-NEPJUHHUSA-N -1 0 305.330 2.309 50 0 DEAARM C[C@H](C(=O)[O-])N1C(=O)COc2ccc(-c3cscn3)cc21 ZINC000031869824 298215945 /nfs/dbraw/zinc/21/59/45/298215945.db2.gz REIMVXJUMAWMGN-MRVPVSSYSA-N -1 0 304.327 2.009 50 0 DEAARM C[C@H](CN(C)C(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)[O-] ZINC000299363850 298496924 /nfs/dbraw/zinc/49/69/24/298496924.db2.gz OFYOZRXVRBCQKO-IUODEOHRSA-N -1 0 321.373 2.037 50 0 DEAARM Cc1ccccc1[C@H](C(=O)NC1(C(=O)[O-])CCCC1)N(C)C ZINC000095504760 302170136 /nfs/dbraw/zinc/17/01/36/302170136.db2.gz WWYUJSNHRSSLIP-CQSZACIVSA-N -1 0 304.390 2.111 50 0 DEAARM Cc1ncsc1C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000021037751 302722725 /nfs/dbraw/zinc/72/27/25/302722725.db2.gz VPCGRKIDAMEPRX-GFCCVEGCSA-N -1 0 302.355 2.103 50 0 DEAARM C[C@H](NC(=O)c1cc(F)c([O-])c(F)c1)[C@H](O)Cc1ccccc1 ZINC000097237126 337382550 /nfs/dbraw/zinc/38/25/50/337382550.db2.gz OBFULDOECABDEG-ZUZCIYMTSA-N -1 0 321.323 2.392 50 0 DEAARM Cc1cc(C)n(CCN(C)C(=O)N[C@H](CC(=O)[O-])CC(C)C)n1 ZINC000426502881 534107503 /nfs/dbraw/zinc/10/75/03/534107503.db2.gz JQJYVVZCCCTHMP-AWEZNQCLSA-N -1 0 324.425 2.031 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000299745395 534538731 /nfs/dbraw/zinc/53/87/31/534538731.db2.gz YQTBEXVDWGUCDY-LBPRGKRZSA-N -1 0 311.293 2.244 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2Cc3cccc(F)c3O2)c1 ZINC000299744763 534549279 /nfs/dbraw/zinc/54/92/79/534549279.db2.gz PTPKTEUZGHTQFH-AWEZNQCLSA-N -1 0 315.300 2.144 50 0 DEAARM CC(C)CN(CCC(=O)[O-])C(=O)c1ccc2c(c1)OCCO2 ZINC000299365918 527937196 /nfs/dbraw/zinc/93/71/96/527937196.db2.gz OQKSESIBIGIYEF-UHFFFAOYSA-N -1 0 307.346 2.031 50 0 DEAARM CCOc1cc(C(=O)N2CC[C@@](C)(C(=O)[O-])C2)ccc1OC ZINC000299740573 528218337 /nfs/dbraw/zinc/21/83/37/528218337.db2.gz ADNNBDSTCITEKY-MRXNPFEDSA-N -1 0 307.346 2.031 50 0 DEAARM CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000299746976 563938797 /nfs/dbraw/zinc/93/87/97/563938797.db2.gz BRDGMNGNRFVVSM-JYJNAYRXSA-N -1 0 317.385 2.226 50 0 DEAARM Cc1cc(C)n(CC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)[O-])n1 ZINC000237515342 601391805 /nfs/dbraw/zinc/39/18/05/601391805.db2.gz MOTPSAPWSCZVHQ-XJKSGUPXSA-N -1 0 315.373 2.078 50 0 DEAARM Cc1ccc(C(=O)[N-]S(=O)(=O)[C@H](C)C(F)(F)F)c(F)c1 ZINC000888099799 635543038 /nfs/dbraw/zinc/54/30/38/635543038.db2.gz YARBNYAXJFKZPM-SSDOTTSWSA-N -1 0 313.272 2.145 50 0 DEAARM NC(=O)c1cc(-n2cc(-c3cccc(C(=O)[O-])c3)cn2)cs1 ZINC000067981686 648396355 /nfs/dbraw/zinc/39/63/55/648396355.db2.gz UHKRTBLIRJHJDK-UHFFFAOYSA-N -1 0 313.338 2.398 50 0 DEAARM O=C([O-])[C@@H]1CC(=O)N(c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000065490301 683923452 /nfs/dbraw/zinc/92/34/52/683923452.db2.gz OYPRABKWRHXWAZ-GFCCVEGCSA-N -1 0 321.336 2.463 50 0 DEAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1cccc(-c2cnco2)c1 ZINC000863981655 686601636 /nfs/dbraw/zinc/60/16/36/686601636.db2.gz DTBSHONRQDOZQP-ZDUSSCGKSA-N -1 0 300.314 2.421 50 0 DEAARM Nc1c(C(=O)[O-])ccnc1-c1cccc(CO[C@@H]2CCOC2)c1 ZINC000585091978 778823874 /nfs/dbraw/zinc/82/38/74/778823874.db2.gz XACXXYGBPNJLDG-CYBMUJFWSA-N -1 0 314.341 2.335 50 0 DEAARM CCCC[C@@H]1CN(c2cncc(C(=O)[O-])n2)C[C@H](C2CC2)O1 ZINC001529107062 1070860699 /nfs/dbraw/zinc/86/06/99/1070860699.db2.gz VZAFADIMKCTYHF-TZMCWYRMSA-N -1 0 305.378 2.349 50 0 DEAARM O=C([O-])c1cccc(CNCc2nncn2C2CCCCC2)n1 ZINC001506396396 1061937025 /nfs/dbraw/zinc/93/70/25/1061937025.db2.gz FJIFONHUXCARSA-UHFFFAOYSA-N -1 0 315.377 2.166 50 0 DEAARM Cc1ccc(C(=O)[O-])c(NC[C@@H]2CC(=O)N(C3CCCC3)C2)n1 ZINC001506399059 1061937937 /nfs/dbraw/zinc/93/79/37/1061937937.db2.gz AAMYCKXIEYTVFW-LBPRGKRZSA-N -1 0 317.389 2.291 50 0 DEAARM CC[C@H]1C=CCN1S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001506425761 1061969542 /nfs/dbraw/zinc/96/95/42/1061969542.db2.gz GFPLQNIVHQANBE-JTQLQIEISA-N -1 0 315.778 2.377 50 0 DEAARM COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)[O-])cn1 ZINC000079036800 185148087 /nfs/dbraw/zinc/14/80/87/185148087.db2.gz BUTPQNIUYIYVTA-NEPJUHHUSA-N -1 0 322.361 2.125 50 0 DEAARM CCC[C@H](C)c1cc([N-]S(=O)(=O)c2cnn(CC)c2)n[nH]1 ZINC000079106582 185158769 /nfs/dbraw/zinc/15/87/69/185158769.db2.gz GFQGPUFYJQPOPB-JTQLQIEISA-N -1 0 311.411 2.331 50 0 DEAARM CCC[C@H](NC(=O)[C@@H]1SCCc2ccccc21)c1nnn[n-]1 ZINC000089949567 185271111 /nfs/dbraw/zinc/27/11/11/185271111.db2.gz BISGVGCSZAPHLR-QWHCGFSZSA-N -1 0 317.418 2.188 50 0 DEAARM O=C([O-])CCCNC(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000095424149 185361341 /nfs/dbraw/zinc/36/13/41/185361341.db2.gz UDOWTZLZSUHKMK-UHFFFAOYSA-N -1 0 309.337 2.347 50 0 DEAARM O=C([O-])[C@H]1CC[C@@H](C(=O)Nc2cccc(NC(=O)C3CC3)c2)C1 ZINC000095424290 185361417 /nfs/dbraw/zinc/36/14/17/185361417.db2.gz ZIPKLFYRHNGIGO-NEPJUHHUSA-N -1 0 316.357 2.475 50 0 DEAARM COc1ccc(OC)c(CCC(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000095424220 185361449 /nfs/dbraw/zinc/36/14/49/185361449.db2.gz ASVMJTVUXXIIOI-CQSZACIVSA-N -1 0 321.373 2.102 50 0 DEAARM Cc1c(C(=O)N(CC(=O)[O-])CC2CC2)cnn1-c1ccccc1 ZINC000097017893 185397812 /nfs/dbraw/zinc/39/78/12/185397812.db2.gz KAMHXCHLCIHKLZ-UHFFFAOYSA-N -1 0 313.357 2.118 50 0 DEAARM Cn1nncc1/C=C(/CC(=O)[O-])c1nc2ccccc2s1 ZINC000170023565 197764714 /nfs/dbraw/zinc/76/47/14/197764714.db2.gz ZWBCNTNJLWVDMU-TWGQIWQCSA-N -1 0 300.343 2.440 50 0 DEAARM CC(C)Cn1cnc(S(=O)(=O)[N-]c2cccc3n[nH]cc32)c1 ZINC000174939732 539622145 /nfs/dbraw/zinc/62/21/45/539622145.db2.gz WDQGWOSUUFVEDX-UHFFFAOYSA-N -1 0 319.390 2.216 50 0 DEAARM CCCN(C)S(=O)(=O)Nc1cc(C)c(C)cc1C(=O)[O-] ZINC000279887444 215207648 /nfs/dbraw/zinc/20/76/48/215207648.db2.gz HVRAHKYGDOQUQK-UHFFFAOYSA-N -1 0 300.380 2.000 50 0 DEAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1coc(-c2ccccc2)n1 ZINC000141358873 186030213 /nfs/dbraw/zinc/03/02/13/186030213.db2.gz ACTLJEZHXAUXIN-VXGBXAGGSA-N -1 0 300.314 2.325 50 0 DEAARM CC(=O)c1cccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)c1 ZINC000072277016 191098256 /nfs/dbraw/zinc/09/82/56/191098256.db2.gz RSHNWYBCTXOQEX-UHFFFAOYSA-N -1 0 319.357 2.172 50 0 DEAARM CC(C)CN1C(=O)C[C@H](Sc2ccccc2C(=O)[O-])C1=O ZINC000001059346 180844076 /nfs/dbraw/zinc/84/40/76/180844076.db2.gz BFYPNOCSODCUBO-LBPRGKRZSA-N -1 0 307.371 2.260 50 0 DEAARM COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CC[C@@H](C)C2 ZINC000001792771 180896528 /nfs/dbraw/zinc/89/65/28/180896528.db2.gz RSALICGIYNRVAK-HQZHTGGTSA-N -1 0 323.370 2.239 50 0 DEAARM CC(C)[C@H](NC(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000003887299 181053088 /nfs/dbraw/zinc/05/30/88/181053088.db2.gz OKXWQUBUQJAUNF-JTQLQIEISA-N -1 0 300.152 2.288 50 0 DEAARM O=S(=O)([N-]c1cccn2ncnc12)c1ccc2c(c1)CCC2 ZINC000065284069 354681925 /nfs/dbraw/zinc/68/19/25/354681925.db2.gz OSUQXPIKIWPVJR-UHFFFAOYSA-N -1 0 314.370 2.019 50 0 DEAARM CCc1ccc(O)c(C(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 ZINC000182110992 356109283 /nfs/dbraw/zinc/10/92/83/356109283.db2.gz YSIYDBMROOMAEU-CYBMUJFWSA-N -1 0 300.362 2.440 50 0 DEAARM COc1ccc(CCCC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237199869 202187063 /nfs/dbraw/zinc/18/70/63/202187063.db2.gz AQYUZSJSBAFRJZ-KRWDZBQOSA-N -1 0 305.374 2.341 50 0 DEAARM O=C([O-])CC[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc2C1 ZINC000299743516 304062318 /nfs/dbraw/zinc/06/23/18/304062318.db2.gz NXTYDXPYADCQPT-LSDHHAIUSA-N -1 0 317.385 2.484 50 0 DEAARM COc1nsc(CN=c2nc(C)[n-]s2)c1Br ZINC000585132783 357335990 /nfs/dbraw/zinc/33/59/90/357335990.db2.gz VKFKRFOVPXXSFD-UHFFFAOYSA-N -1 0 321.225 2.108 50 0 DEAARM COc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000237303346 202225081 /nfs/dbraw/zinc/22/50/81/202225081.db2.gz FHCVQKTZKMNPLK-GJZGRUSLSA-N -1 0 303.358 2.122 50 0 DEAARM COc1ccc2nc(C(=O)N3CCC[C@@H](C(=O)[O-])C3)ccc2c1 ZINC000237300162 202222919 /nfs/dbraw/zinc/22/29/19/202222919.db2.gz ITERMHXMQUOAFL-GFCCVEGCSA-N -1 0 314.341 2.180 50 0 DEAARM CS[C@@H](C)C(=O)N1CCC(C(=O)[O-])(c2ccccc2)CC1 ZINC000237403646 202256703 /nfs/dbraw/zinc/25/67/03/202256703.db2.gz SAMBALIHTSOZMZ-LBPRGKRZSA-N -1 0 307.415 2.383 50 0 DEAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CCCO[C@H]1C)c1ccccc1 ZINC000668272751 540632638 /nfs/dbraw/zinc/63/26/38/540632638.db2.gz LVFUSCYCFQCRRN-NZBPQXDJSA-N -1 0 305.374 2.380 50 0 DEAARM Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000237591012 202295097 /nfs/dbraw/zinc/29/50/97/202295097.db2.gz BJNVQKSEZCJCIA-ZDUSSCGKSA-N -1 0 308.378 2.470 50 0 DEAARM Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)oc2c1c(C)ccc2C ZINC000237662738 202322201 /nfs/dbraw/zinc/32/22/01/202322201.db2.gz MUDFSYIRFNTJTB-GFCCVEGCSA-N -1 0 317.341 2.284 50 0 DEAARM COCCc1nc(C2CCC2)n(-c2cccc(C(=O)[O-])c2)n1 ZINC000670453849 540935490 /nfs/dbraw/zinc/93/54/90/540935490.db2.gz SEMICGYHCOOXEA-UHFFFAOYSA-N -1 0 301.346 2.422 50 0 DEAARM Cc1cc2c(cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])OCO2 ZINC000006668244 181368108 /nfs/dbraw/zinc/36/81/08/181368108.db2.gz JZOMYLSRHYPZRD-QWRGUYRKSA-N -1 0 303.314 2.329 50 0 DEAARM Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C(=O)[O-])cc2)C1=O ZINC000006831770 181396608 /nfs/dbraw/zinc/39/66/08/181396608.db2.gz ZMLTZLICTWBQFS-CQSZACIVSA-N -1 0 324.336 2.437 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2cnc3c(c2)CCCC3)C[C@H]1C1CC1 ZINC000092045639 193147146 /nfs/dbraw/zinc/14/71/46/193147146.db2.gz NJIVUHYZSJPDSQ-LSDHHAIUSA-N -1 0 314.385 2.143 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2cnn(CC3CC3)c2)c2ccccc21 ZINC000630170782 367513761 /nfs/dbraw/zinc/51/37/61/367513761.db2.gz OHEPFCCEJVXMLG-CQSZACIVSA-N -1 0 311.341 2.122 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000630285329 367573238 /nfs/dbraw/zinc/57/32/38/367573238.db2.gz ZPMFHFYEWUWMBA-NYTXWWLZSA-N -1 0 315.369 2.092 50 0 DEAARM Cc1nc(CC(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)cs1 ZINC000221721223 201591246 /nfs/dbraw/zinc/59/12/46/201591246.db2.gz MWIOHYMFKBUNTE-WXHSDQCUSA-N -1 0 308.403 2.238 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1noc2c1CCCC2 ZINC000252551370 304147847 /nfs/dbraw/zinc/14/78/47/304147847.db2.gz UDFSDXUHOFKILU-WXHSDQCUSA-N -1 0 318.373 2.411 50 0 DEAARM O=C([O-])c1ccc(F)c(NC(=O)CN2CCCCCCC2=O)c1 ZINC000262090424 203195363 /nfs/dbraw/zinc/19/53/63/203195363.db2.gz FUBXXBZBUFYPBD-UHFFFAOYSA-N -1 0 322.336 2.255 50 0 DEAARM Cc1nc(C(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c(C)s1 ZINC000263039222 203431341 /nfs/dbraw/zinc/43/13/41/203431341.db2.gz PDAFGQRZHJVJMV-NSHDSACASA-N -1 0 322.308 2.239 50 0 DEAARM Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC000263180650 203443523 /nfs/dbraw/zinc/44/35/23/203443523.db2.gz WXJMNIGXMCPRPO-VIFPVBQESA-N -1 0 318.329 2.246 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 ZINC000094598389 193382800 /nfs/dbraw/zinc/38/28/00/193382800.db2.gz RTUCVKUNDLTHJM-SSDOTTSWSA-N -1 0 305.227 2.391 50 0 DEAARM C[C@@H](CNC(=O)CCc1ccc(Br)cc1)C(=O)[O-] ZINC000095989504 193480572 /nfs/dbraw/zinc/48/05/72/193480572.db2.gz SPUVZEBTVOJQFV-VIFPVBQESA-N -1 0 314.179 2.219 50 0 DEAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N=c1nc(C2(C)CC2)[n-]s1 ZINC000529703621 284243792 /nfs/dbraw/zinc/24/37/92/284243792.db2.gz FUKWCOYQXUQSLL-MRVPVSSYSA-N -1 0 319.434 2.104 50 0 DEAARM O=C([O-])CCc1nc2nc(C3CC3)cc(C(F)(F)F)n2n1 ZINC000012399057 181757565 /nfs/dbraw/zinc/75/75/65/181757565.db2.gz AYGJDEUYYKTLQC-UHFFFAOYSA-N -1 0 300.240 2.038 50 0 DEAARM CN(C1CCCCC1)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000013305496 181842315 /nfs/dbraw/zinc/84/23/15/181842315.db2.gz BPGCKGBCJFMLPM-UHFFFAOYSA-N -1 0 303.405 2.400 50 0 DEAARM Cn1nccc1S(=O)(=O)[N-]c1cccc2c1OC(C)(C)CC2 ZINC000530148051 284350924 /nfs/dbraw/zinc/35/09/24/284350924.db2.gz WWTIVCXNRJGINT-UHFFFAOYSA-N -1 0 321.402 2.325 50 0 DEAARM Cc1cccc(CS(=O)(=O)[N-]c2ccccc2C(N)=O)c1 ZINC000016579846 182050160 /nfs/dbraw/zinc/05/01/60/182050160.db2.gz FIZOJXFZMGKCHW-UHFFFAOYSA-N -1 0 304.371 2.036 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)[C@@H](C(=O)[O-])C1 ZINC000016696970 182057955 /nfs/dbraw/zinc/05/79/55/182057955.db2.gz VLRKCGUUHDUPDO-CQSZACIVSA-N -1 0 320.389 2.193 50 0 DEAARM CC(C)c1cc(C(N)=O)c(NC(=O)C[C@H](C)CC(=O)[O-])s1 ZINC000017032478 182069895 /nfs/dbraw/zinc/06/98/95/182069895.db2.gz LJDMVHOVIBGAPL-QMMMGPOBSA-N -1 0 312.391 2.410 50 0 DEAARM COc1ccc(OC)c([C@H](C)NC(=O)C[C@@H](C)CC(=O)[O-])c1 ZINC000017031953 182069991 /nfs/dbraw/zinc/06/99/91/182069991.db2.gz SCFRHQVACYLNRB-MNOVXSKESA-N -1 0 309.362 2.382 50 0 DEAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)Nc1ccc2c(c1)OCO2 ZINC000017054199 182072126 /nfs/dbraw/zinc/07/21/26/182072126.db2.gz JLVDRAKYWORNRI-OEZHTOCISA-N -1 0 317.341 2.491 50 0 DEAARM COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(O)c1 ZINC000017320550 182082995 /nfs/dbraw/zinc/08/29/95/182082995.db2.gz OMEVCGRBZHOORR-UHFFFAOYSA-N -1 0 301.298 2.060 50 0 DEAARM CC(C)(CC(=O)[O-])CC(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000029011110 182548862 /nfs/dbraw/zinc/54/88/62/182548862.db2.gz FVVDUDVGEHLAIL-UHFFFAOYSA-N -1 0 318.373 2.408 50 0 DEAARM Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H](C)C(=O)[O-] ZINC000033453503 182712378 /nfs/dbraw/zinc/71/23/78/182712378.db2.gz LARBWXKOICWGSS-MRVPVSSYSA-N -1 0 308.334 2.461 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)[C@H]2COc3ccccc3C2)c2ccccc21 ZINC000177479004 304197657 /nfs/dbraw/zinc/19/76/57/304197657.db2.gz KQMZSOAZBNECDA-HIFRSBDPSA-N -1 0 323.348 2.453 50 0 DEAARM CN(c1ccccc1F)S(=O)(=O)c1cc(C(=O)[O-])cs1 ZINC000050005025 183767556 /nfs/dbraw/zinc/76/75/56/183767556.db2.gz FRDUIUHJEZBTBU-UHFFFAOYSA-N -1 0 315.347 2.411 50 0 DEAARM COCCS(=O)(=O)[N-]c1nc2c(s1)CCc1ccccc1-2 ZINC000110122715 194311579 /nfs/dbraw/zinc/31/15/79/194311579.db2.gz KYYPQVJIOPRENJ-UHFFFAOYSA-N -1 0 324.427 2.297 50 0 DEAARM O=C([O-])c1ccc(C(=O)N2CCOc3ccccc3C2)s1 ZINC000058302108 184102866 /nfs/dbraw/zinc/10/28/66/184102866.db2.gz HNQSLDHTPNQLCO-UHFFFAOYSA-N -1 0 303.339 2.481 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000062117491 184206578 /nfs/dbraw/zinc/20/65/78/184206578.db2.gz SMTCXSRKPVIJAY-ZETCQYMHSA-N -1 0 316.126 2.135 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)Cc2c(Cl)cccc2Cl)C1 ZINC000062118895 184206920 /nfs/dbraw/zinc/20/69/20/184206920.db2.gz PRRDRKRODDUVQX-QMMMGPOBSA-N -1 0 302.157 2.469 50 0 DEAARM [O-]c1c(Cl)nc(CO)c(Cl)c1I ZINC000066054350 184385593 /nfs/dbraw/zinc/38/55/93/184385593.db2.gz FUULUSWRAABWGU-UHFFFAOYSA-N -1 0 319.913 2.191 50 0 DEAARM O=C([O-])c1ccc(CN2CCN(C3CCCCC3)C(=O)C2)cc1 ZINC000065429715 304241951 /nfs/dbraw/zinc/24/19/51/304241951.db2.gz BXAFAZNXXZELQY-UHFFFAOYSA-N -1 0 316.401 2.362 50 0 DEAARM C[C@@H](NC(=O)CN1CCC[C@H]1C(=O)[O-])c1ccccc1Cl ZINC000237595657 533074539 /nfs/dbraw/zinc/07/45/39/533074539.db2.gz ODFFOKWWENGGHO-MFKMUULPSA-N -1 0 310.781 2.066 50 0 DEAARM O=C([O-])c1nc(C(F)(F)F)ccc1I ZINC000263623414 304283118 /nfs/dbraw/zinc/28/31/18/304283118.db2.gz HGVMQVHRXARRSU-UHFFFAOYSA-N -1 0 317.004 2.403 50 0 DEAARM COc1ccc(CNC(=O)CC[C@H]2CCCCO2)cc1C(=O)[O-] ZINC000299750243 533578696 /nfs/dbraw/zinc/57/86/96/533578696.db2.gz NAMUOJZBQJOGMJ-CYBMUJFWSA-N -1 0 321.373 2.359 50 0 DEAARM COC[C@@](C)(CC(=O)[O-])NC(=O)CSc1ccccc1C ZINC000262096970 145261389 /nfs/dbraw/zinc/26/13/89/145261389.db2.gz GKRHLJYRFXPCMI-OAHLLOKOSA-N -1 0 311.403 2.083 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)C2(Cc3ccccc3F)CC2)C1 ZINC000263034605 145319523 /nfs/dbraw/zinc/31/95/23/145319523.db2.gz CZIOHWUJEFFMKE-CYBMUJFWSA-N -1 0 305.349 2.472 50 0 DEAARM C[C@@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(N2CCCC2)ccn1 ZINC000263053011 145321292 /nfs/dbraw/zinc/32/12/92/145321292.db2.gz ACYNQGHCKCTMFT-CHWSQXEVSA-N -1 0 317.389 2.007 50 0 DEAARM C[C@@H]1CN(C(=O)c2cnc3ccc(F)cc3c2)C[C@H]1C(=O)[O-] ZINC000263190629 145334474 /nfs/dbraw/zinc/33/44/74/145334474.db2.gz LEYKAJHOXZHHEI-NOZJJQNGSA-N -1 0 302.305 2.167 50 0 DEAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1cc(F)c(F)cc1F ZINC000263226891 145338571 /nfs/dbraw/zinc/33/85/71/145338571.db2.gz QDAGMKATCSIUHX-DTWKUNHWSA-N -1 0 315.291 2.358 50 0 DEAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)c1n[nH]c2ccccc21 ZINC000324346924 145381702 /nfs/dbraw/zinc/38/17/02/145381702.db2.gz FICRUELFQVTRBQ-INIZCTEOSA-N -1 0 321.336 2.387 50 0 DEAARM O=c1c([O-])cc(-c2ccccc2)nn1-c1ncnc2ccccc21 ZINC000006875160 401733351 /nfs/dbraw/zinc/73/33/51/401733351.db2.gz ZJCRYPAMRMRWSS-UHFFFAOYSA-N -1 0 316.320 2.340 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(F)cc2F)c1 ZINC000007405050 401739695 /nfs/dbraw/zinc/73/96/95/401739695.db2.gz YZFAEWLOZLNOGT-UHFFFAOYSA-N -1 0 313.281 2.464 50 0 DEAARM Cc1nc2ccccc2c(=O)n1[N-]C(=O)c1cccnc1Cl ZINC000000182477 401689532 /nfs/dbraw/zinc/68/95/32/401689532.db2.gz PDJMXAFHYAPOGK-UHFFFAOYSA-N -1 0 314.732 2.137 50 0 DEAARM O=C([O-])[C@@H](CCc1nc2ccccc2[nH]1)NC(=O)c1ccccc1 ZINC000000189078 401689694 /nfs/dbraw/zinc/68/96/94/401689694.db2.gz XBZZZJHUNILSRI-OAHLLOKOSA-N -1 0 323.352 2.379 50 0 DEAARM COc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1OC ZINC000000258631 401692441 /nfs/dbraw/zinc/69/24/41/401692441.db2.gz NKQAYSNQAQHUNL-UHFFFAOYSA-N -1 0 315.325 2.332 50 0 biogenic DEAARM O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)sc1Cl ZINC000000480763 401699478 /nfs/dbraw/zinc/69/94/78/401699478.db2.gz OXOSIQHHHWVUEL-UHFFFAOYSA-N -1 0 309.796 2.274 50 0 DEAARM COc1cccc(NC(=O)COc2ccccc2C(=O)[O-])c1 ZINC000000528549 401699994 /nfs/dbraw/zinc/69/99/94/401699994.db2.gz RUMNKWWJCSYFDJ-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM O=C(NCCc1ccccc1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000013126925 401797298 /nfs/dbraw/zinc/79/72/98/401797298.db2.gz CRJBVUCXSLZFQS-UHFFFAOYSA-N -1 0 308.337 2.206 50 0 DEAARM COc1ccc(C(=O)NCc2ccc(OC)c(C(=O)[O-])c2)cc1 ZINC000013392818 401799335 /nfs/dbraw/zinc/79/93/35/401799335.db2.gz CBAAHFSLLSJVQE-UHFFFAOYSA-N -1 0 315.325 2.332 50 0 DEAARM COc1ccc(CCC(=O)Nc2nc(CC(=O)[O-])cs2)cc1 ZINC000013944142 401805224 /nfs/dbraw/zinc/80/52/24/401805224.db2.gz KJVUETNOKAGTFN-UHFFFAOYSA-N -1 0 320.370 2.350 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@@H]1CC=CCC1 ZINC000014112411 401807072 /nfs/dbraw/zinc/80/70/72/401807072.db2.gz HCWMGTUPFQDCGZ-SNVBAGLBSA-N -1 0 303.387 2.299 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)c1ccccc1F ZINC000014162948 401808293 /nfs/dbraw/zinc/80/82/93/401808293.db2.gz DCPLFBIKFJSCSP-UHFFFAOYSA-N -1 0 317.345 2.396 50 0 DEAARM Cc1nc2sccc2c(=O)n1[N-]C(=O)c1ccccc1F ZINC000011176843 401773730 /nfs/dbraw/zinc/77/37/30/401773730.db2.gz FNQFTMWKEWJYGS-UHFFFAOYSA-N -1 0 303.318 2.289 50 0 DEAARM O=c1nc(CNc2ccc3c(c2)OCCO3)[n-]c2ccsc21 ZINC000012554503 401788425 /nfs/dbraw/zinc/78/84/25/401788425.db2.gz OUUMTUNGPPMNTF-UHFFFAOYSA-N -1 0 315.354 2.368 50 0 DEAARM CCCc1cc(=O)oc2cc(C)cc(OCc3nnn[n-]3)c12 ZINC000013115597 401796383 /nfs/dbraw/zinc/79/63/83/401796383.db2.gz SLTJVFXKOMINPC-UHFFFAOYSA-N -1 0 300.318 2.146 50 0 DEAARM COc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C(=O)[O-] ZINC000016622242 401819220 /nfs/dbraw/zinc/81/92/20/401819220.db2.gz RUIRMYXVRWJMTM-UHFFFAOYSA-N -1 0 321.354 2.219 50 0 DEAARM O=C([O-])c1cc2c([nH]c1=O)C[C@@H](c1ccc(F)cc1)CC2=O ZINC000020800677 401825080 /nfs/dbraw/zinc/82/50/80/401825080.db2.gz XMIIQDRKCDIZNA-SECBINFHSA-N -1 0 301.273 2.125 50 0 DEAARM Cc1c(Br)cccc1C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000088440170 401932740 /nfs/dbraw/zinc/93/27/40/401932740.db2.gz AXIVQUJKUNKCNK-LLVKDONJSA-N -1 0 312.163 2.447 50 0 DEAARM Cc1ccc(-c2nnc(CCC(=O)NCC(C)C)c(=O)[n-]2)cc1 ZINC000034768753 401894096 /nfs/dbraw/zinc/89/40/96/401894096.db2.gz LOUOJIUBDBMAQF-UHFFFAOYSA-N -1 0 314.389 2.257 50 0 DEAARM CC(C)[C@H](NS(=O)(=O)c1cccc2ccccc21)C(=O)[O-] ZINC000035685900 401900468 /nfs/dbraw/zinc/90/04/68/401900468.db2.gz JCBOAIIOZIKMLM-AWEZNQCLSA-N -1 0 307.371 2.227 50 0 DEAARM CCC[C@H](NC(=O)c1cc2cc(OC)ccc2n1C)C(=O)[O-] ZINC000035686338 401900769 /nfs/dbraw/zinc/90/07/69/401900769.db2.gz NZMMBZCSUKCQSA-LBPRGKRZSA-N -1 0 304.346 2.170 50 0 DEAARM COc1cc([N-]S(=O)(=O)c2ccc3ccccc3c2)ncn1 ZINC000086071790 401920676 /nfs/dbraw/zinc/92/06/76/401920676.db2.gz IYSPWEVJEWLKOH-UHFFFAOYSA-N -1 0 315.354 2.439 50 0 DEAARM CC(C)(C)OC(=O)[C@H]1N[C@H](C(=O)[O-])Cc2c3ccccc3[nH]c21 ZINC000039351852 401923864 /nfs/dbraw/zinc/92/38/64/401923864.db2.gz AVCAAQIORRKXMZ-JSGCOSHPSA-N -1 0 316.357 2.150 50 0 DEAARM COc1ccccc1C1(C(=O)N2CCC[C@@H](C(=O)[O-])C2)CC1 ZINC000089473512 401948571 /nfs/dbraw/zinc/94/85/71/401948571.db2.gz SHBYZDVELANBGH-GFCCVEGCSA-N -1 0 303.358 2.050 50 0 DEAARM Cn1cc(CC(=O)N(CCC(=O)[O-])C2CC2)c2ccccc21 ZINC000095969862 402038368 /nfs/dbraw/zinc/03/83/68/402038368.db2.gz HFHRJJOEMHRHBG-UHFFFAOYSA-N -1 0 300.358 2.187 50 0 DEAARM Cc1noc(C)c1CNC(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000096436222 402086760 /nfs/dbraw/zinc/08/67/60/402086760.db2.gz WZUBQVZRMBDGMI-UHFFFAOYSA-N -1 0 312.329 2.113 50 0 DEAARM Cc1nc(CNC(=O)c2c([O-])cc(Cl)cc2Cl)no1 ZINC000096456619 402092025 /nfs/dbraw/zinc/09/20/25/402092025.db2.gz OTLZLOVWEYYWBM-UHFFFAOYSA-N -1 0 302.117 2.320 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2csc(-c3ccoc3)n2)CC1 ZINC000096479456 402093902 /nfs/dbraw/zinc/09/39/02/402093902.db2.gz ALODSEOZSUQDFU-UHFFFAOYSA-N -1 0 306.343 2.340 50 0 DEAARM CC(C)(C)c1nc(CC(=O)N2CCC(C(=O)[O-])CC2)cs1 ZINC000096479454 402094112 /nfs/dbraw/zinc/09/41/12/402094112.db2.gz FPGMIDNBWABQCP-UHFFFAOYSA-N -1 0 310.419 2.306 50 0 DEAARM O=S(=O)(Cc1ccon1)[N-][C@H](C1CCCC1)C(F)(F)F ZINC000096502206 402097824 /nfs/dbraw/zinc/09/78/24/402097824.db2.gz AXUXRFQWTBEBGZ-SNVBAGLBSA-N -1 0 312.313 2.215 50 0 DEAARM Cc1n[nH]c(C)c1[C@H](Nc1nccc(-c2ccccn2)n1)C(=O)[O-] ZINC000096140591 402062140 /nfs/dbraw/zinc/06/21/40/402062140.db2.gz OVDWYWMKXGSOAL-AWEZNQCLSA-N -1 0 324.344 2.116 50 0 DEAARM O=C([O-])CCc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000123686310 402141518 /nfs/dbraw/zinc/14/15/18/402141518.db2.gz QDNWJZBQUWPICX-OKILXGFUSA-N -1 0 323.414 2.124 50 0 DEAARM O=S(=O)([N-]c1ccc(-n2cccn2)c(Cl)c1)c1cn[nH]c1 ZINC000066585680 402136597 /nfs/dbraw/zinc/13/65/97/402136597.db2.gz WWIGHAFAZZDGBH-UHFFFAOYSA-N -1 0 323.765 2.050 50 0 DEAARM CCCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100662896 402142137 /nfs/dbraw/zinc/14/21/37/402142137.db2.gz FWWGRCJZBNGPBG-UHFFFAOYSA-N -1 0 300.358 2.183 50 0 DEAARM C[C@H](CN(C)C(=O)c1ccc(C(C)(C)C)s1)c1nnn[n-]1 ZINC000124424316 402179086 /nfs/dbraw/zinc/17/90/86/402179086.db2.gz PDJFVXJHVINJPR-SECBINFHSA-N -1 0 307.423 2.434 50 0 DEAARM O=C([N-]n1c(=O)c2ccccc2[nH]c1=S)c1cccs1 ZINC000102229034 402164175 /nfs/dbraw/zinc/16/41/75/402164175.db2.gz CIRBDHJMFQBKFM-UHFFFAOYSA-N -1 0 303.368 2.131 50 0 DEAARM COc1ccc(O[C@@H](C)C(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000071802787 402279697 /nfs/dbraw/zinc/27/96/97/402279697.db2.gz CLIZQERCBJKVGL-LBPRGKRZSA-N -1 0 321.373 2.366 50 0 DEAARM CCC[C@@H]1COCCN1Cc1ccc(OC)c(OCC(=O)[O-])c1 ZINC000215037279 402280485 /nfs/dbraw/zinc/28/04/85/402280485.db2.gz DPSFIHXMTPFIQN-CQSZACIVSA-N -1 0 323.389 2.160 50 0 DEAARM CSCC[C@H](NC(=O)c1cccc2c1ccn2C)C(=O)[O-] ZINC000217803545 402293916 /nfs/dbraw/zinc/29/39/16/402293916.db2.gz CMWIISBOYVAGSC-LBPRGKRZSA-N -1 0 306.387 2.114 50 0 biogenic DEAARM C/C(=C/C(=O)N(CC(=O)[O-])C1CCOCC1)c1ccccc1F ZINC000236617937 402368974 /nfs/dbraw/zinc/36/89/74/402368974.db2.gz MBBNYRSIDOMWHT-BENRWUELSA-N -1 0 321.348 2.321 50 0 DEAARM CC(C)(C)n1cc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cn1 ZINC000236764614 402381692 /nfs/dbraw/zinc/38/16/92/402381692.db2.gz OFXAISCKKUHHRR-UHFFFAOYSA-N -1 0 315.373 2.309 50 0 DEAARM CO[C@]1(C)C[C@H](N(C)C(=O)c2ccc(C(=O)[O-])nc2)C1(C)C ZINC000237270420 402401965 /nfs/dbraw/zinc/40/19/65/402401965.db2.gz FSIYLKJHNLWRTC-BLLLJJGKSA-N -1 0 306.362 2.055 50 0 DEAARM C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237403121 402407097 /nfs/dbraw/zinc/40/70/97/402407097.db2.gz XPVVSAHMNKEQCD-BXUZGUMPSA-N -1 0 324.808 2.408 50 0 DEAARM COc1cccc(CC(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)c1 ZINC000177483159 402407724 /nfs/dbraw/zinc/40/77/24/402407724.db2.gz FEUXATIZJNJADT-OAHLLOKOSA-N -1 0 311.337 2.453 50 0 DEAARM O=C([O-])c1ccc(C(=O)NCCc2ccc3c(c2)CCO3)s1 ZINC000238016381 402432340 /nfs/dbraw/zinc/43/23/40/402432340.db2.gz RZJJKWVOOLRFJK-UHFFFAOYSA-N -1 0 317.366 2.354 50 0 DEAARM O=C([O-])c1ccc(C(=O)NCc2cccc(OC(F)F)c2)cn1 ZINC000238049574 402434629 /nfs/dbraw/zinc/43/46/29/402434629.db2.gz IQMVWDLXIPSJQJ-UHFFFAOYSA-N -1 0 322.267 2.311 50 0 DEAARM O=C([O-])CN(C(=O)c1ccc(Cl)s1)C1CCOCC1 ZINC000238108893 402438023 /nfs/dbraw/zinc/43/80/23/402438023.db2.gz GHCINCUEPIUWSZ-UHFFFAOYSA-N -1 0 303.767 2.107 50 0 DEAARM O=C([O-])CN(C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000238103098 402438104 /nfs/dbraw/zinc/43/81/04/402438104.db2.gz DXAGSTRYFLATNH-HUUCEWRRSA-N -1 0 321.348 2.021 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)CCc2cc(Cl)cs2)CCO1 ZINC000238193411 402440782 /nfs/dbraw/zinc/44/07/82/402440782.db2.gz BPBLLZLTLDBLGE-SNVBAGLBSA-N -1 0 317.794 2.036 50 0 DEAARM CO[C@H](C)c1nc(C)c(C(=O)N2CCC(C(=O)[O-])CC2)s1 ZINC000178177734 402468595 /nfs/dbraw/zinc/46/85/95/402468595.db2.gz BXJXFWNCFVGRBA-SECBINFHSA-N -1 0 312.391 2.096 50 0 DEAARM C[C@H]1CCc2ccccc2N1CCC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000178257870 402477223 /nfs/dbraw/zinc/47/72/23/402477223.db2.gz SZBPSISNSRVLLW-ZFWWWQNUSA-N -1 0 316.401 2.151 50 0 DEAARM Cc1cccc(NC(=O)Nc2ccc(C)n(CC(=O)[O-])c2=O)c1 ZINC000169676725 402501737 /nfs/dbraw/zinc/50/17/37/402501737.db2.gz XQDHJTLUDQFTSI-UHFFFAOYSA-N -1 0 315.329 2.194 50 0 DEAARM CN(C)C1CN(C(=O)c2ccc(C(=O)c3cccc(O)c3)cc2)C1 ZINC000252571310 402659194 /nfs/dbraw/zinc/65/91/94/402659194.db2.gz XSSSPPUTGQTAQF-UHFFFAOYSA-N -1 0 324.380 2.009 50 0 DEAARM Cc1ccsc1[C@@H]1C[C@H]1C(=O)[N-]S(=O)(=O)c1ccccn1 ZINC000253428283 402666251 /nfs/dbraw/zinc/66/62/51/402666251.db2.gz PVRZTWDLDAQLEG-GHMZBOCLSA-N -1 0 322.411 2.060 50 0 DEAARM Cc1cc(CC(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)no1 ZINC000191404526 402667587 /nfs/dbraw/zinc/66/75/87/402667587.db2.gz GPVZIJFSVKSPFM-JTQLQIEISA-N -1 0 302.330 2.427 50 0 DEAARM Cc1ccc(F)c(OCC(=O)N2C[C@@H]3CCC[C@H]3[C@H]2C(=O)[O-])c1 ZINC000263030961 402741970 /nfs/dbraw/zinc/74/19/70/402741970.db2.gz QVLAYBWOZIQFHT-OZVIIMIRSA-N -1 0 321.348 2.225 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc2cn[nH]c21 ZINC000262332910 402724507 /nfs/dbraw/zinc/72/45/07/402724507.db2.gz VWTWBZLTAOOWLY-HONMWMINSA-N -1 0 313.357 2.421 50 0 DEAARM Cc1ccc(-n2[n-]c(C(=O)NC3(C(F)F)CC3)cc2=O)cc1 ZINC000337683590 404179906 /nfs/dbraw/zinc/17/99/06/404179906.db2.gz HNNZBEZPEUBHLQ-UHFFFAOYSA-N -1 0 307.300 2.002 50 0 DEAARM CC(C)C[C@H](NC(=O)c1ccccc1C(=O)[O-])c1ncnn1C ZINC000426643065 405372611 /nfs/dbraw/zinc/37/26/11/405372611.db2.gz VRZBXEFHFLWPJI-ZDUSSCGKSA-N -1 0 316.361 2.031 50 0 DEAARM O=C([O-])[C@H]1CN(c2nccc(C(F)(F)F)n2)CC12CCC2 ZINC000575609401 406813468 /nfs/dbraw/zinc/81/34/68/406813468.db2.gz XBFILFYIGQILJE-MRVPVSSYSA-N -1 0 301.268 2.187 50 0 DEAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000262691202 225282466 /nfs/dbraw/zinc/28/24/66/225282466.db2.gz GFSYHHUBTYJTBN-ZDUSSCGKSA-N -1 0 319.748 2.215 50 0 DEAARM Cc1csc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000066246979 418487073 /nfs/dbraw/zinc/48/70/73/418487073.db2.gz VAYUKLQZIZBUNW-UHFFFAOYSA-N -1 0 320.399 2.438 50 0 DEAARM O=C([O-])C[C@H](NC(=O)c1cccc2c1OCO2)c1cccs1 ZINC000299743889 229382811 /nfs/dbraw/zinc/38/28/11/229382811.db2.gz PWBWLOCADIDWOP-JTQLQIEISA-N -1 0 319.338 2.423 50 0 DEAARM O=c1c2[n-][nH]n(-c3ccccc3)c=2c(=O)n1-c1cccc(F)c1 ZINC000102820802 424848024 /nfs/dbraw/zinc/84/80/24/424848024.db2.gz JLZGUCWAEPHDCQ-KBPBESRZSA-N -1 0 310.288 2.324 50 0 DEAARM CC[C@@](C)(CC(=O)[O-])NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1 ZINC000119570857 424853070 /nfs/dbraw/zinc/85/30/70/424853070.db2.gz DCBAAXHZJCGRFF-BBRMVZONSA-N -1 0 322.336 2.078 50 0 DEAARM O=S(=O)(N[C@H]1C[C@H](Oc2ccccc2)C1)c1ccccc1[O-] ZINC000657143692 425266519 /nfs/dbraw/zinc/26/65/19/425266519.db2.gz SXNHMZNPAXGPMG-MQMHXKEQSA-N -1 0 319.382 2.281 50 0 DEAARM O=C([O-])[C@H]1C[C@H](NC(=O)CC[C@@H]2CCCO2)c2ccccc21 ZINC000653331783 425463713 /nfs/dbraw/zinc/46/37/13/425463713.db2.gz WKJXHLHEGWVUCK-CQDKDKBSSA-N -1 0 303.358 2.375 50 0 DEAARM Cc1cc(C)cc(CC(=O)N[C@H](Cc2ccncc2)C(=O)[O-])c1 ZINC000663121821 425803050 /nfs/dbraw/zinc/80/30/50/425803050.db2.gz RMLNMMJVIAOTJL-MRXNPFEDSA-N -1 0 312.369 2.053 50 0 DEAARM CC(C)[C@H]1CCCN1C(=O)c1ccc2c(c1)[n-]c(=S)[nH]c2=O ZINC000065520917 276026995 /nfs/dbraw/zinc/02/69/95/276026995.db2.gz JONIPEILWONZHA-CYBMUJFWSA-N -1 0 317.414 2.472 50 0 DEAARM CC(C)(C)OC(=O)N1CCN(Cc2ccccc2)C[C@@H]1C(=O)[O-] ZINC000008698783 277188181 /nfs/dbraw/zinc/18/81/81/277188181.db2.gz ZGEORLKSWXAMBW-CQSZACIVSA-N -1 0 320.389 2.193 50 0 DEAARM COc1c2ccoc2c(OC)c2c1C([O-])=C[C@@](O)(C(F)F)O2 ZINC000000485616 277365819 /nfs/dbraw/zinc/36/58/19/277365819.db2.gz SGBOMOZXKGIRBM-AWEZNQCLSA-N -1 0 314.240 2.369 50 0 biogenic DEAARM CC(=O)N1[C@H](C(=O)[O-])CS[C@@H]1c1c(F)cc(F)cc1F ZINC000000031823 278075276 /nfs/dbraw/zinc/07/52/76/278075276.db2.gz RGNOXUJJWODZFC-GXSJLCMTSA-N -1 0 305.277 2.151 50 0 DEAARM CC(=O)Nc1ccc(/C=C\C(=O)N[C@H](CC(C)C)C(=O)[O-])cc1 ZINC000221928460 278189586 /nfs/dbraw/zinc/18/95/86/278189586.db2.gz AZNVGACASLTPQH-WUKHSURWSA-N -1 0 318.373 2.274 50 0 DEAARM CC(C)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)[O-] ZINC000003883185 279003013 /nfs/dbraw/zinc/00/30/13/279003013.db2.gz OBAXKZOSVQFXHA-LLVKDONJSA-N -1 0 305.783 2.118 50 0 DEAARM COc1ccc(C(=O)N[C@H](CC(=O)[O-])c2cccs2)cn1 ZINC000072277024 295097905 /nfs/dbraw/zinc/09/79/05/295097905.db2.gz DMZIFFUBWLQTIC-SNVBAGLBSA-N -1 0 306.343 2.098 50 0 DEAARM Cc1c2c(cc(=O)n1Cc1ccco1)[n-]n(-c1ccccc1)c2=O ZINC000004741447 301015150 /nfs/dbraw/zinc/01/51/50/301015150.db2.gz MIRFIMNUTDFIPW-UHFFFAOYSA-N -1 0 321.336 2.430 50 0 DEAARM Cc1cn(C)c(CC(=O)N2CCc3ccccc3C2)c1C(=O)[O-] ZINC000064980583 302317515 /nfs/dbraw/zinc/31/75/15/302317515.db2.gz WNWBCRDIAMXPJT-UHFFFAOYSA-N -1 0 312.369 2.159 50 0 DEAARM Cc1[nH]nc2c1[C@@H](c1ccc(C(=O)[O-])cc1)SCC(=O)N2 ZINC000021525136 302532089 /nfs/dbraw/zinc/53/20/89/302532089.db2.gz AXXQHKNPESQZIY-GFCCVEGCSA-N -1 0 303.343 2.191 50 0 DEAARM Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1ccccc1C(=O)[O-] ZINC000072243048 302705608 /nfs/dbraw/zinc/70/56/08/302705608.db2.gz YPKRXFSCTLFRPC-OAHLLOKOSA-N -1 0 311.341 2.291 50 0 DEAARM Cc1noc(C)c1C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262025431 302836618 /nfs/dbraw/zinc/83/66/18/302836618.db2.gz YEOPQEGTSHHERI-CQSZACIVSA-N -1 0 300.314 2.116 50 0 DEAARM CCn1ncc(-c2ccc(OC)c(OC)c2OC)c1C(=O)[O-] ZINC000534655504 334313812 /nfs/dbraw/zinc/31/38/12/334313812.db2.gz ATSRWHHVSXYNJA-UHFFFAOYSA-N -1 0 306.318 2.294 50 0 DEAARM COc1ccccc1OCC(=O)N1CCCC[C@H]1CCC(=O)[O-] ZINC000299743872 534191413 /nfs/dbraw/zinc/19/14/13/534191413.db2.gz PQJDATOBUUSOPE-ZDUSSCGKSA-N -1 0 321.373 2.320 50 0 DEAARM Cc1oc(CNC(=O)c2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC000299742172 534545355 /nfs/dbraw/zinc/54/53/55/534545355.db2.gz IFXCLTDYKPKLRV-UHFFFAOYSA-N -1 0 301.298 2.151 50 0 DEAARM CC[C@]1(C)C[C@@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000263176537 535926536 /nfs/dbraw/zinc/92/65/36/535926536.db2.gz LFECZIBKFNYBSS-VWPFQQQWSA-N -1 0 309.406 2.151 50 0 DEAARM O=C([O-])[Si](c1ccccc1)(c1ccccc1)c1ccccc1 ZINC000169818028 563849406 /nfs/dbraw/zinc/84/94/06/563849406.db2.gz FJDWNXHRKLLNHK-UHFFFAOYSA-N -1 0 304.421 2.417 50 0 DEAARM CC(C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@@]12CCOc1ccccc12 ZINC000328587531 563929632 /nfs/dbraw/zinc/92/96/32/563929632.db2.gz AFBFFLVQQXWPHS-SUMWQHHRSA-N -1 0 303.358 2.048 50 0 DEAARM CCc1cnc(CCNC(=O)c2cccc(C(=O)[O-])c2)s1 ZINC000237010761 600919558 /nfs/dbraw/zinc/91/95/58/600919558.db2.gz OXHVWPADWRSKST-UHFFFAOYSA-N -1 0 304.371 2.376 50 0 DEAARM O=[N+]([O-])c1ccccc1S(=O)(=O)[N-]c1ccc2c(c1)CCN2 ZINC000314247081 625790845 /nfs/dbraw/zinc/79/08/45/625790845.db2.gz JSZRAMBKGQABNT-UHFFFAOYSA-N -1 0 319.342 2.364 50 0 DEAARM O=C([O-])[C@H]1C[C@@H](C(F)(F)F)CCN1C(=O)OCCCF ZINC000952994313 635216531 /nfs/dbraw/zinc/21/65/31/635216531.db2.gz ZFCQFKWORLXOIK-JGVFFNPUSA-N -1 0 301.236 2.210 50 0 DEAARM O=C([O-])/C=C/CC(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000044980267 646441909 /nfs/dbraw/zinc/44/19/09/646441909.db2.gz RQVSRUDZWARQQU-HNQUOIGGSA-N -1 0 324.764 2.146 50 0 DEAARM O=C([O-])c1ccc(C=NNC(=O)Cc2ccc(F)cc2)cc1 ZINC000254706473 685197698 /nfs/dbraw/zinc/19/76/98/685197698.db2.gz WGNIVFFNEONZKF-UHFFFAOYSA-N -1 0 300.289 2.217 50 0 DEAARM O=C([O-])C[C@@H]1CCCCN1S(=O)(=O)c1sccc1Cl ZINC000864095860 686619323 /nfs/dbraw/zinc/61/93/23/686619323.db2.gz ITAZMBOPVJRHGB-QMMMGPOBSA-N -1 0 323.823 2.419 50 0 DEAARM C/C(=C\C(=O)N1CCO[C@H](CC(=O)[O-])C1)CCc1ccccc1 ZINC000584908075 789634361 /nfs/dbraw/zinc/63/43/61/789634361.db2.gz AJDVQUABVOOOBN-WSYSLRRZSA-N -1 0 317.385 2.268 50 0 DEAARM O=C([O-])c1cnc(N[C@H](Cn2cccn2)c2ccccc2)cn1 ZINC001506413943 1061955857 /nfs/dbraw/zinc/95/58/57/1061955857.db2.gz ASFJSJNDCJREFF-CQSZACIVSA-N -1 0 309.329 2.225 50 0 DEAARM Cc1cc(C(=O)[O-])nc(NCCCn2ccnc2C(C)C)n1 ZINC001506419615 1061963180 /nfs/dbraw/zinc/96/31/80/1061963180.db2.gz GSIKIKGFALOOCC-UHFFFAOYSA-N -1 0 303.366 2.305 50 0 DEAARM Cc1ccccc1N1CC[C@H](CNc2cnc(C(=O)[O-])cn2)C1 ZINC001506422463 1061966346 /nfs/dbraw/zinc/96/63/46/1061966346.db2.gz BLHLWMDQHOTNNY-CYBMUJFWSA-N -1 0 312.373 2.422 50 0 DEAARM Cc1nc2cc(CNc3nc(C)cc(C(=O)[O-])n3)ccc2n1C ZINC001506427551 1061974111 /nfs/dbraw/zinc/97/41/11/1061974111.db2.gz MRPHCDKTZAVBQM-UHFFFAOYSA-N -1 0 311.345 2.290 50 0 DEAARM CCCn1cc(C(=O)N[C@H](CC(=O)[O-])c2ccco2)c(C)n1 ZINC000095518377 185376841 /nfs/dbraw/zinc/37/68/41/185376841.db2.gz CZSNCURYMOGSHM-GFCCVEGCSA-N -1 0 305.334 2.140 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000095424091 185361531 /nfs/dbraw/zinc/36/15/31/185361531.db2.gz YJRDQBYCSAJJGY-VIFPVBQESA-N -1 0 315.728 2.181 50 0 DEAARM CCO[N-]C(=O)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC000078239927 539364832 /nfs/dbraw/zinc/36/48/32/539364832.db2.gz YGYUBNOHRRFKPT-GNFNDJEDSA-N -1 0 320.433 2.262 50 0 DEAARM O=C(c1n[nH]c(=O)[n-]1)N1CC=C(c2ccc(Cl)cc2)CC1 ZINC000082973086 539387696 /nfs/dbraw/zinc/38/76/96/539387696.db2.gz LUGWTEQNMANZDR-UHFFFAOYSA-N -1 0 304.737 2.093 50 0 DEAARM CCn1nc(C)c(S(=O)(=O)[N-]c2cc(O)cc(F)c2)c1C ZINC000331326713 233081497 /nfs/dbraw/zinc/08/14/97/233081497.db2.gz OYZFYELDGMZCKS-UHFFFAOYSA-N -1 0 313.354 2.165 50 0 DEAARM COCC[C@@]1(C(=O)[O-])CCCN(c2ncnc3ccsc32)C1 ZINC000071614091 190994425 /nfs/dbraw/zinc/99/44/25/190994425.db2.gz ZIIZDXZZDBPQIX-HNNXBMFYSA-N -1 0 321.402 2.399 50 0 DEAARM O=C([O-])C[C@H]1COCCN1C(=O)c1ccc2sccc2c1 ZINC000072125285 191041927 /nfs/dbraw/zinc/04/19/27/191041927.db2.gz OFYKOURUJGBIRM-LBPRGKRZSA-N -1 0 305.355 2.217 50 0 DEAARM O=C([O-])[C@H]1CN(C(=O)CCc2nccs2)c2ccccc21 ZINC000262861943 186315287 /nfs/dbraw/zinc/31/52/87/186315287.db2.gz ZOQRONLLMDASPU-NSHDSACASA-N -1 0 302.355 2.291 50 0 DEAARM CC(=O)Nc1ccc(N[C@@H]2CCCn3nc(C(=O)[O-])cc32)cc1 ZINC000072329841 191123903 /nfs/dbraw/zinc/12/39/03/191123903.db2.gz WINLLTRZLJYLAR-CYBMUJFWSA-N -1 0 314.345 2.487 50 0 DEAARM CC(=O)Nc1cccc(-c2ccnc3c2c(C(=O)[O-])nn3C)c1 ZINC000072339684 191125978 /nfs/dbraw/zinc/12/59/78/191125978.db2.gz WESCJAVMWYMWGH-UHFFFAOYSA-N -1 0 310.313 2.292 50 0 DEAARM Cc1ccc(OC2(C(=O)[O-])CCN(c3nccs3)CC2)cn1 ZINC000072410291 191154377 /nfs/dbraw/zinc/15/43/77/191154377.db2.gz KDQDYGHOTZGGNN-UHFFFAOYSA-N -1 0 319.386 2.349 50 0 DEAARM CCNC(=O)N1CCC(Oc2cc(C)ccc2F)(C(=O)[O-])CC1 ZINC000072436137 191166703 /nfs/dbraw/zinc/16/67/03/191166703.db2.gz NLSQKQMXEWHCNQ-UHFFFAOYSA-N -1 0 324.352 2.162 50 0 DEAARM CC(=O)Nc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])c1 ZINC000000293355 180750395 /nfs/dbraw/zinc/75/03/95/180750395.db2.gz JRMZHAIDBWNOAA-KGLIPLIRSA-N -1 0 304.346 2.475 50 0 DEAARM CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)[O-] ZINC000000284446 180747276 /nfs/dbraw/zinc/74/72/76/180747276.db2.gz VHAXDHPAMFQVPQ-UHFFFAOYSA-N -1 0 305.355 2.351 50 0 DEAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)N1CC1 ZINC000006415172 353996608 /nfs/dbraw/zinc/99/66/08/353996608.db2.gz SRYLXKAJMRNQEW-UHFFFAOYSA-N -1 0 320.345 2.082 50 0 DEAARM C[C@@H]1C[C@H](C)CN(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])C1 ZINC000004089621 181071822 /nfs/dbraw/zinc/07/18/22/181071822.db2.gz BXFWZVGFFUOJQF-GUTXKFCHSA-N -1 0 304.390 2.370 50 0 biogenic DEAARM O=C([O-])c1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000004314167 181096699 /nfs/dbraw/zinc/09/66/99/181096699.db2.gz OZJFDNRCHHJCDG-UHFFFAOYSA-N -1 0 324.380 2.343 50 0 DEAARM O=C([O-])c1ccccc1OC[C@@H](O)Cn1cnc2ccccc21 ZINC000004905100 181170676 /nfs/dbraw/zinc/17/06/76/181170676.db2.gz VJNQOOSCWTVZNK-LBPRGKRZSA-N -1 0 312.325 2.174 50 0 DEAARM Cc1ccc(CCNC(=O)c2nn(-c3ccccc3)cc2[O-])cn1 ZINC000076083416 355124280 /nfs/dbraw/zinc/12/42/80/355124280.db2.gz PPGLAUOZKYRYFK-UHFFFAOYSA-N -1 0 322.368 2.254 50 0 DEAARM C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N1CCCC[C@H]1CC(=O)[O-] ZINC000390937562 540135953 /nfs/dbraw/zinc/13/59/53/540135953.db2.gz IVLOUYBSDPPFSD-MQIPJXDCSA-N -1 0 319.357 2.071 50 0 DEAARM O=S(=O)(Cc1cccc(C(F)(F)F)c1)[N-]c1cnccn1 ZINC000137257673 355869726 /nfs/dbraw/zinc/86/97/26/355869726.db2.gz ZIZLFOWHCRGZBM-UHFFFAOYSA-N -1 0 317.292 2.437 50 0 DEAARM Cc1cc(NC(=O)c2ccc3[n-]c(=S)oc3c2)c[nH]c1=O ZINC000159566790 355961799 /nfs/dbraw/zinc/96/17/99/355961799.db2.gz ZCGUSZZOMYTOJD-UHFFFAOYSA-N -1 0 301.327 2.366 50 0 DEAARM CN(CC(=O)[O-])C(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000237154872 202169594 /nfs/dbraw/zinc/16/95/94/202169594.db2.gz PZHDUVLNXKDFEZ-ZJUUUORDSA-N -1 0 317.263 2.232 50 0 DEAARM COc1ccc2c(c1)CCN2C(=O)[C@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000180119449 199119105 /nfs/dbraw/zinc/11/91/05/199119105.db2.gz AZLHZNMSFNCLEA-QWHCGFSZSA-N -1 0 303.358 2.475 50 0 DEAARM Cc1cc(C(=O)NCc2ccoc2)cc(C)c1OCC(=O)[O-] ZINC000180126511 199120733 /nfs/dbraw/zinc/12/07/33/199120733.db2.gz RPQXGHWDJIYBRI-UHFFFAOYSA-N -1 0 303.314 2.290 50 0 DEAARM C[C@@H](CCc1cccc(F)c1)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000237325204 202230916 /nfs/dbraw/zinc/23/09/16/202230916.db2.gz FUXDDTGFIHMNKY-WFASDCNBSA-N -1 0 323.364 2.097 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)C2(Cc3ccccc3)CCC2)CCO1 ZINC000238050169 304084100 /nfs/dbraw/zinc/08/41/00/304084100.db2.gz XYLDISTUOWHMTF-HNNXBMFYSA-N -1 0 317.385 2.102 50 0 DEAARM C[C@H](NC(=O)c1ccc(C(=O)[O-])o1)[C@@H]1COc2ccccc21 ZINC000237599896 202299280 /nfs/dbraw/zinc/29/92/80/202299280.db2.gz GMZMUZXZKKAJHL-ONGXEEELSA-N -1 0 301.298 2.272 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000237647103 202317013 /nfs/dbraw/zinc/31/70/13/202317013.db2.gz CXAJWTONVLBZOQ-UVWXRNBGSA-N -1 0 309.312 2.392 50 0 DEAARM Cc1ccccc1CC(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000237710218 202334281 /nfs/dbraw/zinc/33/42/81/202334281.db2.gz NNXCQMRWEDACCD-HNNXBMFYSA-N -1 0 305.374 2.020 50 0 DEAARM Cc1cccc(OCCC(=O)N2CCC(C(=O)[O-])CC2)c1C ZINC000237699194 202332361 /nfs/dbraw/zinc/33/23/61/202332361.db2.gz ICKNLUXNUJEHNO-UHFFFAOYSA-N -1 0 305.374 2.396 50 0 DEAARM Cn1cc(CCC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c2ccccc21 ZINC000237767529 202350102 /nfs/dbraw/zinc/35/01/02/202350102.db2.gz BXACEJCOKYQNSG-GOSISDBHSA-N -1 0 314.385 2.434 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCOc2ccc(Cl)cc2)C1 ZINC000237776532 202351796 /nfs/dbraw/zinc/35/17/96/202351796.db2.gz DRHNFSCAQAYFIT-HNNXBMFYSA-N -1 0 311.765 2.432 50 0 DEAARM Cc1cc2c(cc1C)O[C@H](C(=O)NCc1ccc(C(=O)[O-])o1)C2 ZINC000237896303 202382042 /nfs/dbraw/zinc/38/20/42/202382042.db2.gz CUVPLDZHEDWQPJ-HNNXBMFYSA-N -1 0 315.325 2.215 50 0 DEAARM Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C(=O)[O-])CC2)cc1 ZINC000238900299 202451532 /nfs/dbraw/zinc/45/15/32/202451532.db2.gz IQPUQDZEJRQLJP-JOCQHMNTSA-N -1 0 311.403 2.164 50 0 DEAARM CCCn1nccc1NC(=O)NCc1cccc(C(=O)[O-])c1 ZINC000669494849 540844066 /nfs/dbraw/zinc/84/40/66/540844066.db2.gz RDJVQJIYMICYKF-UHFFFAOYSA-N -1 0 302.334 2.313 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2COc3ccc(Cl)cc3C2)C1 ZINC000013260797 304109526 /nfs/dbraw/zinc/10/95/26/304109526.db2.gz KOPVNRDADVWBHT-PWSUYJOCSA-N -1 0 323.776 2.214 50 0 DEAARM O=C([O-])[C@@H]1CCCN(c2ncnc3sc4c(c32)CCC4)C1 ZINC000003391711 304110933 /nfs/dbraw/zinc/11/09/33/304110933.db2.gz HFWBEZWBCMILEK-SECBINFHSA-N -1 0 303.387 2.481 50 0 DEAARM Cc1ccc(COCC(=O)NC2CCC(C(=O)[O-])CC2)cc1 ZINC000621535723 364442461 /nfs/dbraw/zinc/44/24/61/364442461.db2.gz LYUOQAOYAVMHRI-UHFFFAOYSA-N -1 0 305.374 2.271 50 0 DEAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1cccs1 ZINC000006706859 181375443 /nfs/dbraw/zinc/37/54/43/181375443.db2.gz NPHYCKNBKVRANF-UHFFFAOYSA-N -1 0 303.386 2.397 50 0 DEAARM Cc1cc(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000006746610 181381801 /nfs/dbraw/zinc/38/18/01/181381801.db2.gz MQQJUIWMXAAAFR-SNVBAGLBSA-N -1 0 317.794 2.134 50 0 DEAARM CCc1cccc([N-]S(=O)(=O)c2c[nH]c(C(=O)OC)c2)c1 ZINC000006779758 181386572 /nfs/dbraw/zinc/38/65/72/181386572.db2.gz YZGRFXJREZMQQS-UHFFFAOYSA-N -1 0 308.359 2.165 50 0 DEAARM O=C([O-])[C@H](C1CC1)n1nnc(-c2ccc(Br)cc2)n1 ZINC000630381445 367623225 /nfs/dbraw/zinc/62/32/25/367623225.db2.gz QMWDVCTWCWBNKN-JTQLQIEISA-N -1 0 323.150 2.138 50 0 DEAARM C/C(=C\C(=O)N1CCC[C@@H](n2cc(C(=O)[O-])cn2)C1)C1CC1 ZINC000221726671 201590951 /nfs/dbraw/zinc/59/09/51/201590951.db2.gz LDBBXCPZTFSUNY-DPQIITEBSA-N -1 0 303.362 2.101 50 0 DEAARM O=C([O-])c1csc(CNC(=O)[C@H]2CSc3ccccc32)n1 ZINC000092238013 193177971 /nfs/dbraw/zinc/17/79/71/193177971.db2.gz PYCDTWZRFYFAFI-VIFPVBQESA-N -1 0 320.395 2.347 50 0 DEAARM CCCC[C@@H](C)C(=O)[N-]S(=O)(=O)c1sccc1OC ZINC000252490998 202849403 /nfs/dbraw/zinc/84/94/03/202849403.db2.gz LHXGKZOUXXKEPD-SECBINFHSA-N -1 0 305.421 2.388 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1n[nH]c2ccccc21 ZINC000262555247 304144709 /nfs/dbraw/zinc/14/47/09/304144709.db2.gz UBARREDLXINGEU-GDLCADMTSA-N -1 0 313.357 2.421 50 0 DEAARM O=C([O-])Cn1ncnc1-c1ncc(C(F)(F)F)cc1Cl ZINC000261494893 203073278 /nfs/dbraw/zinc/07/32/78/203073278.db2.gz QIOIPJHZPBNVQD-UHFFFAOYSA-N -1 0 306.631 2.097 50 0 DEAARM COc1ccc([C@@H](C)C(=O)NCc2ccc(C(=O)[O-])o2)cc1 ZINC000262184566 203223201 /nfs/dbraw/zinc/22/32/01/203223201.db2.gz SRHJRBJPESTBGF-SNVBAGLBSA-N -1 0 303.314 2.406 50 0 DEAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CCc1cscn1 ZINC000262493967 203308247 /nfs/dbraw/zinc/30/82/47/203308247.db2.gz ZVGAGOSQHTVKRW-DRZSPHRISA-N -1 0 308.403 2.320 50 0 DEAARM CCn1nc(C)c(C(=O)Nc2ccc(C(=O)[O-])c(OC)c2)c1C ZINC000263079856 203435300 /nfs/dbraw/zinc/43/53/00/203435300.db2.gz ZBPOWIMGAVGJDG-UHFFFAOYSA-N -1 0 317.345 2.479 50 0 DEAARM O=c1[n-]c(=O)c(SCc2c(Cl)cccc2Cl)n[nH]1 ZINC000016940823 182064979 /nfs/dbraw/zinc/06/49/79/182064979.db2.gz KDAMATXPCXYUDI-UHFFFAOYSA-N -1 0 304.158 2.470 50 0 DEAARM CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)[O-])cc1 ZINC000020130249 182189777 /nfs/dbraw/zinc/18/97/77/182189777.db2.gz KBUWBXIDSRAVMB-UHFFFAOYSA-N -1 0 323.345 2.490 50 0 DEAARM CCn1cc(-c2cc(C(F)F)n3ncc(C(=O)[O-])c3n2)cn1 ZINC000020617630 182239373 /nfs/dbraw/zinc/23/93/73/182239373.db2.gz AKWMUYGJHGWNQX-UHFFFAOYSA-N -1 0 307.260 2.249 50 0 DEAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)OCCO2 ZINC000000113642 304181418 /nfs/dbraw/zinc/18/14/18/304181418.db2.gz LWYYYWNLCLHWQV-NEPJUHHUSA-N -1 0 305.330 2.287 50 0 DEAARM O=C([O-])c1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 ZINC000098211217 193792406 /nfs/dbraw/zinc/79/24/06/193792406.db2.gz HRRPZUZOKALSOI-UHFFFAOYSA-N -1 0 323.352 2.121 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(c2cccc(-c3nc(C4CC4)no3)c2)C1 ZINC000044979146 183472445 /nfs/dbraw/zinc/47/24/45/183472445.db2.gz YZMOYPBBSPAORJ-NSHDSACASA-N -1 0 313.313 2.052 50 0 DEAARM CCn1nc(C)c(C(=O)NC2CCC(C(=O)[O-])CC2)c1Cl ZINC000268932869 207096769 /nfs/dbraw/zinc/09/67/69/207096769.db2.gz LHFWSLKTSIJQMX-UHFFFAOYSA-N -1 0 313.785 2.238 50 0 DEAARM Cc1ccc(OCC(=O)NC2CCC(C(=O)[O-])CC2)cc1C ZINC000268940221 207105351 /nfs/dbraw/zinc/10/53/51/207105351.db2.gz RDHSMJZSMZPLSZ-UHFFFAOYSA-N -1 0 305.374 2.442 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)c(OC)c1 ZINC000269051004 207200234 /nfs/dbraw/zinc/20/02/34/207200234.db2.gz VLUCUEDNRPFQIY-UABRLCRWSA-N -1 0 319.357 2.040 50 0 DEAARM C/C(=C\c1ccco1)[C@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065460629 184348883 /nfs/dbraw/zinc/34/88/83/184348883.db2.gz AFNNSGVTFXKTMX-UVMWJGKXSA-N -1 0 315.329 2.398 50 0 DEAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000041565005 299567879 /nfs/dbraw/zinc/56/78/79/299567879.db2.gz JINRKKBYQYYDRV-VHSXEESVSA-N -1 0 313.300 2.055 50 0 DEAARM C[C@@]1(C(=O)[O-])CCN(C(=O)COCc2ccccc2Cl)C1 ZINC000237525286 257238586 /nfs/dbraw/zinc/23/85/86/257238586.db2.gz CDXIUBPFZZHXFA-OAHLLOKOSA-N -1 0 311.765 2.180 50 0 DEAARM COc1cccc(OC)c1C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000261781959 533622832 /nfs/dbraw/zinc/62/28/32/533622832.db2.gz SACMTBLDYUDMNV-GFCCVEGCSA-N -1 0 321.373 2.421 50 0 DEAARM Cc1c(-c2ccc(C3(O)CCC3)cc2)cc(C(=O)[O-])c(=O)n1C ZINC000685942299 542768603 /nfs/dbraw/zinc/76/86/03/542768603.db2.gz KJJWLFBRNQUBLG-UHFFFAOYSA-N -1 0 313.353 2.430 50 0 DEAARM C[C@]1(C(=O)[O-])CCCN(C(=O)c2ncsc2C(F)(F)F)C1 ZINC000262914108 145310956 /nfs/dbraw/zinc/31/09/56/145310956.db2.gz DVYYWNJKBXYPHV-NSHDSACASA-N -1 0 322.308 2.489 50 0 DEAARM CC(C)Oc1cccc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])n1 ZINC000262932458 145312227 /nfs/dbraw/zinc/31/22/27/145312227.db2.gz KDAKJPUXCZQPKV-YWPYICTPSA-N -1 0 318.373 2.194 50 0 DEAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)c1cc(N2CCCC2)ccn1 ZINC000263053014 145321433 /nfs/dbraw/zinc/32/14/33/145321433.db2.gz ACYNQGHCKCTMFT-QWHCGFSZSA-N -1 0 317.389 2.007 50 0 DEAARM COc1cc(C)c(C(=O)NCc2ccc(C(=O)[O-])o2)cc1OC ZINC000263093905 145324899 /nfs/dbraw/zinc/32/48/99/145324899.db2.gz IFSDSUCTVCRPMT-UHFFFAOYSA-N -1 0 319.313 2.233 50 0 DEAARM CC(C)Cn1cc(NC(=O)NC2CCC(C(=O)[O-])CC2)cn1 ZINC000263130725 145327895 /nfs/dbraw/zinc/32/78/95/145327895.db2.gz YCYNRGXZSWKHGU-UHFFFAOYSA-N -1 0 308.382 2.304 50 0 DEAARM CC[C@]1(C)C[C@H]1C(=O)N1CCC([C@@H]2OCC[C@H]2C(=O)[O-])CC1 ZINC000263176540 145333108 /nfs/dbraw/zinc/33/31/08/145333108.db2.gz LFECZIBKFNYBSS-XJIUQZFPSA-N -1 0 309.406 2.151 50 0 DEAARM CCOC(=O)C(CCC(=O)[O-])(Cc1ccccc1)C(=O)OCC ZINC000003051485 401721247 /nfs/dbraw/zinc/72/12/47/401721247.db2.gz XDZBVHIYOHNVSW-UHFFFAOYSA-N -1 0 322.357 2.207 50 0 DEAARM Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000003135709 401721893 /nfs/dbraw/zinc/72/18/93/401721893.db2.gz VCKBZBBAHJLSJZ-QWHCGFSZSA-N -1 0 322.792 2.018 50 0 DEAARM COc1ccc(C(=O)Nc2cccc(OCC(=O)[O-])c2)cc1 ZINC000008189221 401749201 /nfs/dbraw/zinc/74/92/01/401749201.db2.gz FTWUUDPMWMOIAA-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM COc1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1 ZINC000000028410 401687342 /nfs/dbraw/zinc/68/73/42/401687342.db2.gz WPBSECKAKWJQLM-UHFFFAOYSA-N -1 0 320.370 2.454 50 0 DEAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)C(Cl)(Cl)Cl ZINC000000161981 401688760 /nfs/dbraw/zinc/68/87/60/401688760.db2.gz XTCXBOHYWZUZJF-MRVPVSSYSA-N -1 0 310.564 2.169 50 0 DEAARM O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000000188693 401689573 /nfs/dbraw/zinc/68/95/73/401689573.db2.gz URCJXROVIXGQPO-UHFFFAOYSA-N -1 0 317.370 2.009 50 0 DEAARM CCc1cccc(C)c1NC(=O)[C@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000000214714 401690642 /nfs/dbraw/zinc/69/06/42/401690642.db2.gz ZBZCASVMQIQUTN-RFGFWPKPSA-N -1 0 303.358 2.374 50 0 DEAARM COc1ccccc1NC(=O)Cc1c([O-])c2ccccc2[nH]c1=O ZINC000000223431 401691090 /nfs/dbraw/zinc/69/10/90/401691090.db2.gz QBINWWAJRZMEAH-UHFFFAOYSA-N -1 0 324.336 2.424 50 0 DEAARM C[C@H]1CCCN(C(=O)Cn2c(=O)c3ccccc3[n-]c2=S)C1 ZINC000000425339 401697610 /nfs/dbraw/zinc/69/76/10/401697610.db2.gz GBMUJZLDBZYWLO-NSHDSACASA-N -1 0 317.414 2.318 50 0 DEAARM COc1ccc(CC(=O)Nc2ccc(OCC(=O)[O-])cc2)cc1 ZINC000000454061 401698490 /nfs/dbraw/zinc/69/84/90/401698490.db2.gz BHQVDHTZMNBMTA-UHFFFAOYSA-N -1 0 315.325 2.340 50 0 DEAARM COC(=O)c1sccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-] ZINC000000460544 401698573 /nfs/dbraw/zinc/69/85/73/401698573.db2.gz BTUCDCVKKNNAFO-IUCAKERBSA-N -1 0 311.359 2.364 50 0 DEAARM COc1ccc(OCC(=O)Nc2ccccc2C(=O)[O-])cc1 ZINC000000454138 401698752 /nfs/dbraw/zinc/69/87/52/401698752.db2.gz JHCUZGSREIUIPD-UHFFFAOYSA-N -1 0 301.298 2.411 50 0 DEAARM C[C@@H](NC(=O)c1ccc2[n-]c(=S)oc2c1)C(=O)N1CCCC1 ZINC000073108660 401716419 /nfs/dbraw/zinc/71/64/19/401716419.db2.gz PSCVEBUTSMFPBG-SECBINFHSA-N -1 0 319.386 2.231 50 0 DEAARM CN(C)C(=O)C(C)(C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073476286 401717866 /nfs/dbraw/zinc/71/78/66/401717866.db2.gz ADUQVRGJBSWZRE-UHFFFAOYSA-N -1 0 307.375 2.087 50 0 DEAARM CCOc1ccc(C(=O)N2CCC[C@H](C(=O)[O-])C2)cc1OC ZINC000013171040 401797714 /nfs/dbraw/zinc/79/77/14/401797714.db2.gz FFEGJCPCEYPDQR-LBPRGKRZSA-N -1 0 307.346 2.031 50 0 DEAARM CCCS(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1Cl ZINC000013342969 401798746 /nfs/dbraw/zinc/79/87/46/401798746.db2.gz MFWLVDCJTZKCGD-NSHDSACASA-N -1 0 305.783 2.185 50 0 DEAARM O=C([O-])Cc1csc(NC(=O)CCc2ccc(F)cc2)n1 ZINC000013407042 401799624 /nfs/dbraw/zinc/79/96/24/401799624.db2.gz HWCKZSKVJWOCJZ-UHFFFAOYSA-N -1 0 308.334 2.481 50 0 DEAARM CCc1c(C)c2ccc(OCc3nnn[n-]3)c(C)c2oc1=O ZINC000013804252 401804678 /nfs/dbraw/zinc/80/46/78/401804678.db2.gz WBPRHGHKXQDSNC-UHFFFAOYSA-N -1 0 300.318 2.064 50 0 DEAARM CN(C)C(=O)c1ccc([N-]S(=O)(=O)c2ccccc2F)cc1 ZINC000010515327 401770916 /nfs/dbraw/zinc/77/09/16/401770916.db2.gz XCJJWLRMNAPUOC-UHFFFAOYSA-N -1 0 322.361 2.328 50 0 DEAARM CCOc1ccccc1[C@H]1[C@H](C(=O)[O-])CCC(=O)N1CCOC ZINC000012412518 401784793 /nfs/dbraw/zinc/78/47/93/401784793.db2.gz SVVAUUOKQKJTKK-CJNGLKHVSA-N -1 0 321.373 2.096 50 0 DEAARM O=S(=O)([N-]c1nnc2ccccn21)c1ccc2c(c1)CCC2 ZINC000078554414 401855570 /nfs/dbraw/zinc/85/55/70/401855570.db2.gz BBFLDTUVUDIQMP-UHFFFAOYSA-N -1 0 314.370 2.019 50 0 DEAARM Cc1nc2ccccn2c1C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC000031965515 401874983 /nfs/dbraw/zinc/87/49/83/401874983.db2.gz BVNCTYXIATWYQK-UHFFFAOYSA-N -1 0 309.325 2.271 50 0 DEAARM O=C([O-])CN1C(=O)c2ccccc2/C(=C/c2ccsc2)C1=O ZINC000032741436 401881812 /nfs/dbraw/zinc/88/18/12/401881812.db2.gz QJHYRCFDNHSFAR-QPEQYQDCSA-N -1 0 313.334 2.356 50 0 DEAARM CCCCNC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000032795109 401883307 /nfs/dbraw/zinc/88/33/07/401883307.db2.gz MFJGBOBXEGEPRU-UHFFFAOYSA-N -1 0 300.380 2.107 50 0 DEAARM COc1ccc(-c2cc(N3CCC[C@@H](C(=O)[O-])C3)ncn2)cc1 ZINC000032918485 401885698 /nfs/dbraw/zinc/88/56/98/401885698.db2.gz WIAGTARAKCTUSU-CYBMUJFWSA-N -1 0 313.357 2.453 50 0 DEAARM CC[C@@H](O[C@@H]1C=CC(=O)N(c2cc(Cl)ccc2C)N1)C(=O)[O-] ZINC000032918634 401885778 /nfs/dbraw/zinc/88/57/78/401885778.db2.gz IQOQNAPURKJVDX-CHWSQXEVSA-N -1 0 324.764 2.262 50 0 DEAARM O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)NCc1ccccc1 ZINC000033312472 401890335 /nfs/dbraw/zinc/89/03/35/401890335.db2.gz ZTJUMTNLVPKZIB-KHPPLWFESA-N -1 0 324.336 2.196 50 0 DEAARM COc1ccc(NCc2nn(Cc3ccccc3)c(=O)[n-]2)cc1 ZINC000036559161 401905449 /nfs/dbraw/zinc/90/54/49/401905449.db2.gz RJQOTNUYAAKHMD-UHFFFAOYSA-N -1 0 310.357 2.240 50 0 DEAARM NS(=O)(=O)c1ccc(NC2CCCCCC2)c(C(=O)[O-])c1 ZINC000037390454 401912141 /nfs/dbraw/zinc/91/21/41/401912141.db2.gz WWZOOMLWQRHPTN-UHFFFAOYSA-N -1 0 312.391 2.167 50 0 DEAARM C[C@@H](O)[C@@H](NC(=O)c1sc2ccccc2c1Cl)C(=O)[O-] ZINC000037407216 401912757 /nfs/dbraw/zinc/91/27/57/401912757.db2.gz MEORQPXWSFVHNN-LHLIQPBNSA-N -1 0 313.762 2.119 50 0 DEAARM CCCN(CC(=O)[O-])C(=O)c1ccc(Br)cc1 ZINC000038019432 401920371 /nfs/dbraw/zinc/92/03/71/401920371.db2.gz LNJIYAZRVWZIPU-UHFFFAOYSA-N -1 0 300.152 2.386 50 0 DEAARM COc1ccc(C)nc1[N-]S(=O)(=O)Cc1cccc(F)c1 ZINC000089626880 401954677 /nfs/dbraw/zinc/95/46/77/401954677.db2.gz SIVALXWLJILOIW-UHFFFAOYSA-N -1 0 310.350 2.480 50 0 DEAARM Cc1nc(CC(=O)N[C@@H](C(=O)[O-])c2cccc(F)c2)cs1 ZINC000095360564 402027783 /nfs/dbraw/zinc/02/77/83/402027783.db2.gz ZNIRGJDSGHWGOT-CYBMUJFWSA-N -1 0 308.334 2.075 50 0 DEAARM C[C@@H](CN(C)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)C(=O)[O-] ZINC000095389895 402031781 /nfs/dbraw/zinc/03/17/81/402031781.db2.gz CZUSTCDLSCJLBG-JTQLQIEISA-N -1 0 307.394 2.308 50 0 DEAARM CN(Cc1ccccn1)[C@H](C(=O)[O-])c1ccc2c(c1)OCO2 ZINC000095387500 402032053 /nfs/dbraw/zinc/03/20/53/402032053.db2.gz YQKWCLWBPHRWQX-HNNXBMFYSA-N -1 0 300.314 2.068 50 0 DEAARM Cc1ccc(CO)cc1[N-]S(=O)(=O)c1cn(CC(C)C)cn1 ZINC000095964085 402037372 /nfs/dbraw/zinc/03/73/72/402037372.db2.gz CCLREUKAJNAZBP-UHFFFAOYSA-N -1 0 323.418 2.141 50 0 DEAARM Cc1c(C(=O)N[C@H](C)CC(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000095970375 402038313 /nfs/dbraw/zinc/03/83/13/402038313.db2.gz LYKJINDXDMZJTI-SECBINFHSA-N -1 0 321.764 2.427 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)c1cc(-c2ccccc2)on1)C1CC1 ZINC000095970319 402038465 /nfs/dbraw/zinc/03/84/65/402038465.db2.gz NKNALVDIBHPING-GFCCVEGCSA-N -1 0 300.314 2.325 50 0 DEAARM Cn1cc(CCC(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)cn1 ZINC000096476015 402093572 /nfs/dbraw/zinc/09/35/72/402093572.db2.gz CKPFOTVMZFKNOC-UHFFFAOYSA-N -1 0 307.737 2.343 50 0 DEAARM C[C@H](CCC(=O)[O-])NC(=O)Cc1ccccc1Br ZINC000097039205 402101279 /nfs/dbraw/zinc/10/12/79/402101279.db2.gz ZGPAGHXXRGUAHE-SECBINFHSA-N -1 0 314.179 2.361 50 0 DEAARM COc1ccc(S(=O)(=O)[N-]c2nccs2)c(C)c1F ZINC000097083726 402105644 /nfs/dbraw/zinc/10/56/44/402105644.db2.gz AQJQLBSFLHLTIS-UHFFFAOYSA-N -1 0 302.352 2.400 50 0 DEAARM O=S(=O)([N-]c1ccc(F)c(Cl)c1)c1cnc2n1CCC2 ZINC000097165056 402113869 /nfs/dbraw/zinc/11/38/69/402113869.db2.gz QELZARKPIJENIE-UHFFFAOYSA-N -1 0 315.757 2.423 50 0 DEAARM CS[C@@H](C)c1nc(COc2ccccc2)nn1CC(=O)[O-] ZINC000097679888 402130091 /nfs/dbraw/zinc/13/00/91/402130091.db2.gz UWRWLEVOOWHNSU-JTQLQIEISA-N -1 0 307.375 2.366 50 0 DEAARM Cc1[n-]n(Cc2ccccc2)c(=O)c1C(=O)Nc1nccs1 ZINC000101625436 402151909 /nfs/dbraw/zinc/15/19/09/402151909.db2.gz QCFDNVDPDDSKBK-LBPRGKRZSA-N -1 0 314.370 2.116 50 0 DEAARM O=C([O-])c1ccc(-c2noc(CNCc3ccncc3)n2)cc1 ZINC000067757118 402171862 /nfs/dbraw/zinc/17/18/62/402171862.db2.gz GXPYKUHNRGUDHN-UHFFFAOYSA-N -1 0 310.313 2.120 50 0 DEAARM O=C([O-])[C@H]1CCC[C@@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000070522871 402261996 /nfs/dbraw/zinc/26/19/96/402261996.db2.gz WGOLYBUDRFBARZ-IUCAKERBSA-N -1 0 302.252 2.084 50 0 DEAARM O=C(c1cccc2ccccc21)N1CC[C@H](N2C(=O)COC2=O)C1 ZINC000225702352 402322087 /nfs/dbraw/zinc/32/20/87/402322087.db2.gz BIUQHCBLCKBWBZ-ZDUSSCGKSA-N -1 0 324.336 2.033 50 0 DEAARM CCc1nnc(CN(C)Cc2ccccc2O[C@H](C)C(=O)[O-])o1 ZINC000215053978 402280784 /nfs/dbraw/zinc/28/07/84/402280784.db2.gz WZCMXKGKPSNPGL-LLVKDONJSA-N -1 0 319.361 2.116 50 0 DEAARM CCc1cc(CN(C)Cc2ccccc2OCC(=O)[O-])on1 ZINC000215583661 402284273 /nfs/dbraw/zinc/28/42/73/402284273.db2.gz JKVTVEAPLUMZMA-UHFFFAOYSA-N -1 0 304.346 2.332 50 0 DEAARM c1ccc([C@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CCO2)cc1 ZINC000215718197 402284553 /nfs/dbraw/zinc/28/45/53/402284553.db2.gz SNFRGAZWNFIVBU-QGZVFWFLSA-N -1 0 321.384 2.440 50 0 DEAARM Cc1cnn(CC(=O)N[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c1 ZINC000071843975 402287314 /nfs/dbraw/zinc/28/73/14/402287314.db2.gz XLTOIYFXXGWYBA-CYBMUJFWSA-N -1 0 321.764 2.177 50 0 DEAARM CCCC(=O)N1CCC[C@H]1C(=O)Nc1cc(C(=O)[O-])ccc1F ZINC000236688160 402374416 /nfs/dbraw/zinc/37/44/16/402374416.db2.gz OLWKKOULGWDHGC-ZDUSSCGKSA-N -1 0 322.336 2.254 50 0 DEAARM CC(C)Oc1cccc(CC(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000236754638 402380422 /nfs/dbraw/zinc/38/04/22/402380422.db2.gz WMYUNASHWCMTSN-UHFFFAOYSA-N -1 0 305.374 2.340 50 0 DEAARM CC[C@@H](C)c1ccc(S(=O)(=O)[N-]c2nc(C)nn2C)cc1 ZINC000185832928 402381219 /nfs/dbraw/zinc/38/12/19/402381219.db2.gz KHBUHDGPAGVJKI-SNVBAGLBSA-N -1 0 308.407 2.438 50 0 DEAARM C[C@@H]1CN(Cc2cc(Cl)ccc2OCC(=O)[O-])CCCO1 ZINC000244874943 402450806 /nfs/dbraw/zinc/45/08/06/402450806.db2.gz XJXRXDRSNKWOAK-LLVKDONJSA-N -1 0 313.781 2.414 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 ZINC000237994892 402430521 /nfs/dbraw/zinc/43/05/21/402430521.db2.gz NKLQGABLCODSNX-DOMZBBRYSA-N -1 0 323.364 2.353 50 0 DEAARM O=C([O-])CN(C(=O)c1ccc(-n2cccc2)c(F)c1)C1CC1 ZINC000238089259 402437658 /nfs/dbraw/zinc/43/76/58/402437658.db2.gz HOBFYPUMFZLKTR-UHFFFAOYSA-N -1 0 302.305 2.306 50 0 DEAARM O=C([O-])CCNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000238177727 402440006 /nfs/dbraw/zinc/44/00/06/402440006.db2.gz GBUXAOUYEUXJNY-ZJUUUORDSA-N -1 0 317.263 2.280 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)c2coc(-c3ccccc3)n2)C1 ZINC000178667017 402523959 /nfs/dbraw/zinc/52/39/59/402523959.db2.gz VTAOJGRUECLRJF-GFCCVEGCSA-N -1 0 300.314 2.278 50 0 DEAARM Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)[O-])cc2)n1C ZINC000263080605 402743160 /nfs/dbraw/zinc/74/31/60/402743160.db2.gz RYQISXHMOPKNLH-UHFFFAOYSA-N -1 0 302.330 2.074 50 0 DEAARM C[C@@]1(C(=O)[O-])CCCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000263116117 402744121 /nfs/dbraw/zinc/74/41/21/402744121.db2.gz XNRSMUPQFFGFCW-CYBMUJFWSA-N -1 0 316.279 2.427 50 0 DEAARM C[C@]1(C(=O)[O-])CCCN(C(=O)c2cccnc2C(F)(F)F)C1 ZINC000263116118 402744127 /nfs/dbraw/zinc/74/41/27/402744127.db2.gz XNRSMUPQFFGFCW-ZDUSSCGKSA-N -1 0 316.279 2.427 50 0 DEAARM COCC1(C)CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263335224 402759482 /nfs/dbraw/zinc/75/94/82/402759482.db2.gz NITKRAISHFQXJW-UHFFFAOYSA-N -1 0 305.374 2.202 50 0 DEAARM C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Cc1ccc2c(c1)CCC2 ZINC000263462562 402771743 /nfs/dbraw/zinc/77/17/43/402771743.db2.gz CAWUYRIQPBPWDG-BLLLJJGKSA-N -1 0 301.386 2.430 50 0 DEAARM O=C([O-])c1cnc(C(=O)N2CC3(CCC3)c3ccccc32)cn1 ZINC000263582754 402784333 /nfs/dbraw/zinc/78/43/33/402784333.db2.gz YZBWCLACAGIYQT-UHFFFAOYSA-N -1 0 309.325 2.257 50 0 DEAARM CN1C(=O)C[C@](CC(=O)[O-])(c2ccc(-c3ccccc3)cc2)C1=O ZINC000299776944 403572384 /nfs/dbraw/zinc/57/23/84/403572384.db2.gz GCOODMPGCVVGPY-IBGZPJMESA-N -1 0 323.348 2.455 50 0 DEAARM CCOc1ccc(C[C@H](CNC(=O)[C@H]2C[C@H]2C)C(=O)[O-])cc1 ZINC000583650645 405780086 /nfs/dbraw/zinc/78/00/86/405780086.db2.gz XZXMLKPGHLNZBN-KYOSRNDESA-N -1 0 305.374 2.101 50 0 DEAARM COc1ccc(CCCCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000299741608 229377977 /nfs/dbraw/zinc/37/79/77/229377977.db2.gz GURYJZIHURGQIC-AWEZNQCLSA-N -1 0 305.374 2.341 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)c2ccccc21 ZINC000299745394 229387746 /nfs/dbraw/zinc/38/77/46/229387746.db2.gz YQTBEXVDWGUCDY-GFCCVEGCSA-N -1 0 311.293 2.244 50 0 DEAARM Cc1nc(C2CCCC2)sc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000299751153 229394904 /nfs/dbraw/zinc/39/49/04/229394904.db2.gz PSXYXOFXPYRKPW-LLVKDONJSA-N -1 0 324.402 2.035 50 0 DEAARM C[C@H]1C[C@H]1COC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000119995148 424853377 /nfs/dbraw/zinc/85/33/77/424853377.db2.gz BNKLUFSZPHPSBQ-WPRPVWTQSA-N -1 0 304.371 2.035 50 0 DEAARM C[C@H](CC(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21)n1ccnc1 ZINC000653326784 425462554 /nfs/dbraw/zinc/46/25/54/425462554.db2.gz KZSJWWBGDZLINT-BYCMXARLSA-N -1 0 313.357 2.264 50 0 DEAARM Cc1ccc2[nH]c(CNC(=O)[C@H](C(=O)[O-])C(C)(C)C)nc2c1 ZINC000663040653 425784734 /nfs/dbraw/zinc/78/47/34/425784734.db2.gz DMKJVOQALIGKLX-CYBMUJFWSA-N -1 0 303.362 2.234 50 0 DEAARM CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])cc1 ZINC000000142793 278199796 /nfs/dbraw/zinc/19/97/96/278199796.db2.gz HICVGWDOEAENSY-KGLIPLIRSA-N -1 0 304.346 2.475 50 0 DEAARM CN(C)/C=C1/C(=O)c2sccc2[C@@H]1[N-]C(=O)C(F)(F)F ZINC000001386556 288929393 /nfs/dbraw/zinc/92/93/93/288929393.db2.gz CMVMKIWABGOSPV-IVGLGHLBSA-N -1 0 304.293 2.110 50 0 DEAARM COc1ccc([C@H]2CC(=O)Nc3c(C(=O)[O-])nsc32)cc1 ZINC000072139253 295247220 /nfs/dbraw/zinc/24/72/20/295247220.db2.gz CINCBNLVFSNJDJ-SECBINFHSA-N -1 0 304.327 2.324 50 0 DEAARM Cc1c2ccccc2sc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000088376157 301021619 /nfs/dbraw/zinc/02/16/19/301021619.db2.gz KZNOGOOUUTVHEF-LLVKDONJSA-N -1 0 305.355 2.135 50 0 DEAARM Cc1ccc(-n2c(=O)c3[n-][nH]n(-c4ccccc4)c=3c2=O)cc1 ZINC000004942429 301624222 /nfs/dbraw/zinc/62/42/22/301624222.db2.gz NTDTUAFZLANFCH-LSDHHAIUSA-N -1 0 306.325 2.493 50 0 DEAARM Cc1csc(NC(=O)c2c(=O)[nH]c3ccccc3c2[O-])n1 ZINC000018285911 302428639 /nfs/dbraw/zinc/42/86/39/302428639.db2.gz QZQISASCZUVXGD-UHFFFAOYSA-N -1 0 301.327 2.251 50 0 DEAARM Cn1cnc2cc(C(=O)N3CCCC[C@H]3CCC(=O)[O-])ccc21 ZINC000263454301 303024272 /nfs/dbraw/zinc/02/42/72/303024272.db2.gz UETDTTSPAQUOTH-ZDUSSCGKSA-N -1 0 315.373 2.433 50 0 DEAARM COc1ccc(-c2c(C)nn(CC(=O)[O-])c2C)c(OC)c1OC ZINC000534648742 334316820 /nfs/dbraw/zinc/31/68/20/334316820.db2.gz OTYOKWBNRBOODN-UHFFFAOYSA-N -1 0 320.345 2.277 50 0 DEAARM Cc1occc1S([O-])=CC(=O)NCc1ccc(C)c(F)c1 ZINC000189648014 334905407 /nfs/dbraw/zinc/90/54/07/334905407.db2.gz BUDUJPBTDAOTPL-OAQYLSRUSA-N -1 0 309.362 2.460 50 0 DEAARM CC(C)NC(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000071288496 517447149 /nfs/dbraw/zinc/44/71/49/517447149.db2.gz MVNSCANAADYRSI-OLZOCXBDSA-N -1 0 318.373 2.120 50 0 DEAARM C[C@@H](C(=O)[O-])N1CCO[C@H](c2ccccc2Br)C1 ZINC000299748359 563512657 /nfs/dbraw/zinc/51/26/57/563512657.db2.gz HBWAUTZMHGHSNH-CABZTGNLSA-N -1 0 314.179 2.296 50 0 DEAARM COC(=O)C[C@@H](c1c(=O)nc2ccc(Cl)cn2c1[O-])C(C)C ZINC000205979705 563592352 /nfs/dbraw/zinc/59/23/52/563592352.db2.gz GQSYZEJYZCRNPD-SNVBAGLBSA-N -1 0 324.764 2.356 50 0 DEAARM Cc1[nH]nc2ncc(NC(=O)[C@H]3CCC[C@@H](C(=O)[O-])C3)cc12 ZINC000832990396 601209532 /nfs/dbraw/zinc/20/95/32/601209532.db2.gz AGOCQEDSVGSKOW-VHSXEESVSA-N -1 0 302.334 2.096 50 0 DEAARM O=C([O-])c1ccccc1[C@H]1CCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000257372063 625392251 /nfs/dbraw/zinc/39/22/51/625392251.db2.gz KHIFGHPPEXWMFT-MELADBBJSA-N -1 0 317.385 2.252 50 0 DEAARM Cc1nc(C(=O)Nc2nnn[n-]2)c(-c2ccc(F)cc2)s1 ZINC000888103970 635583676 /nfs/dbraw/zinc/58/36/76/635583676.db2.gz PFJAKXLOEAUWPQ-UHFFFAOYSA-N -1 0 304.310 2.023 50 0 DEAARM Cc1cc([N-]S(=O)(=O)c2cn(C(C)C)cn2)c(Cl)nn1 ZINC000585129791 790325271 /nfs/dbraw/zinc/32/52/71/790325271.db2.gz WPYQLJVEZLDHDY-UHFFFAOYSA-N -1 0 315.786 2.017 50 0 DEAARM CCNC(=O)c1ccc(NC(=O)CCCC(=O)[O-])cc1Cl ZINC000952989678 792869772 /nfs/dbraw/zinc/86/97/72/792869772.db2.gz SOLZIRYTJZTMCE-UHFFFAOYSA-N -1 0 312.753 2.283 50 0 DEAARM CSc1ncc(C(=O)[O-])c(N(C)CC[C@H]2CCCCO2)n1 ZINC001529120341 1070868099 /nfs/dbraw/zinc/86/80/99/1070868099.db2.gz XCQCVUIZAKHLDB-SNVBAGLBSA-N -1 0 311.407 2.292 50 0 DEAARM O=S(=O)(C[C@H]1CCCCO1)[N-]c1ccn(-c2ccccc2)n1 ZINC000076935791 185058037 /nfs/dbraw/zinc/05/80/37/185058037.db2.gz BSTJWUAPKVJRGR-CQSZACIVSA-N -1 0 321.402 2.183 50 0 DEAARM C[C@@H](OCC1CC1)C(=O)N[C@@H](CC(=O)[O-])c1ccc(F)cc1 ZINC000095424128 185361492 /nfs/dbraw/zinc/36/14/92/185361492.db2.gz MQMSWWQDJRVAKG-YGRLFVJLSA-N -1 0 309.337 2.273 50 0 DEAARM COc1ccsc1S(=O)(=O)[N-]c1nc2ccccc2[nH]1 ZINC000095453625 185369627 /nfs/dbraw/zinc/36/96/27/185369627.db2.gz QMCRXPXHLKDCGN-UHFFFAOYSA-N -1 0 309.372 2.434 50 0 DEAARM CC(C)(C)c1noc(CCCC(=O)N2CCC[C@@H](C(=O)[O-])C2)n1 ZINC000236662053 201951760 /nfs/dbraw/zinc/95/17/60/201951760.db2.gz KXJFJVHZOTWOBN-LLVKDONJSA-N -1 0 323.393 2.013 50 0 DEAARM CC(C)Oc1ccccc1CC(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000236661979 201952417 /nfs/dbraw/zinc/95/24/17/201952417.db2.gz GZWOZHSIPYSWSM-QGZVFWFLSA-N -1 0 305.374 2.340 50 0 DEAARM COC(=O)c1ccccc1NC(=O)Cc1ccccc1C(=O)[O-] ZINC000070666508 190909754 /nfs/dbraw/zinc/90/97/54/190909754.db2.gz QGCGEEILHVNKSG-UHFFFAOYSA-N -1 0 313.309 2.353 50 0 biogenic DEAARM CC(C)NC(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000071288494 190953235 /nfs/dbraw/zinc/95/32/35/190953235.db2.gz MVNSCANAADYRSI-STQMWFEESA-N -1 0 318.373 2.120 50 0 DEAARM O=C([O-])CCCNC(=O)c1ccc(F)c(Br)c1 ZINC000224704094 539729582 /nfs/dbraw/zinc/72/95/82/539729582.db2.gz JSHOSZCUZBQKKW-UHFFFAOYSA-N -1 0 304.115 2.183 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ccc2cc[nH]c2n1 ZINC000072127089 191043884 /nfs/dbraw/zinc/04/38/84/191043884.db2.gz ATKZHYDDCHKKIH-UHFFFAOYSA-N -1 0 311.370 2.497 50 0 DEAARM COc1ccc(/C=C/CN2CCc3nc[nH]c3[C@H]2C(=O)[O-])cc1 ZINC000072433556 191164653 /nfs/dbraw/zinc/16/46/53/191164653.db2.gz YIDPMJBKQVHVOU-KZSQQDEKSA-N -1 0 313.357 2.116 50 0 DEAARM O=C([O-])C1(n2ccnc2)CCN(c2nccc3occc32)CC1 ZINC000072453716 191171214 /nfs/dbraw/zinc/17/12/14/191171214.db2.gz OWMPLMLNOYMADE-UHFFFAOYSA-N -1 0 312.329 2.105 50 0 DEAARM CC1=C(C)C[C@@H](C(=O)NCC(=O)c2ccccc2)[C@H](C(=O)[O-])C1 ZINC000000858620 180836220 /nfs/dbraw/zinc/83/62/20/180836220.db2.gz PGUVEKVRFRKTGZ-HUUCEWRRSA-N -1 0 315.369 2.433 50 0 DEAARM COc1ccc(/C=C2\SC(=O)N([C@@H](C)C(=O)[O-])C2=O)cc1 ZINC000002234163 180916350 /nfs/dbraw/zinc/91/63/50/180916350.db2.gz RONGUDWUOIRGNR-CLUBXZQOSA-N -1 0 307.327 2.205 50 0 DEAARM CC(C)(C)OC(=O)N[C@H](Cc1cnc2ccccc2n1)C(=O)[O-] ZINC000002507584 180928445 /nfs/dbraw/zinc/92/84/45/180928445.db2.gz GOPADOFTCYAWLG-CYBMUJFWSA-N -1 0 317.345 2.150 50 0 DEAARM CCCCNC(=O)CCn1c(=O)c2sccc2[n-]c1=S ZINC000002932387 353991351 /nfs/dbraw/zinc/99/13/51/353991351.db2.gz UCQMMTFAEJELFG-UHFFFAOYSA-N -1 0 311.432 2.427 50 0 DEAARM COc1ccc2c(cc(C(=O)N[C@@H](CC(C)C)C(=O)[O-])n2C)c1 ZINC000004000266 181060367 /nfs/dbraw/zinc/06/03/67/181060367.db2.gz GLAFRJJPFZLGMN-ZDUSSCGKSA-N -1 0 318.373 2.416 50 0 biogenic DEAARM CCCOc1ccc(CCC(=O)N2CC[C@@H](C(=O)[O-])C2)cc1 ZINC000236795079 202012338 /nfs/dbraw/zinc/01/23/38/202012338.db2.gz RDBFJJMDKKEABT-CQSZACIVSA-N -1 0 305.374 2.341 50 0 DEAARM CCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000004257807 181088276 /nfs/dbraw/zinc/08/82/76/181088276.db2.gz HNDQKTZUYSTLGS-UHFFFAOYSA-N -1 0 300.358 2.183 50 0 DEAARM Cc1cc(OCc2nnn[n-]2)c2c(c1)oc(=O)c1c2CCCC1 ZINC000004295086 181093614 /nfs/dbraw/zinc/09/36/14/181093614.db2.gz TVPKALLWKKKSBI-UHFFFAOYSA-N -1 0 312.329 2.072 50 0 DEAARM O=C([O-])CCCn1cc(NC(=O)c2c(F)cccc2F)cn1 ZINC000004641486 181131431 /nfs/dbraw/zinc/13/14/31/181131431.db2.gz BCBALTUMYNUUTB-UHFFFAOYSA-N -1 0 309.272 2.278 50 0 DEAARM COc1ccc(CNC(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000272347944 209741833 /nfs/dbraw/zinc/74/18/33/209741833.db2.gz CPTWBTSNPSYIHB-CHWSQXEVSA-N -1 0 321.373 2.211 50 0 DEAARM O=S(=O)(Cc1ccccc1C(F)(F)F)[N-]c1cnccn1 ZINC000097103920 355701938 /nfs/dbraw/zinc/70/19/38/355701938.db2.gz UFQOTCZMQWLBSL-UHFFFAOYSA-N -1 0 317.292 2.437 50 0 DEAARM CCOC[C@@H]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)C1 ZINC000236971245 202100860 /nfs/dbraw/zinc/10/08/60/202100860.db2.gz VXINRVFKPQNSPC-CQSZACIVSA-N -1 0 305.374 2.202 50 0 DEAARM COc1ccccc1CC(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000237122073 202158723 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Cc1nnc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)s1 ZINC000000040611 401687499 /nfs/dbraw/zinc/68/74/99/401687499.db2.gz KUALKPHPIVCZJN-UHFFFAOYSA-N -1 0 309.372 2.276 50 0 DEAARM Cc1ccc(C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])o1 ZINC000000085855 401687846 /nfs/dbraw/zinc/68/78/46/401687846.db2.gz JKKNHOYMARTPDL-CQSZACIVSA-N -1 0 312.325 2.495 50 0 biogenic DEAARM Cc1ccccc1S(=O)(=O)N[C@@H](CC(=O)[O-])c1ccccc1 ZINC000000134792 401688416 /nfs/dbraw/zinc/68/84/16/401688416.db2.gz GCGWWUMSWFCKHC-AWEZNQCLSA-N -1 0 319.382 2.489 50 0 DEAARM Cc1nc(-c2ccc(NC(=O)COCC(=O)[O-])cc2)cs1 ZINC000000146843 401688552 /nfs/dbraw/zinc/68/85/52/401688552.db2.gz WOEGSHUHAPADBW-UHFFFAOYSA-N -1 0 306.343 2.158 50 0 DEAARM CCN1C(=O)c2ccc(C(=O)c3ccc(C(=O)[O-])cc3)cc2C1=O ZINC000000210786 401690616 /nfs/dbraw/zinc/69/06/16/401690616.db2.gz LWHRMTRMDBIMNR-UHFFFAOYSA-N -1 0 323.304 2.232 50 0 DEAARM Cc1ccc(NC(=O)[C@H](CC(=O)[O-])NCc2ccco2)cc1 ZINC000000236776 401691796 /nfs/dbraw/zinc/69/17/96/401691796.db2.gz HJTPYNOUWNZJET-AWEZNQCLSA-N -1 0 302.330 2.160 50 0 DEAARM CCNc1ncc(C(=O)Nc2n[nH]c(-c3ccccn3)n2)s1 ZINC000126597985 401700510 /nfs/dbraw/zinc/70/05/10/401700510.db2.gz JIGXIVRDDSVSTE-UHFFFAOYSA-N -1 0 315.362 2.007 50 0 DEAARM Nc1c2cc(C(=O)[O-])c(=O)[nH]c2sc1C(=O)c1ccccc1 ZINC000000552573 401700950 /nfs/dbraw/zinc/70/09/50/401700950.db2.gz OJHMDRZMENMQFP-UHFFFAOYSA-N -1 0 314.322 2.101 50 0 in-vitro DEAARM COc1ccc(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1OC ZINC000000999620 401703354 /nfs/dbraw/zinc/70/33/54/401703354.db2.gz MNOZCXRIMSCLGL-QPNXVFALSA-N -1 0 319.357 2.389 50 0 DEAARM O=C([O-])[C@@H](Cc1ccc(O)cc1)NC(=O)Nc1ccccc1 ZINC000001095636 401704641 /nfs/dbraw/zinc/70/46/41/401704641.db2.gz RBZBYAASZSNZCI-CQSZACIVSA-N -1 0 300.314 2.210 50 0 DEAARM Cc1ccc(-n2cc(S(=O)(=O)[N-]c3cccnc3)cn2)cc1 ZINC000072303846 401708311 /nfs/dbraw/zinc/70/83/11/401708311.db2.gz HPHFEVZSMVOKMZ-UHFFFAOYSA-N -1 0 314.370 2.377 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)OCc1ccccc1 ZINC000002539200 401714669 /nfs/dbraw/zinc/71/46/69/401714669.db2.gz LDRWTKQWSXGSTM-LBPRGKRZSA-N -1 0 323.345 2.098 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](CC(=O)[O-])C(=O)OC1CCCCC1 ZINC000002554987 401714914 /nfs/dbraw/zinc/71/49/14/401714914.db2.gz LCROEWWBGGSFOR-NSHDSACASA-N -1 0 315.366 2.230 50 0 DEAARM CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-] ZINC000002562544 401715445 /nfs/dbraw/zinc/71/54/45/401715445.db2.gz JELADEDZLOFFTA-ZDUSSCGKSA-N -1 0 320.345 2.394 50 0 DEAARM O=C([O-])c1cccc(NC(=O)c2nn3cccnc3c2Cl)c1 ZINC000002792550 401718456 /nfs/dbraw/zinc/71/84/56/401718456.db2.gz WPDXTYSNLIIZNL-UHFFFAOYSA-N -1 0 316.704 2.333 50 0 DEAARM COc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1OC ZINC000013166231 401797290 /nfs/dbraw/zinc/79/72/90/401797290.db2.gz LVGBKQBARMUCST-UHFFFAOYSA-N -1 0 315.325 2.332 50 0 DEAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)C2CCC2)cc1OC ZINC000013182402 401797659 /nfs/dbraw/zinc/79/76/59/401797659.db2.gz ATFMVZMFJXZRRM-GFCCVEGCSA-N -1 0 307.346 2.136 50 0 DEAARM CCOc1ccccc1/C=C/C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000013171201 401797836 /nfs/dbraw/zinc/79/78/36/401797836.db2.gz LPZMMHBEHUXQOT-ATWMFIQVSA-N -1 0 303.358 2.422 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 ZINC000075125336 401750545 /nfs/dbraw/zinc/75/05/45/401750545.db2.gz ZSJROYUJIQSIJU-AWEZNQCLSA-N -1 0 324.336 2.127 50 0 DEAARM O=C([O-])c1csc(S(=O)(=O)N2CCc3ccccc3C2)c1 ZINC000009576714 401764228 /nfs/dbraw/zinc/76/42/28/401764228.db2.gz XYCHCSLSTDVJRY-UHFFFAOYSA-N -1 0 323.395 2.193 50 0 DEAARM O=C([O-])c1ccccc1OCC(=O)NCc1ccc(F)cc1 ZINC000013080229 401796063 /nfs/dbraw/zinc/79/60/63/401796063.db2.gz YMGGGLODONCCIW-UHFFFAOYSA-N -1 0 303.289 2.219 50 0 DEAARM Cc1[nH]c2ccccc2c1[C@H](C(=O)[O-])[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000020739824 401825246 /nfs/dbraw/zinc/82/52/46/401825246.db2.gz WKHDPFOTIHCPEB-IAQYHMDHSA-N -1 0 316.357 2.399 50 0 DEAARM COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])C12CCCC2 ZINC000026511204 401840988 /nfs/dbraw/zinc/84/09/88/401840988.db2.gz NQJLEFPWJXQZDX-AWEZNQCLSA-N -1 0 303.358 2.270 50 0 biogenic DEAARM CSCCCNc1nccc(-c2cc(C(=O)[O-])ccn2)n1 ZINC000077356811 401812071 /nfs/dbraw/zinc/81/20/71/401812071.db2.gz ZNULYZDUJTYNLS-UHFFFAOYSA-N -1 0 304.375 2.402 50 0 DEAARM O=C(CSc1n[n-]c(=S)s1)NCC1(C2CC2)CC1 ZINC000119122914 401927333 /nfs/dbraw/zinc/92/73/33/401927333.db2.gz ZQZYDZZASYERNR-UHFFFAOYSA-N -1 0 301.462 2.225 50 0 DEAARM O=C([O-])CCc1nnc2ccc(NC3CCCCCC3)nn21 ZINC000032104678 401876265 /nfs/dbraw/zinc/87/62/65/401876265.db2.gz IZMLTMTUTMLLDK-UHFFFAOYSA-N -1 0 303.366 2.276 50 0 DEAARM CCC[C@@H](C)NC(=O)Nc1cc(S(=O)(=O)CC)ccc1[O-] ZINC000032795135 401883224 /nfs/dbraw/zinc/88/32/24/401883224.db2.gz YCCUPBSXESSJEU-SNVBAGLBSA-N -1 0 314.407 2.496 50 0 DEAARM COC(=O)c1ccc(C=C(Sc2nc(C)n[nH]2)C(=O)[O-])cc1 ZINC000033323039 401890112 /nfs/dbraw/zinc/89/01/12/401890112.db2.gz NDDKCOUDSWXRLW-XFFZJAGNSA-N -1 0 319.342 2.118 50 0 DEAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2cccnc2)c1C ZINC000035480227 401899499 /nfs/dbraw/zinc/89/94/99/401899499.db2.gz NCZXVLFYDQBCTB-UHFFFAOYSA-N -1 0 323.374 2.004 50 0 DEAARM O=C([O-])c1ccc(CNC(=O)c2cccc3c2OCCO3)cc1 ZINC000084358429 401904891 /nfs/dbraw/zinc/90/48/91/401904891.db2.gz UOFUEMCJYFEODP-UHFFFAOYSA-N -1 0 313.309 2.086 50 0 DEAARM CCCN(CC(=O)[O-])S(=O)(=O)c1ccc2ccccc2c1 ZINC000038020835 401920472 /nfs/dbraw/zinc/92/04/72/401920472.db2.gz RRRRPHHULGUTFS-UHFFFAOYSA-N -1 0 307.371 2.325 50 0 DEAARM O=C(NCc1cccnc1)c1csc([N-]c2ncccn2)n1 ZINC000049032178 402010904 /nfs/dbraw/zinc/01/09/04/402010904.db2.gz PINSHHCKKXSAPW-UHFFFAOYSA-N -1 0 312.358 2.002 50 0 DEAARM COc1ccc(-c2ccc(N3CCC[C@H](C(=O)[O-])C3)nn2)cc1 ZINC000049455627 402018118 /nfs/dbraw/zinc/01/81/18/402018118.db2.gz PJIXQZBMBJQRHW-ZDUSSCGKSA-N -1 0 313.357 2.453 50 0 DEAARM CC(C)(C)OC(=O)NCCn1cnc2cc(C(=O)[O-])ccc21 ZINC000095215908 402025642 /nfs/dbraw/zinc/02/56/42/402025642.db2.gz SXLSHXGYRKRZHL-UHFFFAOYSA-N -1 0 305.334 2.259 50 0 DEAARM COc1cccc(NC(=O)c2c[n-]c3nc(C)ccc3c2=O)c1 ZINC000049002174 402010599 /nfs/dbraw/zinc/01/05/99/402010599.db2.gz QDKDWVMRJNYMRM-UHFFFAOYSA-N -1 0 309.325 2.492 50 0 DEAARM O=C([O-])C1=CSc2[nH]c(=O)sc2[C@@H]1c1ccccc1O ZINC000096318908 402077448 /nfs/dbraw/zinc/07/74/48/402077448.db2.gz IYJBMDHHLVWQLM-SECBINFHSA-N -1 0 307.352 2.348 50 0 DEAARM CCSc1nc(CC(=O)N2CCCC[C@H]2C(=O)[O-])cs1 ZINC000055415056 402081861 /nfs/dbraw/zinc/08/18/61/402081861.db2.gz ARSPIHYUNJXFAF-JTQLQIEISA-N -1 0 314.432 2.263 50 0 DEAARM O=C([O-])C[C@@H](NC(=O)c1ccon1)c1ccc(Cl)c(F)c1 ZINC000097036503 402100897 /nfs/dbraw/zinc/10/08/97/402100897.db2.gz JOWLLNJLPPGGKB-LLVKDONJSA-N -1 0 312.684 2.413 50 0 DEAARM Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NC[C@H](C)C(=O)[O-] ZINC000097035982 402100970 /nfs/dbraw/zinc/10/09/70/402100970.db2.gz QTZQHVRBNACPAL-VIFPVBQESA-N -1 0 321.764 2.285 50 0 DEAARM Cc1[n-]n(-c2ccccc2)c(=O)c1NC(=O)C1(O)CCCCC1 ZINC000097098041 402106993 /nfs/dbraw/zinc/10/69/93/402106993.db2.gz LZPOQFWGVBAPOG-UHFFFAOYSA-N -1 0 315.373 2.108 50 0 DEAARM COc1ccccc1-c1ccc(N2CCC(C(=O)[O-])CC2)nn1 ZINC000061966108 402108956 /nfs/dbraw/zinc/10/89/56/402108956.db2.gz DPHRWFYHCLPANI-UHFFFAOYSA-N -1 0 313.357 2.453 50 0 DEAARM Cc1noc(C)c1S(=O)(=O)[N-]c1nc(C)c2c(n1)CCCC2 ZINC000097114371 402109403 /nfs/dbraw/zinc/10/94/03/402109403.db2.gz CZULFDOLYIBKOG-UHFFFAOYSA-N -1 0 322.390 2.069 50 0 DEAARM CCn1cc(CN(C)Cc2ccon2)c2cc(C(=O)[O-])ncc21 ZINC000097569029 402127482 /nfs/dbraw/zinc/12/74/82/402127482.db2.gz WHAANTLUGDCRIW-UHFFFAOYSA-N -1 0 314.345 2.374 50 0 DEAARM CCCCNC(=O)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662760 402142147 /nfs/dbraw/zinc/14/21/47/402142147.db2.gz GPRBCSAPOLEMES-UHFFFAOYSA-N -1 0 300.358 2.183 50 0 biogenic DEAARM O=C([O-])[C@@H]1CCC[C@H]1NC(=O)c1ccc(C(F)(F)F)nc1 ZINC000070522872 402261918 /nfs/dbraw/zinc/26/19/18/402261918.db2.gz WGOLYBUDRFBARZ-RKDXNWHRSA-N -1 0 302.252 2.084 50 0 DEAARM CC(=O)c1cc(NC(=O)Cc2ccccc2C(=O)[O-])ccc1O ZINC000071287977 402272109 /nfs/dbraw/zinc/27/21/09/402272109.db2.gz CDTWOBCIIUXXKO-UHFFFAOYSA-N -1 0 313.309 2.474 50 0 DEAARM CC[C@H](C)[C@H](NC(=O)Cn1ccc2c1cccc2OC)C(=O)[O-] ZINC000071745188 402276675 /nfs/dbraw/zinc/27/66/75/402276675.db2.gz OROURRBWEMFANE-ZBEGNZNMSA-N -1 0 318.373 2.265 50 0 DEAARM c1ccc([C@@H]2CN(Cc3ccc(-c4nn[nH]n4)cc3)CCO2)cc1 ZINC000215718149 402284529 /nfs/dbraw/zinc/28/45/29/402284529.db2.gz SNFRGAZWNFIVBU-KRWDZBQOSA-N -1 0 321.384 2.440 50 0 DEAARM O=C([O-])Cc1ccc(-c2cccc(CN3CCOCC3)c2)nc1 ZINC000215688306 402284768 /nfs/dbraw/zinc/28/47/68/402284768.db2.gz CDEUMGCICOKHSZ-UHFFFAOYSA-N -1 0 312.369 2.208 50 0 DEAARM Cc1nn(CCC(=O)N[C@H](CC(=O)[O-])CC(C)C)c(C)c1C ZINC000222267421 402306133 /nfs/dbraw/zinc/30/61/33/402306133.db2.gz KYRCAXXOHXNOSE-AWEZNQCLSA-N -1 0 309.410 2.204 50 0 DEAARM C/C(=C/C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccccc1Cl ZINC000236628216 402369360 /nfs/dbraw/zinc/36/93/60/402369360.db2.gz LAUAWXHOVJYILI-KGTBHZDVSA-N -1 0 323.776 2.445 50 0 DEAARM CC(C)(C)n1cc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cn1 ZINC000236762426 402381121 /nfs/dbraw/zinc/38/11/21/402381121.db2.gz AGCVXMXITIVHKP-GFCCVEGCSA-N -1 0 307.394 2.355 50 0 DEAARM Cc1cc(=O)c(C(=O)Nc2ccc3[n-]c(=S)oc3c2)c[nH]1 ZINC000163659398 402454725 /nfs/dbraw/zinc/45/47/25/402454725.db2.gz ZGVSSHHNJVNCPP-UHFFFAOYSA-N -1 0 301.327 2.366 50 0 DEAARM CC(=O)c1c[nH]c(C(=O)N(C)Cc2cc(C(=O)[O-])c(C)o2)c1 ZINC000190890103 402629901 /nfs/dbraw/zinc/62/99/01/402629901.db2.gz LWLPZLNKGPBGGZ-UHFFFAOYSA-N -1 0 304.302 2.089 50 0 DEAARM COc1ccc(CN=Nc2nc(C(=O)[O-])cs2)cc1OC ZINC000252621681 402659391 /nfs/dbraw/zinc/65/93/91/402659391.db2.gz NEMJENJUHSKTBH-UHFFFAOYSA-N -1 0 307.331 2.305 50 0 DEAARM Cc1nc2ccccc2c(=O)n1N=Cc1ccc(C(=O)[O-])cc1 ZINC000254398643 402670603 /nfs/dbraw/zinc/67/06/03/402670603.db2.gz PABRJCUBDYDXOW-UHFFFAOYSA-N -1 0 307.309 2.285 50 0 DEAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H](C)C1CCOCC1 ZINC000263314537 402757616 /nfs/dbraw/zinc/75/76/16/402757616.db2.gz YNEGNHOYJNVWKS-GFCCVEGCSA-N -1 0 321.373 2.460 50 0 DEAARM Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])nc1C ZINC000263462238 402771612 /nfs/dbraw/zinc/77/16/12/402771612.db2.gz VWMDPYBRCLDTPT-CYBMUJFWSA-N -1 0 305.378 2.261 50 0 DEAARM O=C([O-])C1CCC(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)CC1 ZINC000271254085 403283294 /nfs/dbraw/zinc/28/32/94/403283294.db2.gz LCRPJTZKCOMEEJ-WIQPZXRYSA-N -1 0 323.776 2.403 50 0 DEAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3ccsc3)sc2C(=O)C1 ZINC000299763156 403567956 /nfs/dbraw/zinc/56/79/56/403567956.db2.gz PGZYHYPSBZNBRW-SSDOTTSWSA-N -1 0 322.367 2.287 50 0 DEAARM O=C([O-])[C@@H]1Cc2nc(NC(=O)c3cccs3)sc2C(=O)C1 ZINC000299786060 403574325 /nfs/dbraw/zinc/57/43/25/403574325.db2.gz PAPBAQCQTKHRIR-ZCFIWIBFSA-N -1 0 322.367 2.287 50 0 DEAARM COCc1nc(=NC(=O)[C@]2(C)CCc3ccccc3C2)s[n-]1 ZINC000329614814 404394507 /nfs/dbraw/zinc/39/45/07/404394507.db2.gz DAQCIQPZNPVPPZ-MRXNPFEDSA-N -1 0 317.414 2.240 50 0 DEAARM Cc1cc(C)n(CCN(C)C(=O)N[C@@H](CC(=O)[O-])CC(C)C)n1 ZINC000426502882 405364978 /nfs/dbraw/zinc/36/49/78/405364978.db2.gz JQJYVVZCCCTHMP-CQSZACIVSA-N -1 0 324.425 2.031 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2c[nH]nc2-c2ccccc2)C1 ZINC000426552393 405368504 /nfs/dbraw/zinc/36/85/04/405368504.db2.gz WFOJWJAXLYGXAS-QWHCGFSZSA-N -1 0 313.357 2.194 50 0 DEAARM COc1cc(F)ccc1[N-]S(=O)(=O)C[C@@H](OC)C1CC1 ZINC000580429929 405613232 /nfs/dbraw/zinc/61/32/32/405613232.db2.gz LEIPPMFRXRSYTN-CYBMUJFWSA-N -1 0 303.355 2.001 50 0 DEAARM O=C([O-])[C@H]1CCCCN1C(=O)Cc1coc(-c2cccs2)n1 ZINC000136512278 196539501 /nfs/dbraw/zinc/53/95/01/196539501.db2.gz VINBPBBWHCNCAF-LLVKDONJSA-N -1 0 320.370 2.411 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)[N-]c2ncnc3[nH]cnc32)cc1C ZINC000028249451 418413415 /nfs/dbraw/zinc/41/34/15/418413415.db2.gz JTTACRWHOKDCCI-UHFFFAOYSA-N -1 0 317.374 2.079 50 0 DEAARM COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1ccc(C)cn1 ZINC000069675080 418488575 /nfs/dbraw/zinc/48/85/75/418488575.db2.gz PHBHXEFPPJMSJT-UHFFFAOYSA-N -1 0 320.370 2.286 50 0 DEAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)c2ccccc21 ZINC000299743199 229381051 /nfs/dbraw/zinc/38/10/51/229381051.db2.gz MNQIBZGPVVHDIZ-CQSZACIVSA-N -1 0 309.321 2.450 50 0 DEAARM Cc1ccc([C@@H]2OCCC[C@H]2C(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000299744443 229384805 /nfs/dbraw/zinc/38/48/05/229384805.db2.gz SFGXOBCDWAFSGD-XHSDSOJGSA-N -1 0 317.385 2.396 50 0 DEAARM CCO[N-]C(=O)Cn1c(=O)sc(C)c1-c1ccc(F)cc1 ZINC000047064310 424823328 /nfs/dbraw/zinc/82/33/28/424823328.db2.gz QIQAFRCIEUSPOO-UHFFFAOYSA-N -1 0 310.350 2.092 50 0 DEAARM COc1ccc(C([O-])=CC(=O)C(=O)Nc2ccccc2O)cc1 ZINC000101354989 424846505 /nfs/dbraw/zinc/84/65/05/424846505.db2.gz MYDHCKAZKMSPIS-UHFFFAOYSA-N -1 0 313.309 2.181 50 0 DEAARM COc1cccc(C(=O)NC2(CC(=O)[O-])CCCCC2)c1O ZINC000316042394 424897815 /nfs/dbraw/zinc/89/78/15/424897815.db2.gz DIARIERMFKLVNY-UHFFFAOYSA-N -1 0 307.346 2.308 50 0 DEAARM CC(C)[C@@H]1CCO[C@@H]1C(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000649249251 424977551 /nfs/dbraw/zinc/97/75/51/424977551.db2.gz ZZMQOMYKXDPWBG-RLFYNMQTSA-N -1 0 319.401 2.206 50 0 DEAARM COc1cccc([C@H](NC(=O)c2ccn(C(C)C)n2)C(=O)[O-])c1 ZINC000659175741 425541427 /nfs/dbraw/zinc/54/14/27/425541427.db2.gz RJVIYQFEYDRAQU-AWEZNQCLSA-N -1 0 317.345 2.028 50 0 DEAARM CO[C@](C)(C(=O)[O-])C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000663092056 425795300 /nfs/dbraw/zinc/79/53/00/425795300.db2.gz SOKCLGHYJGGMOQ-HNNXBMFYSA-N -1 0 309.366 2.276 50 0 DEAARM CC(C)[C@@H]1OCC[C@H]1C(=O)N[C@](C)(C(=O)[O-])c1ccccc1 ZINC000663142712 425805703 /nfs/dbraw/zinc/80/57/03/425805703.db2.gz XPUHJQOIHJYLAA-KEYYUXOJSA-N -1 0 305.374 2.164 50 0 DEAARM Cn1c([O-])c(Cc2c(Cl)cccc2Cl)c(=O)n(C)c1=O ZINC000001406454 289791117 /nfs/dbraw/zinc/79/11/17/289791117.db2.gz BUHGHPQAQWDJEF-UHFFFAOYSA-N -1 0 315.156 2.203 50 0 DEAARM C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC000017066422 298309636 /nfs/dbraw/zinc/30/96/36/298309636.db2.gz YMCGXWGTTVUHNF-QMMMGPOBSA-N -1 0 324.402 2.165 50 0 DEAARM Cc1cc(C(=O)[O-])c(C)n1-c1ccc(N2CCOCC2)nc1 ZINC000015861533 301150974 /nfs/dbraw/zinc/15/09/74/301150974.db2.gz SLDCJYCAVMQSBY-UHFFFAOYSA-N -1 0 301.346 2.024 50 0 DEAARM Cc1cc2c(c(=O)o1)[C@@H](c1ccc(C(=O)[O-])cc1)CC(=O)O2 ZINC000217956574 301436021 /nfs/dbraw/zinc/43/60/21/301436021.db2.gz CNQAMSYKSMCPKJ-LLVKDONJSA-N -1 0 300.266 2.087 50 0 biogenic DEAARM Cn1cc(Cl)cc1C(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000192980449 302914026 /nfs/dbraw/zinc/91/40/26/302914026.db2.gz VWOVCHAWEVMXIK-AWEZNQCLSA-N -1 0 318.760 2.330 50 0 DEAARM O=C([O-])c1ccccc1N1C(=O)[C@@H]2CC(Cl)=CC[C@@H]2C1=O ZINC000018190098 331577847 /nfs/dbraw/zinc/57/78/47/331577847.db2.gz KWSVYBROBOEDLZ-GXSJLCMTSA-N -1 0 305.717 2.407 50 0 DEAARM O=C([O-])CCc1nc2ccccc2c2nc(-c3cccnc3)nn21 ZINC000408525776 534497384 /nfs/dbraw/zinc/49/73/84/534497384.db2.gz DNAPHNVSUMSGOQ-UHFFFAOYSA-N -1 0 319.324 2.357 50 0 DEAARM CO[C@H](CNC(=O)[C@@H](C)Sc1ccc(Cl)cc1)C(=O)[O-] ZINC000227267243 523944507 /nfs/dbraw/zinc/94/45/07/523944507.db2.gz OLVXPGJHMJWAHA-LDYMZIIASA-N -1 0 317.794 2.036 50 0 DEAARM CC(C)Oc1ccc([N-]S(=O)(=O)Cc2ccccc2)nn1 ZINC000194982299 528199490 /nfs/dbraw/zinc/19/94/90/528199490.db2.gz AZGJATFYMYBXIO-UHFFFAOYSA-N -1 0 307.375 2.206 50 0 DEAARM COc1c(Cl)cc(C(=O)NC2(C(=O)[O-])CC2)cc1Cl ZINC000203652231 563822293 /nfs/dbraw/zinc/82/22/93/563822293.db2.gz LFFNHDSDQDFJSJ-UHFFFAOYSA-N -1 0 304.129 2.349 50 0 DEAARM CCCc1nc(CN(CC)Cc2ccc(O)c(C(=O)[O-])c2)no1 ZINC000055225600 646419999 /nfs/dbraw/zinc/41/99/99/646419999.db2.gz RNTBNLSBVHPOCN-UHFFFAOYSA-N -1 0 319.361 2.448 50 0 DEAARM Cc1n[nH]c(C)c1[C@H](C(=O)[O-])n1cc(C2CCCCC2)nn1 ZINC000091665814 684037751 /nfs/dbraw/zinc/03/77/51/684037751.db2.gz OMPYTIROCSYJLE-CQSZACIVSA-N -1 0 303.366 2.340 50 0 DEAARM O=C([O-])C[C@H]1CCCCN1S(=O)(=O)c1sccc1Cl ZINC000864095859 686619524 /nfs/dbraw/zinc/61/95/24/686619524.db2.gz ITAZMBOPVJRHGB-MRVPVSSYSA-N -1 0 323.823 2.419 50 0 DEAARM O=C([O-])[C@H](NC(=O)OCc1ccccc1)[C@H]1CCCC(=O)C1 ZINC000226812857 781866519 /nfs/dbraw/zinc/86/65/19/781866519.db2.gz VFOVLFGRGZCFOP-GXTWGEPZSA-N -1 0 305.330 2.125 50 0 DEAARM CC[C@@H](NC(=O)c1cc(OC)cc(C(=O)[O-])c1)c1ccnn1C ZINC000426497340 529665144 /nfs/dbraw/zinc/66/51/44/529665144.db2.gz YSIKXNDYZIROEO-CYBMUJFWSA-N -1 0 317.345 2.008 50 0 DEAARM CC(C)CN(CC(=O)[O-])C(=O)c1coc(Br)c1 ZINC000096999751 185395993 /nfs/dbraw/zinc/39/59/93/185395993.db2.gz VTHMXPQPPKLNBA-UHFFFAOYSA-N -1 0 304.140 2.225 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)COc2ccc(F)c(Cl)c2)C1 ZINC000095424092 185361485 /nfs/dbraw/zinc/36/14/85/185361485.db2.gz YJRDQBYCSAJJGY-SECBINFHSA-N -1 0 315.728 2.181 50 0 DEAARM NC(=O)C[C@@H]1CCCCN1C(=O)c1cc(F)cc(Cl)c1[O-] ZINC000095450613 185368911 /nfs/dbraw/zinc/36/89/11/185368911.db2.gz JLSXNABEHFAEQU-VIFPVBQESA-N -1 0 314.744 2.055 50 0 DEAARM CC(C)NC(=O)/C(C#N)=C\c1cccc(OC(F)(F)C(=O)[O-])c1 ZINC000069927634 539345685 /nfs/dbraw/zinc/34/56/85/539345685.db2.gz ZRUTWNUNALLFAV-WDZFZDKYSA-N -1 0 324.283 2.174 50 0 DEAARM C[C@@](NC(=O)NCc1ccccc1F)(C(=O)[O-])c1ccco1 ZINC000078254021 539366202 /nfs/dbraw/zinc/36/62/02/539366202.db2.gz VXPCKZVWLMVECR-HNNXBMFYSA-N -1 0 306.293 2.218 50 0 DEAARM Cc1ccccc1S(=O)(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000070463089 190899895 /nfs/dbraw/zinc/89/98/95/190899895.db2.gz COZYNQYWJHJZAA-CYBMUJFWSA-N -1 0 311.403 2.261 50 0 DEAARM O=S(=O)(NC1(c2noc(C3CC3)n2)CCCC1)c1ccco1 ZINC000188743443 539684033 /nfs/dbraw/zinc/68/40/33/539684033.db2.gz SLCYWDOTWOYHFB-UHFFFAOYSA-N -1 0 323.374 2.288 50 0 DEAARM O=C([O-])c1ccccc1C=NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000252475082 539784404 /nfs/dbraw/zinc/78/44/04/539784404.db2.gz SHSMCSZAMOWQAY-UHFFFAOYSA-N -1 0 313.269 2.057 50 0 DEAARM CCc1nc(CC(=O)NCc2ccc(C(=O)[O-])cc2)cs1 ZINC000072291185 191109140 /nfs/dbraw/zinc/10/91/40/191109140.db2.gz HYJHCOSFCVHYOT-UHFFFAOYSA-N -1 0 304.371 2.263 50 0 DEAARM O=C([O-])C[C@@H]1CCCN1C(=O)c1cccc([C@H]2CCOC2)c1 ZINC000262866093 186315687 /nfs/dbraw/zinc/31/56/87/186315687.db2.gz FPPUJWNITWCMRN-GJZGRUSLSA-N -1 0 303.358 2.270 50 0 DEAARM C[C@@H](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)CCCC(=O)N2 ZINC000227169573 295831202 /nfs/dbraw/zinc/83/12/02/295831202.db2.gz DVIUJYNPXJMKLC-SNVBAGLBSA-N -1 0 304.346 2.401 50 0 DEAARM COc1cnc(SC)nc1[N-]S(=O)(=O)c1ccccc1 ZINC000000392457 180775587 /nfs/dbraw/zinc/77/55/87/180775587.db2.gz DWSSVXGSTJHOTL-UHFFFAOYSA-N -1 0 311.388 2.008 50 0 DEAARM CCNc1nc([N-]c2nc(C)c(C(C)=O)s2)nc(NCC)n1 ZINC000000098983 353989802 /nfs/dbraw/zinc/98/98/02/353989802.db2.gz QZVBWKIFNKHHID-UHFFFAOYSA-N -1 0 321.410 2.446 50 0 DEAARM O=C([O-])c1cccc(NC(=O)c2cc(=O)[nH]c3ccccc32)c1 ZINC000003888364 181052822 /nfs/dbraw/zinc/05/28/22/181052822.db2.gz KNOMAJGTMGMTLM-UHFFFAOYSA-N -1 0 308.293 2.479 50 0 DEAARM COC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCCC2 ZINC000004614042 181129672 /nfs/dbraw/zinc/12/96/72/181129672.db2.gz DPFGBWHNUMMBNF-BQYQJAHWSA-N -1 0 323.370 2.383 50 0 DEAARM O=C([O-])C=C1CC(=O)N(c2ncc(C(F)(F)F)cc2Cl)N1 ZINC000037399609 304044126 /nfs/dbraw/zinc/04/41/26/304044126.db2.gz TVHIZACBZFKAKL-UHFFFAOYSA-N -1 0 321.642 2.321 50 0 DEAARM CN(Cc1cccc2cnccc21)C(=O)CCc1cc(=O)[n-]o1 ZINC000077343350 191696402 /nfs/dbraw/zinc/69/64/02/191696402.db2.gz TWVJVBJXZHWCLP-UHFFFAOYSA-N -1 0 311.341 2.107 50 0 DEAARM CC(C)(NC(=O)c1ccc(Oc2ccccc2)o1)c1nnn[n-]1 ZINC000195534154 356255595 /nfs/dbraw/zinc/25/55/95/356255595.db2.gz QEVJQWSQSRLUBE-UHFFFAOYSA-N -1 0 313.317 2.250 50 0 DEAARM CCc1[nH]nc([N-]S(=O)(=O)c2sc(C)nc2C)c1C ZINC000195573257 356258929 /nfs/dbraw/zinc/25/89/29/356258929.db2.gz PFCSHPNVNLAAAX-UHFFFAOYSA-N -1 0 300.409 2.155 50 0 DEAARM COc1ccc(C[C@@H](C)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237217368 202193179 /nfs/dbraw/zinc/19/31/79/202193179.db2.gz QSOOEJVKXUFPKB-PXAZEXFGSA-N -1 0 305.374 2.197 50 0 DEAARM COc1ccc(C[C@H](C)C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000237229719 202196669 /nfs/dbraw/zinc/19/66/69/202196669.db2.gz QSOOEJVKXUFPKB-SJCJKPOMSA-N -1 0 305.374 2.197 50 0 DEAARM C[C@H](C(=O)N(CC(=O)[O-])C1CCOCC1)c1cccc(F)c1 ZINC000237400721 202254500 /nfs/dbraw/zinc/25/45/00/202254500.db2.gz IFMCWWUVGHUSIP-NSHDSACASA-N -1 0 309.337 2.021 50 0 DEAARM C[C@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCO[C@@H]1C1CC1 ZINC000668315905 540646118 /nfs/dbraw/zinc/64/61/18/540646118.db2.gz WBBIDDIKZVVEBO-AEFFLSMTSA-N -1 0 317.385 2.391 50 0 DEAARM C[C@@H](CSC(=O)C(C)(C)C)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000095918248 295999582 /nfs/dbraw/zinc/99/95/82/295999582.db2.gz PGOYKDKWLOXKLC-VHSXEESVSA-N -1 0 301.408 2.004 50 0 DEAARM Cc1ccc(CCCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)s1 ZINC000237692258 202329786 /nfs/dbraw/zinc/32/97/86/202329786.db2.gz IJLSJZAVBFDNQU-LBPRGKRZSA-N -1 0 311.403 2.081 50 0 DEAARM Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)sc2cccc(F)c12 ZINC000237760052 202349012 /nfs/dbraw/zinc/34/90/12/202349012.db2.gz AXBFMRRKDKAUGF-SNVBAGLBSA-N -1 0 323.345 2.274 50 0 DEAARM Cc1c(C(=O)NC2(C(=O)[O-])CCC2)cnn1-c1ccccc1F ZINC000237769018 202350843 /nfs/dbraw/zinc/35/08/43/202350843.db2.gz UKHRALAIPZFFSO-UHFFFAOYSA-N -1 0 317.320 2.057 50 0 DEAARM Cc1cc(C)c(C)c(OCCC(=O)N2CC[C@H](C(=O)[O-])C2)c1 ZINC000237807155 202360063 /nfs/dbraw/zinc/36/00/63/202360063.db2.gz ZVOSDWOWMFADSB-AWEZNQCLSA-N -1 0 305.374 2.314 50 0 DEAARM Cc1cc2c(cc1C)O[C@@H](C(=O)NCc1ccc(C(=O)[O-])o1)C2 ZINC000237899844 202383602 /nfs/dbraw/zinc/38/36/02/202383602.db2.gz CUVPLDZHEDWQPJ-OAHLLOKOSA-N -1 0 315.325 2.215 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)c1ccc(F)c(COCC2CC2)c1 ZINC000238081662 202436966 /nfs/dbraw/zinc/43/69/66/202436966.db2.gz FHYCJQHYZCAHRX-OAHLLOKOSA-N -1 0 321.348 2.442 50 0 DEAARM CO[C@@H](C(=O)NC[C@@H](C(=O)[O-])c1ccccc1)c1ccccc1 ZINC000239475400 202452898 /nfs/dbraw/zinc/45/28/98/202452898.db2.gz AOBAYGWBUYYXCG-HZPDHXFCSA-N -1 0 313.353 2.359 50 0 DEAARM Cc1n[nH]c(SC(=Cc2ccc3c(c2)OCO3)C(=O)[O-])n1 ZINC000006129888 181315335 /nfs/dbraw/zinc/31/53/35/181315335.db2.gz SSYSATUFBDSWML-WZUFQYTHSA-N -1 0 305.315 2.060 50 0 DEAARM CC[C@H](C)[C@@H](NC(=O)c1ccc(C(=O)[O-])cn1)C(F)(F)F ZINC000630301074 367581590 /nfs/dbraw/zinc/58/15/90/367581590.db2.gz CZGVPHZIKCRIDF-OIBJUYFYSA-N -1 0 304.268 2.487 50 0 DEAARM Cc1nn(CCC(=O)[O-])c(C)c1NC(=O)Cc1cccc(F)c1 ZINC000630334206 367597814 /nfs/dbraw/zinc/59/78/14/367597814.db2.gz XHBZNJHEVNFINA-UHFFFAOYSA-N -1 0 319.336 2.295 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc2n[nH]cc2c1 ZINC000299745402 304149138 /nfs/dbraw/zinc/14/91/38/304149138.db2.gz YUCHGNDOISOIET-KMUNFCNLSA-N -1 0 313.357 2.421 50 0 DEAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1Cc1coc(-c2ccccc2)n1 ZINC000097575027 304150726 /nfs/dbraw/zinc/15/07/26/304150726.db2.gz OKNJGXUTNQRLAC-HNNXBMFYSA-N -1 0 324.340 2.076 50 0 DEAARM Cc1cc(NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])ccc1OC1CCOCC1 ZINC000262468971 203301895 /nfs/dbraw/zinc/30/18/95/203301895.db2.gz ZMZOQBHOXGQKBR-KGLIPLIRSA-N -1 0 319.357 2.212 50 0 DEAARM CC(C)N(CC(=O)[O-])C(=O)[C@@H]1C[C@]12CCOc1ccccc12 ZINC000262740363 203395954 /nfs/dbraw/zinc/39/59/54/203395954.db2.gz AFBFFLVQQXWPHS-GUYCJALGSA-N -1 0 303.358 2.048 50 0 DEAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccnc(C2CC2)n1 ZINC000299748272 304153120 /nfs/dbraw/zinc/15/31/20/304153120.db2.gz GQQQGXNVAAPMGD-HNNXBMFYSA-N -1 0 323.352 2.006 50 0 DEAARM O=C([O-])c1ccc(NC2=CC(=O)N(Cc3ccccc3)C2=O)cc1 ZINC000011027678 181683696 /nfs/dbraw/zinc/68/36/96/181683696.db2.gz USHVQKMTNWGFQA-UHFFFAOYSA-N -1 0 322.320 2.250 50 0 DEAARM O=C([O-])c1cccnc1SCC(=O)c1ccc2c(c1)OCO2 ZINC000012249819 181744398 /nfs/dbraw/zinc/74/43/98/181744398.db2.gz HASPLWYWDPMVFQ-UHFFFAOYSA-N -1 0 317.322 2.484 50 0 DEAARM CC1CCN(S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)CC1 ZINC000013087435 181827093 /nfs/dbraw/zinc/82/70/93/181827093.db2.gz YFECFUDMLXJKMU-UHFFFAOYSA-N -1 0 311.403 2.124 50 0 DEAARM O=S(=O)([N-]c1ccc2c(c1)OCO2)c1cc(F)cc(F)c1 ZINC000016099444 182034335 /nfs/dbraw/zinc/03/43/35/182034335.db2.gz KCBHXJORCLXNPN-UHFFFAOYSA-N -1 0 313.281 2.494 50 0 DEAARM COc1cc(/C=C\C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc(OC)c1 ZINC000492590019 249095234 /nfs/dbraw/zinc/09/52/34/249095234.db2.gz KPDYEWLKLBSRAY-CFHLNLSMSA-N -1 0 319.357 2.040 50 0 DEAARM CC(=O)c1ccc(C[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1 ZINC000040710611 183121791 /nfs/dbraw/zinc/12/17/91/183121791.db2.gz YVBRFBNRDRVUAF-CYBMUJFWSA-N -1 0 307.346 2.410 50 0 DEAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccnc(C2CC2)n1 ZINC000299748273 304207424 /nfs/dbraw/zinc/20/74/24/304207424.db2.gz GQQQGXNVAAPMGD-OAHLLOKOSA-N -1 0 323.352 2.006 50 0 DEAARM CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000041543263 183201119 /nfs/dbraw/zinc/20/11/19/183201119.db2.gz JDQPRLKFKXTIPF-LLVKDONJSA-N -1 0 309.337 2.306 50 0 DEAARM CCC(=O)N[C@@H](CC(=O)[O-])c1cccc(Br)c1 ZINC000041507282 183194674 /nfs/dbraw/zinc/19/46/74/183194674.db2.gz YDURHXZODNNQBG-JTQLQIEISA-N -1 0 300.152 2.491 50 0 DEAARM Cc1n[n-]c(NCCc2csc(-c3ccccc3)n2)nc1=O ZINC000041605429 183209595 /nfs/dbraw/zinc/20/95/95/183209595.db2.gz UWOBPBAIKSVSDR-UHFFFAOYSA-N -1 0 313.386 2.251 50 0 DEAARM Cc1cc(NS(=O)(=O)C[C@@H]2CCCCO2)cc(C(=O)[O-])c1 ZINC000285081885 218283089 /nfs/dbraw/zinc/28/30/89/218283089.db2.gz MJYGLALFLQHDGN-ZDUSSCGKSA-N -1 0 313.375 2.004 50 0 DEAARM Cc1cc(C)n(-c2ccccc2[N-]S(=O)(=O)c2cn[nH]c2)n1 ZINC000057117481 184027113 /nfs/dbraw/zinc/02/71/13/184027113.db2.gz XBUYCMDAMIRJAZ-UHFFFAOYSA-N -1 0 317.374 2.013 50 0 DEAARM Cc1ccc(-c2cc3c(=O)n(CCC(=O)[O-])ccn3n2)cc1C ZINC000057352144 184035001 /nfs/dbraw/zinc/03/50/01/184035001.db2.gz YADXTRZNZNCBOI-UHFFFAOYSA-N -1 0 311.341 2.255 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(Br)ccc2F)C1 ZINC000062117492 184206508 /nfs/dbraw/zinc/20/65/08/184206508.db2.gz SMTCXSRKPVIJAY-SSDOTTSWSA-N -1 0 316.126 2.135 50 0 DEAARM Cc1nnc2c(S(=O)(=O)[N-]c3cccc(Cl)c3)cccn12 ZINC000062592024 184244384 /nfs/dbraw/zinc/24/43/84/184244384.db2.gz QOTJOYWNRPQBCO-UHFFFAOYSA-N -1 0 322.777 2.492 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000269125980 207260060 /nfs/dbraw/zinc/26/00/60/207260060.db2.gz XPQFUMWXLYYESF-PGLGOXFNSA-N -1 0 323.732 2.158 50 0 DEAARM CN(Cc1cc(-c2cccnc2)no1)Cc1ncccc1C(=O)[O-] ZINC000065462240 184349028 /nfs/dbraw/zinc/34/90/28/184349028.db2.gz HFQYWGOSNJJESD-UHFFFAOYSA-N -1 0 324.340 2.462 50 0 DEAARM CCN1C(=O)CC[C@@H](C(=O)[O-])[C@@H]1c1ccc(OC)cc1OC ZINC000012411970 285159805 /nfs/dbraw/zinc/15/98/05/285159805.db2.gz LVQXQKXCMBOFAI-DOMZBBRYSA-N -1 0 307.346 2.088 50 0 DEAARM CSCC[C@@H](NC(=O)NCCCc1ccccc1)C(=O)[O-] ZINC000006762828 257137378 /nfs/dbraw/zinc/13/73/78/257137378.db2.gz HYOMPMWOJFOEAJ-CYBMUJFWSA-N -1 0 310.419 2.125 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CCCC[C@H]2C(=O)[O-])cc1F ZINC000314165975 533229399 /nfs/dbraw/zinc/22/93/99/533229399.db2.gz UIBWWCQFGBUAHV-CFNZNRNTSA-N -1 0 307.321 2.313 50 0 DEAARM CC(C)[C@@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000262809432 145306497 /nfs/dbraw/zinc/30/64/97/145306497.db2.gz OZZBKOIPXGDDSE-HNNXBMFYSA-N -1 0 305.374 2.201 50 0 DEAARM C[C@@H]1CC[C@@H](CCC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)O1 ZINC000262988787 145316131 /nfs/dbraw/zinc/31/61/31/145316131.db2.gz LGGUSMLRKRZNGZ-NRUUGDAUSA-N -1 0 323.311 2.200 50 0 DEAARM CC[C@H]1C[C@H](NC(=O)NCc2ccc(C(=O)[O-])cc2)CCO1 ZINC000263131673 145328546 /nfs/dbraw/zinc/32/85/46/145328546.db2.gz CYWNRJWPHPKKLD-KGLIPLIRSA-N -1 0 306.362 2.142 50 0 DEAARM Cc1c(C(=O)[O-])cnn1C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000263224475 145338384 /nfs/dbraw/zinc/33/83/84/145338384.db2.gz RGZAPYXJZFJFSZ-UHFFFAOYSA-N -1 0 307.394 2.489 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(C)c1 ZINC000007056143 401736427 /nfs/dbraw/zinc/73/64/27/401736427.db2.gz SVQCRDRHGJEGKP-UHFFFAOYSA-N -1 0 304.371 2.203 50 0 DEAARM CCc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000000195769 401690133 /nfs/dbraw/zinc/69/01/33/401690133.db2.gz JDHDEPFGNTWQBN-HNNXBMFYSA-N -1 0 316.357 2.414 50 0 DEAARM O=C([O-])c1cc(S(=O)(=O)NCc2ccco2)ccc1Cl ZINC000000227721 401691820 /nfs/dbraw/zinc/69/18/20/401691820.db2.gz IXMCXOSDMSMDJP-UHFFFAOYSA-N -1 0 315.734 2.110 50 0 DEAARM COC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1 ZINC000000434432 401698373 /nfs/dbraw/zinc/69/83/73/401698373.db2.gz GIYQEAMTVKFESX-CHWSQXEVSA-N -1 0 303.314 2.079 50 0 DEAARM CC(=O)Nc1cccc2c1C(=O)N(c1cccc(C(=O)[O-])c1)C2=O ZINC000000973372 401703341 /nfs/dbraw/zinc/70/33/41/401703341.db2.gz QQMYIPHXPDUFEA-UHFFFAOYSA-N -1 0 324.292 2.144 50 0 DEAARM O=C([O-])c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1 ZINC000001264585 401705413 /nfs/dbraw/zinc/70/54/13/401705413.db2.gz KDKFYJAAJWVHNF-ZROIWOOFSA-N -1 0 322.345 2.155 50 0 DEAARM Cc1ccccc1[C@@H]1[C@@H](C(=O)[O-])CCC(=O)N1C[C@@H]1CCOC1 ZINC000072275749 401705659 /nfs/dbraw/zinc/70/56/59/401705659.db2.gz PMQIUZOFXICROE-JLJPHGGASA-N -1 0 317.385 2.396 50 0 DEAARM CC(C)(C)OC(=O)C[C@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002391156 401713594 /nfs/dbraw/zinc/71/35/94/401713594.db2.gz HLSLRFBLVZUVIE-LBPRGKRZSA-N -1 0 323.345 2.098 50 0 in-vitro DEAARM Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1 ZINC000002685261 401716433 /nfs/dbraw/zinc/71/64/33/401716433.db2.gz VRDPYHDVZAMINE-UHFFFAOYSA-N -1 0 307.327 2.200 50 0 DEAARM CCOc1ccc(C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000013171039 401797728 /nfs/dbraw/zinc/79/77/28/401797728.db2.gz FFEGJCPCEYPDQR-GFCCVEGCSA-N -1 0 307.346 2.031 50 0 DEAARM COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1OC ZINC000013252582 401798393 /nfs/dbraw/zinc/79/83/93/401798393.db2.gz YPHDSXOYHMVILX-RYUDHWBXSA-N -1 0 305.330 2.309 50 0 DEAARM CCN1C(=O)Cc2cc([N-]S(=O)(=O)c3cccs3)ccc21 ZINC000010063702 401767853 /nfs/dbraw/zinc/76/78/53/401767853.db2.gz HSLUVLRABLJOQW-UHFFFAOYSA-N -1 0 322.411 2.458 50 0 DEAARM O=C1Cc2cc([N-]S(=O)(=O)c3cc(F)ccc3F)ccc2N1 ZINC000010063805 401768076 /nfs/dbraw/zinc/76/80/76/401768076.db2.gz IEAGISLJJSEKFY-UHFFFAOYSA-N -1 0 324.308 2.260 50 0 DEAARM CO[N-]C(=O)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(C)C ZINC000010893275 401772519 /nfs/dbraw/zinc/77/25/19/401772519.db2.gz HRDKUOWCAFAJTE-NSHDSACASA-N -1 0 319.188 2.425 50 0 DEAARM CC(=O)Nc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000013012560 401795348 /nfs/dbraw/zinc/79/53/48/401795348.db2.gz YGQJKQUFUFKGNW-ZIAGYGMSSA-N -1 0 302.330 2.251 50 0 DEAARM CN(Cc1cccs1)S(=O)(=O)c1ccc(C(=O)[O-])cc1 ZINC000013069369 401795697 /nfs/dbraw/zinc/79/56/97/401795697.db2.gz PHBSADFGTMMJNH-UHFFFAOYSA-N -1 0 311.384 2.267 50 0 DEAARM Cc1cc(NC(=O)COc2cc(Cl)ccc2C(=O)[O-])no1 ZINC000013085456 401796036 /nfs/dbraw/zinc/79/60/36/401796036.db2.gz XGMDBSPMFUJYEC-UHFFFAOYSA-N -1 0 310.693 2.352 50 0 DEAARM Cc1nc(-c2ccccc2F)sc1C(=O)NCCC(=O)[O-] ZINC000032070424 401875985 /nfs/dbraw/zinc/87/59/85/401875985.db2.gz MPYCPLRGYLHUSO-UHFFFAOYSA-N -1 0 308.334 2.462 50 0 DEAARM CN(Cc1ccsc1)S(=O)(=O)c1cccc(C(=O)[O-])c1 ZINC000035123682 401895499 /nfs/dbraw/zinc/89/54/99/401895499.db2.gz XTHKIJYWXXAURO-UHFFFAOYSA-N -1 0 311.384 2.267 50 0 DEAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2ccc(Br)cc2)n1 ZINC000036615485 401906072 /nfs/dbraw/zinc/90/60/72/401906072.db2.gz ADSDQHFDPOSVQD-UHFFFAOYSA-N -1 0 324.134 2.133 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1cccc(C(F)(F)F)c1 ZINC000037410276 401913124 /nfs/dbraw/zinc/91/31/24/401913124.db2.gz VFEITMRSMVIBAN-LLVKDONJSA-N -1 0 301.264 2.324 50 0 DEAARM CC(C)c1cc([N-]S(=O)(=O)c2ccc3c(c2)CCO3)n[nH]1 ZINC000135031188 401924331 /nfs/dbraw/zinc/92/43/31/401924331.db2.gz CZTRZYMGXDHHEO-UHFFFAOYSA-N -1 0 307.375 2.269 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(OCC3CC3)cc2)C1 ZINC000136122377 401960661 /nfs/dbraw/zinc/96/06/61/401960661.db2.gz YGTSVKBCQUENGM-AWEZNQCLSA-N -1 0 303.358 2.412 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)C[C@@H]2OCCc3ccccc32)C1 ZINC000136118489 401960836 /nfs/dbraw/zinc/96/08/36/401960836.db2.gz BRTURYMWAXFILB-HIFRSBDPSA-N -1 0 303.358 2.014 50 0 DEAARM Cc1ccccc1-n1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])cn1 ZINC000136507058 401968585 /nfs/dbraw/zinc/96/85/85/401968585.db2.gz WNZLWBMQAHAZOE-HNNXBMFYSA-N -1 0 313.357 2.260 50 0 DEAARM C[C@](NC(=O)Cc1n[nH]c2ccccc21)(C(=O)[O-])c1ccccc1 ZINC000089905429 401972599 /nfs/dbraw/zinc/97/25/99/401972599.db2.gz XOFJMVJRPBGUPT-GOSISDBHSA-N -1 0 323.352 2.222 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1cccc(Br)c1 ZINC000050039860 402024241 /nfs/dbraw/zinc/02/42/41/402024241.db2.gz MHLHNTHGEXKXNR-LLVKDONJSA-N -1 0 312.163 2.067 50 0 DEAARM O=C([O-])c1cccc([C@H]2CCCN(S(=O)(=O)C3CC3)C2)c1 ZINC000095360598 402027667 /nfs/dbraw/zinc/02/76/67/402027667.db2.gz OWIAZJSQGBGOEY-ZDUSSCGKSA-N -1 0 309.387 2.056 50 0 DEAARM Cc1noc(CN2CCC[C@H](c3cccc(C(=O)[O-])c3)C2)n1 ZINC000095370903 402029371 /nfs/dbraw/zinc/02/93/71/402029371.db2.gz GFGUAOZRCBJNRF-AWEZNQCLSA-N -1 0 301.346 2.456 50 0 DEAARM CC[C@@H](NC(=O)c1ccc(COc2ccccc2)o1)C(=O)[O-] ZINC000095377544 402029970 /nfs/dbraw/zinc/02/99/70/402029970.db2.gz WITBFDKXIUJZMW-CYBMUJFWSA-N -1 0 303.314 2.452 50 0 DEAARM O=C([O-])C[C@H](NC(=O)c1cc(-c2ccccc2)on1)C1CC1 ZINC000095970318 402038289 /nfs/dbraw/zinc/03/82/89/402038289.db2.gz NKNALVDIBHPING-LBPRGKRZSA-N -1 0 300.314 2.325 50 0 DEAARM Cc1cc(S(=O)(=O)[N-]C(=O)c2cc(F)ccc2F)c(C)o1 ZINC000095989282 402043455 /nfs/dbraw/zinc/04/34/55/402043455.db2.gz VAPJSPVJDYLSGU-UHFFFAOYSA-N -1 0 315.297 2.293 50 0 DEAARM O=C([O-])c1ccccc1CCC(=O)N=c1[nH]c2ccccc2[nH]1 ZINC000097039146 402101378 /nfs/dbraw/zinc/10/13/78/402101378.db2.gz MVNFUGFDYDVJJV-UHFFFAOYSA-N -1 0 309.325 2.254 50 0 DEAARM Cc1ccnc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000097114324 402109397 /nfs/dbraw/zinc/10/93/97/402109397.db2.gz GIUQHROHIIDQMC-UHFFFAOYSA-N -1 0 301.730 2.378 50 0 DEAARM [O-]c1ccc(Cl)c(CN2CCO[C@H](CCO)C2)c1Cl ZINC000097713526 402131234 /nfs/dbraw/zinc/13/12/34/402131234.db2.gz NQFPHPGYHGHZHZ-SECBINFHSA-N -1 0 306.189 2.282 50 0 DEAARM O=C(NCc1ccccc1)c1c([O-])c2cccc3c2n(c1=O)CC3 ZINC000100326538 402140885 /nfs/dbraw/zinc/14/08/85/402140885.db2.gz XHGCCEYFFPZNHW-UHFFFAOYSA-N -1 0 320.348 2.193 50 0 biogenic DEAARM O=c1c2[n-][nH]n(-c3ccc(F)cc3)c=2c(=O)n1-c1ccccc1 ZINC000101277654 402144338 /nfs/dbraw/zinc/14/43/38/402144338.db2.gz AVMKASCZLYCTCM-KBPBESRZSA-N -1 0 310.288 2.324 50 0 DEAARM CC(C)COc1ccccc1[C@H]1CC(C(=O)[O-])=Nc2ncnn21 ZINC000101347903 402144734 /nfs/dbraw/zinc/14/47/34/402144734.db2.gz ANAGDEJQOXCREQ-CYBMUJFWSA-N -1 0 314.345 2.296 50 0 DEAARM CCCOc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1 ZINC000100684593 402142184 /nfs/dbraw/zinc/14/21/84/402142184.db2.gz CSFAKVGMILFBQR-ZDUSSCGKSA-N -1 0 300.318 2.050 50 0 DEAARM O=C([O-])c1ccccc1Cn1nc(-c2ccc(F)cc2)oc1=O ZINC000069173286 402215456 /nfs/dbraw/zinc/21/54/56/402215456.db2.gz ZQGHIFFARSIWPG-UHFFFAOYSA-N -1 0 314.272 2.389 50 0 DEAARM O=C([O-])C1CCN(C(=O)c2sccc2Br)CC1 ZINC000070165464 402257657 /nfs/dbraw/zinc/25/76/57/402257657.db2.gz HZFCQQMZOHRROO-UHFFFAOYSA-N -1 0 318.192 2.447 50 0 DEAARM CC1(C)[C@H](C(=O)[O-])[C@H]1C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000071279648 402271816 /nfs/dbraw/zinc/27/18/16/402271816.db2.gz MCGLCJLHSMOCQN-KBPBESRZSA-N -1 0 316.357 2.109 50 0 DEAARM O=C([O-])[C@@H]1CC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000071405196 402273349 /nfs/dbraw/zinc/27/33/49/402273349.db2.gz ICCVCQBJZHBQOZ-JGVFFNPUSA-N -1 0 313.151 2.284 50 0 DEAARM O=C(c1ccncc1[O-])N1CCC(OCc2cccnc2)CC1 ZINC000215753977 402284786 /nfs/dbraw/zinc/28/47/86/402284786.db2.gz BDUMESKQPNGKON-UHFFFAOYSA-N -1 0 313.357 2.004 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)c2ccc(F)c(Br)c2)C1 ZINC000225947147 402325557 /nfs/dbraw/zinc/32/55/57/402325557.db2.gz XJOXDOURYNHWBK-MRVPVSSYSA-N -1 0 316.126 2.135 50 0 DEAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(Cl)sc2Cl)CCO1 ZINC000224811919 402314822 /nfs/dbraw/zinc/31/48/22/402314822.db2.gz GXZLUXJNAWONLN-LURJTMIESA-N -1 0 324.185 2.371 50 0 DEAARM O=C([O-])C1CCN(C(=O)Cc2cc(-c3ccccc3)on2)CC1 ZINC000225455885 402317600 /nfs/dbraw/zinc/31/76/00/402317600.db2.gz GLQXTAQDCZIMGV-UHFFFAOYSA-N -1 0 314.341 2.207 50 0 DEAARM CC(C)n1ncc(C(=O)N2CC[C@H](C(=O)[O-])C2)c1C(F)(F)F ZINC000236726953 402378467 /nfs/dbraw/zinc/37/84/67/402378467.db2.gz SHWYPQYHTSWTAH-QMMMGPOBSA-N -1 0 319.283 2.030 50 0 DEAARM COc1ccc(/C=C/C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1F ZINC000237306376 402403137 /nfs/dbraw/zinc/40/31/37/402403137.db2.gz ZRTHTJFTSWPZGO-NBUZRDOWSA-N -1 0 307.321 2.171 50 0 DEAARM O=C([O-])[C@@H]1CCN(C(=O)CCCOc2ccc(Cl)cc2)C1 ZINC000237947265 402427184 /nfs/dbraw/zinc/42/71/84/402427184.db2.gz ASANHKSDMIERPK-LLVKDONJSA-N -1 0 311.765 2.432 50 0 DEAARM CCCO[C@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000244884165 402451248 /nfs/dbraw/zinc/45/12/48/402451248.db2.gz YGPYJTXMCSAIOT-HNNXBMFYSA-N -1 0 320.389 2.214 50 0 DEAARM O=C([O-])c1ccc(CCC(=O)N2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000238063266 402435589 /nfs/dbraw/zinc/43/55/89/402435589.db2.gz AFDXPBBHWRIIGB-HOTGVXAUSA-N -1 0 317.385 2.487 50 0 DEAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)CCc1ccccc1F ZINC000238101374 402438025 /nfs/dbraw/zinc/43/80/25/402438025.db2.gz HOVQAFMMXXXLJJ-CQSZACIVSA-N -1 0 323.364 2.241 50 0 DEAARM O=C([O-])CCNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000238177553 402440009 /nfs/dbraw/zinc/44/00/09/402440009.db2.gz HOEXNGXORXIQFI-MNOVXSKESA-N -1 0 301.264 2.400 50 0 DEAARM O=C([N-]S(=O)(=O)CC1CCC1)[C@@H]1CSc2ccccc21 ZINC000164879627 402470237 /nfs/dbraw/zinc/47/02/37/402470237.db2.gz PLAYLTFQISQMPN-GFCCVEGCSA-N -1 0 311.428 2.122 50 0 DEAARM Cc1cc(Br)ccc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000164888146 402470319 /nfs/dbraw/zinc/47/03/19/402470319.db2.gz KEOAHLUMDGBIRG-UHFFFAOYSA-N -1 0 312.163 2.495 50 0 DEAARM C[C@H]1C[C@H](C(=O)N(CC(=O)[O-])Cc2ccc(F)cc2)CCO1 ZINC000262998366 402740201 /nfs/dbraw/zinc/74/02/01/402740201.db2.gz QXAVMZYZGVKNEW-WCQYABFASA-N -1 0 309.337 2.054 50 0 DEAARM CC(C)Oc1cccnc1C(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000263270245 402752660 /nfs/dbraw/zinc/75/26/60/402752660.db2.gz OWNJZGWFJZCXHT-LBPRGKRZSA-N -1 0 318.373 2.196 50 0 DEAARM Cc1ccc(OC2CCN(C(=O)[C@H]3C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000263522756 402777388 /nfs/dbraw/zinc/77/73/88/402777388.db2.gz IAZVLIPTGKBTHY-GJZGRUSLSA-N -1 0 303.358 2.086 50 0 DEAARM COCc1c(C(=O)[O-])cnn1-c1nccc(-c2cccs2)n1 ZINC000299772351 403570806 /nfs/dbraw/zinc/57/08/06/403570806.db2.gz ZFZKIJXPFKPFBB-UHFFFAOYSA-N -1 0 316.342 2.235 50 0 DEAARM O=C([O-])c1cccc(OCCNC(=O)[C@H]2C[C@@H]3C=C[C@H]2C3)c1 ZINC000426656817 405373047 /nfs/dbraw/zinc/37/30/47/405373047.db2.gz 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/nfs/dbraw/zinc/96/27/19/424962719.db2.gz YBCJHDAMPARIEN-UHFFFAOYSA-N -1 0 314.345 2.755 50 0 DEAARM CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(C(=O)[O-])cc2)C1 ZINC000074941265 278400991 /nfs/dbraw/zinc/40/09/91/278400991.db2.gz NOFZILQIQHEJAT-CYBMUJFWSA-N -1 0 306.362 2.266 50 0 DEAARM CC(C)(C)[C@@H]1CCc2nc(NC(=O)c3n[nH]c(=O)[n-]3)sc2C1 ZINC000097047649 278508613 /nfs/dbraw/zinc/50/86/13/278508613.db2.gz MNSQBIDCGYNASR-SSDOTTSWSA-N -1 0 321.406 2.370 50 0 DEAARM CC(C)[C@@]([NH3+])(CC[P@](=O)([O-])CCc1ccccc1)C(=O)[O-] ZINC000001762444 280118909 /nfs/dbraw/zinc/11/89/09/280118909.db2.gz GABJTPSVZVMCCK-HNNXBMFYSA-N -1 0 313.334 2.328 50 0 biogenic DEAARM COc1ccc([C@@H](C(=O)[O-])N(C)Cc2ccccn2)c(OC)c1 ZINC000095379852 295202421 /nfs/dbraw/zinc/20/24/21/295202421.db2.gz QDTFOFRDVPPMQI-INIZCTEOSA-N -1 0 316.357 2.357 50 0 DEAARM Cc1nc(CC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])cs1 ZINC000237711156 302584048 /nfs/dbraw/zinc/58/40/48/302584048.db2.gz SSPLWCHCAHRIMQ-CQSZACIVSA-N -1 0 316.382 2.032 50 0 DEAARM NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000006623221 303349005 /nfs/dbraw/zinc/34/90/05/303349005.db2.gz WEFBVFUHZXZHBK-UHFFFAOYSA-N -1 0 316.382 2.075 50 0 DEAARM O=S(=O)([N-]c1cc(F)ccc1OCC1CC1)c1cn[nH]c1 ZINC000189475155 333091881 /nfs/dbraw/zinc/09/18/81/333091881.db2.gz BDMNJXNVSSEGAN-UHFFFAOYSA-N -1 0 311.338 2.138 50 0 DEAARM C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1)C(=O)[O-] ZINC000169967222 563901902 /nfs/dbraw/zinc/90/19/02/563901902.db2.gz UEGHYVKMVFFPPY-BKDNQFJXSA-N -1 0 301.264 2.398 50 0 DEAARM C/C(=C\C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccccc1Cl ZINC000584908063 599938747 /nfs/dbraw/zinc/93/87/47/599938747.db2.gz UMLJHPBZABKQGD-FROQITRMSA-N -1 0 309.749 2.055 50 0 DEAARM [O-]c1cccc2oc(/C=C/c3cn(C[C@H]4CCOC4)nn3)nc21 ZINC000888099350 635547387 /nfs/dbraw/zinc/54/73/87/635547387.db2.gz JCDRFMJLWCZQSL-SGUJLRQBSA-N -1 0 312.329 2.332 50 0 DEAARM CN(Cc1[nH]nc2c1CCCCC2)Cc1ncccc1C(=O)[O-] ZINC000067965831 683925888 /nfs/dbraw/zinc/92/58/88/683925888.db2.gz BQWAAPMJQZERCF-UHFFFAOYSA-N -1 0 314.389 2.404 50 0 DEAARM C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)C1 ZINC000675029259 778339882 /nfs/dbraw/zinc/33/98/82/778339882.db2.gz IZGASXATSINHHT-BVAIOKDQSA-N -1 0 323.414 2.451 50 0 DEAARM COc1cc(C)sc1C(=O)N1C[C@@H](C(=O)[O-])[C@H](C(C)C)C1 ZINC000219613533 789688366 /nfs/dbraw/zinc/68/83/66/789688366.db2.gz RRDILCPCBXUCDN-WDEREUQCSA-N -1 0 311.403 2.494 50 0 DEAARM Cc1c(F)cccc1NC(=O)CN1CCCC[C@@]1(C)C(=O)[O-] ZINC001529154957 1070886953 /nfs/dbraw/zinc/88/69/53/1070886953.db2.gz MFKGCNVOPFZWHR-INIZCTEOSA-N -1 0 308.353 2.402 50 0 DEAARM CCn1cc(S(=O)(=O)[N-]c2cccc(N3CCCC3)c2)cn1 ZINC000078986318 185141282 /nfs/dbraw/zinc/14/12/82/185141282.db2.gz LGJMSGBZHBQTGQ-UHFFFAOYSA-N -1 0 320.418 2.304 50 0 DEAARM Cc1ccc(S(=O)(=O)[N-]c2nc(C(C)C)nn2C)cc1F ZINC000079102262 185158584 /nfs/dbraw/zinc/15/85/84/185158584.db2.gz MTPLYOGHKHKLHX-UHFFFAOYSA-N -1 0 312.370 2.187 50 0 DEAARM CC[C@H](NC(=O)c1cc(OC)cc(C(=O)[O-])c1)c1ccnn1C ZINC000426497341 529561555 /nfs/dbraw/zinc/56/15/55/529561555.db2.gz YSIKXNDYZIROEO-ZDUSSCGKSA-N -1 0 317.345 2.008 50 0 DEAARM Cc1c(Br)cccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000088440323 185250753 /nfs/dbraw/zinc/25/07/53/185250753.db2.gz VXXJOLKJSKYTTO-SECBINFHSA-N -1 0 312.163 2.304 50 0 DEAARM COc1cccc(COCC(=O)NCCCCCCC(=O)[O-])c1 ZINC000095389877 185351053 /nfs/dbraw/zinc/35/10/53/185351053.db2.gz PDCDYJUGWUQFDV-UHFFFAOYSA-N -1 0 323.389 2.363 50 0 DEAARM CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C(=O)[O-])C(C)(C)C)c1 ZINC000095424679 185361489 /nfs/dbraw/zinc/36/14/89/185361489.db2.gz PVNQEGJDHKYARO-BXUZGUMPSA-N -1 0 321.373 2.272 50 0 DEAARM CC(C)n1cnc(S(=O)(=O)[N-]c2cccc3c2CCN3C)c1 ZINC000095435869 185364939 /nfs/dbraw/zinc/36/49/39/185364939.db2.gz MAAGRDUUPGNBSN-UHFFFAOYSA-N -1 0 320.418 2.257 50 0 DEAARM Cc1c(Cl)cc(S(=O)(=O)[N-]c2ncnn2C)cc1Cl ZINC000095441052 185366318 /nfs/dbraw/zinc/36/63/18/185366318.db2.gz WDHVGIIDTDFACE-UHFFFAOYSA-N -1 0 321.189 2.231 50 0 DEAARM Cc1cc(C)n(Cc2cccc(NC(=O)[C@@H]3C[C@@H]3C(=O)[O-])c2)n1 ZINC000097017736 185397696 /nfs/dbraw/zinc/39/76/96/185397696.db2.gz CEOUTQQOCKKZDJ-CABCVRRESA-N -1 0 313.357 2.207 50 0 DEAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc(O)cc2F)c1 ZINC000095468572 185372319 /nfs/dbraw/zinc/37/23/19/185372319.db2.gz SQAOHTLKAJLNEZ-UHFFFAOYSA-N -1 0 311.290 2.030 50 0 DEAARM CN(CCCC(=O)[O-])C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 ZINC000299265628 529879935 /nfs/dbraw/zinc/87/99/35/529879935.db2.gz IZMPGXMPFUMZAC-HNNXBMFYSA-N -1 0 321.373 2.181 50 0 DEAARM CC(=O)N1CCCc2cc(NC(=O)CC(C)(C)C(=O)[O-])ccc21 ZINC000170627455 197795591 /nfs/dbraw/zinc/79/55/91/197795591.db2.gz HHDDSVYPBDCIRS-UHFFFAOYSA-N -1 0 318.373 2.425 50 0 DEAARM O=C(Nc1cccnc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000001250866 304009876 /nfs/dbraw/zinc/00/98/76/304009876.db2.gz RFQBSKFGPGAGRO-UHFFFAOYSA-N -1 0 321.336 2.301 50 0 DEAARM CC(C)(C)OC(=O)N[C@H]1CCCN(c2cc(C(=O)[O-])ccn2)C1 ZINC000072233910 191079738 /nfs/dbraw/zinc/07/97/38/191079738.db2.gz JHLTWDMPGNWSKT-LBPRGKRZSA-N -1 0 321.377 2.273 50 0 DEAARM C[C@@H](C(=O)[O-])c1cccc(NC(=O)CN2CCCCCC2=O)c1 ZINC000263332703 539789542 /nfs/dbraw/zinc/78/95/42/539789542.db2.gz QFDCBRAPAHVONA-GFCCVEGCSA-N -1 0 318.373 2.216 50 0 DEAARM Cc1ccccc1-n1nccc1[N-]S(=O)(=O)c1cccnc1 ZINC000072283243 191104462 /nfs/dbraw/zinc/10/44/62/191104462.db2.gz HRTCUPRVFCLXOI-UHFFFAOYSA-N -1 0 314.370 2.377 50 0 DEAARM CCOc1ncccc1CNC(=O)c1s[n-]c(=O)c1Cl ZINC000253405817 186307596 /nfs/dbraw/zinc/30/75/96/186307596.db2.gz RBTFYOAMBLVSLP-UHFFFAOYSA-N -1 0 313.766 2.226 50 0 DEAARM COc1ccc(F)cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)[O-] ZINC000262841773 186311753 /nfs/dbraw/zinc/31/17/53/186311753.db2.gz DAQPNBJSDXWUGI-DRCTWCGVSA-N -1 0 307.321 2.160 50 0 DEAARM CCSc1nnc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])s1 ZINC000000113496 180696785 /nfs/dbraw/zinc/69/67/85/180696785.db2.gz RFVBTVMRNXFBMX-YUMQZZPRSA-N -1 0 313.404 2.256 50 0 DEAARM COCCOC(=O)c1c(C)oc2ccc(OCC(=O)[O-])cc21 ZINC000001800830 180896974 /nfs/dbraw/zinc/89/69/74/180896974.db2.gz PFDQCDLUAZGGCY-UHFFFAOYSA-N -1 0 308.286 2.008 50 0 DEAARM Cc1ccc(OCCNC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000003075268 180979916 /nfs/dbraw/zinc/97/99/16/180979916.db2.gz UTGNOVQBXRWDFM-GJZGRUSLSA-N -1 0 303.358 2.157 50 0 DEAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccccc1F ZINC000003581214 181036898 /nfs/dbraw/zinc/03/68/98/181036898.db2.gz HPXRUHNCOAQOHF-UHFFFAOYSA-N -1 0 309.318 2.413 50 0 DEAARM Cc1c(CCC(=O)[O-])c(C)n2c3ccccc3nc2c1C(N)=O ZINC000003882620 181052405 /nfs/dbraw/zinc/05/24/05/181052405.db2.gz LLGUEYOQSHWHHN-UHFFFAOYSA-N -1 0 311.341 2.220 50 0 DEAARM O=C([O-])CCC(=O)NCCc1csc(-c2ccccc2)n1 ZINC000004167008 181080942 /nfs/dbraw/zinc/08/09/42/181080942.db2.gz WTLOKPJEOWHLMW-UHFFFAOYSA-N -1 0 304.371 2.334 50 0 DEAARM CCc1cccc(C)c1NC(=O)[C@@H]1[C@H]2CC[C@H](O2)[C@@H]1C(=O)[O-] ZINC000004197662 181084804 /nfs/dbraw/zinc/08/48/04/181084804.db2.gz ZBZCASVMQIQUTN-RQJABVFESA-N -1 0 303.358 2.374 50 0 DEAARM Cc1nc(C(Cl)(Cl)Cl)[n-]c(=O)c1SCCO ZINC000004277110 181091675 /nfs/dbraw/zinc/09/16/75/181091675.db2.gz LRBZAAPEYSGAJK-UHFFFAOYSA-N -1 0 303.598 2.402 50 0 DEAARM CC[C@@H](Sc1ccc2nnc(-c3ccccn3)n2n1)C(=O)[O-] ZINC000004327434 181098654 /nfs/dbraw/zinc/09/86/54/181098654.db2.gz NSSBXTVWEBYLEE-SNVBAGLBSA-N -1 0 315.358 2.142 50 0 DEAARM Cc1sc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c(C(N)=O)c1C ZINC000004748683 181147722 /nfs/dbraw/zinc/14/77/22/181147722.db2.gz ZLOPMFSBEIPGSX-NXEZZACHSA-N -1 0 322.386 2.069 50 0 DEAARM O=C([O-])CC1(CC(=O)NC[C@@H](O)c2ccccc2)CCCC1 ZINC000000130379 304043180 /nfs/dbraw/zinc/04/31/80/304043180.db2.gz BGQSXZAEJLHOAF-CQSZACIVSA-N -1 0 305.374 2.261 50 0 DEAARM Cc1nnc(CCCNC(=O)c2ccc3[n-]c(=S)oc3c2)[nH]1 ZINC000075094410 355068255 /nfs/dbraw/zinc/06/82/55/355068255.db2.gz XPMCIJLOVOCNLY-UHFFFAOYSA-N -1 0 317.374 2.280 50 0 DEAARM CN(CCn1cccn1)C(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000073560382 191327905 /nfs/dbraw/zinc/32/79/05/191327905.db2.gz VVTIRXUFHCLTQW-UHFFFAOYSA-N -1 0 302.359 2.459 50 0 DEAARM CN(CCNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-])c1ccccc1 ZINC000100815957 355708359 /nfs/dbraw/zinc/70/83/59/355708359.db2.gz HLKDEKNMVFVETQ-HUUCEWRRSA-N -1 0 304.390 2.130 50 0 DEAARM CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ncccc2F)cc1 ZINC000180263803 356047031 /nfs/dbraw/zinc/04/70/31/356047031.db2.gz MMJCMRMNNMUSBS-UHFFFAOYSA-N -1 0 324.333 2.198 50 0 DEAARM CC1CCC(NC(=O)Cc2n[nH]c3ccccc32)(C(=O)[O-])CC1 ZINC000195551237 356256291 /nfs/dbraw/zinc/25/62/91/356256291.db2.gz MWACSTGBWCPVDK-UHFFFAOYSA-N -1 0 315.373 2.255 50 0 DEAARM C[C@@H](CN(C(=O)c1ccn(C2CCCC2)n1)C1CC1)C(=O)[O-] ZINC000195551858 356256332 /nfs/dbraw/zinc/25/63/32/356256332.db2.gz PKWHJQCMGUEXTR-NSHDSACASA-N -1 0 305.378 2.324 50 0 DEAARM CCCCN(CC(=O)[O-])S(=O)(=O)c1ccc(Cl)cc1 ZINC000005614883 181264094 /nfs/dbraw/zinc/26/40/94/181264094.db2.gz MDNXXBBJTNIEFO-UHFFFAOYSA-N -1 0 305.783 2.215 50 0 DEAARM COc1ccc(/C=C\C(=O)N2CCCC[C@@H]2C(=O)[O-])cc1F ZINC000314165979 356416122 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C[C@H](OCC(F)(F)F)C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000237561013 202283446 /nfs/dbraw/zinc/28/34/46/202283446.db2.gz HAYNCEGTOMYULR-UWVGGRQHSA-N -1 0 311.300 2.057 50 0 DEAARM C[C@]1(C(=O)[O-])CCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000237650280 202318575 /nfs/dbraw/zinc/31/85/75/202318575.db2.gz CXAJWTONVLBZOQ-GDLVEWKHSA-N -1 0 309.312 2.392 50 0 DEAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000237707394 202332771 /nfs/dbraw/zinc/33/27/71/202332771.db2.gz CTSZSEVUZLKGGH-OAHLLOKOSA-N -1 0 300.358 2.485 50 0 DEAARM Cc1[nH]c2ccccc2c1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000237707472 202332947 /nfs/dbraw/zinc/33/29/47/202332947.db2.gz CTSZSEVUZLKGGH-HNNXBMFYSA-N -1 0 300.358 2.485 50 0 DEAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000237794565 202355584 /nfs/dbraw/zinc/35/55/84/202355584.db2.gz JWGAPMCIPPTSHM-STQMWFEESA-N -1 0 323.414 2.252 50 0 DEAARM O=C([O-])[C@H]1CCCN1C(=O)Cc1coc(-c2ccc(F)cc2)n1 ZINC000238070730 202434846 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ZINC000002771267 401718046 /nfs/dbraw/zinc/71/80/46/401718046.db2.gz OWZZWJPTZUBSRZ-OAHLLOKOSA-N -1 0 314.410 2.347 50 0 DEAARM COc1ccc(OC)c(/C=C/C(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000013170269 401797792 /nfs/dbraw/zinc/79/77/92/401797792.db2.gz MJAQJNNDQVIJAG-OQHXTRMZSA-N -1 0 319.357 2.040 50 0 DEAARM C[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C1 ZINC000013340240 401798891 /nfs/dbraw/zinc/79/88/91/401798891.db2.gz YQAPWNXLRQBPIH-SECBINFHSA-N -1 0 317.794 2.459 50 0 DEAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CC=CCC1 ZINC000014112408 401806924 /nfs/dbraw/zinc/80/69/24/401806924.db2.gz HCWMGTUPFQDCGZ-JTQLQIEISA-N -1 0 303.387 2.299 50 0 DEAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC)cc1 ZINC000009737371 401765572 /nfs/dbraw/zinc/76/55/72/401765572.db2.gz DAHURWWXXGISKI-UHFFFAOYSA-N -1 0 321.354 2.283 50 0 DEAARM Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)[O-])c2ccccc12 ZINC000011635114 401775014 /nfs/dbraw/zinc/77/50/14/401775014.db2.gz WTIBTNJGNKJRBP-CQSZACIVSA-N -1 0 319.382 2.386 50 0 DEAARM O=C(NCc1cccs1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000012416051 401785086 /nfs/dbraw/zinc/78/50/86/401785086.db2.gz WFURYDVJMDDYGW-UHFFFAOYSA-N -1 0 300.339 2.225 50 0 DEAARM O=C([O-])CCCC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000012403799 401785317 /nfs/dbraw/zinc/78/53/17/401785317.db2.gz CKSNUEHIEKMYDT-UHFFFAOYSA-N -1 0 304.346 2.116 50 0 DEAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccccc1F ZINC000012605548 401788922 /nfs/dbraw/zinc/78/89/22/401788922.db2.gz VMHRFLHDQWYCFC-UHFFFAOYSA-N -1 0 322.361 2.127 50 0 DEAARM Cc1sc2ncn([N-]C(=O)c3cccc(C)n3)c(=O)c2c1C ZINC000026380067 401840331 /nfs/dbraw/zinc/84/03/31/401840331.db2.gz NLFGQTUNVSFPIW-UHFFFAOYSA-N -1 0 314.370 2.162 50 0 DEAARM O=C([O-])CS(=O)(=O)c1csc(-c2ccc(Cl)cc2)n1 ZINC000027562130 401846283 /nfs/dbraw/zinc/84/62/83/401846283.db2.gz HCJAANADIHSFCP-UHFFFAOYSA-N -1 0 317.775 2.322 50 0 DEAARM O=S(=O)([N-]c1ccccc1-n1cncn1)c1cccc(F)c1 ZINC000028020367 401849533 /nfs/dbraw/zinc/84/95/33/401849533.db2.gz AVMDRAAPAZDXPL-UHFFFAOYSA-N -1 0 318.333 2.207 50 0 DEAARM COc1ccc2c(CC(=O)N3CCC[C@@H](C(=O)[O-])C3)coc2c1 ZINC000078706089 401862484 /nfs/dbraw/zinc/86/24/84/401862484.db2.gz AOHKVZIPAZDGFC-LLVKDONJSA-N -1 0 317.341 2.307 50 0 DEAARM CC(C)CNC(=O)CNC(=O)c1c([O-])cc(Cl)cc1Cl ZINC000080022455 401886560 /nfs/dbraw/zinc/88/65/60/401886560.db2.gz JEWBPWUQSFKOHP-UHFFFAOYSA-N -1 0 319.188 2.201 50 0 DEAARM Cc1ccc(O)c([N-]S(=O)(=O)c2cn(CC(C)C)cn2)c1 ZINC000089102690 401935299 /nfs/dbraw/zinc/93/52/99/401935299.db2.gz ZMIYRNCTJALEJB-UHFFFAOYSA-N -1 0 309.391 2.354 50 0 DEAARM CC(C)[C@@H](NC(=O)NCCc1c[nH]c2ccccc12)C(=O)[O-] ZINC000033627469 401891775 /nfs/dbraw/zinc/89/17/75/401891775.db2.gz BHEOONAHJPDLMN-CQSZACIVSA-N -1 0 303.362 2.119 50 0 DEAARM O=C([O-])CN1C(=O)c2ccccc2/C(=C\c2ccsc2)C1=O ZINC000035296292 401897961 /nfs/dbraw/zinc/89/79/61/401897961.db2.gz QJHYRCFDNHSFAR-NTUHNPAUSA-N -1 0 313.334 2.356 50 0 DEAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)Cn1ccc2ccccc21 ZINC000036369896 401905151 /nfs/dbraw/zinc/90/51/51/401905151.db2.gz SNHIZCXHYYBOCS-INIZCTEOSA-N -1 0 322.364 2.453 50 0 biogenic DEAARM O=C([O-])CC[C@@H]1NC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O ZINC000036818725 401907761 /nfs/dbraw/zinc/90/77/61/401907761.db2.gz UNBBFSPPPKOGFN-VIFPVBQESA-N -1 0 317.128 2.283 50 0 DEAARM Cc1cc(Cl)ccc1S(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000036983368 401909770 /nfs/dbraw/zinc/90/97/70/401909770.db2.gz LTTRVDPUTZEJLM-SNVBAGLBSA-N -1 0 317.794 2.134 50 0 DEAARM O=C([O-])C1(C(=O)N2CCC(Oc3ccc(F)cc3)CC2)CC1 ZINC000118949878 401914749 /nfs/dbraw/zinc/91/47/49/401914749.db2.gz HCUHQVMXUUAVOT-UHFFFAOYSA-N -1 0 307.321 2.060 50 0 DEAARM COc1cc(C2(C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2)ccc1C ZINC000136117833 401960888 /nfs/dbraw/zinc/96/08/88/401960888.db2.gz RDVJWHWGAXDECD-CYBMUJFWSA-N -1 0 317.385 2.358 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)c2ccc3c(c2)OCCO3)c1 ZINC000089774495 401962142 /nfs/dbraw/zinc/96/21/42/401962142.db2.gz LTPDCENYHAPVEX-UHFFFAOYSA-N -1 0 313.309 2.086 50 0 DEAARM Cc1oc(-c2ccco2)nc1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000136485025 401968424 /nfs/dbraw/zinc/96/84/24/401968424.db2.gz SLHMLCMJXMSXRK-GFCCVEGCSA-N -1 0 318.329 2.251 50 0 DEAARM Cc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2C(=O)[O-])cn1 ZINC000136507019 401968443 /nfs/dbraw/zinc/96/84/43/401968443.db2.gz WNZLWBMQAHAZOE-OAHLLOKOSA-N -1 0 313.357 2.260 50 0 DEAARM Cc1ccc(-c2nc(C(=O)[N-]S(C)(=O)=O)cs2)c(C)c1 ZINC000049501126 402018875 /nfs/dbraw/zinc/01/88/75/402018875.db2.gz QILXESWABSOIAS-UHFFFAOYSA-N -1 0 310.400 2.116 50 0 DEAARM Cc1nc(CC(=O)N[C@H](C(=O)[O-])c2cccc(F)c2)cs1 ZINC000095360563 402027771 /nfs/dbraw/zinc/02/77/71/402027771.db2.gz ZNIRGJDSGHWGOT-ZDUSSCGKSA-N -1 0 308.334 2.075 50 0 DEAARM Cc1nc(CN(C)[C@@H](C(=O)[O-])c2c(C)nn(C)c2C)cs1 ZINC000095378555 402030402 /nfs/dbraw/zinc/03/04/02/402030402.db2.gz BMHLFJCFCCGYLK-CYBMUJFWSA-N -1 0 308.407 2.060 50 0 DEAARM CN(C)c1ccccc1[N-]S(=O)(=O)c1cn2c(n1)CCCC2 ZINC000095468347 402033144 /nfs/dbraw/zinc/03/31/44/402033144.db2.gz GQXSCQSMIYRCDA-UHFFFAOYSA-N -1 0 320.418 2.086 50 0 DEAARM Cc1ccc(-c2nc(CC(=O)N[C@@H](C(=O)[O-])C(C)C)cs2)o1 ZINC000095960577 402037424 /nfs/dbraw/zinc/03/74/24/402037424.db2.gz UASZJKSADLQCPP-CYBMUJFWSA-N -1 0 322.386 2.479 50 0 DEAARM CC(C)[C@H](NC(=O)c1n[nH]c(=O)[n-]1)c1ccc(Cl)cc1F ZINC000096006718 402045683 /nfs/dbraw/zinc/04/56/83/402045683.db2.gz MKTYBADBPCMKIF-JTQLQIEISA-N -1 0 312.732 2.018 50 0 DEAARM Cc1[nH]nc([N-]S(=O)(=O)c2ccc(C(F)(F)F)nc2)c1C ZINC000096007283 402046109 /nfs/dbraw/zinc/04/61/09/402046109.db2.gz GVLJVKWICIFDQN-UHFFFAOYSA-N -1 0 320.296 2.241 50 0 DEAARM Cc1cc(C(=O)N(CC(=O)[O-])Cc2ccccc2Cl)no1 ZINC000096402453 402078038 /nfs/dbraw/zinc/07/80/38/402078038.db2.gz SSGWKLOSPPCAER-UHFFFAOYSA-N -1 0 308.721 2.363 50 0 DEAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)c1cc(CC(C)C)no1 ZINC000055393691 402081087 /nfs/dbraw/zinc/08/10/87/402081087.db2.gz PRRUSGCDPPMLHP-UHFFFAOYSA-N -1 0 320.349 2.023 50 0 DEAARM COCC(=O)Nc1ccc(N2CCC[C@H](C)C2)cc1C(=O)[O-] ZINC000064588957 402120832 /nfs/dbraw/zinc/12/08/32/402120832.db2.gz BGKWSQQFQOTTMB-NSHDSACASA-N -1 0 306.362 2.206 50 0 DEAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000097035357 402100694 /nfs/dbraw/zinc/10/06/94/402100694.db2.gz LQKCIMHCIIJFPW-QJPTWQEYSA-N -1 0 309.312 2.392 50 0 DEAARM Cn1nc(C(C)(C)C)cc1C(=O)N1CCC[C@@H](CCC(=O)[O-])C1 ZINC000097045068 402102023 /nfs/dbraw/zinc/10/20/23/402102023.db2.gz BZODIXCLRNSHEA-LBPRGKRZSA-N -1 0 321.421 2.435 50 0 DEAARM Cc1n[nH]cc1[N-]S(=O)(=O)c1ccc(OCC(F)F)cc1 ZINC000097085658 402106126 /nfs/dbraw/zinc/10/61/26/402106126.db2.gz FEWQMXBYVFADNM-UHFFFAOYSA-N -1 0 317.317 2.163 50 0 DEAARM CCn1nc([C@@H]2CCOC2)nc1-c1c(C)[nH]c(C(=O)[O-])c1C ZINC000097370277 402122137 /nfs/dbraw/zinc/12/21/37/402122137.db2.gz ILPQZCBGYXDYGD-SNVBAGLBSA-N -1 0 304.350 2.112 50 0 DEAARM C[C@@H](C(=O)[O-])N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000054070423 402062245 /nfs/dbraw/zinc/06/22/45/402062245.db2.gz SLVWDPMCVNZTIR-ZETCQYMHSA-N -1 0 305.161 2.337 50 0 DEAARM Cc1cccc(Cn2[nH][n-]c3c(=O)n(-c4ccccc4)c(=O)c2=3)c1 ZINC000101167585 402143879 /nfs/dbraw/zinc/14/38/79/402143879.db2.gz IVSYLHPMOQHMOO-JKSUJKDBSA-N -1 0 320.352 2.488 50 0 DEAARM O=c1c2[n-][nH]n(Cc3cccc(F)c3)c=2c(=O)n1-c1ccccc1 ZINC000101417229 402144715 /nfs/dbraw/zinc/14/47/15/402144715.db2.gz ADHUWDJTSRIUFR-GJZGRUSLSA-N -1 0 324.315 2.319 50 0 DEAARM CCOc1ccc([C@H]2CC(C(=O)[O-])=Nc3ncnn32)cc1Cl ZINC000101347684 402144754 /nfs/dbraw/zinc/14/47/54/402144754.db2.gz VEWQWAFTPRMBQC-LLVKDONJSA-N -1 0 320.736 2.314 50 0 DEAARM O=C([O-])[C@H]1CC(=O)N(CCCn2ccnc2)[C@@H]1c1ccsc1 ZINC000069632860 402235677 /nfs/dbraw/zinc/23/56/77/402235677.db2.gz TVSNEYZGWQJQCS-GXTWGEPZSA-N -1 0 319.386 2.009 50 0 DEAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)C1 ZINC000108486225 402254341 /nfs/dbraw/zinc/25/43/41/402254341.db2.gz WCGMEJAIYJFJKF-VWYCJHECSA-N -1 0 309.312 2.392 50 0 DEAARM O=S(=O)([N-]C[C@H](O)C1CCCCC1)c1c(F)cccc1F ZINC000070636729 402262521 /nfs/dbraw/zinc/26/25/21/402262521.db2.gz IUTHSCROTRBLST-ZDUSSCGKSA-N -1 0 319.373 2.184 50 0 DEAARM CC1(C)[C@H](C(=O)Nc2cccc(N3CCCC3=O)c2)[C@@H]1C(=O)[O-] ZINC000071279646 402271670 /nfs/dbraw/zinc/27/16/70/402271670.db2.gz MCGLCJLHSMOCQN-UONOGXRCSA-N -1 0 316.357 2.109 50 0 DEAARM Cc1nn(C)cc1C(=O)/C=C/c1cccc(O[C@@H](C)C(=O)[O-])c1 ZINC000071844037 402287318 /nfs/dbraw/zinc/28/73/18/402287318.db2.gz JBAZTVHISBEAIB-GUOLPTJISA-N -1 0 314.341 2.477 50 0 DEAARM Cc1oc(-c2cccs2)nc1C(=O)NC1(C(=O)[O-])CCC1 ZINC000225551490 402320920 /nfs/dbraw/zinc/32/09/20/402320920.db2.gz QUGDRPSMVZFENQ-UHFFFAOYSA-N -1 0 306.343 2.449 50 0 DEAARM Cc1ncc(S(=O)(=O)N[C@@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000230099891 402347335 /nfs/dbraw/zinc/34/73/35/402347335.db2.gz VRXBMYYTBOXXFM-VIFPVBQESA-N -1 0 320.436 2.009 50 0 DEAARM Cc1ncc(S(=O)(=O)N[C@H](CC(=O)[O-])CC(C)(C)C)s1 ZINC000230099897 402347550 /nfs/dbraw/zinc/34/75/50/402347550.db2.gz VRXBMYYTBOXXFM-SECBINFHSA-N -1 0 320.436 2.009 50 0 DEAARM CC(C)[C@H](NC(=O)c1ccc(C(=O)[O-])o1)c1nc(C2CC2)no1 ZINC000236735880 402378845 /nfs/dbraw/zinc/37/88/45/402378845.db2.gz HZJRNKDTKWSAIQ-NSHDSACASA-N -1 0 319.317 2.365 50 0 DEAARM Cc1ccc([C@H](NC(=O)CN2CCC[C@H]2C(=O)[O-])C2CC2)cc1 ZINC000237638159 402416746 /nfs/dbraw/zinc/41/67/46/402416746.db2.gz ALPXXHDRXFFLLF-RDJZCZTQSA-N -1 0 316.401 2.111 50 0 DEAARM CCCO[C@@H]1CCCN(CC(=O)Nc2cccc(C(=O)[O-])c2)C1 ZINC000244884166 402451074 /nfs/dbraw/zinc/45/10/74/402451074.db2.gz YGPYJTXMCSAIOT-OAHLLOKOSA-N -1 0 320.389 2.214 50 0 DEAARM O=C([O-])CC[C@@H]1CCCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 ZINC000237994836 402430408 /nfs/dbraw/zinc/43/04/08/402430408.db2.gz NKLQGABLCODSNX-WFASDCNBSA-N -1 0 323.364 2.353 50 0 DEAARM O=C([O-])C1CCN(C(=O)CCCOc2ccccc2F)CC1 ZINC000238101236 402438120 /nfs/dbraw/zinc/43/81/20/402438120.db2.gz FZXOKWYKJYCURW-UHFFFAOYSA-N -1 0 309.337 2.308 50 0 DEAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2cc3ccccc3o2)CCO1 ZINC000238197299 402440608 /nfs/dbraw/zinc/44/06/08/402440608.db2.gz SKQMOLMDALFTOI-VBROQKIQSA-N -1 0 315.325 2.148 50 0 DEAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(Oc3ccccc3)ccn2)C1 ZINC000178259748 402476990 /nfs/dbraw/zinc/47/69/90/402476990.db2.gz PWARLPXINSLANH-LBPRGKRZSA-N -1 0 312.325 2.421 50 0 DEAARM CCC[C@H](NC(=O)c1c(Cl)n(C)nc1C(C)C)C(=O)[O-] ZINC000170592289 402506109 /nfs/dbraw/zinc/50/61/09/402506109.db2.gz LWAJUJOEALXULJ-QMMMGPOBSA-N -1 0 301.774 2.180 50 0 DEAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc3c(c2)OCO3)C1 ZINC000262012518 402721513 /nfs/dbraw/zinc/72/15/13/402721513.db2.gz WODAZTYWEYDOMD-LLVKDONJSA-N -1 0 305.330 2.132 50 0 DEAARM CCCn1[nH]ccc1=NC(=O)CN(C)[C@H](CC)c1ccncc1 ZINC000254825174 402671832 /nfs/dbraw/zinc/67/18/32/402671832.db2.gz FLZRWPPRUVMOAH-OAHLLOKOSA-N -1 0 315.421 2.132 50 0 DEAARM CS[C@@H](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC000262932795 402737237 /nfs/dbraw/zinc/73/72/37/402737237.db2.gz BMQCUZWTDPAJJS-HZMBPMFUSA-N -1 0 320.414 2.421 50 0 DEAARM CCc1nc([N-]S(=O)(=O)c2cccc3c2OC(C)(C)C3)no1 ZINC000192622291 402740917 /nfs/dbraw/zinc/74/09/17/402740917.db2.gz CEQTZGWLCRZJIW-UHFFFAOYSA-N -1 0 323.374 2.146 50 0 DEAARM COc1ccc(F)cc1CC(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)[O-] ZINC000263554969 402781162 /nfs/dbraw/zinc/78/11/62/402781162.db2.gz YIKIIQNYOKPROY-YNZJMPHRSA-N -1 0 321.348 2.089 50 0 DEAARM O=C([O-])CN(Cc1cccc(Br)c1)C(=O)C1CC1 ZINC000263215365 402747421 /nfs/dbraw/zinc/74/74/21/402747421.db2.gz PMUYZRSUPHTTET-UHFFFAOYSA-N -1 0 312.163 2.272 50 0 DEAARM Cc1cc(Cl)ccc1C(=O)N[C@@H](C(=O)[O-])[C@H]1CCCOC1 ZINC000263243395 402749620 /nfs/dbraw/zinc/74/96/20/402749620.db2.gz FNACLLRWBYALNL-GXFFZTMASA-N -1 0 311.765 2.258 50 0 DEAARM Cc1ccc(-c2cc(C(=O)N3CCC[C@]3(C)C(=O)[O-])[nH]n2)o1 ZINC000263486279 402773595 /nfs/dbraw/zinc/77/35/95/402773595.db2.gz VRHWTBFNPGRHRB-OAHLLOKOSA-N -1 0 303.318 2.057 50 0 DEAARM Cc1nc(-c2ccc(N(C)C[C@@H](C)C(=O)[O-])nc2)[nH]c(=O)c1C ZINC000263547490 402779916 /nfs/dbraw/zinc/77/99/16/402779916.db2.gz ICIFZUNNHSISIY-SECBINFHSA-N -1 0 316.361 2.018 50 0 DEAARM Cc1ccccc1OCCN(C)C(=O)c1cc(C(=O)[O-])co1 ZINC000183755103 402795616 /nfs/dbraw/zinc/79/56/16/402795616.db2.gz PWODWVICWNKNOQ-UHFFFAOYSA-N -1 0 303.314 2.437 50 0 DEAARM CC(C)(CCC(=O)[O-])NC(=O)c1ccn(-c2ccc(F)cc2)n1 ZINC000195541756 402850816 /nfs/dbraw/zinc/85/08/16/402850816.db2.gz NTPFKUFBGXSKCT-UHFFFAOYSA-N -1 0 319.336 2.385 50 0 DEAARM C[C@@H]1CC[C@@H]2C(=O)N([C@@H](CC(=O)[O-])c3ccco3)C(=O)[C@H]2C1 ZINC000245257201 296665483 /nfs/dbraw/zinc/66/54/83/296665483.db2.gz WWVINSFHAZLOQY-RHYQMDGZSA-N -1 0 305.330 2.217 50 0 DEAARM C[C@H](NC(=O)N(C)Cc1ccccc1C(F)(F)F)C(=O)[O-] ZINC000426522981 405366516 /nfs/dbraw/zinc/36/65/16/405366516.db2.gz RAJVBTACGFTHSO-QMMMGPOBSA-N -1 0 304.268 2.320 50 0 DEAARM COc1cc(C)ccc1OCCC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000583652311 405781891 /nfs/dbraw/zinc/78/18/91/405781891.db2.gz QCCQSZRVINUVOL-CYBMUJFWSA-N -1 0 321.373 2.096 50 0 DEAARM COc1cccc2c1CC[C@H]2N=c1[n-]c(C2CCOCC2)no1 ZINC000519692341 406235754 /nfs/dbraw/zinc/23/57/54/406235754.db2.gz AYWOZMNVPDLQII-CQSZACIVSA-N -1 0 315.373 2.494 50 0 DEAARM O=C([O-])c1cnn(C2CCN(C(=O)C3CCC=CCC3)CC2)c1 ZINC000634804249 406291891 /nfs/dbraw/zinc/29/18/91/406291891.db2.gz AKDPJOUNTBXWBE-UHFFFAOYSA-N -1 0 317.389 2.491 50 0 DEAARM CCc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)c1 ZINC000000152231 418413233 /nfs/dbraw/zinc/41/32/33/418413233.db2.gz DUHPZMLQVPNDIN-UHFFFAOYSA-N -1 0 320.370 2.216 50 0 DEAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1CC(=O)NCc1cccs1 ZINC000299745114 229385152 /nfs/dbraw/zinc/38/51/52/229385152.db2.gz WGPBCXGSVRCFEW-BNOWGMLFSA-N -1 0 322.430 2.082 50 0 DEAARM CCCNC(=O)CCc1c(C)[n-]n(-c2nc(C)c(C)s2)c1=O ZINC000101833193 424847291 /nfs/dbraw/zinc/84/72/91/424847291.db2.gz SLKGQTFMFNKVIO-UHFFFAOYSA-N -1 0 322.434 2.418 50 0 DEAARM CNC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2[n-]c(=S)oc2c1 ZINC000118780816 424852517 /nfs/dbraw/zinc/85/25/17/424852517.db2.gz XNLDYZVGWBVMDF-LLVKDONJSA-N -1 0 321.402 2.007 50 0 DEAARM O=S(=O)([N-]c1cnccc1-n1cccn1)c1ccc(F)cc1 ZINC000069600713 280339095 /nfs/dbraw/zinc/33/90/95/280339095.db2.gz MJJSISDSYMZOPS-UHFFFAOYSA-N -1 0 318.333 2.207 50 0 DEAARM Cc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)c1 ZINC000003865032 301192512 /nfs/dbraw/zinc/19/25/12/301192512.db2.gz MLBJLSZKKAXPTE-CYBMUJFWSA-N -1 0 311.403 2.240 50 0 DEAARM Cc1cc(NC(=O)c2nn(C)cc2C(=O)[O-])c2ccccc2n1 ZINC000020614443 301362742 /nfs/dbraw/zinc/36/27/42/301362742.db2.gz NPUKCDBMKRHNRB-UHFFFAOYSA-N -1 0 310.313 2.227 50 0 DEAARM Cc1cc2c(cc1C)O[C@H](C(=O)N1CCCC[C@@H]1C(=O)[O-])C2 ZINC000136487118 301441432 /nfs/dbraw/zinc/44/14/32/301441432.db2.gz LPUPKEBZBSIFSK-HIFRSBDPSA-N -1 0 303.358 2.073 50 0 DEAARM Cc1cc2c(cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-])OCO2 ZINC000006668246 301450004 /nfs/dbraw/zinc/45/00/04/301450004.db2.gz JZOMYLSRHYPZRD-WDEREUQCSA-N -1 0 303.314 2.329 50 0 DEAARM Cc1ccc(C)c(S(=O)(=O)N2C[C@@H](C(=O)[O-])CC[C@@H]2C)c1 ZINC000263505916 301553849 /nfs/dbraw/zinc/55/38/49/301553849.db2.gz MBRCSMHXPGCSCP-STQMWFEESA-N -1 0 311.403 2.177 50 0 DEAARM Cc1cnn(CCC(=O)N[C@@H](CC(=O)[O-])c2ccc(F)cc2)c1 ZINC000095960564 302401106 /nfs/dbraw/zinc/40/11/06/302401106.db2.gz NVDUCGSJRWNCGT-AWEZNQCLSA-N -1 0 319.336 2.053 50 0 DEAARM Cc1nc(C)c(C(=O)N2[C@H](C(=O)[O-])C[C@@H]3CCCC[C@@H]32)nc1C ZINC000263473573 302571087 /nfs/dbraw/zinc/57/10/87/302571087.db2.gz YPNVTDCPDAHQAC-IHRRRGAJSA-N -1 0 317.389 2.260 50 0 DEAARM Cc1cccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)n1 ZINC000096408028 484019529 /nfs/dbraw/zinc/01/95/29/484019529.db2.gz MSRRHFSZXFYDOV-UHFFFAOYSA-N -1 0 314.370 2.377 50 0 DEAARM COc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@H]2C(=O)[O-])c1 ZINC000240902761 533742921 /nfs/dbraw/zinc/74/29/21/533742921.db2.gz IVFDWKUYKMDZGN-ZNMIVQPWSA-N -1 0 303.358 2.264 50 0 DEAARM O=C([O-])C[C@@]1(c2ccccc2F)CC(=O)N(C2CCCC2)C1=O ZINC000299791214 534504890 /nfs/dbraw/zinc/50/48/90/534504890.db2.gz DLAWFSGLFDQWAD-QGZVFWFLSA-N -1 0 319.332 2.240 50 0 DEAARM O=C([O-])c1cccc(CNC(=O)[C@@H]2COc3ccccc3C2)c1 ZINC000299740705 534547355 /nfs/dbraw/zinc/54/73/55/534547355.db2.gz BFMGVPLDBLAAEB-HNNXBMFYSA-N -1 0 311.337 2.252 50 0 DEAARM CC(C)CCOc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000299750817 527775475 /nfs/dbraw/zinc/77/54/75/527775475.db2.gz OMVVNYUKQKZJDL-OAHLLOKOSA-N -1 0 321.373 2.037 50 0 DEAARM CC(C)(CC(=O)Nc1ccc2c(c1)CCCC(=O)N2)C(=O)[O-] ZINC000169987605 563902394 /nfs/dbraw/zinc/90/23/94/563902394.db2.gz JJXAILRLIQGRFP-UHFFFAOYSA-N -1 0 304.346 2.401 50 0 DEAARM O=C([O-])C1(CNC(=O)c2cc3cc(F)ccc3o2)CCOCC1 ZINC000191459009 605099721 /nfs/dbraw/zinc/09/97/21/605099721.db2.gz NURHRXOGMHIXPT-UHFFFAOYSA-N -1 0 321.304 2.183 50 0 DEAARM O=C([O-])c1ccc(/C=C\C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000888095917 635529307 /nfs/dbraw/zinc/52/93/07/635529307.db2.gz KONWVPISIKUMGC-HWYHOQROSA-N -1 0 314.385 2.095 50 0 DEAARM