smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN1CCC[C@@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000070417220 348887459 /nfs/dbraw/zinc/88/74/59/348887459.db2.gz DSBDHGIQYOEKAV-SECBINFHSA-N -1 3 258.347 0.172 10 0 CCAEHM CN1CCO[C@@H](CNC(=O)c2cccc([O-])c2)C1 ZINC000091672443 180224286 /nfs/dbraw/zinc/22/42/86/180224286.db2.gz LHSYCFOWLMJXBA-LBPRGKRZSA-N -1 3 250.298 0.453 10 0 CCAEHM CN(C)C[C@H]1CN(C(=O)c2cc(F)ccc2[O-])CCO1 ZINC000175240201 351123397 /nfs/dbraw/zinc/12/33/97/351123397.db2.gz NWXNBHMMMHLLAF-NSHDSACASA-N -1 3 282.315 0.934 10 0 CCAEHM CN1CCO[C@H](CNC(=O)/C=C/c2cncc([O-])c2)C1 ZINC000179463301 351268561 /nfs/dbraw/zinc/26/85/61/351268561.db2.gz CTNSAXUOCUPYGV-YWVDXFKGSA-N -1 3 277.324 0.247 10 0 CCAEHM CC[C@H](O)CN1CCN([C@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192604889 351791591 /nfs/dbraw/zinc/79/15/91/351791591.db2.gz HDNWASIUASFVRQ-OLZOCXBDSA-N -1 3 294.399 0.940 10 0 CCAEHM C[C@H](COc1ccccc1)NC(=O)[C@H](N)CC(=O)[O-] ZINC000213439535 351931959 /nfs/dbraw/zinc/93/19/59/351931959.db2.gz PBJKWVAWLJDXNY-MWLCHTKSSA-N -1 3 266.297 0.372 10 0 CCAEHM CN(CC(=O)[O-])[C@H]1CN(CCc2cccs2)C[C@H]1O ZINC000328603379 354235152 /nfs/dbraw/zinc/23/51/52/354235152.db2.gz FZKFETZPVQOHLC-NWDGAFQWSA-N -1 3 284.381 0.352 10 0 CCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000328952865 202127059 /nfs/dbraw/zinc/12/70/59/202127059.db2.gz NZCHFHMOBKZOQY-ISTVAULSSA-N -1 3 295.339 0.783 10 0 CCAEHM O=C([O-])C(=O)NC[C@H]1CCCN(Cc2cccnc2)C1 ZINC000364183230 357093066 /nfs/dbraw/zinc/09/30/66/357093066.db2.gz DXAZMKCBUBZENY-GFCCVEGCSA-N -1 3 277.324 0.494 10 0 CCAEHM O=C([O-])C(=O)NC[C@@H]1CCCN1CCc1ccccc1 ZINC000368138789 357326115 /nfs/dbraw/zinc/32/61/15/357326115.db2.gz LQWPYBSTXBNNIP-ZDUSSCGKSA-N -1 3 276.336 0.894 10 0 CCAEHM C[C@@H]1CCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)C1 ZINC000407993456 357856638 /nfs/dbraw/zinc/85/66/38/357856638.db2.gz YQDIACWAVOAFFN-MRVPVSSYSA-N -1 3 250.302 0.730 10 0 CCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCCNC2=O)c1 ZINC000407980848 357849586 /nfs/dbraw/zinc/84/95/86/357849586.db2.gz OECDSCJJGKOWRD-SECBINFHSA-N -1 3 286.357 0.021 10 0 CCAEHM CC(=O)N1CC[C@H](C(=O)Nc2nc(C)ccc2[O-])C1 ZINC000408189420 357959426 /nfs/dbraw/zinc/95/94/26/357959426.db2.gz NZYGLIZWBAKQGD-JTQLQIEISA-N -1 3 263.297 0.903 10 0 CCAEHM CCc1[n-][nH]c(=NC(=O)[C@@H]2CC(=O)N[C@@H](C)C2)c1C ZINC000408207519 357971161 /nfs/dbraw/zinc/97/11/61/357971161.db2.gz HYJBJCXWVZWACW-CBAPKCEASA-N -1 3 264.329 0.556 10 0 CCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CC[C@H]2CCC[C@@H]21 ZINC000330311129 202698952 /nfs/dbraw/zinc/69/89/52/202698952.db2.gz NSEILPMJGMNOCT-BDAKNGLRSA-N -1 3 251.286 0.780 10 0 CCAEHM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nnn[n-]1 ZINC000631674387 370631235 /nfs/dbraw/zinc/63/12/35/370631235.db2.gz IYXORVBJQQBFOZ-RYUDHWBXSA-N -1 3 292.387 0.608 10 0 CCAEHM CC[C@H]1CN2CCCC[C@H]2CN1C(=O)CCc1nn[n-]n1 ZINC000631674387 370631239 /nfs/dbraw/zinc/63/12/39/370631239.db2.gz IYXORVBJQQBFOZ-RYUDHWBXSA-N -1 3 292.387 0.608 10 0 CCAEHM Cc1noc(C[N-]S(=O)(=O)[C@@H]2C[C@@H]3CC[C@H]2C3)n1 ZINC000333088409 205020178 /nfs/dbraw/zinc/02/01/78/205020178.db2.gz ALUZSXFFTJIPTK-KXUCPTDWSA-N -1 3 271.342 0.986 10 0 CCAEHM CCO[C@@H]1COC[C@H]1[N-]S(=O)(=O)NC1CCCC1 ZINC000333128298 205054266 /nfs/dbraw/zinc/05/42/66/205054266.db2.gz WJRIEJULKRKGCN-GHMZBOCLSA-N -1 3 278.374 0.157 10 0 CCAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCN(C[C@@H](C)O)[C@@H](C)C2)n1 ZINC000248741562 285079049 /nfs/dbraw/zinc/07/90/49/285079049.db2.gz MAADFBFGPUHPLR-XQQFMLRXSA-N -1 3 294.399 0.939 10 0 CCAEHM C[C@@H]1NC(=O)CC[C@@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000393307734 285209697 /nfs/dbraw/zinc/20/96/97/285209697.db2.gz NWMJXYYKTYQXOX-CBAPKCEASA-N -1 3 273.296 0.355 10 0 CCAEHM O=C(N=c1[nH][n-]cc1Br)[C@H]1CC(F)(F)CN1 ZINC000335447213 389564446 /nfs/dbraw/zinc/56/44/46/389564446.db2.gz OFCQVVWGLBVJFN-RXMQYKEDSA-N -1 3 295.087 0.530 10 0 CCAEHM Cc1scc(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)c1C ZINC000374502297 389584628 /nfs/dbraw/zinc/58/46/28/389584628.db2.gz FSMQDLZUFXGIFW-CYBMUJFWSA-N -1 3 293.348 0.789 10 0 CCAEHM C[C@@H]1NC(=O)CC[C@H]1[N-]S(=O)(=O)c1ccccc1F ZINC000281713306 195348640 /nfs/dbraw/zinc/34/86/40/195348640.db2.gz AZBRIBSGBGFCMT-WCBMZHEXSA-N -1 3 286.328 0.771 10 0 CCAEHM N[C@H](CC(=O)[O-])C(=O)N1CCN(c2ccccc2)CC1 ZINC000085811163 135038243 /nfs/dbraw/zinc/03/82/43/135038243.db2.gz SVTAWBNZVVSGDX-GFCCVEGCSA-N -1 3 277.324 0.137 10 0 CCAEHM CCC(CC)NC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000020421217 171186951 /nfs/dbraw/zinc/18/69/51/171186951.db2.gz ZIQLYAZKLZZCPG-YUMQZZPRSA-N -1 3 279.358 0.568 10 0 CCAEHM CC(C(=O)N1CCCCCC1)S(=O)(=O)CCC(=O)[O-] ZINC000020421446 171186981 /nfs/dbraw/zinc/18/69/81/171186981.db2.gz SYRNXXUJHFHYKK-SNVBAGLBSA-N -1 3 291.369 0.667 10 0 CCAEHM CCN1CCC[C@@H]1Cn1nnnc1SCC(=O)[O-] ZINC000020588024 171259901 /nfs/dbraw/zinc/25/99/01/171259901.db2.gz IWYXZMJYIGANKD-MRVPVSSYSA-N -1 3 271.346 0.334 10 0 CCAEHM COc1ccccc1CCC(=O)Nc1c[nH]c(=O)[n-]c1=O ZINC000021027203 171291065 /nfs/dbraw/zinc/29/10/65/171291065.db2.gz DFUSSBJKQVTSBB-UHFFFAOYSA-N -1 3 289.291 0.643 10 0 CCAEHM CCCCCNC(=O)[C@@H](C)SC[C@H](N)C(=O)[O-] ZINC000035185123 172038881 /nfs/dbraw/zinc/03/88/81/172038881.db2.gz HXWQSNSTFMPCBM-BDAKNGLRSA-N -1 3 262.375 0.826 10 0 CCAEHM C[C@H](O)C[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000035599579 172288585 /nfs/dbraw/zinc/28/85/85/172288585.db2.gz QRWGGTZERNICQB-YFKPBYRVSA-N -1 3 282.724 0.720 10 0 CCAEHM O=C([O-])CCN1CCN(C[C@H]2CCCCO2)CC1 ZINC000035687175 172354855 /nfs/dbraw/zinc/35/48/55/172354855.db2.gz DJKAMTSABSWSBT-GFCCVEGCSA-N -1 3 256.346 0.648 10 0 CCAEHM Cc1cccc(C(=O)N2CCC[C@@](O)(C(N)=O)C2)c1[O-] ZINC000285569090 196329316 /nfs/dbraw/zinc/32/93/16/196329316.db2.gz PQVPKTQRDIBPEB-AWEZNQCLSA-N -1 3 278.308 0.153 10 0 CCAEHM Cc1nc(=O)n(CCN(C)C)c(C)c1CCC(=O)[O-] ZINC000037325933 173126873 /nfs/dbraw/zinc/12/68/73/173126873.db2.gz BPECDTOSUXDCJW-UHFFFAOYSA-N -1 3 267.329 0.439 10 0 CCAEHM CC[C@@H](C)N1C(=O)C[C@H](N(CC)CCC(=O)[O-])C1=O ZINC000038024205 174006918 /nfs/dbraw/zinc/00/69/18/174006918.db2.gz YIPAKDIGIMZJOE-ZJUUUORDSA-N -1 3 270.329 0.709 10 0 CCAEHM C[C@@H](C(=O)N1CCOCC1)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028023 174015777 /nfs/dbraw/zinc/01/57/77/174015777.db2.gz VYUODBLWINBVAU-NWDGAFQWSA-N -1 3 284.356 0.563 10 0 CCAEHM NCc1cc(=O)[n-]c(CNC(=O)[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000662749420 414759377 /nfs/dbraw/zinc/75/93/77/414759377.db2.gz LXMZUCOKGPSFIJ-AYMMMOKOSA-N -1 3 262.313 0.303 10 0 CCAEHM COC[C@@H](O)CN(C)S(=O)(=O)c1ccc([O-])cc1 ZINC000042526773 174776629 /nfs/dbraw/zinc/77/66/29/174776629.db2.gz NCALJOZRWANICH-JTQLQIEISA-N -1 3 275.326 0.020 10 0 CCAEHM CC(C)C[C@@H](N)C(=O)NC[C@H](C(=O)[O-])C1CCC1 ZINC000663278987 415034159 /nfs/dbraw/zinc/03/41/59/415034159.db2.gz DBBYULUQLNRIGU-WDEREUQCSA-N -1 3 256.346 0.977 10 0 CCAEHM Cn1ncnc1-c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266381 545886583 /nfs/dbraw/zinc/88/65/83/545886583.db2.gz QLLRGHZQAJLYCM-UHFFFAOYSA-N -1 3 250.262 0.556 10 0 CCAEHM Cn1ncnc1-c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266381 545886588 /nfs/dbraw/zinc/88/65/88/545886588.db2.gz QLLRGHZQAJLYCM-UHFFFAOYSA-N -1 3 250.262 0.556 10 0 CCAEHM C[C@H](CNC(=O)c1cccc2nn[n-]c21)N1CCOCC1 ZINC000182708138 544764229 /nfs/dbraw/zinc/76/42/29/544764229.db2.gz ZRVYIZXLCFBOHD-SNVBAGLBSA-N -1 3 289.339 0.408 10 0 CCAEHM C[C@H](CNC(=O)c1cccc2[n-]nnc21)N1CCOCC1 ZINC000182708138 544764235 /nfs/dbraw/zinc/76/42/35/544764235.db2.gz ZRVYIZXLCFBOHD-SNVBAGLBSA-N -1 3 289.339 0.408 10 0 CCAEHM C[C@H](CNC(=O)c1cccc2n[n-]nc21)N1CCOCC1 ZINC000182708138 544764238 /nfs/dbraw/zinc/76/42/38/544764238.db2.gz ZRVYIZXLCFBOHD-SNVBAGLBSA-N -1 3 289.339 0.408 10 0 CCAEHM CC(C)[C@@H](N)C(=O)N1CCC2(CC(C(=O)[O-])C2)C1 ZINC000095087974 279870339 /nfs/dbraw/zinc/87/03/39/279870339.db2.gz VSULJGYKPVLULR-RUETXSTFSA-N -1 3 254.330 0.683 10 0 CCAEHM C[C@H](CNS(=O)(=O)CCC(=O)[O-])CN1CCCCC1 ZINC000038041981 298773908 /nfs/dbraw/zinc/77/39/08/298773908.db2.gz XFPLZJQOMUNALQ-LLVKDONJSA-N -1 3 292.401 0.503 10 0 CCAEHM Cc1cc(N2CCNC[C@@H]2C(=O)[O-])nc(Cl)n1 ZINC000095068831 301338902 /nfs/dbraw/zinc/33/89/02/301338902.db2.gz CGGIRAFKQHPWHO-SSDOTTSWSA-N -1 3 256.693 0.301 10 0 CCAEHM N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)[O-])C1CC1 ZINC000054523805 527337880 /nfs/dbraw/zinc/33/78/80/527337880.db2.gz HECOPLFOPOPZIA-RYUDHWBXSA-N -1 3 262.309 0.536 10 0 CCAEHM O=C(c1c([O-])cccc1O)N1CC(n2cccn2)C1 ZINC000678342890 545389499 /nfs/dbraw/zinc/38/94/99/545389499.db2.gz FLKUEWAJHCQLGV-UHFFFAOYSA-N -1 3 259.265 0.991 10 0 CCAEHM C[C@H](CC(C)(C)C)C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000681284777 545449287 /nfs/dbraw/zinc/44/92/87/545449287.db2.gz VUXTXSLDMWJEJY-YMTOWFKASA-N -1 3 281.356 0.869 10 0 CCAEHM N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000013523894 571702934 /nfs/dbraw/zinc/70/29/34/571702934.db2.gz VNYDHJARLHNEGA-NEPJUHHUSA-N -1 3 278.308 0.338 10 0 endogenous,in-man CCAEHM CC[C@@H](C)[C@H](N)C(=O)N[C@H](CCSC)C(=O)[O-] ZINC000040490715 574414820 /nfs/dbraw/zinc/41/48/20/574414820.db2.gz TUYOFUHICRWDGA-HLTSFMKQSA-N -1 3 262.375 0.682 10 0 endogenous,in-vitro CCAEHM c1nc2c(c(N3CCC(c4nnn[n-]4)CC3)n1)CCC2 ZINC000738451091 582052021 /nfs/dbraw/zinc/05/20/21/582052021.db2.gz BQYKOHANXKLSCZ-UHFFFAOYSA-N -1 3 271.328 0.862 10 0 CCAEHM c1nc2c(c(N3CCC(c4nn[n-]n4)CC3)n1)CCC2 ZINC000738451091 582052022 /nfs/dbraw/zinc/05/20/22/582052022.db2.gz BQYKOHANXKLSCZ-UHFFFAOYSA-N -1 3 271.328 0.862 10 0 CCAEHM O=C([O-])[C@@H]1CCCN(CC2CCS(=O)(=O)CC2)C1 ZINC000692425590 954698016 /nfs/dbraw/zinc/69/80/16/954698016.db2.gz JWEQCTNHMUOXLJ-LLVKDONJSA-N -1 3 275.370 0.608 10 0 CCAEHM O=C([O-])[C@H]1CCCN(CC2CCS(=O)(=O)CC2)C1 ZINC000692425592 954698039 /nfs/dbraw/zinc/69/80/39/954698039.db2.gz JWEQCTNHMUOXLJ-NSHDSACASA-N -1 3 275.370 0.608 10 0 CCAEHM C[C@H](O)C[C@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000694774445 954788200 /nfs/dbraw/zinc/78/82/00/954788200.db2.gz IANPOHMZLQOKHO-TUAOUCFPSA-N -1 3 284.356 0.297 10 0 CCAEHM CCCN(CC(=O)[O-])CC1(CS(C)(=O)=O)CC1 ZINC000696795086 954820595 /nfs/dbraw/zinc/82/05/95/954820595.db2.gz HEFJPNWJEOYMPG-UHFFFAOYSA-N -1 3 263.359 0.608 10 0 CCAEHM C[C@H](CN1CC[C@H](C(=O)[O-])[C@H](C)C1)CS(C)(=O)=O ZINC000705567282 954935299 /nfs/dbraw/zinc/93/52/99/954935299.db2.gz BXKOHETXQIWCSK-MXWKQRLJSA-N -1 3 277.386 0.710 10 0 CCAEHM COC[C@]1(C(=O)[O-])CN(CC2CC(OC)C2)CCO1 ZINC000711526746 955044233 /nfs/dbraw/zinc/04/42/33/955044233.db2.gz FJAPKMUIGMEPNQ-XIVSLSHWSA-N -1 3 273.329 0.213 10 0 CCAEHM COC[C@]1(C(=O)[O-])CN(CC2(SC)CC2)CCO1 ZINC000711542998 955048330 /nfs/dbraw/zinc/04/83/30/955048330.db2.gz WBYQRIYTYKVVLY-LBPRGKRZSA-N -1 3 275.370 0.684 10 0 CCAEHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)C1(C(=O)[O-])CC1 ZINC000720887689 969112814 /nfs/dbraw/zinc/11/28/14/969112814.db2.gz LSVZFWXMINSMPL-UWVGGRQHSA-N -1 3 252.314 0.546 10 0 CCAEHM C[C@@H]1CCCCN1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000829132591 969206871 /nfs/dbraw/zinc/20/68/71/969206871.db2.gz RETQXRRYXBQSIV-LLVKDONJSA-N -1 3 271.361 0.929 10 0 CCAEHM CN1C[C@H](CCNCc2cc(C(=O)[O-])co2)CC1=O ZINC000687647792 976151455 /nfs/dbraw/zinc/15/14/55/976151455.db2.gz PHTKDDZTSNEGKX-SECBINFHSA-N -1 3 266.297 0.936 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCC[C@H]1C1CCC1 ZINC000688172716 976172929 /nfs/dbraw/zinc/17/29/29/976172929.db2.gz DCDZCRXLDLKJBF-MNOVXSKESA-N -1 3 254.330 0.970 10 0 CCAEHM C/C(=C/CNC(=O)N(CCN(C)C)C(C)C)C(=O)[O-] ZINC000688294350 976174605 /nfs/dbraw/zinc/17/46/05/976174605.db2.gz WLQZPCSJDYWPGG-WDZFZDKYSA-N -1 3 271.361 0.999 10 0 CCAEHM CC[C@H](C)C[C@H](N)C(=O)N1CCC[C@]1(COC)C(=O)[O-] ZINC000692389729 976443359 /nfs/dbraw/zinc/44/33/59/976443359.db2.gz UTUILXPDMAQVCX-MJVIPROJSA-N -1 3 286.372 0.842 10 0 CCAEHM C/C(=C/CNC(=O)N(C)[C@H]1CCCN(C)C1)C(=O)[O-] ZINC000692506584 976516110 /nfs/dbraw/zinc/51/61/10/976516110.db2.gz YQKQWKHGRYVPQO-YAEJEKNGSA-N -1 3 269.345 0.753 10 0 CCAEHM C[C@H](CNC(=O)[C@H](N)CCC(=O)[O-])c1ccccn1 ZINC000692727119 976541460 /nfs/dbraw/zinc/54/14/60/976541460.db2.gz HDLWUFPBEFKYCQ-NXEZZACHSA-N -1 3 265.313 0.493 10 0 CCAEHM C[C@]1(CO)C[C@@H](O)CN1Cc1ccc(C(=O)[O-])o1 ZINC000698113699 976877818 /nfs/dbraw/zinc/87/78/18/976877818.db2.gz JTXWTTCOFYLZLE-PRHODGIISA-N -1 3 255.270 0.295 10 0 CCAEHM Cc1oc(C(=O)[O-])cc1CN1C[C@H](O)C[C@]1(C)CO ZINC000698138656 976880323 /nfs/dbraw/zinc/88/03/23/976880323.db2.gz PRYDWQLDRRBVJI-ZWNOBZJWSA-N -1 3 269.297 0.604 10 0 CCAEHM O=C([O-])C1(CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000708832236 977445753 /nfs/dbraw/zinc/44/57/53/977445753.db2.gz ZNUUREBODKTRHE-ZJUUUORDSA-N -1 3 273.354 0.503 10 0 CCAEHM C[C@@H]1[C@@H](C(=O)[O-])CCN1C[C@@H]1CCCS1(=O)=O ZINC000710677143 977520252 /nfs/dbraw/zinc/52/02/52/977520252.db2.gz JKOMQPANBKOSOS-UTLUCORTSA-N -1 3 261.343 0.359 10 0 CCAEHM C[C@@H](O)CN(CCO)Cc1cc(C(=O)[O-])cs1 ZINC000711464692 977548730 /nfs/dbraw/zinc/54/87/30/977548730.db2.gz IHLQJAZLQLIIJP-MRVPVSSYSA-N -1 3 259.327 0.621 10 0 CCAEHM CSCC[C@H](N)C(=O)NC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000714771874 977677651 /nfs/dbraw/zinc/67/76/51/977677651.db2.gz DUDANRKTSRTXLB-ACZMJKKPSA-N -1 3 282.312 0.149 10 0 CCAEHM Cc1nnsc1CNC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715281935 977723718 /nfs/dbraw/zinc/72/37/18/977723718.db2.gz GQROAUYCMDYAKO-FSPLSTOPSA-N -1 3 263.269 0.902 10 0 CCAEHM CN(C(=O)NC1CC(CC(=O)[O-])C1)[C@H]1CCCN(C)C1 ZINC000718128710 977955752 /nfs/dbraw/zinc/95/57/52/977955752.db2.gz LUTOBJNTGPKMHW-MCIGGMRASA-N -1 3 283.372 0.975 10 0 CCAEHM C[C@H]1[C@@H](NC(=O)NC2CC(CC(=O)[O-])C2)CCN1C ZINC000719399200 978002309 /nfs/dbraw/zinc/00/23/09/978002309.db2.gz ZJCPLKQGUCZJHC-PMUOWJKOSA-N -1 3 269.345 0.632 10 0 CCAEHM CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCCC(=O)[O-] ZINC000720861969 978069895 /nfs/dbraw/zinc/06/98/95/978069895.db2.gz UNSAHLXOGNQVCV-GHMZBOCLSA-N -1 3 269.345 0.729 10 0 CCAEHM CN(C)CCN(C)C(=O)NCC(C)(C)CC(=O)[O-] ZINC000720889277 978075068 /nfs/dbraw/zinc/07/50/68/978075068.db2.gz JOFUHZJPTPISJY-UHFFFAOYSA-N -1 3 259.350 0.690 10 0 CCAEHM C[C@@H]1CN(CC(=O)NC(=O)NC2CC2)C[C@H]1CC(=O)[O-] 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CXHYPSSCIAJKAN-HTQZYQBOSA-N -1 3 265.331 0.179 10 0 CCAEHM CCCc1nnc(SCC(=O)[O-])n1CCN(C)C ZINC000020591450 171261219 /nfs/dbraw/zinc/26/12/19/171261219.db2.gz WRUIJEDODPEOBG-UHFFFAOYSA-N -1 3 272.374 0.969 10 0 CCAEHM N[C@H](CSCN1C(=O)c2ccccc2C1=O)C(=O)[O-] ZINC000035296157 172107534 /nfs/dbraw/zinc/10/75/34/172107534.db2.gz ZCJZSOLYLCXZFZ-SECBINFHSA-N -1 3 280.305 0.385 10 0 CCAEHM O=C([O-])CCNCC(=O)N1CCc2ccccc2C1 ZINC000035386301 172168018 /nfs/dbraw/zinc/16/80/18/172168018.db2.gz BTMQVELIFZWYMK-UHFFFAOYSA-N -1 3 262.309 0.636 10 0 CCAEHM COC(=O)c1ccc(Oc2nc[n-]c(=O)c2N)cc1 ZINC000040700759 174379038 /nfs/dbraw/zinc/37/90/38/174379038.db2.gz NAEMLGJUSJBFJS-UHFFFAOYSA-N -1 3 261.237 0.931 10 0 CCAEHM Cc1nnc(NCc2nc(CN)cc(=O)[n-]2)s1 ZINC000663277555 415033956 /nfs/dbraw/zinc/03/39/56/415033956.db2.gz UCZRQWZJACNAPH-UHFFFAOYSA-N -1 3 252.303 0.413 10 0 CCAEHM CCN(CCC(=O)[O-])C(=O)NC[C@H]1CCCN(C)C1 ZINC000044560189 175204162 /nfs/dbraw/zinc/20/41/62/175204162.db2.gz 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/nfs/dbraw/zinc/34/40/27/521344027.db2.gz PKDRQVJNFFLQQF-VIFPVBQESA-N -1 3 285.369 0.705 10 0 CCAEHM CCCn1c(=O)[n-]nc1SC[C@@H]([NH2+]CC)C(=O)[O-] ZINC000061607946 521614918 /nfs/dbraw/zinc/61/49/18/521614918.db2.gz VXHNFIYXYPWRRG-SSDOTTSWSA-N -1 3 274.346 0.136 10 0 CCAEHM CN(C(=O)N(C)C(C)(C)C(=O)[O-])[C@H]1CCCN(C)C1 ZINC000061177610 523858273 /nfs/dbraw/zinc/85/82/73/523858273.db2.gz RNPPUQMYBUIPBZ-JTQLQIEISA-N -1 3 271.361 0.927 10 0 CCAEHM Nc1csc(S(=O)(=O)[N-][C@@H]2CCN3CCC[C@H]23)c1 ZINC000049563916 527540098 /nfs/dbraw/zinc/54/00/98/527540098.db2.gz IHJSAPPFPYAUPD-NXEZZACHSA-N -1 3 287.410 0.845 10 0 CCAEHM O=C(C=Cc1ccccc1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000083856645 527632934 /nfs/dbraw/zinc/63/29/34/527632934.db2.gz HGPJQZSXWBDOIB-LFAOLKIESA-N -1 3 285.303 0.510 10 0 CCAEHM CCN=c1[n-]c(C(=O)N2C[C@H](C)C[C@H](O)C2)cs1 ZINC000412416925 527997486 /nfs/dbraw/zinc/99/74/86/527997486.db2.gz YLMIKMCUEKSRPY-BDAKNGLRSA-N -1 3 269.370 0.840 10 0 CCAEHM N[C@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000013523891 571703046 /nfs/dbraw/zinc/70/30/46/571703046.db2.gz VNYDHJARLHNEGA-VXGBXAGGSA-N -1 3 278.308 0.338 10 0 endogenous,in-man CCAEHM CC(C)[C@@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000014825020 571725400 /nfs/dbraw/zinc/72/54/00/571725400.db2.gz OYOQKMOWUDVWCR-VXGBXAGGSA-N -1 3 280.324 0.487 10 0 endogenous,in-man CCAEHM CCN1CCO[C@H](CNc2cc(=O)[n-]c(C)n2)C1 ZINC000162902932 630975300 /nfs/dbraw/zinc/97/53/00/630975300.db2.gz UTNBATKHWDXMJG-SNVBAGLBSA-N -1 3 252.318 0.623 10 0 CCAEHM Cc1nc(CC(=O)NCc2nccs2)c(C)c(=O)[n-]1 ZINC000222935219 636889769 /nfs/dbraw/zinc/88/97/69/636889769.db2.gz BZLHFWDUGREEDY-UHFFFAOYSA-N -1 3 278.337 0.702 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)NCC[C@@H]1CC1(F)F ZINC000701977051 977058542 /nfs/dbraw/zinc/05/85/42/977058542.db2.gz LDFSZLPUFAWMJR-RNFRBKRXSA-N -1 3 250.245 0.340 10 0 CCAEHM O=C([O-])CN1CC[C@@H](N2CCC3(CCC3)CC2)C1=O ZINC000694769441 954788320 /nfs/dbraw/zinc/78/83/20/954788320.db2.gz VQYOPOVMGGZVKP-LLVKDONJSA-N -1 3 266.341 0.938 10 0 CCAEHM O=C([O-])[C@@H]1CCCN([C@H]2CCN(C3CC3)C2=O)C1 ZINC000694774774 954788755 /nfs/dbraw/zinc/78/87/55/954788755.db2.gz XOKPWDWHPSISCM-KOLCDFICSA-N -1 3 252.314 0.546 10 0 CCAEHM COC[C@H]1CCCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000694796272 954793393 /nfs/dbraw/zinc/79/33/93/954793393.db2.gz VPZWFOIVXVCZJO-WDEREUQCSA-N -1 3 270.329 0.030 10 0 CCAEHM O=C([O-])c1cccc(CN2CCC(CO)(CO)C2)c1 ZINC000703677723 954915110 /nfs/dbraw/zinc/91/51/10/954915110.db2.gz LGXSRXNFHCGRHW-UHFFFAOYSA-N -1 3 265.309 0.562 10 0 CCAEHM COC[C@@]1(C(=O)[O-])CCN(C[C@H](C)CS(C)(=O)=O)C1 ZINC000705591481 954937714 /nfs/dbraw/zinc/93/77/14/954937714.db2.gz QSLQQIQRMGHMEP-CMPLNLGQSA-N -1 3 293.385 0.090 10 0 CCAEHM CC1(C)CC[C@H](CNCCS(=O)(=O)CC(=O)[O-])O1 ZINC000709343322 955009566 /nfs/dbraw/zinc/00/95/66/955009566.db2.gz LLQPJQPRYYNRKX-SECBINFHSA-N -1 3 279.358 0.033 10 0 CCAEHM CN(CCCC(=O)[O-])Cc1cnc2n1CCOC2 ZINC000722861433 955199606 /nfs/dbraw/zinc/19/96/06/955199606.db2.gz QVPUSGPNCWROSX-UHFFFAOYSA-N -1 3 253.302 0.710 10 0 CCAEHM C[C@@H](CNC(=O)NC[C@@H]1CCN1C(C)(C)C)C(=O)[O-] ZINC000690049598 968898841 /nfs/dbraw/zinc/89/88/41/968898841.db2.gz HBKZMVBTHYHKKS-UWVGGRQHSA-N -1 3 271.361 0.879 10 0 CCAEHM CN(C)CCN(CC(=O)[O-])C(=O)C[C@@H]1CC[C@@H]2C[C@@H]21 ZINC000717700052 969094306 /nfs/dbraw/zinc/09/43/06/969094306.db2.gz CLKHBVXKSIKQSB-WOPDTQHZSA-N -1 3 268.357 0.897 10 0 CCAEHM CN(Cc1oncc1C(=O)[O-])C[C@H]1CCC[C@H]1O ZINC000689233608 976243816 /nfs/dbraw/zinc/24/38/16/976243816.db2.gz WOWZHDJXXZKGFA-PSASIEDQSA-N -1 3 254.286 0.966 10 0 CCAEHM CN(C(=O)[C@@H](N)CC(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693003654 976561605 /nfs/dbraw/zinc/56/16/05/976561605.db2.gz MYIYWRNKOYXVKI-XVMARJQXSA-N -1 3 250.245 0.291 10 0 CCAEHM C[C@@H]1CN(C[C@H]2CCCS2(=O)=O)C[C@H]1C(=O)[O-] ZINC000694420043 976693671 /nfs/dbraw/zinc/69/36/71/976693671.db2.gz FEJWJCOQEMVQCJ-OPRDCNLKSA-N -1 3 261.343 0.216 10 0 CCAEHM C[C@]1(CO)C[C@H](O)CN1Cc1ccc(C(=O)[O-])o1 ZINC000698113701 976877907 /nfs/dbraw/zinc/87/79/07/976877907.db2.gz JTXWTTCOFYLZLE-QPUJVOFHSA-N -1 3 255.270 0.295 10 0 CCAEHM CCS(=O)(=O)CCN1C[C@@H]2CCC[C@]2(C(=O)[O-])C1 ZINC000701458185 977015351 /nfs/dbraw/zinc/01/53/51/977015351.db2.gz QQKUDRSWWSVOSI-JQWIXIFHSA-N -1 3 275.370 0.608 10 0 CCAEHM CN(C)C[C@H](N)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000702416033 977082996 /nfs/dbraw/zinc/08/29/96/977082996.db2.gz FAJMZAATSOYOBN-NSHDSACASA-N -1 3 265.313 0.141 10 0 CCAEHM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)NCCN1CCCCC1 ZINC000715272664 977718610 /nfs/dbraw/zinc/71/86/10/977718610.db2.gz RDXNCOWSRKXMPE-GHMZBOCLSA-N -1 3 269.345 0.492 10 0 CCAEHM CC1(CNC(=O)[C@@H](N)CCC(=O)[O-])CC(F)(F)C1 ZINC000720967012 978090636 /nfs/dbraw/zinc/09/06/36/978090636.db2.gz MGYQDVHSFRIFCY-ZETCQYMHSA-N -1 3 264.272 0.730 10 0 CCAEHM C[C@@H]1CN(CCCCS(C)(=O)=O)C[C@H]1CC(=O)[O-] ZINC000722706565 978165366 /nfs/dbraw/zinc/16/53/66/978165366.db2.gz XALJJCJMWZZMEP-GHMZBOCLSA-N -1 3 277.386 0.854 10 0 CCAEHM C[C@H]1[C@H](NC(=O)Nc2c(C(=O)[O-])cnn2C)CCN1C ZINC000725218122 978260238 /nfs/dbraw/zinc/26/02/38/978260238.db2.gz FSSYXDUMLGMXCL-IONNQARKSA-N -1 3 281.316 0.332 10 0 CCAEHM Cn1nc(C(=O)[O-])cc1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000725224624 978271888 /nfs/dbraw/zinc/27/18/88/978271888.db2.gz UCJIEIUFHRYAOX-MRVPVSSYSA-N -1 3 281.316 0.334 10 0 CCAEHM CC[C@@H](C)[C@@H](NC(=O)[C@@H](N)CC(=O)[O-])C(=O)OC(C)C ZINC000096902645 185128281 /nfs/dbraw/zinc/12/82/81/185128281.db2.gz VGSMTQKHRVZRTE-WCABBAIRSA-N -1 3 288.344 0.271 10 0 CCAEHM O=c1[n-]cnc2ncc(I)nc12 ZINC000095830808 349615798 /nfs/dbraw/zinc/61/57/98/349615798.db2.gz JIHPWXFQJJWWFC-UHFFFAOYSA-N -1 3 274.021 0.730 10 0 CCAEHM COc1ccc(C(=O)N2CCO[C@H](CN(C)C)C2)c([O-])c1 ZINC000116978292 349878887 /nfs/dbraw/zinc/87/88/87/349878887.db2.gz JVILXPLUKYCOEJ-GFCCVEGCSA-N -1 3 294.351 0.803 10 0 CCAEHM CO[C@H]1C[C@@H](CO)N(C(=O)c2ccccc2[O-])C1 ZINC000310766087 232015739 /nfs/dbraw/zinc/01/57/39/232015739.db2.gz BSZGRJFXVRQLSB-UWVGGRQHSA-N -1 3 251.282 0.614 10 0 CCAEHM COC(=O)c1cccc(NC(=O)[C@H](N)CC(=O)[O-])c1 ZINC000085817571 179180512 /nfs/dbraw/zinc/18/05/12/179180512.db2.gz FBRPMWKGBZUNMD-SECBINFHSA-N -1 3 266.253 0.214 10 0 CCAEHM CCO[C@@H]1NC(=O)[N-]C(=O)[C@]1(F)Br ZINC000005711479 348002697 /nfs/dbraw/zinc/00/26/97/348002697.db2.gz RLKACUXEWXWIRR-UJURSFKZSA-N -1 3 255.043 0.249 10 0 CCAEHM C[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000028005840 348104308 /nfs/dbraw/zinc/10/43/08/348104308.db2.gz DADLXGFKJVGHGU-KOLCDFICSA-N -1 3 250.298 0.536 10 0 CCAEHM C[C@@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085817999 349335821 /nfs/dbraw/zinc/33/58/21/349335821.db2.gz GPPRWHIUOAXMJM-KWQFWETISA-N -1 3 268.288 0.675 10 0 CCAEHM O=S(=O)([N-][C@@H]1CCCCC[C@H]1O)c1c[nH]cn1 ZINC000135880185 350408711 /nfs/dbraw/zinc/40/87/11/350408711.db2.gz MRGDJWJNVKDIPO-RKDXNWHRSA-N -1 3 259.331 0.382 10 0 CCAEHM CN1CCCN(C(=O)/C=C/c2cncc([O-])c2)CC1=O ZINC000190369268 351720046 /nfs/dbraw/zinc/72/00/46/351720046.db2.gz OZCGAABIAALMMQ-ONEGZZNKSA-N -1 3 275.308 0.491 10 0 CCAEHM C[C@@H]([N-]C(=O)C(F)F)c1ccc(S(N)(=O)=O)cc1 ZINC000217620660 351949109 /nfs/dbraw/zinc/94/91/09/351949109.db2.gz DTGIPISVAHILMX-ZCFIWIBFSA-N -1 3 278.280 0.776 10 0 CCAEHM NC(=O)[C@@H]1COCCN1C(=O)c1cc([O-])ccc1Cl ZINC000236175832 352192490 /nfs/dbraw/zinc/19/24/90/352192490.db2.gz STZMHFSFUJAGBK-JTQLQIEISA-N -1 3 284.699 0.372 10 0 CCAEHM Cc1cc(=O)[n-]c([C@@H](C)N2CCN3C(=O)NC[C@H]3C2)n1 ZINC000248719960 352455632 /nfs/dbraw/zinc/45/56/32/352455632.db2.gz GGDJXZOYTXXTRZ-ZJUUUORDSA-N -1 3 277.328 0.261 10 0 CCAEHM COc1ccc([C@H](C)NCc2nc(=O)[n-][nH]2)cc1OC ZINC000271647277 191258046 /nfs/dbraw/zinc/25/80/46/191258046.db2.gz HFYGYGCHHIELEH-QMMMGPOBSA-N -1 3 278.312 0.966 10 0 CCAEHM O=c1[n-]cnc2c1CN(S(=O)(=O)NC1CCCC1)CC2 ZINC000290672106 353741417 /nfs/dbraw/zinc/74/14/17/353741417.db2.gz GKNUKMUOXGYYOH-UHFFFAOYSA-N -1 3 298.368 0.317 10 0 CCAEHM Brc1cncnc1NCCc1nnn[n-]1 ZINC000307272121 354179179 /nfs/dbraw/zinc/17/91/79/354179179.db2.gz NSMJHVWHWJVJBA-UHFFFAOYSA-N -1 3 270.094 0.407 10 0 CCAEHM Brc1cncnc1NCCc1nn[n-]n1 ZINC000307272121 354179182 /nfs/dbraw/zinc/17/91/82/354179182.db2.gz NSMJHVWHWJVJBA-UHFFFAOYSA-N -1 3 270.094 0.407 10 0 CCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000328952863 202128748 /nfs/dbraw/zinc/12/87/48/202128748.db2.gz NZCHFHMOBKZOQY-BFVZDQMLSA-N -1 3 295.339 0.783 10 0 CCAEHM C[C@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)[C@@H](C)CN1C ZINC000407987673 357852476 /nfs/dbraw/zinc/85/24/76/357852476.db2.gz DXBZUBZTVUMQHH-UWVGGRQHSA-N -1 3 293.371 0.413 10 0 CCAEHM CC[C@]1(C)CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCO1 ZINC000407993620 357856610 /nfs/dbraw/zinc/85/66/10/357856610.db2.gz ZKNZPBRGUCMUCT-CQSZACIVSA-N -1 3 294.355 0.889 10 0 CCAEHM CN(C)c1nc(C(=O)N2CCC[C@@H](O)CC2)cc(=O)[n-]1 ZINC000408178489 357955048 /nfs/dbraw/zinc/95/50/48/357955048.db2.gz RBEIUPQYZZXNKK-SECBINFHSA-N -1 3 280.328 0.235 10 0 CCAEHM C[C@@H]1CCCN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)[C@H]1CO ZINC000408400254 358073603 /nfs/dbraw/zinc/07/36/03/358073603.db2.gz QEPKXUNVTKCTHJ-KOLCDFICSA-N -1 3 294.355 0.481 10 0 CCAEHM O=C([O-])c1cccc([C@@H]2CN(CCO)CCN2)c1 ZINC000616634227 365393114 /nfs/dbraw/zinc/39/31/14/365393114.db2.gz NQSIZSRTHYFGQY-LBPRGKRZSA-N -1 3 250.298 0.323 10 0 CCAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1ccc(Cl)s1 ZINC000625599313 368265952 /nfs/dbraw/zinc/26/59/52/368265952.db2.gz XPJIDDRAMOJOJG-NKWVEPMBSA-N -1 3 297.785 0.830 10 0 CCAEHM O=S(=O)([N-][C@@H]1COc2ccccc21)C1COC1 ZINC000276302318 193277772 /nfs/dbraw/zinc/27/77/72/193277772.db2.gz KRVPUZPXAXLCAS-SNVBAGLBSA-N -1 3 255.295 0.438 10 0 CCAEHM CCN=c1[n-]c(C(=O)N[C@@H]2CCC(=O)N[C@H]2C)cs1 ZINC000443376462 249024451 /nfs/dbraw/zinc/02/44/51/249024451.db2.gz WSSCTJQTRPBHCB-JGVFFNPUSA-N -1 3 282.369 0.394 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@@H](c3nnn[n-]3)C[C@H]2C1 ZINC000012506806 388786037 /nfs/dbraw/zinc/78/60/37/388786037.db2.gz KPJGJAMQQDPGGT-UWVGGRQHSA-N -1 3 294.359 0.608 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@@H](c3nn[n-]n3)C[C@H]2C1 ZINC000012506806 388786041 /nfs/dbraw/zinc/78/60/41/388786041.db2.gz KPJGJAMQQDPGGT-UWVGGRQHSA-N -1 3 294.359 0.608 10 0 CCAEHM CCN1CCC[C@@H](NS(=O)(=O)c2ncc[n-]2)C1 ZINC000310271399 389096131 /nfs/dbraw/zinc/09/61/31/389096131.db2.gz NKMJHGDFVIRSOF-SECBINFHSA-N -1 3 258.347 0.172 10 0 CCAEHM Cc1cnc(C[N-]S(=O)(=O)N2C[C@@H](C)OC[C@@H]2C)o1 ZINC000175601917 389544225 /nfs/dbraw/zinc/54/42/25/389544225.db2.gz HFFPRMXJXBZCFN-WCBMZHEXSA-N -1 3 289.357 0.427 10 0 CCAEHM O=S(=O)([N-]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1F ZINC000375663417 389697773 /nfs/dbraw/zinc/69/77/73/389697773.db2.gz IXRAWOLTZHFDRT-OWUUHHOZSA-N -1 3 271.313 0.996 10 0 CCAEHM CO[C@@H]1CCCN([C@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC000643872898 390589801 /nfs/dbraw/zinc/58/98/01/390589801.db2.gz MVUUJEHXFIEPKC-NEPJUHHUSA-N -1 3 284.356 0.563 10 0 CCAEHM Cc1cc(C(=O)N2CCO[C@@H](CO)C2)ccc1[O-] ZINC000227041255 130834687 /nfs/dbraw/zinc/83/46/87/130834687.db2.gz KVKQPYZFZHWDCQ-LLVKDONJSA-N -1 3 251.282 0.534 10 0 CCAEHM CCOC([O-])=NC(=O)CSc1nc(C)cc(N)n1 ZINC000007048687 170264618 /nfs/dbraw/zinc/26/46/18/170264618.db2.gz WLNRVNXIBZYZSS-UHFFFAOYSA-N -1 3 270.314 0.732 10 0 CCAEHM CCOC(=O)[N-]C(=O)CSc1nc(C)cc(N)n1 ZINC000007048687 170264620 /nfs/dbraw/zinc/26/46/20/170264620.db2.gz WLNRVNXIBZYZSS-UHFFFAOYSA-N -1 3 270.314 0.732 10 0 CCAEHM CCC(C)(C)NC(=O)C(C)S(=O)(=O)CC(=O)[O-] ZINC000020421010 171186406 /nfs/dbraw/zinc/18/64/06/171186406.db2.gz VMWKBYCHBMUGHE-SSDOTTSWSA-N -1 3 265.331 0.179 10 0 CCAEHM CC(C(=O)NCc1ccco1)S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000020421398 171187266 /nfs/dbraw/zinc/18/72/66/171187266.db2.gz OBIQNFSEXNYYPH-JGVFFNPUSA-N -1 3 289.309 0.172 10 0 CCAEHM Cc1cc(C)cc(OCC(=O)Nc2c[nH]c(=O)[n-]c2=O)c1 ZINC000021026917 171291260 /nfs/dbraw/zinc/29/12/60/171291260.db2.gz LWKIEJFPDNWZBD-UHFFFAOYSA-N -1 3 289.291 0.698 10 0 CCAEHM CCC[C@H](C)NC(=O)[C@@H](C)SC[C@H](N)C(=O)[O-] ZINC000035185144 172038718 /nfs/dbraw/zinc/03/87/18/172038718.db2.gz ILKKQPAEVWFVIN-YIZRAAEISA-N -1 3 262.375 0.825 10 0 CCAEHM C[C@H](NCC(=O)Nc1cc(F)ccc1F)C(=O)[O-] ZINC000035388898 172171280 /nfs/dbraw/zinc/17/12/80/172171280.db2.gz DEHLWYLGLHZTGR-LURJTMIESA-N -1 3 258.224 0.966 10 0 CCAEHM COCCCNC(=O)[C@H](C)N[C@H](C(=O)[O-])C(C)C ZINC000035391003 172174512 /nfs/dbraw/zinc/17/45/12/172174512.db2.gz SWWLMEFCAVUGKN-UWVGGRQHSA-N -1 3 260.334 0.226 10 0 CCAEHM CC(C)[C@H](NCc1cc(=O)n2ncsc2n1)C(=O)[O-] ZINC000035406659 172178054 /nfs/dbraw/zinc/17/80/54/172178054.db2.gz DOKLXZAVHBFYCN-VIFPVBQESA-N -1 3 282.325 0.350 10 0 CCAEHM CCN(CCC(=O)[O-])[C@@H]1CC(=O)N(C2CC2)C1=O ZINC000038024223 174007036 /nfs/dbraw/zinc/00/70/36/174007036.db2.gz AIKXNFFMDNRIOX-SECBINFHSA-N -1 3 254.286 0.073 10 0 CCAEHM CCN(CCCS(=O)(=O)C(C)C)[C@H](C)C(=O)[O-] ZINC000662214552 414697582 /nfs/dbraw/zinc/69/75/82/414697582.db2.gz GASHNBCNXRMJRZ-SNVBAGLBSA-N -1 3 265.375 0.995 10 0 CCAEHM COc1cc(OC)c([C@H](O)[C@@H](N)C(=O)[O-])cc1OC ZINC000076409734 177020647 /nfs/dbraw/zinc/02/06/47/177020647.db2.gz VNZKXVRRKPMJKV-MNOVXSKESA-N -1 3 271.269 0.158 10 0 CCAEHM Cc1n[nH]nc1-c1[n-]nnc1C(=O)OC(C)(C)C ZINC000725266344 545886466 /nfs/dbraw/zinc/88/64/66/545886466.db2.gz LGZOTHQIILOBND-UHFFFAOYSA-N -1 3 250.262 0.854 10 0 CCAEHM Cc1n[nH]nc1-c1nn[n-]c1C(=O)OC(C)(C)C ZINC000725266344 545886474 /nfs/dbraw/zinc/88/64/74/545886474.db2.gz LGZOTHQIILOBND-UHFFFAOYSA-N -1 3 250.262 0.854 10 0 CCAEHM CC(C)[C@H](CNC(=O)N1CCN2CCC[C@@H]2C1)C(=O)[O-] ZINC000094463699 544544656 /nfs/dbraw/zinc/54/46/56/544544656.db2.gz HJEHVAUWXWZIGN-NEPJUHHUSA-N -1 3 283.372 0.833 10 0 CCAEHM CCN(C(=O)NC[C@@H](C)N(C)C)[C@H](C)CC(=O)[O-] ZINC000061214609 519964979 /nfs/dbraw/zinc/96/49/79/519964979.db2.gz NHYGIFJZLPAEOV-NXEZZACHSA-N -1 3 259.350 0.831 10 0 CCAEHM CCN(CC(=O)NC(=O)NC(C)C)C[C@@H](C)C(=O)[O-] ZINC000061218287 520319901 /nfs/dbraw/zinc/31/99/01/520319901.db2.gz FHULALSSMSSQAE-SECBINFHSA-N -1 3 273.333 0.263 10 0 CCAEHM 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294.351 0.878 10 0 endogenous,in-vitro CCAEHM CCN1CCC[C@@H](NC(=O)N2CCC[C@H]2C(=O)[O-])C1 ZINC000049227963 631923061 /nfs/dbraw/zinc/92/30/61/631923061.db2.gz LESBIGZNYTVJKJ-MNOVXSKESA-N -1 3 269.345 0.729 10 0 CCAEHM O=C([O-])[C@@H]1CCCN([C@@H]2CCN(C3CC3)C2=O)C1 ZINC000694774776 954788053 /nfs/dbraw/zinc/78/80/53/954788053.db2.gz XOKPWDWHPSISCM-MWLCHTKSSA-N -1 3 252.314 0.546 10 0 CCAEHM COC[C@H]1CCN(C(=O)N(CCN(C)C)CC(=O)[O-])C1 ZINC000710114522 955017352 /nfs/dbraw/zinc/01/73/52/955017352.db2.gz GPIOWHGRRFANFA-NSHDSACASA-N -1 3 287.360 0.023 10 0 CCAEHM CC1(C)CC[C@@H](CNCCS(=O)(=O)CC(=O)[O-])OC1 ZINC000711339599 955036935 /nfs/dbraw/zinc/03/69/35/955036935.db2.gz MXWOBSOYOZJLIQ-JTQLQIEISA-N -1 3 293.385 0.281 10 0 CCAEHM COC[C@]1(C(=O)[O-])CN(CC[C@@H]2CCOC2)CCO1 ZINC000711526903 955044298 /nfs/dbraw/zinc/04/42/98/955044298.db2.gz GXAWUELOQFKVPT-YPMHNXCESA-N -1 3 273.329 0.215 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)Nc2cncc(C(=O)[O-])c2)CCN1C ZINC000719485181 955168261 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0.635 10 0 CCAEHM COCC[C@@H](N)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000694957627 976756657 /nfs/dbraw/zinc/75/66/57/976756657.db2.gz DJQSCXGOILLYGD-GFCCVEGCSA-N -1 3 280.324 0.707 10 0 CCAEHM C[C@@H]1[C@@H](C(=O)[O-])CCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000696799727 976825583 /nfs/dbraw/zinc/82/55/83/976825583.db2.gz XGXZAHZMZQPAID-VWYCJHECSA-N -1 3 275.370 0.606 10 0 CCAEHM NC(=O)C[C@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000700724125 976966836 /nfs/dbraw/zinc/96/68/36/976966836.db2.gz JVFCOKWOSXTZSW-MRVPVSSYSA-N -1 3 252.270 0.675 10 0 CCAEHM NC(=O)C[C@@H]1CCN(Cc2cc(C(=O)[O-])co2)C1 ZINC000700724127 976967304 /nfs/dbraw/zinc/96/73/04/976967304.db2.gz JVFCOKWOSXTZSW-QMMMGPOBSA-N -1 3 252.270 0.675 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCCC2(CC2)CC1 ZINC000702493990 977086691 /nfs/dbraw/zinc/08/66/91/977086691.db2.gz JLILJZRMHWYSMJ-SNVBAGLBSA-N -1 3 254.330 0.971 10 0 CCAEHM C[C@@H](CN(C)[C@H]1C[C@@H](C(=O)[O-])C1)CS(C)(=O)=O ZINC000705531548 977280766 /nfs/dbraw/zinc/28/07/66/977280766.db2.gz DAGFRYLSBXXSPR-LPEHRKFASA-N -1 3 263.359 0.462 10 0 CCAEHM C[C@@H]1[C@H](C(=O)[O-])CCN1CCCCS(C)(=O)=O ZINC000705582788 977284519 /nfs/dbraw/zinc/28/45/19/977284519.db2.gz DGSJEHWBHZYVLL-NXEZZACHSA-N -1 3 263.359 0.606 10 0 CCAEHM Cc1oc(C(=O)[O-])cc1CN1CCC[C@@H](CO)[C@H]1CO ZINC000710150590 977487336 /nfs/dbraw/zinc/48/73/36/977487336.db2.gz WTJVWPDPERCUAR-CMPLNLGQSA-N -1 3 283.324 0.851 10 0 CCAEHM CC(C)CNC(=O)CNC[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715300322 977733189 /nfs/dbraw/zinc/73/31/89/977733189.db2.gz CJTDXCDVVIINMQ-IONNQARKSA-N -1 3 264.272 0.314 10 0 CCAEHM COC[C@@](C)(CO)NCc1cc(C(=O)[O-])c(C)n1C ZINC000716940068 977865809 /nfs/dbraw/zinc/86/58/09/977865809.db2.gz CGGGSDHQVCTZTG-CYBMUJFWSA-N -1 3 270.329 0.519 10 0 CCAEHM Cn1ncc(CN)c1C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000719296892 977998401 /nfs/dbraw/zinc/99/84/01/977998401.db2.gz IIWMBVGFIJIEKJ-VIFPVBQESA-N -1 3 280.328 0.110 10 0 CCAEHM C[C@@H]1[C@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])CCN1C ZINC000719461733 978003666 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137002035 /nfs/dbraw/zinc/00/20/35/137002035.db2.gz KTJCWZMDJXUUPN-GXFFZTMASA-N -1 3 284.381 0.963 10 0 CCAEHM C[C@@H]1CCN(C(=O)N2CCCN(CC(=O)[O-])CC2)C1 ZINC000061145883 348651472 /nfs/dbraw/zinc/65/14/72/348651472.db2.gz PHPXIEBVBLMOBS-LLVKDONJSA-N -1 3 269.345 0.541 10 0 CCAEHM CN(C[C@H]1CCCO1)C(=O)c1ccc2c(c1)C(=O)[N-]C2=O ZINC000104885734 186029668 /nfs/dbraw/zinc/02/96/68/186029668.db2.gz QAQJUESTRGGXLR-SNVBAGLBSA-N -1 3 288.303 0.821 10 0 CCAEHM N[C@H](C(=O)[O-])[C@H](O)c1ccc(Br)cn1 ZINC000130169373 350231461 /nfs/dbraw/zinc/23/14/61/350231461.db2.gz PSEWXRIATICNDL-NKWVEPMBSA-N -1 3 261.075 0.289 10 0 CCAEHM O=S(=O)([N-][C@@H]1CCCCC[C@@H]1O)c1c[nH]cn1 ZINC000135880112 350409264 /nfs/dbraw/zinc/40/92/64/350409264.db2.gz MRGDJWJNVKDIPO-BDAKNGLRSA-N -1 3 259.331 0.382 10 0 CCAEHM Cc1nc(CCN(C)C)[n-]c(=O)c1Br ZINC000158691330 350661113 /nfs/dbraw/zinc/66/11/13/350661113.db2.gz IOAKCNDZRDTQQQ-UHFFFAOYSA-N -1 3 260.135 0.945 10 0 CCAEHM C[C@H]1C[C@H]1[N-]S(=O)(=O)c1c(Br)nnn1C ZINC000235587530 352184941 /nfs/dbraw/zinc/18/49/41/352184941.db2.gz VUOLESLQNVGERZ-CRCLSJGQSA-N -1 3 295.162 0.264 10 0 CCAEHM Cn1nnc(Br)c1S(=O)(=O)[N-]C1CCC1 ZINC000236087967 352191260 /nfs/dbraw/zinc/19/12/60/352191260.db2.gz DHILRZPSUULYSN-UHFFFAOYSA-N -1 3 295.162 0.408 10 0 CCAEHM O=C(CNC(=O)c1cccc([O-])c1)NC[C@@H]1CCC[C@@H]1O ZINC000275168521 353191579 /nfs/dbraw/zinc/19/15/79/353191579.db2.gz SADHNESXQFDTNK-AAEUAGOBSA-N -1 3 292.335 0.399 10 0 CCAEHM Cc1cccc(C(=O)NC[C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000619007086 366152083 /nfs/dbraw/zinc/15/20/83/366152083.db2.gz IUDGNVIXLWYQAQ-JTQLQIEISA-N -1 3 262.309 0.909 10 0 CCAEHM CO[C@@H]1COC[C@@H]1[N-]S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000333900485 354812777 /nfs/dbraw/zinc/81/27/77/354812777.db2.gz ISHUZNHIGATYDN-YBXAARCKSA-N -1 3 275.370 0.508 10 0 CCAEHM CCC1CCC(NC(=O)c2[nH]c(=O)[n-]c(=O)c2N)CC1 ZINC000173870601 188872285 /nfs/dbraw/zinc/87/22/85/188872285.db2.gz ODVVPYAKOBJPHT-UHFFFAOYSA-N -1 3 280.328 0.344 10 0 CCAEHM CCN=c1[n-]c(C(=O)N2C[C@H](OC)C[C@H]2CO)cs1 ZINC000345486621 355836278 /nfs/dbraw/zinc/83/62/78/355836278.db2.gz JPHNOYRNAUCSJG-DTWKUNHWSA-N -1 3 285.369 0.219 10 0 CCAEHM O=C(C[C@@H]1NC(=O)[N-]C1=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000328800617 202064537 /nfs/dbraw/zinc/06/45/37/202064537.db2.gz INVBYGQHYNEOTE-LPEHRKFASA-N -1 3 281.312 0.799 10 0 CCAEHM Cc1cc(CS(=O)(=O)[N-][C@H]2CCO[C@H]2C)on1 ZINC000328935508 202120482 /nfs/dbraw/zinc/12/04/82/202120482.db2.gz QKXOWMLGVIOFCV-WPRPVWTQSA-N -1 3 260.315 0.580 10 0 CCAEHM CN(C)c1nc(C(=O)N[C@@H]2C[C@@H](O)C2(C)C)cc(=O)[n-]1 ZINC000407989791 357854190 /nfs/dbraw/zinc/85/41/90/357854190.db2.gz KBDCWYXDSJGIKO-RKDXNWHRSA-N -1 3 280.328 0.137 10 0 CCAEHM C[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCCO1 ZINC000407992783 357855886 /nfs/dbraw/zinc/85/58/86/357855886.db2.gz UNFDJMXCTJARKN-SECBINFHSA-N -1 3 280.328 0.499 10 0 CCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@H]2C)nc1C ZINC000408059005 357894592 /nfs/dbraw/zinc/89/45/92/357894592.db2.gz FNBSOMAEYSGSBM-WCBMZHEXSA-N -1 3 273.358 0.667 10 0 CCAEHM C[C@@H]1CN(C(=O)N=c2cc(OC(F)F)n(C)[n-]2)CCO1 ZINC000408142899 357937491 /nfs/dbraw/zinc/93/74/91/357937491.db2.gz RYLSNJWLGFWENS-SSDOTTSWSA-N -1 3 290.270 0.696 10 0 CCAEHM C[C@H]1COCCN1C(=O)N=c1cc(OC(F)F)n(C)[n-]1 ZINC000408381189 358064122 /nfs/dbraw/zinc/06/41/22/358064122.db2.gz HZZTWNNTKIVIAQ-ZETCQYMHSA-N -1 3 290.270 0.696 10 0 CCAEHM Cc1ccc(C(=O)N2CCc3c(ncn(C)c3=O)C2)c([O-])c1 ZINC000408416440 358082177 /nfs/dbraw/zinc/08/21/77/358082177.db2.gz SZKSIUMVXNSSGJ-UHFFFAOYSA-N -1 3 299.330 0.993 10 0 CCAEHM C[C@@H](CNS(=O)(=O)CC(=O)[O-])CN1CCCCC1 ZINC000038041970 295970273 /nfs/dbraw/zinc/97/02/73/295970273.db2.gz VMDHIKLGKICWMW-JTQLQIEISA-N -1 3 278.374 0.112 10 0 CCAEHM O=S(=O)([N-]N1CCOCC1)c1ccccc1Cl ZINC000584624754 359183285 /nfs/dbraw/zinc/18/32/85/359183285.db2.gz PDLUPLILQPQMOS-UHFFFAOYSA-N -1 3 276.745 0.866 10 0 CCAEHM COC(=O)/C=C1/S[C@](OC)(C(F)(F)F)[N-]C1=O ZINC000584660388 359187713 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ZINC000167949009 544727966 /nfs/dbraw/zinc/72/79/66/544727966.db2.gz MSTZWFVTIGBWLE-CYBMUJFWSA-N -1 3 280.328 0.122 10 0 CCAEHM C[C@@H]1C[C@@H](CNC(=O)c2cn(C)c(=O)[n-]c2=O)C[C@H](C)O1 ZINC000281384396 288510830 /nfs/dbraw/zinc/51/08/30/288510830.db2.gz UYKNXOZKKOBEAS-ILWJIGKKSA-N -1 3 295.339 0.419 10 0 CCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1C[C@H](F)C[C@@H]1CO ZINC000328647037 545018201 /nfs/dbraw/zinc/01/82/01/545018201.db2.gz HENKEROICDAFCP-HTQZYQBOSA-N -1 3 282.250 0.642 10 0 CCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1C[C@H](F)C[C@@H]1CO ZINC000328647037 545018204 /nfs/dbraw/zinc/01/82/04/545018204.db2.gz HENKEROICDAFCP-HTQZYQBOSA-N -1 3 282.250 0.642 10 0 CCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1C[C@H](F)C[C@@H]1CO ZINC000328647037 545018206 /nfs/dbraw/zinc/01/82/06/545018206.db2.gz HENKEROICDAFCP-HTQZYQBOSA-N -1 3 282.250 0.642 10 0 CCAEHM CCCn1c(=O)[n-]nc1SC[C@@](C)([NH2+]CC)C(=O)[O-] ZINC000061608048 521614129 /nfs/dbraw/zinc/61/41/29/521614129.db2.gz BLAILTGGLGOGBH-LLVKDONJSA-N -1 3 288.373 0.526 10 0 CCAEHM CCN(CC(=O)NC(=O)NC(C)C)C[C@H](C)C(=O)[O-] ZINC000061218288 520320945 /nfs/dbraw/zinc/32/09/45/520320945.db2.gz FHULALSSMSSQAE-VIFPVBQESA-N -1 3 273.333 0.263 10 0 CCAEHM CCN(CC(=O)[O-])C(=O)N[C@@H](CN(C)C)C(C)C ZINC000049230748 520375890 /nfs/dbraw/zinc/37/58/90/520375890.db2.gz HHRJGGBHRPCEBR-JTQLQIEISA-N -1 3 259.350 0.689 10 0 CCAEHM CCOC(=O)C[N-]S(=O)(=O)CCCC(F)(F)F ZINC000215028720 520790041 /nfs/dbraw/zinc/79/00/41/520790041.db2.gz LYAPHJJDZFCWJD-UHFFFAOYSA-N -1 3 277.264 0.811 10 0 CCAEHM C[C@@H](C(=O)[O-])N1CCN(Cc2ncccn2)CC1 ZINC000054461406 524298478 /nfs/dbraw/zinc/29/84/78/524298478.db2.gz CARHQDOQQKQIMX-JTQLQIEISA-N -1 3 250.302 0.067 10 0 CCAEHM C[C@@H](N[C@H]1CCS(=O)(=O)c2ccccc21)C(=O)[O-] ZINC000049357034 525688158 /nfs/dbraw/zinc/68/81/58/525688158.db2.gz GLDQLXQQIYAJQC-SCZZXKLOSA-N -1 3 269.322 0.968 10 0 CCAEHM C[C@H](CC(=O)[O-])NC(=O)NCCN1CCCCC1 ZINC000049575733 526251780 /nfs/dbraw/zinc/25/17/80/526251780.db2.gz RAXZTUQCSNTCPV-SNVBAGLBSA-N -1 3 257.334 0.635 10 0 CCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCC[C@@H](O)C2)nc1C ZINC000678066879 545383431 /nfs/dbraw/zinc/38/34/31/545383431.db2.gz VQNJKYYJWPZTMX-GHMZBOCLSA-N -1 3 287.385 0.793 10 0 CCAEHM Cc1cc(=O)c2c([O-])c3c(cc2o1)OC[C@@](O)(CO)C=C3 ZINC000000897964 560179150 /nfs/dbraw/zinc/17/91/50/560179150.db2.gz IVVDHMXDSFGHMC-HNNXBMFYSA-N -1 3 290.271 0.936 10 0 in-vitro CCAEHM Cc1cc(=O)c2c([O-])c3c(cc2o1)OC[C@](O)(CO)C=C3 ZINC000000897961 560179168 /nfs/dbraw/zinc/17/91/68/560179168.db2.gz IVVDHMXDSFGHMC-OAHLLOKOSA-N -1 3 290.271 0.936 10 0 biogenic,in-vitro CCAEHM COC(=O)[C@@H]1C[C@H]1C(=O)[N-]OCc1cccnc1 ZINC000152344047 616483050 /nfs/dbraw/zinc/48/30/50/616483050.db2.gz ZIZBLVURHYIFJG-NXEZZACHSA-N -1 3 250.254 0.439 10 0 CCAEHM C[C@@H]1C[C@@H](C(=O)[O-])CN(CC2(CS(C)(=O)=O)CC2)C1 ZINC000696770861 954819035 /nfs/dbraw/zinc/81/90/35/954819035.db2.gz XCRIPOYQAKFSHH-GHMZBOCLSA-N -1 3 289.397 0.854 10 0 CCAEHM C[C@@H](CNCCS(=O)(=O)CC(=O)[O-])c1ccccn1 ZINC000709609616 955011228 /nfs/dbraw/zinc/01/12/28/955011228.db2.gz GGWBMMRHRHZHFL-JTQLQIEISA-N -1 3 286.353 0.274 10 0 CCAEHM COC[C@]1(C(=O)[O-])CN(CC[C@@H]2CCCO2)CCO1 ZINC000711511393 955043158 /nfs/dbraw/zinc/04/31/58/955043158.db2.gz WKCSRKMSAOUKAX-AAEUAGOBSA-N -1 3 273.329 0.358 10 0 CCAEHM CCN1C[C@H](NC(=O)[C@@H]2CC(C(=O)[O-])=NO2)C(C)(C)C1 ZINC000722252908 955193718 /nfs/dbraw/zinc/19/37/18/955193718.db2.gz MRUQODLQYWIFRY-UWVGGRQHSA-N -1 3 283.328 0.062 10 0 CCAEHM Cn1ncc(C(=O)[O-])c1CNCCOC1CCC1 ZINC000690723794 968904529 /nfs/dbraw/zinc/90/45/29/968904529.db2.gz DBDJWDIGTCLQOC-UHFFFAOYSA-N -1 3 253.302 0.777 10 0 CCAEHM COCC[C@H](C)N1CCO[C@](COC)(C(=O)[O-])C1 ZINC000711580433 969059051 /nfs/dbraw/zinc/05/90/51/969059051.db2.gz MBYFRGVFDPIRIE-CMPLNLGQSA-N -1 3 261.318 0.213 10 0 CCAEHM Cn1ncc(C(=O)[O-])c1CN1CC[C@@H](C(C)(C)O)C1 ZINC000721839798 969115679 /nfs/dbraw/zinc/11/56/79/969115679.db2.gz ZJXUGQHYXFKBBY-SECBINFHSA-N -1 3 267.329 0.711 10 0 CCAEHM CN1CCNC[C@H]1C(=O)Nc1ccc(C(=O)[O-])c(Cl)c1 ZINC000686126262 976098934 /nfs/dbraw/zinc/09/89/34/976098934.db2.gz QPPXBCVUBHYJMG-NSHDSACASA-N -1 3 297.742 0.880 10 0 CCAEHM O=C([O-])[C@@]1(C(F)(F)F)CCN(CCN2CCCC2=O)C1 ZINC000692162555 976404798 /nfs/dbraw/zinc/40/47/98/976404798.db2.gz JFXJCHWSYAZBCM-LLVKDONJSA-N -1 3 294.273 0.948 10 0 CCAEHM CC(C)CNC(=O)NC(=O)CN(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693016545 976567325 /nfs/dbraw/zinc/56/73/25/976567325.db2.gz FYQFVUDHPJGEBE-AOOOYVTPSA-N -1 3 285.344 0.263 10 0 CCAEHM CCN(C(=O)c1cc(C(=O)[O-])on1)[C@@H]1CCN(CC)C1 ZINC000695343814 976794008 /nfs/dbraw/zinc/79/40/08/976794008.db2.gz ZVTNZNHHAXCBMF-SECBINFHSA-N -1 3 281.312 0.929 10 0 CCAEHM O=C([O-])[C@@H]1C[C@H](O)CN(CCO[C@H]2CC2(F)F)C1 ZINC000701805906 977041081 /nfs/dbraw/zinc/04/10/81/977041081.db2.gz VQROXJYNZLQKTC-VGMNWLOBSA-N -1 3 265.256 0.178 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CC[C@H]2CC[C@@H](C1)S2 ZINC000704281669 977227198 /nfs/dbraw/zinc/22/71/98/977227198.db2.gz YASYKZNCLMMRQV-KXUCPTDWSA-N -1 3 272.370 0.675 10 0 CCAEHM Cc1oc(C(=O)[O-])cc1CN1C[C@H](CO)[C@H](CO)C1 ZINC000704513213 977238299 /nfs/dbraw/zinc/23/82/99/977238299.db2.gz VFUHADHZSFERNQ-PHIMTYICSA-N -1 3 269.297 0.319 10 0 CCAEHM CC1(C)CO[C@@H](CN2CCN(CC(=O)[O-])CC2)C1 ZINC000708355887 977423975 /nfs/dbraw/zinc/42/39/75/977423975.db2.gz WNLHPHRGDBDYPB-LLVKDONJSA-N -1 3 256.346 0.504 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC000716309842 977830489 /nfs/dbraw/zinc/83/04/89/977830489.db2.gz DMBXVAGQOMHQIN-WDEREUQCSA-N -1 3 284.356 0.644 10 0 CCAEHM CC(C)C[C@@H](N)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC000719104325 977994509 /nfs/dbraw/zinc/99/45/09/977994509.db2.gz YAUMVRRKOWUGMK-ZJUUUORDSA-N -1 3 285.369 0.628 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCN1C ZINC000719403789 978001909 /nfs/dbraw/zinc/00/19/09/978001909.db2.gz GKRLLYGQXCBLJU-IMSYWVGJSA-N -1 3 255.318 0.241 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)N[C@H]2CC=C(C(=O)[O-])C2)CCN1C ZINC000719403893 978002179 /nfs/dbraw/zinc/00/21/79/978002179.db2.gz HBEHRNIZDYFXDE-MIMYLULJSA-N -1 3 267.329 0.552 10 0 CCAEHM C[C@@H](CN1CCOCC1)CN1CCOC[C@@H]1CC(=O)[O-] ZINC000720013483 978022028 /nfs/dbraw/zinc/02/20/28/978022028.db2.gz JZYDABFVDDLZKW-STQMWFEESA-N -1 3 286.372 0.130 10 0 CCAEHM C[C@@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@H]1CC(=O)[O-] ZINC000722629963 978154327 /nfs/dbraw/zinc/15/43/27/978154327.db2.gz YYNDDZJAAJETAA-GHMZBOCLSA-N -1 3 289.397 0.854 10 0 CCAEHM O=C([O-])c1coc(CNC[C@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724602952 978233096 /nfs/dbraw/zinc/23/30/96/978233096.db2.gz PQYJTUBUFPZHRB-FXAINCCUSA-N -1 3 267.281 0.871 10 0 CCAEHM CC(=O)Nc1cccc(NC(=O)[C@H](N)CC(=O)[O-])c1 ZINC000082579581 178119395 /nfs/dbraw/zinc/11/93/95/178119395.db2.gz HRIPXQXPZCKZDN-SNVBAGLBSA-N -1 3 265.269 0.386 10 0 CCAEHM N[C@H](CC(=O)[O-])C(=O)NCc1ccc(Cl)s1 ZINC000082962008 178331209 /nfs/dbraw/zinc/33/12/09/178331209.db2.gz HKVJSVGJGSCEAG-ZCFIWIBFSA-N -1 3 262.718 0.820 10 0 CCAEHM O=S(=O)(N[C@@H]1CCCNC1)c1nc2ccccc2[n-]1 ZINC000095073300 349589056 /nfs/dbraw/zinc/58/90/56/349589056.db2.gz MYENNPWINNHKTO-SECBINFHSA-N -1 3 280.353 0.593 10 0 CCAEHM COC[C@H](C)C(=O)NCCNC(=O)c1ccc([O-])cc1 ZINC000103520503 349702244 /nfs/dbraw/zinc/70/22/44/349702244.db2.gz GLBDRGLDOKKXKB-JTQLQIEISA-N -1 3 280.324 0.521 10 0 CCAEHM COC(=O)c1ccc(NC(=O)[C@@H](N)CC(=O)[O-])cc1 ZINC000085817477 179179787 /nfs/dbraw/zinc/17/97/87/179179787.db2.gz PLWOWIOLPULHCL-VIFPVBQESA-N -1 3 266.253 0.214 10 0 CCAEHM COC(=O)c1cccc(NC(=O)[C@@H](N)CC(=O)[O-])c1 ZINC000085817572 179180557 /nfs/dbraw/zinc/18/05/57/179180557.db2.gz FBRPMWKGBZUNMD-VIFPVBQESA-N -1 3 266.253 0.214 10 0 CCAEHM CC(C)[C@H](NC(=O)[C@@H](O)[C@H](N)Cc1ccccc1)C(=O)[O-] ZINC000013353824 348026560 /nfs/dbraw/zinc/02/65/60/348026560.db2.gz IOLCPXVWFDHENH-AGIUHOORSA-N -1 3 294.351 0.143 10 0 CCAEHM Cc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000083856655 349311473 /nfs/dbraw/zinc/31/14/73/349311473.db2.gz OXGAMGNQWAKIBW-CQSZACIVSA-N -1 3 273.292 0.419 10 0 CCAEHM CC(C)n1cnc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C)c1 ZINC000121482561 350040596 /nfs/dbraw/zinc/04/05/96/350040596.db2.gz XZIZKWMUMRYYLT-NXEZZACHSA-N -1 3 273.358 0.920 10 0 CCAEHM CC(=O)N[C@@H]1CCCN(C(=O)c2c([O-])cccc2O)C1 ZINC000125696074 350127497 /nfs/dbraw/zinc/12/74/97/350127497.db2.gz DBZLBZBNPYFGCC-SNVBAGLBSA-N -1 3 278.308 0.839 10 0 CCAEHM COCCN1CCN(C(=O)c2cncc([O-])c2)C[C@@H]1C ZINC000172295753 350972827 /nfs/dbraw/zinc/97/28/27/350972827.db2.gz YYSGUWINRGATFB-NSHDSACASA-N -1 3 279.340 0.580 10 0 CCAEHM O=S(=O)([N-][C@H]1CCc2ncnn2C1)c1ccco1 ZINC000188687382 351616909 /nfs/dbraw/zinc/61/69/09/351616909.db2.gz UTOKMTCIJRPVCJ-QMMMGPOBSA-N -1 3 268.298 0.164 10 0 CCAEHM Cn1nnc(Br)c1S(=O)(=O)[N-]C1CC1 ZINC000236087859 352191242 /nfs/dbraw/zinc/19/12/42/352191242.db2.gz QURHOPUBPRKWFY-UHFFFAOYSA-N -1 3 281.135 0.018 10 0 CCAEHM NC(=O)[C@@]1(O)CCCN(C(=O)c2cc([O-])ccc2Cl)C1 ZINC000290877367 353755697 /nfs/dbraw/zinc/75/56/97/353755697.db2.gz KPBNUIMLWTVTEF-CYBMUJFWSA-N -1 3 298.726 0.498 10 0 CCAEHM O=C([O-])CN1CCCN(C(=O)N2CCSCC2)CC1 ZINC000061145581 304067594 /nfs/dbraw/zinc/06/75/94/304067594.db2.gz UMQBGNQJPLDBJR-UHFFFAOYSA-N -1 3 287.385 0.248 10 0 CCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCO[C@@H]2C)c1 ZINC000408027779 357875144 /nfs/dbraw/zinc/87/51/44/357875144.db2.gz MOTLNOZBHKIICW-BDAKNGLRSA-N -1 3 259.331 0.359 10 0 CCAEHM Cc1cnc(C(=O)N2CCO[C@H]3CCN(C)C[C@H]32)c([O-])c1 ZINC000408065547 357898461 /nfs/dbraw/zinc/89/84/61/357898461.db2.gz ZMQMPOGVYKPQSW-YPMHNXCESA-N -1 3 291.351 0.641 10 0 CCAEHM CCc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N[C@@H](C)C2)c1C ZINC000408207523 357971468 /nfs/dbraw/zinc/97/14/68/357971468.db2.gz HYJBJCXWVZWACW-IONNQARKSA-N -1 3 264.329 0.556 10 0 CCAEHM CC(C)[C@@H](C)[N-]S(=O)(=O)c1cnn2c1OCCC2 ZINC000408228244 357981570 /nfs/dbraw/zinc/98/15/70/357981570.db2.gz WNBWLEGRBVWGIG-SECBINFHSA-N -1 3 273.358 0.988 10 0 CCAEHM Cc1nc(C)c(S(=O)(=O)[N-][C@@H]2CCCNC2=O)s1 ZINC000408394534 358070694 /nfs/dbraw/zinc/07/06/94/358070694.db2.gz JRHLLFNKRLFZIO-MRVPVSSYSA-N -1 3 289.382 0.317 10 0 CCAEHM Cc1cccc([O-])c1C(=O)N1CCC[C@@](O)(C(N)=O)C1 ZINC000627106624 368800294 /nfs/dbraw/zinc/80/02/94/368800294.db2.gz SLISRCYQPOHORV-AWEZNQCLSA-N -1 3 278.308 0.153 10 0 CCAEHM NC1(CN=c2[n-]nc(C(F)(F)F)s2)CCOCC1 ZINC000630524682 370144161 /nfs/dbraw/zinc/14/41/61/370144161.db2.gz UHEUNSTWRIBQNT-UHFFFAOYSA-N -1 3 282.291 0.899 10 0 CCAEHM CN(C[C@@H]1CN(C)CCO1)C(=O)c1cc(F)ccc1[O-] ZINC000633925059 371809003 /nfs/dbraw/zinc/80/90/03/371809003.db2.gz UPXNFEQMWCZYBJ-NSHDSACASA-N -1 3 282.315 0.934 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@H](c3nnn[n-]3)C[C@H]2C1 ZINC000012506809 388786196 /nfs/dbraw/zinc/78/61/96/388786196.db2.gz KPJGJAMQQDPGGT-ZJUUUORDSA-N -1 3 294.359 0.608 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@H](c3nn[n-]n3)C[C@H]2C1 ZINC000012506809 388786199 /nfs/dbraw/zinc/78/61/99/388786199.db2.gz KPJGJAMQQDPGGT-ZJUUUORDSA-N -1 3 294.359 0.608 10 0 CCAEHM COc1ccc(C(=O)N[C@H]2CCC(=O)N[C@H]2C)c([O-])c1 ZINC000281675070 195331859 /nfs/dbraw/zinc/33/18/59/195331859.db2.gz CUAKROSOXYLBFY-KWQFWETISA-N -1 3 278.308 0.798 10 0 CCAEHM COC[C@]1(C(=O)[O-])CCCN1C[C@@H](C)CS(C)(=O)=O ZINC000643878341 390592018 /nfs/dbraw/zinc/59/20/18/390592018.db2.gz QHVMRWRRQCHTFV-PWSUYJOCSA-N -1 3 293.385 0.233 10 0 CCAEHM CC1CC(C(=O)N2CCC[C@@]3(C2)NC(=O)[N-]C3=O)C1 ZINC000684080403 545610931 /nfs/dbraw/zinc/61/09/31/545610931.db2.gz YDUQRKMNFFEPAR-RPTIHFLNSA-N -1 3 265.313 0.233 10 0 CCAEHM CN1C[C@H](c2ccnc(N3CCOCC3)n2)[C@H](C(=O)[O-])C1 ZINC000616576189 397598630 /nfs/dbraw/zinc/59/86/30/397598630.db2.gz UMOCZYVLVPLYHA-WDEREUQCSA-N -1 3 292.339 0.043 10 0 CCAEHM Cc1ccc([O-])c(C(=O)N2CCOC[C@H]2C(N)=O)c1 ZINC000126760147 292162707 /nfs/dbraw/zinc/16/27/07/292162707.db2.gz SDTWURMZQIMINV-JTQLQIEISA-N -1 3 264.281 0.027 10 0 CCAEHM CCC[C@H](C)NC(=O)C(C)S(=O)(=O)CC(=O)[O-] ZINC000020421013 171187221 /nfs/dbraw/zinc/18/72/21/171187221.db2.gz FUCVTCACPYYUIU-JGVFFNPUSA-N -1 3 265.331 0.179 10 0 CCAEHM CCC(CC)NC(=O)C(C)S(=O)(=O)CCC(=O)[O-] ZINC000020421470 171187512 /nfs/dbraw/zinc/18/75/12/171187512.db2.gz CEAXCZIRWSOYSD-QMMMGPOBSA-N -1 3 279.358 0.569 10 0 CCAEHM CC(C(=O)NC1CCCC1)S(=O)(=O)CCC(=O)[O-] ZINC000020421546 171187799 /nfs/dbraw/zinc/18/77/99/171187799.db2.gz PDPMEPVSIDENQW-QMMMGPOBSA-N -1 3 277.342 0.323 10 0 CCAEHM CN(C)CCn1nc(C(=O)[O-])c2ccccc2c1=O ZINC000035149861 172012647 /nfs/dbraw/zinc/01/26/47/172012647.db2.gz KKJAYDPLTJNXNJ-UHFFFAOYSA-N -1 3 261.281 0.656 10 0 CCAEHM O=C([O-])CCNCc1cc(=O)n2cc(Cl)ccc2n1 ZINC000035386264 172167937 /nfs/dbraw/zinc/16/79/37/172167937.db2.gz JTGXQIZDBSAQMT-UHFFFAOYSA-N -1 3 281.699 0.912 10 0 CCAEHM Nc1n[nH]cc1S(=O)(=O)[N-]CCC1CCCC1 ZINC000037741102 173662433 /nfs/dbraw/zinc/66/24/33/173662433.db2.gz BCUCKDPKGMHMBM-UHFFFAOYSA-N -1 3 258.347 0.851 10 0 CCAEHM CCN(CCC(=O)[O-])Cc1cc(=O)n2ncsc2n1 ZINC000038024635 174007570 /nfs/dbraw/zinc/00/75/70/174007570.db2.gz VOBCFPZUCFDOIS-UHFFFAOYSA-N -1 3 282.325 0.448 10 0 CCAEHM CCN(CCC(=O)[O-])[C@H](C)C(=O)NCCCOC ZINC000038025099 174009351 /nfs/dbraw/zinc/00/93/51/174009351.db2.gz IPSWGLSSABUQLT-SNVBAGLBSA-N -1 3 260.334 0.324 10 0 CCAEHM CO[C@@H](C)c1nsc(NCc2nc(CN)cc(=O)[n-]2)n1 ZINC000663276853 415034698 /nfs/dbraw/zinc/03/46/98/415034698.db2.gz DCHRUHLGTKNUDJ-LURJTMIESA-N -1 3 296.356 0.812 10 0 CCAEHM CN[C@@H](C)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000054076725 544441969 /nfs/dbraw/zinc/44/19/69/544441969.db2.gz LXVCBJSIZITRPH-JOYOIKCWSA-N -1 3 262.309 0.805 10 0 CCAEHM O=C([C@H]1CCCCS1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000167947808 544728106 /nfs/dbraw/zinc/72/81/06/544728106.db2.gz HWUYPHFHQSPPLI-PELKAZGASA-N -1 3 283.353 0.083 10 0 CCAEHM O=C([C@@H]1CCCCS1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000167947690 544728756 /nfs/dbraw/zinc/72/87/56/544728756.db2.gz HWUYPHFHQSPPLI-UFBFGSQYSA-N -1 3 283.353 0.083 10 0 CCAEHM C[C@H](NCc1cc(=O)n2[n-]ccc2n1)[C@@H]1CCCO1 ZINC000183116747 544765651 /nfs/dbraw/zinc/76/56/51/544765651.db2.gz STOADEFHPOHVIG-ONGXEEELSA-N -1 3 262.313 0.680 10 0 CCAEHM C[C@@H]1C[C@@H](O)CN(C(=O)c2cc(F)cc3[n-]nnc32)C1 ZINC000333048774 545038437 /nfs/dbraw/zinc/03/84/37/545038437.db2.gz AKKSASOIOLIUCC-VXNVDRBHSA-N -1 3 278.287 0.940 10 0 CCAEHM C[C@@H]1C[C@@H](O)CN(C(=O)c2cc(F)cc3nn[n-]c32)C1 ZINC000333048774 545038439 /nfs/dbraw/zinc/03/84/39/545038439.db2.gz AKKSASOIOLIUCC-VXNVDRBHSA-N -1 3 278.287 0.940 10 0 CCAEHM C[C@@H]1C[C@@H](O)CN(C(=O)c2cc(F)cc3n[n-]nc32)C1 ZINC000333048774 545038441 /nfs/dbraw/zinc/03/84/41/545038441.db2.gz AKKSASOIOLIUCC-VXNVDRBHSA-N -1 3 278.287 0.940 10 0 CCAEHM Cc1cnc(C[N-]S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)o1 ZINC000080639799 260181499 /nfs/dbraw/zinc/18/14/99/260181499.db2.gz PMLWCDXBJHWZOK-UWVGGRQHSA-N -1 3 289.357 0.427 10 0 CCAEHM CO[C@H]1C[C@@H](CO)N(C(=O)c2ccc([O-])c(C)c2)C1 ZINC000388679200 327248747 /nfs/dbraw/zinc/24/87/47/327248747.db2.gz DSQDXTYKLLEGNM-RYUDHWBXSA-N -1 3 265.309 0.922 10 0 CCAEHM CC(C)[C@H](CN(C)C)NC(=O)NC(C)(C)C(=O)[O-] ZINC000049230815 519814102 /nfs/dbraw/zinc/81/41/02/519814102.db2.gz BWRBJYQJQJCYCF-VIFPVBQESA-N -1 3 259.350 0.735 10 0 CCAEHM CC(C)C[C@@H](CN(C)C)NC(=O)N(C)CC(=O)[O-] ZINC000049560934 519775104 /nfs/dbraw/zinc/77/51/04/519775104.db2.gz WJRVULWTXCYZAQ-JTQLQIEISA-N -1 3 259.350 0.689 10 0 CCAEHM CCO[C@H](CN(CCCOC)CCOC)C(=O)[O-] ZINC000062754674 520514325 /nfs/dbraw/zinc/51/43/25/520514325.db2.gz PXRSUNYAQZRFRJ-LLVKDONJSA-N -1 3 263.334 0.461 10 0 CCAEHM Cc1ccc(C[N-]S(=O)(=O)c2ccc(=O)[nH]c2)cn1 ZINC000062053983 524588191 /nfs/dbraw/zinc/58/81/91/524588191.db2.gz WEMQEURACDJTRJ-UHFFFAOYSA-N -1 3 279.321 0.557 10 0 CCAEHM O=C([O-])c1cccc(OCCN2CC[C@@H](O)C2)c1 ZINC000061710761 526393049 /nfs/dbraw/zinc/39/30/49/526393049.db2.gz YIQYGHUGXIPNAZ-LLVKDONJSA-N -1 3 251.282 0.830 10 0 CCAEHM Cn1ncc2c1ncc(C(=O)N[C@H]1CCCOCC1)c2[O-] ZINC000182348081 625387358 /nfs/dbraw/zinc/38/73/58/625387358.db2.gz RKLFPLYYCWEUBY-VIFPVBQESA-N -1 3 290.323 0.973 10 0 CCAEHM CCN1CCC[C@H](NC(=O)N[C@H](C(=O)[O-])C2CC2)C1 ZINC000054525167 633156918 /nfs/dbraw/zinc/15/69/18/633156918.db2.gz MJTLEDPOGQXDJV-QWRGUYRKSA-N -1 3 269.345 0.633 10 0 CCAEHM C[C@H](O)CN(CCO)Cc1cc(C(=O)[O-])cs1 ZINC000711464693 977549347 /nfs/dbraw/zinc/54/93/47/977549347.db2.gz IHLQJAZLQLIIJP-QMMMGPOBSA-N -1 3 259.327 0.621 10 0 CCAEHM C[C@@H]1CCN(C[C@@H]2CCCS2(=O)=O)C[C@@H]1C(=O)[O-] ZINC000694439456 954775911 /nfs/dbraw/zinc/77/59/11/954775911.db2.gz RBIDKLFAMNCZFF-VWYCJHECSA-N -1 3 275.370 0.606 10 0 CCAEHM COC[C@@]1(C)CCN([C@@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000694753912 954783838 /nfs/dbraw/zinc/78/38/38/954783838.db2.gz NWJWHCODSKKARZ-MFKMUULPSA-N -1 3 270.329 0.030 10 0 CCAEHM C[C@H](O)C[C@@H]1CCCCN1[C@H]1CCN(CC(=O)[O-])C1=O ZINC000694774444 954788119 /nfs/dbraw/zinc/78/81/19/954788119.db2.gz IANPOHMZLQOKHO-SRVKXCTJSA-N -1 3 284.356 0.297 10 0 CCAEHM C[C@H](O)C[C@@H]1CCCCN1[C@@H]1CCN(CC(=O)[O-])C1=O ZINC000694774443 954788648 /nfs/dbraw/zinc/78/86/48/954788648.db2.gz IANPOHMZLQOKHO-SDDRHHMPSA-N -1 3 284.356 0.297 10 0 CCAEHM CCN(C(=O)COCC(=O)[O-])[C@@H]1CCN(CC)C1 ZINC000695282011 954810031 /nfs/dbraw/zinc/81/00/31/954810031.db2.gz XLFKWUMFZOZFCQ-SNVBAGLBSA-N -1 3 258.318 0.030 10 0 CCAEHM C[C@H](CN1C[C@@H](C(=O)[O-])CC[C@H]1C)CS(C)(=O)=O ZINC000705584913 954937738 /nfs/dbraw/zinc/93/77/38/954937738.db2.gz VGXAFUKNQILURY-MXWKQRLJSA-N -1 3 277.386 0.852 10 0 CCAEHM Cn1ncc(C(=O)[O-])c1CN1CC[C@@]2(CCOC2)C1 ZINC000707332770 954966745 /nfs/dbraw/zinc/96/67/45/954966745.db2.gz OBTPJMQFCAOHIY-CYBMUJFWSA-N -1 3 265.313 0.731 10 0 CCAEHM COC[C@@]1(C(=O)[O-])CN(CC[C@@H]2CCOC2)CCO1 ZINC000711526899 955045006 /nfs/dbraw/zinc/04/50/06/955045006.db2.gz GXAWUELOQFKVPT-DGCLKSJQSA-N -1 3 273.329 0.215 10 0 CCAEHM CO[C@@H](C(=O)[O-])C(=O)N[C@@H](C)CN1CCCCC1 ZINC000713234061 955080837 /nfs/dbraw/zinc/08/08/37/955080837.db2.gz JQGUZSBTYBGNNA-VHSXEESVSA-N -1 3 258.318 0.077 10 0 CCAEHM C[C@@H](C(=O)N(CCN(C)C)CC(=O)[O-])C1CCC1 ZINC000692734958 968919527 /nfs/dbraw/zinc/91/95/27/968919527.db2.gz QASIYCQHCMJRDZ-SNVBAGLBSA-N -1 3 256.346 0.897 10 0 CCAEHM CN(C)CCN(CC(=O)[O-])C(=O)N(C)C1CCCC1 ZINC000695398391 968958990 /nfs/dbraw/zinc/95/89/90/968958990.db2.gz SBPNUGHMZRMQEA-UHFFFAOYSA-N -1 3 271.361 0.929 10 0 CCAEHM COc1ccc2c(c1)CN(C(=O)[C@H](N)CCC(=O)[O-])C2 ZINC000692916602 976550558 /nfs/dbraw/zinc/55/05/58/976550558.db2.gz CEDBAPALZYMGDF-GFCCVEGCSA-N -1 3 278.308 0.730 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCO[C@H](CC(F)(F)F)C1 ZINC000698161483 976880534 /nfs/dbraw/zinc/88/05/34/976880534.db2.gz ZOSFHMDCUXRHDG-HTQZYQBOSA-N -1 3 298.261 0.358 10 0 CCAEHM CO[C@]1(C(=O)[O-])CCN(CCn2c(C)csc2=O)C1 ZINC000700226698 976938311 /nfs/dbraw/zinc/93/83/11/976938311.db2.gz BKCKXZNBAZARKV-GFCCVEGCSA-N -1 3 286.353 0.394 10 0 CCAEHM CO[C@@]1(C(=O)[O-])CCN([C@@H](C)C(=O)N2CCCCC2)C1 ZINC000703741512 977181358 /nfs/dbraw/zinc/18/13/58/977181358.db2.gz YGGOFDSGJKBRKW-FZMZJTMJSA-N -1 3 284.356 0.563 10 0 CCAEHM CCc1nn(C)cc1CN1CC[C@](OC)(C(=O)[O-])C1 ZINC000703757367 977189962 /nfs/dbraw/zinc/18/99/62/977189962.db2.gz FAEVWGCBMMLYTH-CYBMUJFWSA-N -1 3 267.329 0.658 10 0 CCAEHM NC(C(=O)NCCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000705522655 977280343 /nfs/dbraw/zinc/28/03/43/977280343.db2.gz GEBYZQWJEISLEY-SECBINFHSA-N -1 3 290.241 0.933 10 0 CCAEHM O=C([O-])[C@@H]1[C@H](CNCC(=O)NCc2ccco2)C1(F)F ZINC000715334394 977745613 /nfs/dbraw/zinc/74/56/13/977745613.db2.gz MKAGRMAWROWVKZ-WPRPVWTQSA-N -1 3 288.250 0.451 10 0 CCAEHM Cc1nc(CNC[C@H]2CCO[C@H]2C(=O)[O-])[nH]c1C ZINC000716261751 977825202 /nfs/dbraw/zinc/82/52/02/977825202.db2.gz JYSHIJZZMVYSQF-MWLCHTKSSA-N -1 3 253.302 0.606 10 0 CCAEHM COc1cc([C@H]2NC(=O)[C@@H]3COCCN32)cc(Cl)c1[O-] ZINC000093883179 349555791 /nfs/dbraw/zinc/55/57/91/349555791.db2.gz GRGAPEBQHPFCCS-CABZTGNLSA-N -1 3 298.726 0.883 10 0 CCAEHM CC(C)(C)OC(=O)N1CC([C@]2(C)NC(=O)[N-]C2=O)C1 ZINC000096886272 185122142 /nfs/dbraw/zinc/12/21/42/185122142.db2.gz ZFLFXYQJNMLBOM-LBPRGKRZSA-N -1 3 269.301 0.451 10 0 CCAEHM O=C(Cc1ccsc1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084796415 349328105 /nfs/dbraw/zinc/32/81/05/349328105.db2.gz YLKKWXKCFRAXCS-LBPRGKRZSA-N -1 3 279.321 0.101 10 0 CCAEHM O=C(Cc1cccs1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084796129 349328281 /nfs/dbraw/zinc/32/82/81/349328281.db2.gz ASEQXJBYKDNTRO-LBPRGKRZSA-N -1 3 279.321 0.101 10 0 CCAEHM CN(C)C[C@@H]1CN(C(=O)c2cncc([O-])c2)CCO1 ZINC000172081476 350957494 /nfs/dbraw/zinc/95/74/94/350957494.db2.gz MMSWQSZISODKQZ-GFCCVEGCSA-N -1 3 265.313 0.190 10 0 CCAEHM C[C@@H](O)CN1CCN(C(=O)c2cncc([O-])c2)C[C@H]1C ZINC000175961499 351152214 /nfs/dbraw/zinc/15/22/14/351152214.db2.gz JPYWYFDUANOBBV-GHMZBOCLSA-N -1 3 279.340 0.314 10 0 CCAEHM C[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000213431754 351931569 /nfs/dbraw/zinc/93/15/69/351931569.db2.gz UXRBSEMFZPHJKW-KCJUWKMLSA-N -1 3 266.297 0.241 10 0 CCAEHM CC(C)[C@@H](C)CC(=O)N1CCC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000194996290 351892806 /nfs/dbraw/zinc/89/28/06/351892806.db2.gz BFEWHIITTQAFRQ-HZMBPMFUSA-N -1 3 281.356 0.869 10 0 CCAEHM CO[C@H](C)CS(=O)(=O)[N-][C@H]1Cc2ccccc2[C@@H]1O ZINC000195286749 351907858 /nfs/dbraw/zinc/90/78/58/351907858.db2.gz LKZIUHTUSYIKLW-ICCXJUOJSA-N -1 3 285.365 0.599 10 0 CCAEHM N[N-]S(=O)(=O)c1ccc(Br)c(F)c1 ZINC000232293167 352143483 /nfs/dbraw/zinc/14/34/83/352143483.db2.gz RYHVTHQVSXMIGX-UHFFFAOYSA-N -1 3 269.095 0.740 10 0 CCAEHM NN=c1ncc(Br)c(SCC(N)=O)[n-]1 ZINC000300802939 354068636 /nfs/dbraw/zinc/06/86/36/354068636.db2.gz JJUQWNZUYAALTF-UHFFFAOYSA-N -1 3 278.135 0.102 10 0 CCAEHM NN=c1nc(SCC(N)=O)c(Br)c[n-]1 ZINC000300802939 354068639 /nfs/dbraw/zinc/06/86/39/354068639.db2.gz JJUQWNZUYAALTF-UHFFFAOYSA-N -1 3 278.135 0.102 10 0 CCAEHM O=c1nc(CN2CC[C@]3(O)CCCC[C@@H]3C2)[nH][n-]1 ZINC000305780303 354162519 /nfs/dbraw/zinc/16/25/19/354162519.db2.gz SSOFBKBPPOLOLD-BXKDBHETSA-N -1 3 252.318 0.225 10 0 CCAEHM CC(C)[C@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CCO1 ZINC000407990533 357854301 /nfs/dbraw/zinc/85/43/01/357854301.db2.gz LSXSMLHKGYCIDE-LLVKDONJSA-N -1 3 294.355 0.745 10 0 CCAEHM C[C@H]1C[C@H](NC(=O)c2cc(=O)[n-]c(N(C)C)n2)CCO1 ZINC000407990237 357854383 /nfs/dbraw/zinc/85/43/83/357854383.db2.gz KWLVQRXHONLCQI-DTWKUNHWSA-N -1 3 280.328 0.546 10 0 CCAEHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@]2(C)CO)c1 ZINC000408010351 357865439 /nfs/dbraw/zinc/86/54/39/357865439.db2.gz UWWIYTLHUJOJFG-GXSJLCMTSA-N -1 3 273.358 0.250 10 0 CCAEHM CCn1cc(S(=O)(=O)[N-][C@H]2CCO[C@H]2C)nc1C ZINC000408059007 357894883 /nfs/dbraw/zinc/89/48/83/357894883.db2.gz FNBSOMAEYSGSBM-WPRPVWTQSA-N -1 3 273.358 0.667 10 0 CCAEHM O=S(=O)([N-][C@H]1CCOC[C@@H]1O)c1ccc(F)cc1F ZINC000625593426 368263636 /nfs/dbraw/zinc/26/36/36/368263636.db2.gz AJRRDMDGFBZLDQ-UWVGGRQHSA-N -1 3 293.291 0.393 10 0 CCAEHM C[C@H](N[C@@H]1CCCCN(CC(=O)[O-])C1=O)[C@H]1CCCO1 ZINC000643875874 390590529 /nfs/dbraw/zinc/59/05/29/390590529.db2.gz DBXONALRJJWFOF-QJPTWQEYSA-N -1 3 284.356 0.609 10 0 CCAEHM Cc1csc(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000381038357 397484555 /nfs/dbraw/zinc/48/45/55/397484555.db2.gz NXPDIXMLLQYMDR-GFCCVEGCSA-N -1 3 279.321 0.481 10 0 CCAEHM C[C@H](C(=O)N1CCOCC1)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028024 298056763 /nfs/dbraw/zinc/05/67/63/298056763.db2.gz VYUODBLWINBVAU-VXGBXAGGSA-N -1 3 284.356 0.563 10 0 CCAEHM CC(C)N(CCNS(=O)(=O)CCC(=O)[O-])C(C)C ZINC000020245310 171098785 /nfs/dbraw/zinc/09/87/85/171098785.db2.gz OBUMOYHIYBHDBS-UHFFFAOYSA-N -1 3 280.390 0.499 10 0 CCAEHM CCC(C)(C)NC(=O)C(C)S(=O)(=O)CC(=O)[O-] ZINC000020421011 171186345 /nfs/dbraw/zinc/18/63/45/171186345.db2.gz VMWKBYCHBMUGHE-ZETCQYMHSA-N -1 3 265.331 0.179 10 0 CCAEHM Cc1cccc(O[C@@H](C)C(=O)Nc2c[nH]c(=O)[n-]c2=O)c1 ZINC000021027029 171291277 /nfs/dbraw/zinc/29/12/77/171291277.db2.gz SPISZPVALPQKPT-VIFPVBQESA-N -1 3 289.291 0.778 10 0 CCAEHM CN(Cc1cccs1)C(=O)CNCCC(=O)[O-] ZINC000035385938 172168334 /nfs/dbraw/zinc/16/83/34/172168334.db2.gz WJEGMNWUDXLPHY-UHFFFAOYSA-N -1 3 256.327 0.771 10 0 CCAEHM C[C@@H](CNC(=O)CNCCC(=O)[O-])c1ccccc1 ZINC000035386431 172168733 /nfs/dbraw/zinc/16/87/33/172168733.db2.gz FUFISCHRDPIEHC-NSHDSACASA-N -1 3 264.325 0.971 10 0 CCAEHM COCCCNC(=O)[C@H](C)N[C@@H](C(=O)[O-])C(C)C ZINC000035391004 172174615 /nfs/dbraw/zinc/17/46/15/172174615.db2.gz SWWLMEFCAVUGKN-VHSXEESVSA-N -1 3 260.334 0.226 10 0 CCAEHM CCOCC[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000036229350 172526876 /nfs/dbraw/zinc/52/68/76/172526876.db2.gz RJDQXQMUTQAHKY-UHFFFAOYSA-N -1 3 262.306 0.723 10 0 CCAEHM CC(C)N(CC(=O)[O-])C(=O)NC[C@@H]1CCCCN1C ZINC000044565464 175208679 /nfs/dbraw/zinc/20/86/79/175208679.db2.gz LKYKZAMWOONLDE-NSHDSACASA-N -1 3 271.361 0.975 10 0 CCAEHM CC(C)[C@@H](CNC(=O)N1CCN2CCC[C@H]2C1)C(=O)[O-] ZINC000251297108 544926135 /nfs/dbraw/zinc/92/61/35/544926135.db2.gz HJEHVAUWXWZIGN-NWDGAFQWSA-N -1 3 283.372 0.833 10 0 CCAEHM Cn1cc(C(=O)N2CC[C@@H]3CCC[C@H]32)c(=O)[n-]c1=O ZINC000330294665 294214702 /nfs/dbraw/zinc/21/47/02/294214702.db2.gz FHGVIHBAKJLRGV-WCBMZHEXSA-N -1 3 263.297 0.501 10 0 CCAEHM CCc1cccc(OC(=O)C[N-]S(C)(=O)=O)c1 ZINC000074598752 517853414 /nfs/dbraw/zinc/85/34/14/517853414.db2.gz DYIDVBQAIJNEJL-UHFFFAOYSA-N -1 3 257.311 0.704 10 0 CCAEHM COC(=O)c1cccc(NC(=O)c2nnc(N)[n-]2)c1 ZINC000055169358 522240483 /nfs/dbraw/zinc/24/04/83/522240483.db2.gz SOLWXLCZBKOZMD-UHFFFAOYSA-N -1 3 261.241 0.426 10 0 CCAEHM COC(=O)c1cccc(NC(=O)c2nc(N)n[n-]2)c1 ZINC000055169358 522240490 /nfs/dbraw/zinc/24/04/90/522240490.db2.gz SOLWXLCZBKOZMD-UHFFFAOYSA-N -1 3 261.241 0.426 10 0 CCAEHM COC(=O)c1cccc(NC(=O)c2n[n-]c(N)n2)c1 ZINC000055169358 522240499 /nfs/dbraw/zinc/24/04/99/522240499.db2.gz SOLWXLCZBKOZMD-UHFFFAOYSA-N -1 3 261.241 0.426 10 0 CCAEHM C[C@@H](Cn1ccnc1)[N-]S(=O)(=O)c1cc(N)cs1 ZINC000049234668 524962037 /nfs/dbraw/zinc/96/20/37/524962037.db2.gz XWZIIIBHUATQQP-QMMMGPOBSA-N -1 3 286.382 0.894 10 0 CCAEHM COc1nc(N(C)C)sc1CN[C@H](C)C(=O)[O-] ZINC000049356685 524975727 /nfs/dbraw/zinc/97/57/27/524975727.db2.gz WEEPKONIFCTETE-ZCFIWIBFSA-N -1 3 259.331 0.780 10 0 CCAEHM CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cccc2nn[n-]c21 ZINC000670148738 545229677 /nfs/dbraw/zinc/22/96/77/545229677.db2.gz MMEUGCOXPVHNKJ-JTQLQIEISA-N -1 3 287.323 0.745 10 0 CCAEHM CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cccc2[n-]nnc21 ZINC000670148738 545229678 /nfs/dbraw/zinc/22/96/78/545229678.db2.gz MMEUGCOXPVHNKJ-JTQLQIEISA-N -1 3 287.323 0.745 10 0 CCAEHM CC1(C)NC(=O)CC[C@@H]1NC(=O)c1cccc2n[n-]nc21 ZINC000670148738 545229679 /nfs/dbraw/zinc/22/96/79/545229679.db2.gz MMEUGCOXPVHNKJ-JTQLQIEISA-N -1 3 287.323 0.745 10 0 CCAEHM Cc1cccc(Cc2cc(=O)n3nc(N)[n-]c3n2)c1 ZINC000757120761 581939628 /nfs/dbraw/zinc/93/96/28/581939628.db2.gz HGHKVFZQQSYOKP-UHFFFAOYSA-N -1 3 255.281 0.899 10 0 CCAEHM O=S(=O)([N-]CC1CC(O)C1)c1cnc(Cl)c(F)c1 ZINC000311068735 625472508 /nfs/dbraw/zinc/47/25/08/625472508.db2.gz UNBYDAOGBSPHAU-UHFFFAOYSA-N -1 3 294.735 0.923 10 0 CCAEHM CN(C(=O)NC[C@H]1CCCN1C)C(C)(C)C(=O)[O-] ZINC000225890696 636959218 /nfs/dbraw/zinc/95/92/18/636959218.db2.gz YQNHPHNVRFTEHP-SECBINFHSA-N -1 3 257.334 0.585 10 0 CCAEHM O=C(N[C@H]1C[C@@H](C(=O)[O-])C1)N[C@@H]1CCN(C2CC2)C1 ZINC000703570930 954913210 /nfs/dbraw/zinc/91/32/10/954913210.db2.gz KGOPIUBGOGVTEF-BBBLOLIVSA-N -1 3 267.329 0.386 10 0 CCAEHM CCN(C(=O)NCC1(C(=O)[O-])CCC1)[C@@H]1CCN(C)C1 ZINC000710553469 955029233 /nfs/dbraw/zinc/02/92/33/955029233.db2.gz DNCRHDWWTWPCEM-LLVKDONJSA-N -1 3 283.372 0.977 10 0 CCAEHM O=C([O-])CS(=O)(=O)CCNC[C@H]1CCC2(CCC2)O1 ZINC000711463429 955039062 /nfs/dbraw/zinc/03/90/62/955039062.db2.gz PCDLKNQGLVMVCP-SNVBAGLBSA-N -1 3 291.369 0.177 10 0 CCAEHM CN1CCC[C@H]2[C@H]1CCN2C(=O)C1(C(=O)[O-])CC1 ZINC000720887698 969111986 /nfs/dbraw/zinc/11/19/86/969111986.db2.gz LSVZFWXMINSMPL-ZJUUUORDSA-N -1 3 252.314 0.546 10 0 CCAEHM CN1CCNC[C@@H]1C(=O)NC1(CC(=O)[O-])CCCCC1 ZINC000686119123 976100203 /nfs/dbraw/zinc/10/02/03/976100203.db2.gz UNZMFOBRSJMSSU-LLVKDONJSA-N -1 3 283.372 0.184 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCO[C@@H](C(F)F)CC1 ZINC000687578164 976149717 /nfs/dbraw/zinc/14/97/17/976149717.db2.gz PUKYIMLJIDSIQQ-HTQZYQBOSA-N -1 3 280.271 0.061 10 0 CCAEHM CCN(CC(=O)[O-])C(=O)c1cc2c(s1)CCNC2 ZINC000688053035 976163402 /nfs/dbraw/zinc/16/34/02/976163402.db2.gz LEQSQPGBUGNOGE-UHFFFAOYSA-N -1 3 268.338 0.941 10 0 CCAEHM CCN(CCC(F)(F)F)C(=O)[C@H](N)CCC(=O)[O-] ZINC000689101998 976223229 /nfs/dbraw/zinc/22/32/29/976223229.db2.gz RZLRLDBZXBTDEK-SSDOTTSWSA-N -1 3 270.251 0.979 10 0 CCAEHM CC(C)C[C@H](N)C(=O)NC[C@H](CC(=O)[O-])C1CC1 ZINC000690477541 976303721 /nfs/dbraw/zinc/30/37/21/976303721.db2.gz ZRSWFCBDIPIZFT-QWRGUYRKSA-N -1 3 256.346 0.977 10 0 CCAEHM Cc1cc(CN2CC[C@H](CC(N)=O)C2)oc1C(=O)[O-] ZINC000690783131 976333151 /nfs/dbraw/zinc/33/31/51/976333151.db2.gz HWIWUMTYDYUCFD-SECBINFHSA-N -1 3 266.297 0.984 10 0 CCAEHM C[C@]1(CO)C[C@H](O)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000698138222 976880041 /nfs/dbraw/zinc/88/00/41/976880041.db2.gz PABKOVVTZYPUCL-IINYFYTJSA-N -1 3 283.299 0.842 10 0 CCAEHM C[C@@]1(CO)C[C@H](O)CN1Cc1ccsc1C(=O)[O-] ZINC000698137871 976880229 /nfs/dbraw/zinc/88/02/29/976880229.db2.gz MNYNFFAMMABVPP-CABZTGNLSA-N -1 3 271.338 0.764 10 0 CCAEHM O=C([O-])c1coc(CNC[C@@]2(O)CCSC2)c1 ZINC000702307473 977076668 /nfs/dbraw/zinc/07/66/68/977076668.db2.gz RFEQKRHXYRTTDY-NSHDSACASA-N -1 3 257.311 0.935 10 0 CCAEHM C[C@H]1CN(CC2(CS(C)(=O)=O)CC2)C[C@]1(C)C(=O)[O-] ZINC000710203525 977493278 /nfs/dbraw/zinc/49/32/78/977493278.db2.gz DNVSDDLBRMQPGU-JQWIXIFHSA-N -1 3 289.397 0.854 10 0 CCAEHM CCn1nccc1CNC[C@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715271981 977717869 /nfs/dbraw/zinc/71/78/69/977717869.db2.gz OHDFSVKSTXTIDQ-IUCAKERBSA-N -1 3 259.256 0.959 10 0 CCAEHM O=C([O-])[C@H]1[C@H](CNCC(=O)NCc2ccco2)C1(F)F ZINC000715334388 977745256 /nfs/dbraw/zinc/74/52/56/977745256.db2.gz MKAGRMAWROWVKZ-WCBMZHEXSA-N -1 3 288.250 0.451 10 0 CCAEHM Cc1cc(CN2C[C@H](O)C[C@@H](C(=O)[O-])C2)c(C)nn1 ZINC000720569220 978038131 /nfs/dbraw/zinc/03/81/31/978038131.db2.gz YPABUFOLRSBKKZ-VXGBXAGGSA-N -1 3 265.313 0.361 10 0 CCAEHM O=C([O-])C[C@@H]1CSCCN1CCO[C@@H]1CCOC1 ZINC000724943330 978249124 /nfs/dbraw/zinc/24/91/24/978249124.db2.gz NYBSDTSDMJPWTG-GHMZBOCLSA-N -1 3 275.370 0.684 10 0 CCAEHM CCS(=O)(=O)CCNCc1nc(C)ccc1[O-] ZINC000103345195 349698009 /nfs/dbraw/zinc/69/80/09/349698009.db2.gz VABHFNCNMHWKMB-UHFFFAOYSA-N -1 3 258.343 0.620 10 0 CCAEHM Cc1noc(C)c1S(=O)(=O)[N-][C@@H]1CCc2ncnn2C1 ZINC000113298306 349809770 /nfs/dbraw/zinc/80/97/70/349809770.db2.gz LMQZTXXYQHIHFL-SECBINFHSA-N -1 3 297.340 0.176 10 0 CCAEHM COC(=O)c1ccccc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085811863 179178826 /nfs/dbraw/zinc/17/88/26/179178826.db2.gz GYXJLJPKXGFMIE-QMMMGPOBSA-N -1 3 266.253 0.214 10 0 CCAEHM CC(C)C1(C(=O)N2CCO[C@H](CN(C)CC(=O)[O-])C2)CC1 ZINC000262767798 137052695 /nfs/dbraw/zinc/05/26/95/137052695.db2.gz AXRKVHHOMPIMMO-GFCCVEGCSA-N -1 3 298.383 0.666 10 0 CCAEHM CCNC(=O)NC(=O)CN1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1 ZINC000262249538 137032950 /nfs/dbraw/zinc/03/29/50/137032950.db2.gz ZFJNFAVUOJUXKV-TVQRCGJNSA-N -1 3 283.328 0.019 10 0 CCAEHM CC(C)C[C@H](N)[C@@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000027424252 348099616 /nfs/dbraw/zinc/09/96/16/348099616.db2.gz GPOZZLLZFGFHTR-GARJFASQSA-N -1 3 274.361 0.336 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@@H](c3nnn[n-]3)C[C@@H]2C1 ZINC000056705146 348593872 /nfs/dbraw/zinc/59/38/72/348593872.db2.gz KPJGJAMQQDPGGT-VHSXEESVSA-N -1 3 294.359 0.608 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@@H](c3nn[n-]n3)C[C@@H]2C1 ZINC000056705146 348593874 /nfs/dbraw/zinc/59/38/74/348593874.db2.gz KPJGJAMQQDPGGT-VHSXEESVSA-N -1 3 294.359 0.608 10 0 CCAEHM C[C@H](Cc1ccc(F)cc1)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085818000 349335976 /nfs/dbraw/zinc/33/59/76/349335976.db2.gz GPPRWHIUOAXMJM-KCJUWKMLSA-N -1 3 268.288 0.675 10 0 CCAEHM O=C(Cc1ccc(F)cc1)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000083856368 349311346 /nfs/dbraw/zinc/31/13/46/349311346.db2.gz KVUYDPUIORXCJH-AWEZNQCLSA-N -1 3 291.282 0.179 10 0 CCAEHM CC(C)(C)CC(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000083856286 349311952 /nfs/dbraw/zinc/31/19/52/349311952.db2.gz JPOYVSZNXXTGSY-LBPRGKRZSA-N -1 3 253.302 0.233 10 0 CCAEHM O=C(CN1CC(=O)[N-]C1=O)N1CCCC[C@@H]1c1cn[nH]c1 ZINC000134945657 350380171 /nfs/dbraw/zinc/38/01/71/350380171.db2.gz RBKIZYSOHHMQCY-SNVBAGLBSA-N -1 3 291.311 0.015 10 0 CCAEHM C[C@H]1CN(C(=O)c2cncc([O-])c2)C[C@@H]1N1CCOCC1 ZINC000173979167 351065422 /nfs/dbraw/zinc/06/54/22/351065422.db2.gz UTPNWXRHATUJRD-FZMZJTMJSA-N -1 3 291.351 0.580 10 0 CCAEHM C[C@@H](Cc1ccc2c(c1)OCO2)NC(=O)[C@@H](N)CC(=O)[O-] ZINC000213431892 351931857 /nfs/dbraw/zinc/93/18/57/351931857.db2.gz IHZOUHIOGNOHOA-WPRPVWTQSA-N -1 3 294.307 0.265 10 0 CCAEHM C[C@@H]1C[C@H]1[N-]S(=O)(=O)c1c(Br)nnn1C ZINC000235281742 352182126 /nfs/dbraw/zinc/18/21/26/352182126.db2.gz VUOLESLQNVGERZ-RFZPGFLSSA-N -1 3 295.162 0.264 10 0 CCAEHM CC[C@@H]1CN(C(=O)c2cncc([O-])c2)CCN1C[C@H](C)O ZINC000248451180 352442205 /nfs/dbraw/zinc/44/22/05/352442205.db2.gz FXOXWURMBCINNF-WCQYABFASA-N -1 3 293.367 0.704 10 0 CCAEHM COc1nnc(NC(=O)[C@@H](C)NC(=O)c2ccco2)[n-]1 ZINC000158283193 188368533 /nfs/dbraw/zinc/36/85/33/188368533.db2.gz RMAODDIMEPQACE-ZCFIWIBFSA-N -1 3 279.256 0.163 10 0 CCAEHM COc1nc(NC(=O)[C@@H](C)NC(=O)c2ccco2)n[n-]1 ZINC000158283193 188368535 /nfs/dbraw/zinc/36/85/35/188368535.db2.gz RMAODDIMEPQACE-ZCFIWIBFSA-N -1 3 279.256 0.163 10 0 CCAEHM COc1n[n-]c(NC(=O)[C@@H](C)NC(=O)c2ccco2)n1 ZINC000158283193 188368536 /nfs/dbraw/zinc/36/85/36/188368536.db2.gz RMAODDIMEPQACE-ZCFIWIBFSA-N -1 3 279.256 0.163 10 0 CCAEHM N[C@@H](C(=O)[O-])[C@@H](O)c1cscc1Br ZINC000306835759 354177624 /nfs/dbraw/zinc/17/76/24/354177624.db2.gz RVISWEHJDSOAON-RITPCOANSA-N -1 3 266.116 0.956 10 0 CCAEHM O=c1[n-]c([C@@H]2CCCN([C@H]3CCCC[C@H]3O)C2)n[nH]1 ZINC000329615951 354258702 /nfs/dbraw/zinc/25/87/02/354258702.db2.gz DIKCAFGIQSUGQP-OUAUKWLOSA-N -1 3 266.345 0.993 10 0 CCAEHM CCN1CC[C@H](N=c2ccc(C(=O)OC)n[n-]2)C1 ZINC000389190784 357736202 /nfs/dbraw/zinc/73/62/02/357736202.db2.gz VADILKUMROIFKZ-VIFPVBQESA-N -1 3 250.302 0.191 10 0 CCAEHM CN(C)[C@H]1CCN(C(=O)N=c2ncn(C(C)(C)C)[n-]2)C1 ZINC000408189218 357959319 /nfs/dbraw/zinc/95/93/19/357959319.db2.gz MONZLRIOVLWPMT-JTQLQIEISA-N -1 3 280.376 0.623 10 0 CCAEHM COC(=O)C1([N-]S(=O)(=O)NC2CCCC2)CCCC1 ZINC000408378035 358062415 /nfs/dbraw/zinc/06/24/15/358062415.db2.gz BHCAXYFLBUOQKA-UHFFFAOYSA-N -1 3 290.385 0.839 10 0 CCAEHM CC(C)[C@H]1N(C(=O)CN2CC(=O)[N-]C2=O)C[C@]12CCCO2 ZINC000329351140 202294861 /nfs/dbraw/zinc/29/48/61/202294861.db2.gz XAUNJKOICPYSBO-TZMCWYRMSA-N -1 3 295.339 0.795 10 0 CCAEHM c1ccc(CN2CCOC[C@H](c3nnn[n-]3)C2)cc1 ZINC000616661912 365415340 /nfs/dbraw/zinc/41/53/40/365415340.db2.gz BQRMGCFMTGKCGD-GFCCVEGCSA-N -1 3 259.313 0.816 10 0 CCAEHM c1ccc(CN2CCOC[C@H](c3nn[n-]n3)C2)cc1 ZINC000616661912 365415346 /nfs/dbraw/zinc/41/53/46/365415346.db2.gz BQRMGCFMTGKCGD-GFCCVEGCSA-N -1 3 259.313 0.816 10 0 CCAEHM COc1cccc(C(=O)N[C@H]2CCOC[C@@H]2O)c1[O-] ZINC000629223268 369581272 /nfs/dbraw/zinc/58/12/72/369581272.db2.gz IOFKSFDQUAFTRK-UWVGGRQHSA-N -1 3 267.281 0.280 10 0 CCAEHM C[C@@H](C(=O)[O-])N(C)C(=O)[C@@H](N)CN(C)Cc1ccccc1 ZINC000630570705 370177261 /nfs/dbraw/zinc/17/72/61/370177261.db2.gz DDORBONMVAKXFQ-AAEUAGOBSA-N -1 3 293.367 0.377 10 0 CCAEHM O=C([O-])[C@H]1CCCN(C2CCS(=O)(=O)CC2)C1 ZINC000058825688 304183717 /nfs/dbraw/zinc/18/37/17/304183717.db2.gz NEJUYNHSPQBSAX-VIFPVBQESA-N -1 3 261.343 0.360 10 0 CCAEHM O=C([O-])[C@H]1CNCCN1c1cccc(Br)n1 ZINC000095073744 304198847 /nfs/dbraw/zinc/19/88/47/304198847.db2.gz FVDYGIQGEZXFMT-SSDOTTSWSA-N -1 3 286.129 0.707 10 0 CCAEHM CCN=c1[n-]c(C(=O)N[C@H]2CCC(=O)N[C@H]2C)cs1 ZINC000443376464 249024662 /nfs/dbraw/zinc/02/46/62/249024662.db2.gz WSSCTJQTRPBHCB-YUMQZZPRSA-N -1 3 282.369 0.394 10 0 CCAEHM C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc2n[n-]nc2c1 ZINC000393307738 285209965 /nfs/dbraw/zinc/20/99/65/285209965.db2.gz NWMJXYYKTYQXOX-VXNVDRBHSA-N -1 3 273.296 0.355 10 0 CCAEHM COc1ccc(C(=O)N[C@H]2CCC(=O)N[C@@H]2C)c([O-])c1 ZINC000281675066 195331264 /nfs/dbraw/zinc/33/12/64/195331264.db2.gz CUAKROSOXYLBFY-KCJUWKMLSA-N -1 3 278.308 0.798 10 0 CCAEHM C[C@H]1CCN([C@@H]2CCCCN(CC(=O)[O-])C2=O)C1 ZINC000643873291 390591268 /nfs/dbraw/zinc/59/12/68/390591268.db2.gz WLOSZEPEQWXZLZ-WDEREUQCSA-N -1 3 254.330 0.794 10 0 CCAEHM CC(C)=C(F)C(=O)N1CCO[C@@H](CN(C)CC(=O)[O-])C1 ZINC000370630212 144310105 /nfs/dbraw/zinc/31/01/05/144310105.db2.gz GCOIDQAUIFRVQG-JTQLQIEISA-N -1 3 288.319 0.494 10 0 CCAEHM CCCCCNC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000020421295 171186887 /nfs/dbraw/zinc/18/68/87/171186887.db2.gz PMNWJJZBRADMIC-BDAKNGLRSA-N -1 3 279.358 0.569 10 0 CCAEHM COc1ccc(CCC(=O)Nc2c[nH]c(=O)[n-]c2=O)cc1 ZINC000021027195 171291172 /nfs/dbraw/zinc/29/11/72/171291172.db2.gz SDGSJCYZKZSXPC-UHFFFAOYSA-N -1 3 289.291 0.643 10 0 CCAEHM COc1ccc(C(=O)N2C[C@H](OC)C[C@H]2CO)c([O-])c1 ZINC000284818670 196137555 /nfs/dbraw/zinc/13/75/55/196137555.db2.gz ADSQGFSJAXCIER-GXSJLCMTSA-N -1 3 281.308 0.623 10 0 CCAEHM COCCNC(=O)[C@H](C)N1CCCC[C@@H]1CC(=O)[O-] ZINC000038028009 174014834 /nfs/dbraw/zinc/01/48/34/174014834.db2.gz XFISBFRXJPZYMS-WDEREUQCSA-N -1 3 272.345 0.467 10 0 CCAEHM Nc1c(=O)[n-]cnc1NCc1ccc2c(c1)OCO2 ZINC000040686247 174375111 /nfs/dbraw/zinc/37/51/11/174375111.db2.gz NOXQVBVKCMICTC-UHFFFAOYSA-N -1 3 260.253 0.693 10 0 CCAEHM COc1ccc(Cc2nnc([C@@H](C)N)c(=O)[n-]2)cc1OC ZINC000071973423 176306142 /nfs/dbraw/zinc/30/61/42/176306142.db2.gz RELKLVHRYOAUBD-MRVPVSSYSA-N -1 3 290.323 0.793 10 0 CCAEHM O=C([C@H]1CCCCS1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000167947602 544728631 /nfs/dbraw/zinc/72/86/31/544728631.db2.gz HWUYPHFHQSPPLI-PRHODGIISA-N -1 3 283.353 0.083 10 0 CCAEHM Cn1cc(C(=O)N2CC[C@H]3CCC[C@H]32)c(=O)[n-]c1=O ZINC000330294663 545030801 /nfs/dbraw/zinc/03/08/01/545030801.db2.gz FHGVIHBAKJLRGV-PSASIEDQSA-N -1 3 263.297 0.501 10 0 CCAEHM C[C@H]1CNCCN1C(=O)N=c1ccc(C2CC2)n[n-]1 ZINC000333186508 300320114 /nfs/dbraw/zinc/32/01/14/300320114.db2.gz SZUXRPXBGQQQSQ-VIFPVBQESA-N -1 3 261.329 0.602 10 0 CCAEHM CCCNC(=O)[C@H](C)[N-]S(=O)(=O)c1cc(N)cs1 ZINC000049192775 519893110 /nfs/dbraw/zinc/89/31/10/519893110.db2.gz UOHJNCDGHHDIIY-ZETCQYMHSA-N -1 3 291.398 0.523 10 0 CCAEHM CCN(C(=O)NC[C@H](C)N(C)C)[C@H](C)CC(=O)[O-] ZINC000061214611 519966294 /nfs/dbraw/zinc/96/62/94/519966294.db2.gz NHYGIFJZLPAEOV-ZJUUUORDSA-N -1 3 259.350 0.831 10 0 CCAEHM CCN(CC)C(=O)N1CCCN(CC(=O)[O-])CC1 ZINC000061145311 520504528 /nfs/dbraw/zinc/50/45/28/520504528.db2.gz BFGYCANOTDIHMP-UHFFFAOYSA-N -1 3 257.334 0.541 10 0 CCAEHM CCn1c(=O)[n-]nc1SCC[C@@](C)([NH2+]C)C(=O)[O-] ZINC000061607580 523094358 /nfs/dbraw/zinc/09/43/58/523094358.db2.gz NCPJDVLLCQFMOM-SNVBAGLBSA-N -1 3 274.346 0.136 10 0 CCAEHM CCn1cnc(S(=O)(=O)[N-][C@H]2CCC[C@@H](O)C2)c1 ZINC000676846147 545353904 /nfs/dbraw/zinc/35/39/04/545353904.db2.gz YXIAZGIEQWVZAG-VHSXEESVSA-N -1 3 273.358 0.485 10 0 CCAEHM Cc1nc(N2CC[C@H](N3CCOCC3)C2)cc(=O)[n-]1 ZINC000162852627 630905312 /nfs/dbraw/zinc/90/53/12/630905312.db2.gz XOFKQZVOIPJLBO-NSHDSACASA-N -1 3 264.329 0.402 10 0 CCAEHM CN1CCC[C@@H]1CNC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000225867695 636959598 /nfs/dbraw/zinc/95/95/98/636959598.db2.gz GGMROBFRBDKGNR-ZJUUUORDSA-N -1 3 255.318 0.339 10 0 CCAEHM CC(C)CC[C@@H](N)C(=O)NCCSCC(=O)[O-] ZINC000704497503 977236756 /nfs/dbraw/zinc/23/67/56/977236756.db2.gz WDZOUHJBAZQEFA-SECBINFHSA-N -1 3 262.375 0.684 10 0 CCAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)NCCC(=O)[O-] ZINC000690046847 954666308 /nfs/dbraw/zinc/66/63/08/954666308.db2.gz KJBKWRCEAXFWHR-SECBINFHSA-N -1 3 257.334 0.633 10 0 CCAEHM CCN(C(=O)NC[C@H](C)C(=O)[O-])[C@@H]1CCN(C)C1 ZINC000693471473 954756594 /nfs/dbraw/zinc/75/65/94/954756594.db2.gz KDCDMHWGWMYKBR-VHSXEESVSA-N -1 3 257.334 0.443 10 0 CCAEHM COC[C@@]1(C(=O)[O-])CN(CCCn2ccnc2)CCO1 ZINC000711537553 955047676 /nfs/dbraw/zinc/04/76/76/955047676.db2.gz VLOKBRAKQOADPZ-CYBMUJFWSA-N -1 3 283.328 0.075 10 0 CCAEHM C[C@@H]1CS(=O)(=O)C[C@@H]1NCc1ccc(C(=O)[O-])cc1 ZINC000711674635 955058098 /nfs/dbraw/zinc/05/80/98/955058098.db2.gz MPSBFQNXAFHRFT-SKDRFNHKSA-N -1 3 283.349 0.908 10 0 CCAEHM CN([C@H](CO)C(C)(C)C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000689296192 968893442 /nfs/dbraw/zinc/89/34/42/968893442.db2.gz NGTVPHYJLSUMKB-VHSXEESVSA-N -1 3 272.345 0.011 10 0 CCAEHM CC[C@H](NC(=O)[C@]1(COC)CCCCN1)C(=O)[O-] ZINC000692205806 976406513 /nfs/dbraw/zinc/40/65/13/976406513.db2.gz NSCMIZNSQAFIOA-JOYOIKCWSA-N -1 3 258.318 0.125 10 0 CCAEHM CC(C)C[C@@H](C(=O)[O-])N1CCC[C@H](S(C)(=O)=O)C1 ZINC000695166001 976785784 /nfs/dbraw/zinc/78/57/84/976785784.db2.gz JJMPGOQONLAWED-QWRGUYRKSA-N -1 3 277.386 0.995 10 0 CCAEHM C[C@@H]1[C@H](C(=O)[O-])CCN1CC[C@H]1CCS(=O)(=O)C1 ZINC000696799726 976826274 /nfs/dbraw/zinc/82/62/74/976826274.db2.gz XGXZAHZMZQPAID-OUAUKWLOSA-N -1 3 275.370 0.606 10 0 CCAEHM C[C@@H]1CC(F)(F)CCN1C(=O)[C@H](N)CCC(=O)[O-] ZINC000697487377 976846696 /nfs/dbraw/zinc/84/66/96/976846696.db2.gz NIDNEWCNCGRKNH-HTQZYQBOSA-N -1 3 264.272 0.825 10 0 CCAEHM CC[C@H](NCc1cccc(C(=O)[O-])c1)C(=O)NC ZINC000697877764 976866444 /nfs/dbraw/zinc/86/64/44/976866444.db2.gz DBCRPBCBWFPOIC-NSHDSACASA-N -1 3 250.298 0.999 10 0 CCAEHM CC[C@@H](NCc1ccc(C(=O)[O-])cc1)C(=O)NC ZINC000697877974 976866890 /nfs/dbraw/zinc/86/68/90/976866890.db2.gz GNPOPDQGQRIBQZ-LLVKDONJSA-N -1 3 250.298 0.999 10 0 CCAEHM O=C([O-])c1ccc(CN2C[C@H](O)C[C@H]2CO)s1 ZINC000698209354 976884793 /nfs/dbraw/zinc/88/47/93/976884793.db2.gz CAMWOXUKZYIXIH-JGVFFNPUSA-N -1 3 257.311 0.374 10 0 CCAEHM CCc1noc(C)c1CN1C[C@H](O)C[C@H](C(=O)[O-])C1 ZINC000700772520 976971645 /nfs/dbraw/zinc/97/16/45/976971645.db2.gz BGQRZBUPLXRUJV-VHSXEESVSA-N -1 3 268.313 0.813 10 0 CCAEHM CCn1cc(CN2CC[C@@](OC)(C(=O)[O-])C2)cn1 ZINC000703748795 977186185 /nfs/dbraw/zinc/18/61/85/977186185.db2.gz KYQJCXNGKAIDIL-LBPRGKRZSA-N -1 3 253.302 0.579 10 0 CCAEHM Cc1cnccc1CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000705302601 977272840 /nfs/dbraw/zinc/27/28/40/977272840.db2.gz FOTSJSKFNNNKQI-NEPJUHHUSA-N -1 3 250.298 0.657 10 0 CCAEHM CCN(C(=O)c1cccc(C(=O)[O-])n1)[C@H]1CCN(C)C1 ZINC000710526160 977511571 /nfs/dbraw/zinc/51/15/71/977511571.db2.gz HXQHEZBGQBTBAR-JTQLQIEISA-N -1 3 277.324 0.946 10 0 CCAEHM C[C@@]1(C(F)(F)F)CN(C(=O)[C@H](N)CCC(=O)[O-])CCO1 ZINC000712747811 977590785 /nfs/dbraw/zinc/59/07/85/977590785.db2.gz UBTOIHIBGVNHPN-XCBNKYQSSA-N -1 3 298.261 0.358 10 0 CCAEHM N[C@@H](CCC(=O)[O-])C(=O)NC[C@@H]1CCC2(CCC2)CO1 ZINC000716309841 977830584 /nfs/dbraw/zinc/83/05/84/977830584.db2.gz DMBXVAGQOMHQIN-QWRGUYRKSA-N -1 3 284.356 0.644 10 0 CCAEHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1 ZINC000717845237 977922327 /nfs/dbraw/zinc/92/23/27/977922327.db2.gz JOGLKEHHSFFKBA-QCNOEVLYSA-N -1 3 282.340 0.314 10 0 CCAEHM CN1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000720853248 978067891 /nfs/dbraw/zinc/06/78/91/978067891.db2.gz BDQSYHOSHRSMLA-ZRUFSTJUSA-N -1 3 252.314 0.402 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)NC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000722390027 978140860 /nfs/dbraw/zinc/14/08/60/978140860.db2.gz SJNMLOGJQITVDL-BWZBUEFSSA-N -1 3 298.261 0.405 10 0 CCAEHM C[C@@H]1CN(CC(=O)NCC2CC2)C[C@H]1CC(=O)[O-] ZINC000722676707 978161846 /nfs/dbraw/zinc/16/18/46/978161846.db2.gz UXGUMLCXLMCOBB-MWLCHTKSSA-N -1 3 254.330 0.555 10 0 CCAEHM Cn1nc(NC(=O)N[C@@H]2CCCN(C)C2)cc1C(=O)[O-] ZINC000725215727 978256362 /nfs/dbraw/zinc/25/63/62/978256362.db2.gz GUXHYFHFXZWRQT-MRVPVSSYSA-N -1 3 281.316 0.334 10 0 CCAEHM CN([C@@H]1CCCNC1)S(=O)(=O)c1nc2ccccc2[n-]1 ZINC000095070618 349587487 /nfs/dbraw/zinc/58/74/87/349587487.db2.gz DECHXOGAOVZRGT-SNVBAGLBSA-N -1 3 294.380 0.935 10 0 CCAEHM CCn1cnc(S(=O)(=O)[N-]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000092910395 136806605 /nfs/dbraw/zinc/80/66/05/136806605.db2.gz KPMRVZFNZYTDDR-QWRGUYRKSA-N -1 3 287.385 0.732 10 0 CCAEHM CCN=c1[n-]c(C(=O)N2CC[C@H](CCO)C2)cs1 ZINC000345017811 137228654 /nfs/dbraw/zinc/22/86/54/137228654.db2.gz RVSINXNILANYQH-SECBINFHSA-N -1 3 269.370 0.841 10 0 CCAEHM CCN(CC)CCOC(=S)[N-][C@H]1CCS(=O)(=O)C1 ZINC000040166453 348230743 /nfs/dbraw/zinc/23/07/43/348230743.db2.gz YUSXJZOHTHSBOQ-JTQLQIEISA-N -1 3 294.442 0.406 10 0 CCAEHM CC[C@H](C)[C@@H](NC(=O)N(C)CCN(C)C)C(=O)[O-] ZINC000104197040 185927274 /nfs/dbraw/zinc/92/72/74/185927274.db2.gz KDHYCNMQXFUMIR-VHSXEESVSA-N -1 3 259.350 0.689 10 0 CCAEHM O=C(CC1CCCC1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000083856357 349311837 /nfs/dbraw/zinc/31/18/37/349311837.db2.gz RICHCIHFTDHVSM-CYBMUJFWSA-N -1 3 265.313 0.377 10 0 CCAEHM Cc1nc(C)c(CCC(=O)N2[C@H](C)COC[C@H]2C)c(=O)[n-]1 ZINC000130921054 350254174 /nfs/dbraw/zinc/25/41/74/350254174.db2.gz SJYGBERAEFOJAP-NXEZZACHSA-N -1 3 293.367 0.955 10 0 CCAEHM Nc1nc2c(c(=O)[n-]1)CCN(Cc1ccccc1)C2 ZINC000168609435 350829150 /nfs/dbraw/zinc/82/91/50/350829150.db2.gz DVTLGBBWYBVDPH-NSHDSACASA-N -1 3 256.309 0.804 10 0 CCAEHM CCN(CC1CC1)S(=O)(=O)[N-]CC(=O)C(C)C ZINC000185930781 351466716 /nfs/dbraw/zinc/46/67/16/351466716.db2.gz DRWYNNTUDVFRJN-UHFFFAOYSA-N -1 3 262.375 0.778 10 0 CCAEHM Cc1ncc(S(=O)(=O)[N-][C@@H]2CCC(=O)N[C@H]2C)s1 ZINC000282097249 353392766 /nfs/dbraw/zinc/39/27/66/353392766.db2.gz 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CC(C)=C(F)C(=O)N1CCO[C@H](CN(C)CC(=O)[O-])C1 ZINC000370630219 144310313 /nfs/dbraw/zinc/31/03/13/144310313.db2.gz GCOIDQAUIFRVQG-SNVBAGLBSA-N -1 3 288.319 0.494 10 0 CCAEHM N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000004899652 170037880 /nfs/dbraw/zinc/03/78/80/170037880.db2.gz VNYDHJARLHNEGA-RYUDHWBXSA-N -1 3 278.308 0.338 10 0 endogenous,in-man CCAEHM CC(C(=O)NC1CCCCC1)S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000020421178 171186720 /nfs/dbraw/zinc/18/67/20/171186720.db2.gz RPQHOMCBZOBZIO-IUCAKERBSA-N -1 3 291.369 0.712 10 0 CCAEHM CC(C)CCNC(=O)C(C)S(=O)(=O)CCC(=O)[O-] ZINC000020421473 171187726 /nfs/dbraw/zinc/18/77/26/171187726.db2.gz VNEDHCRKPARKMC-SECBINFHSA-N -1 3 279.358 0.427 10 0 CCAEHM O=C1O[C@H](n2c(=O)[n-]cc(F)c2=O)c2ccccc21 ZINC000028228033 171552032 /nfs/dbraw/zinc/55/20/32/171552032.db2.gz LHEJDBBHZGISGW-JTQLQIEISA-N -1 3 262.196 0.393 10 0 CCAEHM CO[C@@H]1C[C@@H](CO)N(C(=O)c2cc(C)ccc2[O-])C1 ZINC000284920641 196157206 /nfs/dbraw/zinc/15/72/06/196157206.db2.gz ILJQIQQHHUTAKC-WDEREUQCSA-N -1 3 265.309 0.922 10 0 CCAEHM CC(C)c1nnc(NC(=O)CSC[C@@H](N)C(=O)[O-])o1 ZINC000035296417 172108911 /nfs/dbraw/zinc/10/89/11/172108911.db2.gz YBNVABSLEMCXES-ZCFIWIBFSA-N -1 3 288.329 0.277 10 0 CCAEHM NN=c1[nH]cccc1S(=O)(=O)[N-]Cc1ccccc1F ZINC000035358467 172149065 /nfs/dbraw/zinc/14/90/65/172149065.db2.gz GFLWNOONNLNBPB-UHFFFAOYSA-N -1 3 296.327 0.985 10 0 CCAEHM C[C@@H]1CCC[C@H](NC(=O)CNCCC(=O)[O-])[C@@H]1C ZINC000035386595 172169189 /nfs/dbraw/zinc/16/91/89/172169189.db2.gz FZPXZOLUJSKDNG-MXWKQRLJSA-N -1 3 256.346 0.992 10 0 CCAEHM O=C([O-])CCCNCc1cc(=O)n2ncsc2n1 ZINC000035423248 172192081 /nfs/dbraw/zinc/19/20/81/172192081.db2.gz VDEQDBMVVMQFEG-UHFFFAOYSA-N -1 3 268.298 0.105 10 0 CCAEHM Cc1cc(C(=O)N2CCC[C@](O)(C(N)=O)C2)ccc1[O-] ZINC000285685664 196365318 /nfs/dbraw/zinc/36/53/18/196365318.db2.gz ZIWDQXJKAUULEA-CQSZACIVSA-N -1 3 278.308 0.153 10 0 CCAEHM COc1cc(OC)c(CNCC(=O)[O-])c(OC)c1 ZINC000037376703 173165728 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CCN(CCC(=O)[O-])C(=O)NC[C@@H]1CCCN(C)C1 ZINC000044560188 175204223 /nfs/dbraw/zinc/20/42/23/175204223.db2.gz ALZIIEWHQRODSW-NSHDSACASA-N -1 3 271.361 0.834 10 0 CCAEHM CCCn1c(CN)nnc1SCC(=O)[N-]C(=O)OC ZINC000071375277 176140588 /nfs/dbraw/zinc/14/05/88/176140588.db2.gz HSRYVAIRMNROCM-UHFFFAOYSA-N -1 3 287.345 0.122 10 0 CCAEHM O=C([O-])c1ccc(CNC2CCS(=O)(=O)CC2)o1 ZINC000071380680 176144967 /nfs/dbraw/zinc/14/49/67/176144967.db2.gz GNVUHBBFIRFNNM-UHFFFAOYSA-N -1 3 273.310 0.645 10 0 CCAEHM CCc1occc1C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000234205368 544867269 /nfs/dbraw/zinc/86/72/69/544867269.db2.gz XTWXZPLQZKHYCU-ZDUSSCGKSA-N -1 3 277.280 0.266 10 0 CCAEHM Cc1nc([C@@H](C)[N-]S(=O)(=O)c2cnnn2C)cs1 ZINC000330070466 545028975 /nfs/dbraw/zinc/02/89/75/545028975.db2.gz IDUFMXIOMVFUFE-ZCFIWIBFSA-N -1 3 287.370 0.620 10 0 CCAEHM Cc1cc(Cl)nc(N2CCNC[C@H]2C(=O)[O-])n1 ZINC000095068921 301293979 /nfs/dbraw/zinc/29/39/79/301293979.db2.gz YGTYABIFBPFDAM-ZETCQYMHSA-N -1 3 256.693 0.301 10 0 CCAEHM CC(C)[C@H](CN(C)C)NC(=O)N1CCC[C@@H]1C(=O)[O-] ZINC000049230420 519814284 /nfs/dbraw/zinc/81/42/84/519814284.db2.gz AXSGTXUNDOSWSS-WDEREUQCSA-N -1 3 271.361 0.831 10 0 CCAEHM CCN(CC(=O)NCC(F)(F)F)[C@@H](C)CC(=O)[O-] ZINC000061183485 520334018 /nfs/dbraw/zinc/33/40/18/520334018.db2.gz WFAKQZZURODQTG-ZETCQYMHSA-N -1 3 270.251 0.850 10 0 CCAEHM CCN1CCC[C@H](n2nnnc2SCC(=O)[O-])C1 ZINC000049222105 521651282 /nfs/dbraw/zinc/65/12/82/521651282.db2.gz NTQSOQFFVLJZJQ-QMMMGPOBSA-N -1 3 271.346 0.507 10 0 CCAEHM CCn1cc(CN2CCN(CCC(=O)[O-])CC2)cn1 ZINC000050541146 523371975 /nfs/dbraw/zinc/37/19/75/523371975.db2.gz FRRHNHJWDGYNDK-UHFFFAOYSA-N -1 3 266.345 0.495 10 0 CCAEHM CN(C(=O)NC[C@H]1CCCCN1C)C(C)(C)C(=O)[O-] ZINC000061176738 523872708 /nfs/dbraw/zinc/87/27/08/523872708.db2.gz PSNVLWVWSBLZJY-SNVBAGLBSA-N -1 3 271.361 0.975 10 0 CCAEHM C[C@@H](CN1CCCC1)n1nnnc1SCC(=O)[O-] ZINC000049185507 524595751 /nfs/dbraw/zinc/59/57/51/524595751.db2.gz GWLQRXOMFBNPGR-QMMMGPOBSA-N -1 3 271.346 0.507 10 0 CCAEHM 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GLDQLXQQIYAJQC-WCBMZHEXSA-N -1 3 269.322 0.968 10 0 CCAEHM Cc1ccc([C@@H](C)[N-]S(=O)(=O)c2cnc(N)nc2)o1 ZINC000050672091 525738315 /nfs/dbraw/zinc/73/83/15/525738315.db2.gz CGEBOCLYNNOBPE-MRVPVSSYSA-N -1 3 282.325 1.000 10 0 CCAEHM O=C(N[C@H]1CCc2ncnn2C1)c1ccc(O)cc1[O-] ZINC000182433641 527072624 /nfs/dbraw/zinc/07/26/24/527072624.db2.gz IPNNVRVXSXWLDQ-QMMMGPOBSA-N -1 3 274.280 0.434 10 0 CCAEHM O=C([O-])CC1C[C@H]2CC[C@@H](C1)N2[C@@H]1CCS(=O)(=O)C1 ZINC000062704190 527570206 /nfs/dbraw/zinc/57/02/06/527570206.db2.gz KDXBVVJJGUVSBP-FGNRJIRKSA-N -1 3 287.381 0.891 10 0 CCAEHM CC[C@H](C)[C@@H](N)C(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000040471255 571762608 /nfs/dbraw/zinc/76/26/08/571762608.db2.gz TUYOFUHICRWDGA-XHNCKOQMSA-N -1 3 262.375 0.682 10 0 endogenous,in-man CCAEHM CO[C@@H]1C[C@@H](CO)N(C(=O)/C=C\c2cncc([O-])c2)C1 ZINC000794613070 581379510 /nfs/dbraw/zinc/37/95/10/581379510.db2.gz OOHNUQYICHTFLP-FXWKMLGCSA-N -1 3 278.308 0.409 10 0 CCAEHM C[C@@H](CN(C)Cc1ccccc1)NC(=O)COCC(=O)[O-] ZINC000309880086 625359752 /nfs/dbraw/zinc/35/97/52/625359752.db2.gz JGUDUHQZJXZPJK-LBPRGKRZSA-N -1 3 294.351 0.724 10 0 CCAEHM Cc1nc(CC(=O)NCCCn2ccnc2)c(C)c(=O)[n-]1 ZINC000222936255 636889517 /nfs/dbraw/zinc/88/95/17/636889517.db2.gz IYTPAAKPWRSROP-UHFFFAOYSA-N -1 3 289.339 0.332 10 0 CCAEHM O=C([O-])[C@H]1CSCCN1CCN1CCCC1=O ZINC000692258896 976409827 /nfs/dbraw/zinc/40/98/27/976409827.db2.gz GXOOZTBFBGWGAT-SECBINFHSA-N -1 3 258.343 0.111 10 0 CCAEHM CC(C)[C@H]1CN(C(=O)[C@H](N)CCC(=O)[O-])CCO1 ZINC000708997401 977449823 /nfs/dbraw/zinc/44/98/23/977449823.db2.gz GUTGRLXQPTVDPV-NXEZZACHSA-N -1 3 258.318 0.062 10 0 CCAEHM C[C@H](O)[C@H]1CCCN(Cc2c(C(=O)[O-])cnn2C)C1 ZINC000689007752 954638415 /nfs/dbraw/zinc/63/84/15/954638415.db2.gz FJBVJKSNIUTVHE-UWVGGRQHSA-N -1 3 267.329 0.711 10 0 CCAEHM CN1CCCC[C@@H]1CNC(=O)C1(C(=O)[O-])CCOCC1 ZINC000689304868 954652790 /nfs/dbraw/zinc/65/27/90/954652790.db2.gz WKUCNYHLPIYLCN-LLVKDONJSA-N -1 3 284.356 0.468 10 0 CCAEHM CN1CCC[C@@H](NC(=O)N[C@H]2C[C@H](C(=O)[O-])C2)C1 ZINC000693028205 954721586 /nfs/dbraw/zinc/72/15/86/954721586.db2.gz GEHFGMVYFHGLAE-OPRDCNLKSA-N -1 3 255.318 0.243 10 0 CCAEHM COC[C@]1(C(=O)[O-])CCN(C[C@H](C)CS(C)(=O)=O)C1 ZINC000705591482 954937642 /nfs/dbraw/zinc/93/76/42/954937642.db2.gz QSLQQIQRMGHMEP-JQWIXIFHSA-N -1 3 293.385 0.090 10 0 CCAEHM CC[C@H](C(=O)[O-])N1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708839217 955004256 /nfs/dbraw/zinc/00/42/56/955004256.db2.gz LVHUOQJMRPMVCL-KXUCPTDWSA-N -1 3 261.343 0.501 10 0 CCAEHM Cc1cocc1C(=O)N(CCN(C)C)CC(=O)[O-] ZINC000704764764 969006803 /nfs/dbraw/zinc/00/68/03/969006803.db2.gz VHIJDNGLQIFVLF-UHFFFAOYSA-N -1 3 254.286 0.676 10 0 CCAEHM C[C@@H]1CCC[C@H](CNC(=O)[C@@H](N)CCC(=O)[O-])O1 ZINC000688946143 976196635 /nfs/dbraw/zinc/19/66/35/976196635.db2.gz JIFZIQVNOFSFPG-BBBLOLIVSA-N -1 3 258.318 0.252 10 0 CCAEHM CC(C)(C)N1CC[C@@H]1CNC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000690052606 976275007 /nfs/dbraw/zinc/27/50/07/976275007.db2.gz VYXBUQYJVKECMW-WDEREUQCSA-N -1 3 283.372 0.975 10 0 CCAEHM CN1CCC[C@H](NC(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C1 ZINC000693346790 976596812 /nfs/dbraw/zinc/59/68/12/976596812.db2.gz GEHFGMVYFHGLAE-LPEHRKFASA-N -1 3 255.318 0.243 10 0 CCAEHM COC[C@]1(C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)CCCCN1 ZINC000693362689 976604866 /nfs/dbraw/zinc/60/48/66/976604866.db2.gz OOOPHJHCWBBLST-CWSCBRNRSA-N -1 3 270.329 0.125 10 0 CCAEHM CO[C@@]1(C(=O)[O-])CCN(Cc2c(C)noc2C)C1 ZINC000703748732 977186230 /nfs/dbraw/zinc/18/62/30/977186230.db2.gz KAKLRJAHACSCET-LBPRGKRZSA-N -1 3 254.286 0.967 10 0 CCAEHM COc1ccccc1CN1CC[C@@](O)(C(=O)[O-])C1 ZINC000706482203 977341383 /nfs/dbraw/zinc/34/13/83/977341383.db2.gz DYSKBWTVYJSNOG-ZDUSSCGKSA-N -1 3 251.282 0.717 10 0 CCAEHM CC(C)[C@H]1CN(C(=O)[C@@H](N)CCC(=O)[O-])CCO1 ZINC000708997404 977449598 /nfs/dbraw/zinc/44/95/98/977449598.db2.gz GUTGRLXQPTVDPV-VHSXEESVSA-N -1 3 258.318 0.062 10 0 CCAEHM C[C@H](NC1CC1)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000710716997 977522382 /nfs/dbraw/zinc/52/23/82/977522382.db2.gz ODYQUDGMIBVXCX-QMMMGPOBSA-N -1 3 280.328 0.782 10 0 CCAEHM CN1CCC(NC(=O)c2csc(C(=O)[O-])n2)CC1 ZINC000721471807 978111048 /nfs/dbraw/zinc/11/10/48/978111048.db2.gz TWDMMNAYSBFAJY-UHFFFAOYSA-N -1 3 269.326 0.665 10 0 CCAEHM CCCN(CC(=O)[O-])Cc1cnc2n1CCOC2 ZINC000722859381 978168128 /nfs/dbraw/zinc/16/81/28/978168128.db2.gz CZOOHAYTSLVJFL-UHFFFAOYSA-N -1 3 253.302 0.710 10 0 CCAEHM O=C([O-])c1coc(CNC[C@@H]2C[C@@H]3COC[C@@H]3O2)c1 ZINC000724602953 978233121 /nfs/dbraw/zinc/23/31/21/978233121.db2.gz PQYJTUBUFPZHRB-ZHAHWJHGSA-N -1 3 267.281 0.871 10 0 CCAEHM Cn1ncc(C(=O)[O-])c1NC(=O)N[C@@H]1CCCN(C)C1 ZINC000725232582 978284075 /nfs/dbraw/zinc/28/40/75/978284075.db2.gz VICMRKRRFDBZCC-MRVPVSSYSA-N -1 3 281.316 0.334 10 0 CCAEHM CC(=O)N1C[C@@H](F)[C@@H](OCC(=O)Nc2ccccc2[O-])C1 ZINC000096111976 185101110 /nfs/dbraw/zinc/10/11/10/185101110.db2.gz CBTUMQOIBNRBNC-MFKMUULPSA-N -1 3 296.298 0.916 10 0 CCAEHM Cc1cc(C)nc(S(=O)(=O)[N-][C@@H]2CCCNC2)n1 ZINC000095068860 349585523 /nfs/dbraw/zinc/58/55/23/349585523.db2.gz MHGXAXGSZNLMEQ-SNVBAGLBSA-N -1 3 270.358 0.124 10 0 CCAEHM O=S(=O)([N-][C@@H]1CCCNC1)c1ncccc1Cl ZINC000095069792 349586047 /nfs/dbraw/zinc/58/60/47/349586047.db2.gz MYFQQGACTLYZCS-MRVPVSSYSA-N -1 3 275.761 0.765 10 0 CCAEHM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nccn2C)[n-]n1 ZINC000119807392 349954952 /nfs/dbraw/zinc/95/49/52/349954952.db2.gz JTQJDMGKRRVFSY-HTQZYQBOSA-N -1 3 289.295 0.558 10 0 CCAEHM COC(=O)[C@@H]1C[C@H]1C(=O)Nc1cc(-c2nccn2C)n[n-]1 ZINC000119807392 349954954 /nfs/dbraw/zinc/95/49/54/349954954.db2.gz JTQJDMGKRRVFSY-HTQZYQBOSA-N -1 3 289.295 0.558 10 0 CCAEHM O=S(=O)(c1ccc([O-])cc1)N1CC[C@@H](CCO)C1 ZINC000123830305 136822055 /nfs/dbraw/zinc/82/20/55/136822055.db2.gz NHUIDXQTWVKEHE-JTQLQIEISA-N -1 3 271.338 0.785 10 0 CCAEHM COC(=O)[C@H](CS)NC(=O)c1ccccc1[O-] ZINC000034084727 348148717 /nfs/dbraw/zinc/14/87/17/348148717.db2.gz WCXIHVFAMCFTBC-QMMMGPOBSA-N -1 3 255.295 0.593 10 0 CCAEHM CCOCCOC(=S)[N-]C[C@H]1CCS(=O)(=O)C1 ZINC000040166491 348230834 /nfs/dbraw/zinc/23/08/34/348230834.db2.gz NWICAIDQPNVYFA-SECBINFHSA-N -1 3 281.399 0.349 10 0 CCAEHM O=C(CC1CCCCC1)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000072290697 348920122 /nfs/dbraw/zinc/92/01/22/348920122.db2.gz JMDQNVQSCUHCAV-CQSZACIVSA-N -1 3 279.340 0.767 10 0 CCAEHM CCC[C@H](C)C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084795860 349327564 /nfs/dbraw/zinc/32/75/64/349327564.db2.gz HEIQNWDGNNHPHE-UFBFGSQYSA-N -1 3 253.302 0.233 10 0 CCAEHM CCCCCCC(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084796195 349328026 /nfs/dbraw/zinc/32/80/26/349328026.db2.gz VPLQBWSSWYAEEX-ZDUSSCGKSA-N -1 3 267.329 0.767 10 0 CCAEHM Cc1ccsc1C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000084795980 349328400 /nfs/dbraw/zinc/32/84/00/349328400.db2.gz XRANHZZRHHSXSW-GFCCVEGCSA-N -1 3 279.321 0.481 10 0 CCAEHM COc1ccc(C(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)cc1 ZINC000083856649 349311213 /nfs/dbraw/zinc/31/12/13/349311213.db2.gz SQLJTQFIUVSYNC-AWEZNQCLSA-N -1 3 289.291 0.119 10 0 CCAEHM Cc1cccc(CC(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000083856406 349311504 /nfs/dbraw/zinc/31/15/04/349311504.db2.gz KXOXWVNCVZPAPJ-OAHLLOKOSA-N -1 3 287.319 0.348 10 0 CCAEHM CCc1cnc(S(=O)(=O)Cc2nnc(C3CC3)n2C)[n-]1 ZINC000090989561 180081611 /nfs/dbraw/zinc/08/16/11/180081611.db2.gz PNCKGYOIZVQFRD-UHFFFAOYSA-N -1 3 295.368 0.952 10 0 CCAEHM CCc1c[n-]c(S(=O)(=O)Cc2nnc(C3CC3)n2C)n1 ZINC000090989561 180081612 /nfs/dbraw/zinc/08/16/12/180081612.db2.gz PNCKGYOIZVQFRD-UHFFFAOYSA-N -1 3 295.368 0.952 10 0 CCAEHM C[C@@H](C(F)(F)F)S(=O)(=O)[N-][C@H]1CCCNC1 ZINC000334969303 295811743 /nfs/dbraw/zinc/81/17/43/295811743.db2.gz CNYFUKASLSLLAR-BQBZGAKWSA-N -1 3 260.281 0.609 10 0 CCAEHM CC(C)C(=O)C[N-]S(=O)(=O)CC1CCOCC1 ZINC000185928828 351467054 /nfs/dbraw/zinc/46/70/54/351467054.db2.gz FEISNBMLOAZNTE-UHFFFAOYSA-N -1 3 263.359 0.558 10 0 CCAEHM Cc1cnc([C@@H](C)[N-]S(=O)(=O)c2c[nH]cn2)o1 ZINC000226556058 352029120 /nfs/dbraw/zinc/02/91/20/352029120.db2.gz FCORONYCIQWXBG-SSDOTTSWSA-N 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292.335 0.691 10 0 CCAEHM CC(=O)N1C[C@H](O)C[C@@H]1C(=O)Nc1cc(Cl)ccc1[O-] ZINC000189332417 351670684 /nfs/dbraw/zinc/67/06/84/351670684.db2.gz IHTYIFZLCPCJHB-MWLCHTKSSA-N -1 3 298.726 0.966 10 0 CCAEHM CC[C@H](O)CN1CCN([C@@H](C)c2nc(C)cc(=O)[n-]2)CC1 ZINC000192604859 351791384 /nfs/dbraw/zinc/79/13/84/351791384.db2.gz HDNWASIUASFVRQ-STQMWFEESA-N -1 3 294.399 0.940 10 0 CCAEHM Cn1cnc(S(=O)(=O)[N-][C@H]2CCCC[C@H]2CO)c1 ZINC000230150016 352104853 /nfs/dbraw/zinc/10/48/53/352104853.db2.gz HCGUUCRUTALFHD-UWVGGRQHSA-N -1 3 273.358 0.250 10 0 CCAEHM C[C@@H]1C(=O)NCCCN1C(=O)c1cc(F)cc2[n-]nnc21 ZINC000282265308 353408551 /nfs/dbraw/zinc/40/85/51/353408551.db2.gz PKCOZPNTHBQFBJ-SSDOTTSWSA-N -1 3 291.286 0.448 10 0 CCAEHM C[C@@H]1C(=O)NCCCN1C(=O)c1cc(F)cc2nn[n-]c21 ZINC000282265308 353408554 /nfs/dbraw/zinc/40/85/54/353408554.db2.gz PKCOZPNTHBQFBJ-SSDOTTSWSA-N -1 3 291.286 0.448 10 0 CCAEHM C[C@@H]1C(=O)NCCCN1C(=O)c1cc(F)cc2n[n-]nc21 ZINC000282265308 353408557 /nfs/dbraw/zinc/40/85/57/353408557.db2.gz PKCOZPNTHBQFBJ-SSDOTTSWSA-N -1 3 291.286 0.448 10 0 CCAEHM C[C@@H]1COC[C@H](C)N1C(=O)C[C@@H]1NC(=O)[N-]C1=O ZINC000328842292 202079231 /nfs/dbraw/zinc/07/92/31/202079231.db2.gz VUZMHGZQJQJFAZ-RNJXMRFFSA-N -1 3 255.274 0.265 10 0 CCAEHM NS(=O)(=O)c1ccc(OC(F)(F)F)c([O-])c1 ZINC000380654341 357705364 /nfs/dbraw/zinc/70/53/64/357705364.db2.gz SDWOKTJEIAUJMJ-UHFFFAOYSA-N -1 3 257.189 0.938 10 0 CCAEHM CCCN1C(=O)C[C@@H](N2CCCC[C@@H]2CC(=O)[O-])C1=O ZINC000103358759 283312714 /nfs/dbraw/zinc/31/27/14/283312714.db2.gz UUAUWUMXIRHUSF-GHMZBOCLSA-N -1 3 282.340 0.853 10 0 CCAEHM CC(C)[C@@H]1N(C(=O)CN2CC(=O)[N-]C2=O)C[C@]12CCCO2 ZINC000329351135 202296689 /nfs/dbraw/zinc/29/66/89/202296689.db2.gz XAUNJKOICPYSBO-GXTWGEPZSA-N -1 3 295.339 0.795 10 0 CCAEHM CCOC(=O)c1csc(=NC[C@H]2CC(=O)N(C)C2)[n-]1 ZINC000596486884 360907373 /nfs/dbraw/zinc/90/73/73/360907373.db2.gz BESXHOXVFPCQGT-MRVPVSSYSA-N -1 3 283.353 0.632 10 0 CCAEHM COc1nnc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)[n-]1 ZINC000179704522 189215107 /nfs/dbraw/zinc/21/51/07/189215107.db2.gz NIOAKZRODPMHSI-JTQLQIEISA-N -1 3 297.359 0.939 10 0 CCAEHM COc1nc(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)n[n-]1 ZINC000179704522 189215108 /nfs/dbraw/zinc/21/51/08/189215108.db2.gz NIOAKZRODPMHSI-JTQLQIEISA-N -1 3 297.359 0.939 10 0 CCAEHM COc1n[n-]c(NC(=O)[C@@H](NC(=O)CC(C)C)C(C)C)n1 ZINC000179704522 189215109 /nfs/dbraw/zinc/21/51/09/189215109.db2.gz NIOAKZRODPMHSI-JTQLQIEISA-N -1 3 297.359 0.939 10 0 CCAEHM C[C@H](C(=O)[O-])N(C)C(=O)[C@H](N)CN(C)Cc1ccccc1 ZINC000630570706 370176804 /nfs/dbraw/zinc/17/68/04/370176804.db2.gz DDORBONMVAKXFQ-DGCLKSJQSA-N -1 3 293.367 0.377 10 0 CCAEHM CN(C[C@H]1CN(C)CCO1)C(=O)c1cccc([O-])c1 ZINC000633931852 371819288 /nfs/dbraw/zinc/81/92/88/371819288.db2.gz OKWFOQOCDSIHCE-CYBMUJFWSA-N -1 3 264.325 0.795 10 0 CCAEHM O=S(=O)(c1ccc([O-])cc1)N1C[C@@H]2COC[C@H](C1)O2 ZINC000333386650 205276270 /nfs/dbraw/zinc/27/62/70/205276270.db2.gz CGVVMTXQLGQQKJ-PHIMTYICSA-N -1 3 285.321 0.181 10 0 CCAEHM C[C@H]1NC(=O)CC[C@@H]1NC(=O)c1c([O-])cccc1O ZINC000282646918 388756020 /nfs/dbraw/zinc/75/60/20/388756020.db2.gz UBBAXMIVFCQDDX-SFYZADRCSA-N -1 3 264.281 0.495 10 0 CCAEHM Cc1nc(S(=O)(=O)[N-][C@H]2CCCn3ncnc32)cn1C ZINC000176743308 389562667 /nfs/dbraw/zinc/56/26/67/389562667.db2.gz KJANXLFNQSXXGY-VIFPVBQESA-N -1 3 296.356 0.133 10 0 CCAEHM COc1ccc([O-])c(C(=O)N[C@@H]2CCC(=O)N[C@@H]2C)c1 ZINC000282074268 389654970 /nfs/dbraw/zinc/65/49/70/389654970.db2.gz LEXPTDKSQZPDLN-LDYMZIIASA-N -1 3 278.308 0.798 10 0 CCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000443511867 389881069 /nfs/dbraw/zinc/88/10/69/389881069.db2.gz UPGVZHAMPOLSGV-WPRPVWTQSA-N -1 3 299.352 0.759 10 0 CCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@@H]2CCC[C@@H]21 ZINC000443511867 389881071 /nfs/dbraw/zinc/88/10/71/389881071.db2.gz UPGVZHAMPOLSGV-WPRPVWTQSA-N -1 3 299.352 0.759 10 0 CCAEHM CCOC(=O)c1cn[n-]c1S(=O)(=O)N1C[C@H]2CCC[C@@H]21 ZINC000443511865 389881351 /nfs/dbraw/zinc/88/13/51/389881351.db2.gz UPGVZHAMPOLSGV-SCZZXKLOSA-N -1 3 299.352 0.759 10 0 CCAEHM CCOC(=O)c1c[n-]nc1S(=O)(=O)N1C[C@H]2CCC[C@@H]21 ZINC000443511865 389881352 /nfs/dbraw/zinc/88/13/52/389881352.db2.gz UPGVZHAMPOLSGV-SCZZXKLOSA-N -1 3 299.352 0.759 10 0 CCAEHM C[C@H]1CCCN1[C@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643873746 390590990 /nfs/dbraw/zinc/59/09/90/390590990.db2.gz GFAUEMKUNFPONO-QWRGUYRKSA-N -1 3 254.330 0.936 10 0 CCAEHM CN(C)S(=O)(=O)[N-]c1cccc(F)c1-c1nnc[nH]1 ZINC000373211689 144396668 /nfs/dbraw/zinc/39/66/68/144396668.db2.gz VZTXTFXWSHYUNK-UHFFFAOYSA-N -1 3 285.304 0.829 10 0 CCAEHM CC(C(=O)NC1CCCCC1)S(=O)(=O)CC(=O)[O-] ZINC000020421004 171186354 /nfs/dbraw/zinc/18/63/54/171186354.db2.gz RMCPUVNGIROMAR-QMMMGPOBSA-N -1 3 277.342 0.323 10 0 CCAEHM CCCCCNC(=O)C(C)S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000020421304 171186784 /nfs/dbraw/zinc/18/67/84/171186784.db2.gz PMNWJJZBRADMIC-DTWKUNHWSA-N -1 3 279.358 0.569 10 0 CCAEHM CCc1nnc(SCC(=O)[O-])n1CCN(C)C ZINC000020591452 171261399 /nfs/dbraw/zinc/26/13/99/171261399.db2.gz AHZJSPMMMRFOJD-UHFFFAOYSA-N -1 3 258.347 0.579 10 0 CCAEHM CN(C(=O)c1ccc([O-])cc1)[C@@H]1CCS(=O)(=O)C1 ZINC000035180467 172034382 /nfs/dbraw/zinc/03/43/82/172034382.db2.gz VTHGVGPWDUMXIM-SNVBAGLBSA-N -1 3 269.322 0.651 10 0 CCAEHM CC(C)C[C@@H]([N-]S(C)(=O)=O)C(=O)Nc1cn[nH]c1 ZINC000035247708 172078636 /nfs/dbraw/zinc/07/86/36/172078636.db2.gz CKDJQUVYDLNFPH-SECBINFHSA-N -1 3 274.346 0.312 10 0 CCAEHM CC(C)C[C@H]([N-]S(C)(=O)=O)C(=O)Nc1cn[nH]c1 ZINC000035247706 172078820 /nfs/dbraw/zinc/07/88/20/172078820.db2.gz CKDJQUVYDLNFPH-VIFPVBQESA-N -1 3 274.346 0.312 10 0 CCAEHM O=S(=O)([N-]C1CCC(O)CC1)c1cnc(Cl)nc1 ZINC000035357370 172148128 /nfs/dbraw/zinc/14/81/28/172148128.db2.gz JWMWNXFDPNZRFO-UHFFFAOYSA-N -1 3 291.760 0.712 10 0 CCAEHM C[C@@H](NCC(=O)Nc1cc(F)ccc1F)C(=O)[O-] ZINC000035388899 172171205 /nfs/dbraw/zinc/17/12/05/172171205.db2.gz DEHLWYLGLHZTGR-ZCFIWIBFSA-N -1 3 258.224 0.966 10 0 CCAEHM C[C@H]1CCC[C@@H]([N-]S(=O)(=O)c2cn(C)nc2N)C1 ZINC000037558950 173269331 /nfs/dbraw/zinc/26/93/31/173269331.db2.gz FNJFRXKTJGWDGJ-DTWKUNHWSA-N -1 3 272.374 0.859 10 0 CCAEHM Nc1n[nH]cc1S(=O)(=O)[N-]C1CCCCCC1 ZINC000037558775 173269336 /nfs/dbraw/zinc/26/93/36/173269336.db2.gz VFJOUKHTMBIJSQ-UHFFFAOYSA-N -1 3 258.347 0.993 10 0 CCAEHM CCOCCOC(=S)[N-][C@]1(C)CCS(=O)(=O)C1 ZINC000040166498 174198304 /nfs/dbraw/zinc/19/83/04/174198304.db2.gz JFMCMNIVLHJENX-SNVBAGLBSA-N -1 3 281.399 0.491 10 0 CCAEHM COC(=O)[C@@H](C)S(=O)(=O)[N-]c1cc(N)ccc1C ZINC000042536737 174783734 /nfs/dbraw/zinc/78/37/34/174783734.db2.gz RCOAYZDTQZAEQR-MRVPVSSYSA-N -1 3 272.326 0.880 10 0 CCAEHM C[C@H](c1[n-]nnc1C(=O)OC(C)(C)C)n1cncn1 ZINC000725266276 545886490 /nfs/dbraw/zinc/88/64/90/545886490.db2.gz CYVBQHSJEWWGFG-SSDOTTSWSA-N -1 3 264.289 0.961 10 0 CCAEHM C[C@H](c1nn[n-]c1C(=O)OC(C)(C)C)n1cncn1 ZINC000725266276 545886493 /nfs/dbraw/zinc/88/64/93/545886493.db2.gz CYVBQHSJEWWGFG-SSDOTTSWSA-N -1 3 264.289 0.961 10 0 CCAEHM C[C@H](c1n[n-]nc1C(=O)OC(C)(C)C)n1cncn1 ZINC000725266276 545886497 /nfs/dbraw/zinc/88/64/97/545886497.db2.gz CYVBQHSJEWWGFG-SSDOTTSWSA-N -1 3 264.289 0.961 10 0 CCAEHM Cc1ncc(S(=O)(=O)[N-]Cc2cn[nH]c2)s1 ZINC000235934933 544877296 /nfs/dbraw/zinc/87/72/96/544877296.db2.gz ISHDEOKQIUJYBT-UHFFFAOYSA-N -1 3 258.328 0.653 10 0 CCAEHM CC(C)C[C@H](C)C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000364043326 279085741 /nfs/dbraw/zinc/08/57/41/279085741.db2.gz RRNYSDBFPUTHBL-ZANVPECISA-N -1 3 267.329 0.479 10 0 CCAEHM CC1(C)CCC[C@H]1C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000228995174 281056129 /nfs/dbraw/zinc/05/61/29/281056129.db2.gz YSCXKAQLUKQSOS-XPTSAGLGSA-N -1 3 279.340 0.623 10 0 CCAEHM CN1CCO[C@H]2CCN(C(=O)c3ccccc3[O-])C[C@@H]21 ZINC000284455886 290113241 /nfs/dbraw/zinc/11/32/41/290113241.db2.gz KYOBOGFFUGTDMF-JSGCOSHPSA-N -1 3 276.336 0.937 10 0 CCAEHM COc1nc2ccccc2nc1N1CCNC[C@@H]1C(=O)[O-] ZINC000095071695 295454502 /nfs/dbraw/zinc/45/45/02/295454502.db2.gz PLQSJAXSYRMWNB-LLVKDONJSA-N -1 3 288.307 0.501 10 0 CCAEHM CC(C(=O)N1C[C@@H]2CCC[C@@]2(C(=O)[O-])C1)S(C)(=O)=O ZINC000262180368 298098318 /nfs/dbraw/zinc/09/83/18/298098318.db2.gz DRJKWEHIZLUSBO-VDDIYKPWSA-N -1 3 289.353 0.133 10 0 CCAEHM Cc1cc(=O)[n-]c([C@H](C)N2CCO[C@@H](CN(C)C)C2)n1 ZINC000248730228 301374020 /nfs/dbraw/zinc/37/40/20/301374020.db2.gz JELMVBAGAJGNMK-RYUDHWBXSA-N -1 3 280.372 0.814 10 0 CCAEHM CC(C)[C@H](CN(C)C)NC(=O)N[C@@H](C)CC(=O)[O-] ZINC000049230600 519814120 /nfs/dbraw/zinc/81/41/20/519814120.db2.gz WMXIUOCEOYFIQK-UWVGGRQHSA-N -1 3 259.350 0.735 10 0 CCAEHM CC(C)[C@H](NC(=O)[C@H](CN)c1ccccc1)C(=O)[O-] ZINC000061612419 519819708 /nfs/dbraw/zinc/81/97/08/519819708.db2.gz AOUAOHQYOJHAEO-NEPJUHHUSA-N -1 3 264.325 0.954 10 0 CCAEHM COCC[C@@H](N)C(=O)N[C@]1(C(=O)[O-])CCC[C@@H](C)C1 ZINC000052810016 521824953 /nfs/dbraw/zinc/82/49/53/521824953.db2.gz DGLLSOKWLBQEFF-GIPNMCIBSA-N -1 3 272.345 0.500 10 0 CCAEHM NC[C@H](C(=O)N[C@H](C(=O)[O-])C1CC1)c1ccccc1 ZINC000061613485 527223248 /nfs/dbraw/zinc/22/32/48/527223248.db2.gz NJICWOCZOPLHAO-RYUDHWBXSA-N -1 3 262.309 0.708 10 0 CCAEHM N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C(=O)[O-])C1CC1 ZINC000054523806 527337525 /nfs/dbraw/zinc/33/75/25/527337525.db2.gz HECOPLFOPOPZIA-NWDGAFQWSA-N -1 3 262.309 0.536 10 0 CCAEHM Cn1cc(CN2CCC[C@@H](CO)C2)c(C(=O)[O-])n1 ZINC000675080958 545321422 /nfs/dbraw/zinc/32/14/22/545321422.db2.gz YLKLWWSAPGCBAD-SECBINFHSA-N -1 3 253.302 0.323 10 0 CCAEHM CC[C@@H](C)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000040472546 571763247 /nfs/dbraw/zinc/76/32/47/571763247.db2.gz QJKMCQRFHJRIPU-JIMOISOXSA-N -1 3 294.351 0.878 10 0 endogenous,in-vitro CCAEHM CC[C@@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000034264741 574414191 /nfs/dbraw/zinc/41/41/91/574414191.db2.gz QJKMCQRFHJRIPU-WQAKAFBOSA-N -1 3 294.351 0.878 10 0 endogenous,in-man CCAEHM CN1CCC[C@H]1CNC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000225874933 636958717 /nfs/dbraw/zinc/95/87/17/636958717.db2.gz KOJMKDAYBQNWRL-WDEREUQCSA-N -1 3 269.345 0.729 10 0 CCAEHM CCN1CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])C2CC2)C1 ZINC000226492510 636985605 /nfs/dbraw/zinc/98/56/05/636985605.db2.gz MJTLEDPOGQXDJV-WDEREUQCSA-N -1 3 269.345 0.633 10 0 CCAEHM Cc1ccc(C(=O)N2CCOC[C@@H]2CO)c([O-])c1 ZINC000168203450 636995812 /nfs/dbraw/zinc/99/58/12/636995812.db2.gz HFGQQZGWZHEESY-JTQLQIEISA-N -1 3 251.282 0.534 10 0 CCAEHM CCN(C(=O)NCCCC(=O)[O-])[C@@H]1CCN(C)C1 ZINC000710503674 977511479 /nfs/dbraw/zinc/51/14/79/977511479.db2.gz OMHIVYBSIVQBMK-SNVBAGLBSA-N -1 3 257.334 0.587 10 0 CCAEHM C[C@@H]1CN(CC2CCS(=O)(=O)CC2)CC[C@H]1C(=O)[O-] ZINC000692299506 954696570 /nfs/dbraw/zinc/69/65/70/954696570.db2.gz PDNASHWZSILZSN-ZYHUDNBSSA-N -1 3 289.397 0.854 10 0 CCAEHM COC[C@]1(C(=O)[O-])CCN(Cc2cnc(C)cn2)C1 ZINC000693781128 954771015 /nfs/dbraw/zinc/77/10/15/954771015.db2.gz KWWUHFUAFVHANB-ZDUSSCGKSA-N -1 3 265.313 0.708 10 0 CCAEHM CN1CC[C@@H]2CC[C@H](C1)N2C(=O)CSCC(=O)[O-] ZINC000717845188 955148916 /nfs/dbraw/zinc/14/89/16/955148916.db2.gz IKCKBAJSEWQPFR-VHSXEESVSA-N -1 3 272.370 0.499 10 0 CCAEHM CC1(C)C[C@@H](O)CCN([C@H]2CCN(CC(=O)[O-])C2=O)C1 ZINC000694768398 968949730 /nfs/dbraw/zinc/94/97/30/968949730.db2.gz GWPNPQMUIOPSBJ-QWRGUYRKSA-N -1 3 284.356 0.155 10 0 CCAEHM C[C@H]1[C@@H](NC(=O)Nc2cccnc2C(=O)[O-])CCN1C ZINC000719482834 969104612 /nfs/dbraw/zinc/10/46/12/969104612.db2.gz KDYLQNWGJRLEFV-IUCAKERBSA-N -1 3 278.312 0.994 10 0 CCAEHM N[C@H](CC(F)F)C(=O)NC1(CC(=O)[O-])CCOCC1 ZINC000692063374 976400335 /nfs/dbraw/zinc/40/03/35/976400335.db2.gz SRTPJBUGSWAOSJ-SSDOTTSWSA-N -1 3 280.271 0.109 10 0 CCAEHM COC[C@@]1(C(=O)N(C)CCCC(=O)[O-])CCCCN1 ZINC000692176743 976404193 /nfs/dbraw/zinc/40/41/93/976404193.db2.gz BFSKKXDLFAMWSM-CYBMUJFWSA-N -1 3 272.345 0.468 10 0 CCAEHM CN(C(=O)N[C@H]1C[C@H](C(=O)[O-])C1)[C@@H]1CCCN(C)C1 ZINC000693035078 976573812 /nfs/dbraw/zinc/57/38/12/976573812.db2.gz XKAPDTFWNHTNQH-GMTAPVOTSA-N -1 3 269.345 0.585 10 0 CCAEHM CC(C)(CNC(=O)[C@H](N)CCC(=O)[O-])C(C)(F)F ZINC000697022487 976831126 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0.979 10 0 CCAEHM CC(C)[C@H](CNC(=O)[C@@]1(C)CCCCN1)C(=O)[O-] ZINC000133499993 411730141 /nfs/dbraw/zinc/73/01/41/411730141.db2.gz RCVSANKUGCXYLT-GXFFZTMASA-N -1 3 256.346 0.992 10 0 CCAEHM CCN(CC)C(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000020421193 171187354 /nfs/dbraw/zinc/18/73/54/171187354.db2.gz APYCRJDUPHQVHL-YUMQZZPRSA-N -1 3 265.331 0.131 10 0 CCAEHM CC(C(=O)NCc1ccco1)S(=O)(=O)CCC(=O)[O-] ZINC000020421558 171187924 /nfs/dbraw/zinc/18/79/24/171187924.db2.gz PHOYTCWKLVVQIW-MRVPVSSYSA-N -1 3 289.309 0.174 10 0 CCAEHM Cc1cccc([N-]S(=O)(=O)c2ccc[nH]c2=NN)n1 ZINC000035358260 172148648 /nfs/dbraw/zinc/14/86/48/172148648.db2.gz JPOMBPILGFLHDH-UHFFFAOYSA-N -1 3 279.325 0.293 10 0 CCAEHM O=C([O-])CCNCC(=O)NC(=O)NC1CCCCC1 ZINC000035386219 172167660 /nfs/dbraw/zinc/16/76/60/172167660.db2.gz ZLUYOEJSAPLMGJ-UHFFFAOYSA-N -1 3 271.317 0.209 10 0 CCAEHM Cc1nn(C)c(C)c1NC(=O)CNCCCC(=O)[O-] ZINC000035415681 172190535 /nfs/dbraw/zinc/19/05/35/172190535.db2.gz MZWWCBHIHGAGIM-UHFFFAOYSA-N -1 3 268.317 0.430 10 0 CCAEHM CC[C@@H](CO)[N-]S(=O)(=O)c1cc(N)ccc1F ZINC000035599310 172288097 /nfs/dbraw/zinc/28/80/97/172288097.db2.gz CHMXBOGMRSKCHZ-QMMMGPOBSA-N -1 3 262.306 0.457 10 0 CCAEHM CC(C)(CO)NC(=O)c1cccc(-c2nnn[n-]2)c1 ZINC000035608174 172293852 /nfs/dbraw/zinc/29/38/52/172293852.db2.gz XXWPDQXXKLQHQK-UHFFFAOYSA-N -1 3 261.285 0.367 10 0 CCAEHM CC(C)(CO)NC(=O)c1cccc(-c2nn[n-]n2)c1 ZINC000035608174 172293855 /nfs/dbraw/zinc/29/38/55/172293855.db2.gz XXWPDQXXKLQHQK-UHFFFAOYSA-N -1 3 261.285 0.367 10 0 CCAEHM CN1CCC(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])CC1 ZINC000035720600 172375528 /nfs/dbraw/zinc/37/55/28/172375528.db2.gz FDQQCPHABLZSRW-NWDGAFQWSA-N -1 3 266.341 0.864 10 0 CCAEHM C[C@@H]([N-]S(=O)(=O)c1ccc[nH]c1=NN)c1ccco1 ZINC000035739711 172393877 /nfs/dbraw/zinc/39/38/77/172393877.db2.gz FGRUAYHIZJQTJX-MRVPVSSYSA-N -1 3 282.325 1.000 10 0 CCAEHM CCn1cc(S(=O)(=O)[N-][C@@H](C)[C@H]2CCCO2)c(N)n1 ZINC000037559235 173269622 /nfs/dbraw/zinc/26/96/22/173269622.db2.gz 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265.331 0.179 10 0 CCAEHM CCC[C@@H](C)NC(=O)[C@@H](C)SC[C@H](N)C(=O)[O-] ZINC000035185143 172038408 /nfs/dbraw/zinc/03/84/08/172038408.db2.gz ILKKQPAEVWFVIN-HLTSFMKQSA-N -1 3 262.375 0.825 10 0 CCAEHM CC(C)CCNC(=O)[C@H](C)SC[C@@H](N)C(=O)[O-] ZINC000035185138 172039022 /nfs/dbraw/zinc/03/90/22/172039022.db2.gz GSWDEYAHAZTTDM-DTWKUNHWSA-N -1 3 262.375 0.682 10 0 CCAEHM CCOC(=O)C(NC(=O)c1ccc([O-])cc1)C(=O)OCC ZINC000035219437 172060662 /nfs/dbraw/zinc/06/06/62/172060662.db2.gz PGEVEKDTTADNET-UHFFFAOYSA-N -1 3 295.291 0.617 10 0 CCAEHM C[C@@H]([N-]S(=O)(=O)c1ccc[nH]c1=NN)[C@@H]1CCCO1 ZINC000035735237 172387480 /nfs/dbraw/zinc/38/74/80/172387480.db2.gz KHCJTTAJWGNSLU-BDAKNGLRSA-N -1 3 286.357 0.213 10 0 CCAEHM CCn1cc(S(=O)(=O)[N-][C@H](C)[C@@H]2CCCO2)c(N)n1 ZINC000037559233 173269408 /nfs/dbraw/zinc/26/94/08/173269408.db2.gz LJQAFLWDMGAPAI-BDAKNGLRSA-N -1 3 288.373 0.331 10 0 CCAEHM O=C1NCC[C@H]1[N-]c1nnc(C(F)(F)F)s1 ZINC000664132960 415251600 /nfs/dbraw/zinc/25/16/00/415251600.db2.gz CHYYRYVTWGRGAU-GSVOUGTGSA-N -1 3 252.221 0.857 10 0 CCAEHM CCN1CCC[C@H](NC(=O)NC[C@@H](C)C(=O)[O-])C1 ZINC000054336544 544442777 /nfs/dbraw/zinc/44/27/77/544442777.db2.gz HBQVCSBHQBHRKX-ZJUUUORDSA-N -1 3 257.334 0.491 10 0 CCAEHM O=C([O-])C1(CNC(=O)N2CCN3CCC[C@@H]3C2)CCC1 ZINC000166790631 544725530 /nfs/dbraw/zinc/72/55/30/544725530.db2.gz SYMIPAIYUOSRKV-LLVKDONJSA-N -1 3 281.356 0.731 10 0 CCAEHM CCN1CCO[C@@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000220242596 544816785 /nfs/dbraw/zinc/81/67/85/544816785.db2.gz XLDRGUCMWZZLHA-JTQLQIEISA-N -1 3 280.324 0.548 10 0 CCAEHM CC(C)[C@H](N)C(=O)NCC1CCC(C(=O)[O-])CC1 ZINC000002130357 280274345 /nfs/dbraw/zinc/27/43/45/280274345.db2.gz HCIRGBSRLDMWIV-ILDUYXDCSA-N -1 3 256.346 0.977 10 0 CCAEHM N[C@@H]1Cc2ccccc2N(C(=O)[C@@H]2C[C@H]2C(=O)[O-])C1 ZINC000389241928 545086808 /nfs/dbraw/zinc/08/68/08/545086808.db2.gz BSWHLDLJXZBVQM-GMTAPVOTSA-N -1 3 260.293 0.624 10 0 CCAEHM Nc1ncc(S(=O)(=O)[N-]C[C@@H]2CCCO2)s1 ZINC000396170702 545088425 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10 0 CCAEHM C[C@@H]1C[C@H](CN2CCO[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000724412270 969125110 /nfs/dbraw/zinc/12/51/10/969125110.db2.gz WMOLKPAJKRJITP-NOOOWODRSA-N -1 3 257.330 0.975 10 0 CCAEHM O=C([O-])[C@H](NC(=O)c1cc2c(s1)CCNC2)C1CC1 ZINC000687968522 976159569 /nfs/dbraw/zinc/15/95/69/976159569.db2.gz KMNVGKFTIKISON-LLVKDONJSA-N -1 3 280.349 0.987 10 0 CCAEHM O=C([O-])CSCCNC(=O)c1cccc2c1CNC2 ZINC000692816778 976549314 /nfs/dbraw/zinc/54/93/14/976549314.db2.gz FZRVMFXUZLDXSK-UHFFFAOYSA-N -1 3 280.349 0.837 10 0 CCAEHM O=C([O-])C1(CNC(=O)c2cccc3c2CNC3)CC1 ZINC000692864281 976551374 /nfs/dbraw/zinc/55/13/74/976551374.db2.gz SAWPWVNORROIOE-UHFFFAOYSA-N -1 3 260.293 0.884 10 0 CCAEHM N[C@H](Cc1ccccc1)C(=O)N[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693398123 976620416 /nfs/dbraw/zinc/62/04/16/976620416.db2.gz ONCSTVFDFHTYRS-GRYCIOLGSA-N -1 3 262.309 0.536 10 0 CCAEHM C[C@H]1CN(CCN2CCCS2(=O)=O)CC[C@H]1C(=O)[O-] ZINC000695041297 976772278 /nfs/dbraw/zinc/77/22/78/976772278.db2.gz MGIGIJCLKQOMKH-WDEREUQCSA-N -1 3 290.385 0.065 10 0 CCAEHM CC(C)(C(=O)[O-])n1cc(NC(=O)[C@H](N)C2CCC2)cn1 ZINC000698685097 976900337 /nfs/dbraw/zinc/90/03/37/976900337.db2.gz AZEHCARLSSZGNT-SNVBAGLBSA-N -1 3 280.328 0.769 10 0 CCAEHM CO[C@@]1(C(=O)[O-])CCN(Cc2c(C)n[nH]c2C)C1 ZINC000709036980 977450917 /nfs/dbraw/zinc/45/09/17/977450917.db2.gz ZOLJJBFRUYFOCH-LBPRGKRZSA-N -1 3 253.302 0.702 10 0 CCAEHM O=C([O-])Cc1csc(NC(=O)C23CCN(CC2)C3)n1 ZINC000715826537 977790671 /nfs/dbraw/zinc/79/06/71/977790671.db2.gz UEZHYFWVHYBILN-UHFFFAOYSA-N -1 3 281.337 0.805 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)NCC1C[C@H]2CC[C@@H](C1)S2 ZINC000716006074 977803535 /nfs/dbraw/zinc/80/35/35/977803535.db2.gz IJNUVRCHNMNLPW-HUAZRZQGSA-N -1 3 286.397 0.969 10 0 CCAEHM COC[C@](C)(CO)NCc1cc(C(=O)[O-])c(C)n1C ZINC000716940071 977865596 /nfs/dbraw/zinc/86/55/96/977865596.db2.gz CGGGSDHQVCTZTG-ZDUSSCGKSA-N -1 3 270.329 0.519 10 0 CCAEHM N[C@H](CC1CC1)C(=O)N[C@@H](Cc1cncs1)C(=O)[O-] ZINC000719092956 977993053 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CC(=O)NCCC[C@]1(c2cccs2)NC(=O)[N-]C1=O ZINC000004235084 347990903 /nfs/dbraw/zinc/99/09/03/347990903.db2.gz UVNZNYAKBKOOTP-GFCCVEGCSA-N -1 3 281.337 0.699 10 0 CCAEHM N[C@@H](CC(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000057957136 348619640 /nfs/dbraw/zinc/61/96/40/348619640.db2.gz CKMUVOUCPOPAAQ-QMMMGPOBSA-N -1 3 251.238 0.443 10 0 CCAEHM O=S(=O)(Cc1cn2ccccc2n1)c1ncn[n-]1 ZINC000090676895 180022286 /nfs/dbraw/zinc/02/22/86/180022286.db2.gz UKBMMSYLNDPGFW-UHFFFAOYSA-N -1 3 263.282 0.426 10 0 CCAEHM O=S(=O)(Cc1cn2ccccc2n1)c1nnc[n-]1 ZINC000090676895 180022288 /nfs/dbraw/zinc/02/22/88/180022288.db2.gz UKBMMSYLNDPGFW-UHFFFAOYSA-N -1 3 263.282 0.426 10 0 CCAEHM Cc1ccc(C(=O)N2CCOC[C@H]2C(N)=O)c([O-])c1 ZINC000126753314 350153497 /nfs/dbraw/zinc/15/34/97/350153497.db2.gz ZBCDGXBPBPFTDO-JTQLQIEISA-N -1 3 264.281 0.027 10 0 CCAEHM CN1CCO[C@@H](CNC(=O)c2cc(F)ccc2[O-])C1 ZINC000147679548 350469730 /nfs/dbraw/zinc/46/97/30/350469730.db2.gz MPVLKFRKGCOGFC-JTQLQIEISA-N -1 3 268.288 0.592 10 0 CCAEHM CN(C)[C@@H]1CCN(S(=O)(=O)c2ccc([O-])cc2)C1 ZINC000110432262 186295146 /nfs/dbraw/zinc/29/51/46/186295146.db2.gz QWTSFUKJMAWVNP-SNVBAGLBSA-N -1 3 270.354 0.717 10 0 CCAEHM Cc1ccc(C(=O)N2CCO[C@H](CO)C2)c([O-])c1 ZINC000168091442 350820456 /nfs/dbraw/zinc/82/04/56/350820456.db2.gz DJBZMEVNAUUHRY-JTQLQIEISA-N -1 3 251.282 0.534 10 0 CCAEHM O=C(c1cc([O-])ccc1Cl)N1CCO[C@H](CO)C1 ZINC000236509261 352195611 /nfs/dbraw/zinc/19/56/11/352195611.db2.gz HQNCNYNYQUARPX-VIFPVBQESA-N -1 3 271.700 0.879 10 0 CCAEHM N[C@H](C(=O)[O-])[C@H](O)c1cscc1Br ZINC000306835757 354177440 /nfs/dbraw/zinc/17/74/40/354177440.db2.gz RVISWEHJDSOAON-NTSWFWBYSA-N -1 3 266.116 0.956 10 0 CCAEHM COc1ccc([O-])c(C(=O)N2C[C@H]3OCCN(C)[C@@H]3C2)c1 ZINC000408080966 357908486 /nfs/dbraw/zinc/90/84/86/357908486.db2.gz TYNIYYJOWDYHGQ-TZMCWYRMSA-N -1 3 292.335 0.556 10 0 CCAEHM O=S(=O)([N-][C@@H]1CCc2ncnn2C1)c1cncc(F)c1 ZINC000329263998 202256648 /nfs/dbraw/zinc/25/66/48/202256648.db2.gz DQKYVLIOKRBUBQ-SECBINFHSA-N -1 3 297.315 0.106 10 0 CCAEHM C[C@H]1C[C@H](O)CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000401569225 291149436 /nfs/dbraw/zinc/14/94/36/291149436.db2.gz CZEZJKDUOWOZSH-WPRPVWTQSA-N -1 3 251.282 0.941 10 0 CCAEHM O=C(N[C@@H]1CCC[C@H](O)C1)c1ccc2n[n-]nc2c1 ZINC000614145260 364512556 /nfs/dbraw/zinc/51/25/56/364512556.db2.gz QTOYFOXDUHUVBS-ZJUUUORDSA-N -1 3 260.297 0.991 10 0 CCAEHM CC(C)(C)OC(=O)NCCN1CCOCC[C@@H]1C(=O)[O-] ZINC000616658999 365412682 /nfs/dbraw/zinc/41/26/82/365412682.db2.gz XJWDBDGTMRMANV-SNVBAGLBSA-N -1 3 288.344 0.687 10 0 CCAEHM O=S(=O)(Cc1ccccc1F)[N-][C@H]1CCOC[C@H]1O ZINC000625595272 368264527 /nfs/dbraw/zinc/26/45/27/368264527.db2.gz XHOXOQXLBAQJJI-NWDGAFQWSA-N -1 3 289.328 0.395 10 0 CCAEHM O=S(=O)([N-][C@H]1CCOC[C@H]1O)c1cccs1 ZINC000625598253 368265943 /nfs/dbraw/zinc/26/59/43/368265943.db2.gz RHXORWAGKROHMB-JGVFFNPUSA-N -1 3 263.340 0.176 10 0 CCAEHM CCC[C@@H](NC(=O)[C@@]1(COC)CCCCN1)C(=O)[O-] ZINC000630571182 370176610 /nfs/dbraw/zinc/17/66/10/370176610.db2.gz 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ZINC000179463315 351268270 /nfs/dbraw/zinc/26/82/70/351268270.db2.gz CTNSAXUOCUPYGV-IBUXWKBASA-N -1 3 277.324 0.247 10 0 CCAEHM C[C@H](CNC(=O)c1cccc([O-])c1)N1CCOCC1 ZINC000181949578 351341701 /nfs/dbraw/zinc/34/17/01/351341701.db2.gz JUVWHOKCJDVBGC-LLVKDONJSA-N -1 3 264.325 0.843 10 0 CCAEHM Cc1cnc([C@H](C)[N-]S(=O)(=O)c2c[nH]cn2)o1 ZINC000226556064 352028928 /nfs/dbraw/zinc/02/89/28/352028928.db2.gz FCORONYCIQWXBG-ZETCQYMHSA-N -1 3 256.287 0.746 10 0 CCAEHM O=C(c1cc(F)cc2[n-]nnc21)N1CC[C@H](CCO)C1 ZINC000328660882 354247357 /nfs/dbraw/zinc/24/73/57/354247357.db2.gz WDIQVTCRRPBVKF-MRVPVSSYSA-N -1 3 278.287 0.942 10 0 CCAEHM O=C(c1cc(F)cc2nn[n-]c21)N1CC[C@H](CCO)C1 ZINC000328660882 354247358 /nfs/dbraw/zinc/24/73/58/354247358.db2.gz WDIQVTCRRPBVKF-MRVPVSSYSA-N -1 3 278.287 0.942 10 0 CCAEHM O=C(c1cc(F)cc2n[n-]nc21)N1CC[C@H](CCO)C1 ZINC000328660882 354247359 /nfs/dbraw/zinc/24/73/59/354247359.db2.gz WDIQVTCRRPBVKF-MRVPVSSYSA-N -1 3 278.287 0.942 10 0 CCAEHM CCn1cc(S(=O)(=O)[N-][C@@H]2CCO[C@@H]2C)nc1C ZINC000330206821 354306220 /nfs/dbraw/zinc/30/62/20/354306220.db2.gz FNBSOMAEYSGSBM-PSASIEDQSA-N -1 3 273.358 0.667 10 0 CCAEHM CCc1[n-][nH]c(=NC(=O)[C@H]2CC(=O)N[C@H](C)C2)c1C ZINC000408207524 357971325 /nfs/dbraw/zinc/97/13/25/357971325.db2.gz HYJBJCXWVZWACW-VXNVDRBHSA-N -1 3 264.329 0.556 10 0 CCAEHM O=S(=O)([N-]C[C@H](O)C(F)(F)F)NC1CCCC1 ZINC000408207810 357971462 /nfs/dbraw/zinc/97/14/62/357971462.db2.gz UKDHKOJHRHLPGV-ZETCQYMHSA-N -1 3 276.280 0.276 10 0 CCAEHM O=C([C@H]1CCCC12CC2)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000625725836 368306668 /nfs/dbraw/zinc/30/66/68/368306668.db2.gz YMDZHVDLOSSYCV-YMTOWFKASA-N -1 3 277.324 0.377 10 0 CCAEHM O=C(N[C@H]1CCOC[C@@H]1O)c1cc([O-])ccc1Cl ZINC000629239704 369600060 /nfs/dbraw/zinc/60/00/60/369600060.db2.gz UVNQNAIPOPODIT-QWRGUYRKSA-N -1 3 271.700 0.925 10 0 CCAEHM COC[C@@]1(C(=O)[O-])CCCN1CCOC1CCOCC1 ZINC000629363450 369646049 /nfs/dbraw/zinc/64/60/49/369646049.db2.gz IHSNUHURUKIOPX-CQSZACIVSA-N -1 3 287.356 0.748 10 0 CCAEHM CCCC[C@@H](NC(=O)[C@]1(COC)CCCCN1)C(=O)[O-] ZINC000630570798 370176992 /nfs/dbraw/zinc/17/69/92/370176992.db2.gz FTLKYGWHYOWPHD-BXUZGUMPSA-N -1 3 286.372 0.905 10 0 CCAEHM CN(C[C@H]1CN(C)CCO1)C(=O)c1c([O-])cccc1O ZINC000640863498 376577428 /nfs/dbraw/zinc/57/74/28/376577428.db2.gz AKMGVSAWPKPKND-SNVBAGLBSA-N -1 3 280.324 0.500 10 0 CCAEHM O=C(c1c([O-])cccc1O)N1CC[C@H](CCO)C1 ZINC000220258786 389139608 /nfs/dbraw/zinc/13/96/08/389139608.db2.gz LUSMCVLYTQWGQT-SECBINFHSA-N -1 3 251.282 0.942 10 0 CCAEHM Nn1cnnc1SCC(=O)Nc1ccccc1[O-] ZINC000005605686 170118934 /nfs/dbraw/zinc/11/89/34/170118934.db2.gz QYLDQAYDEXLPMJ-UHFFFAOYSA-N -1 3 265.298 0.428 10 0 CCAEHM CC[C@H](C)NC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000020421319 171186855 /nfs/dbraw/zinc/18/68/55/171186855.db2.gz BCIQNDWOGAOVGX-FXQIFTODSA-N -1 3 265.331 0.178 10 0 CCAEHM CCC[C@H](C)NC(=O)C(C)S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000020421206 171187290 /nfs/dbraw/zinc/18/72/90/171187290.db2.gz QENANJCTHZFXKE-YIZRAAEISA-N -1 3 279.358 0.568 10 0 CCAEHM CC(C)[C@@H](N)C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000027744158 171531157 /nfs/dbraw/zinc/53/11/57/171531157.db2.gz MGXZWEUHMYIDTO-MNOVXSKESA-N -1 3 250.298 0.912 10 0 CCAEHM COC(=O)c1ccc(NC(=O)c2c[nH]c(=O)[n-]c2=O)cc1 ZINC000035152584 172014839 /nfs/dbraw/zinc/01/48/39/172014839.db2.gz YYUVREMBPCYGNZ-UHFFFAOYSA-N -1 3 289.247 0.102 10 0 CCAEHM CCC(CC)NC(=O)[C@@H](C)SC[C@@H](N)C(=O)[O-] ZINC000035185141 172038775 /nfs/dbraw/zinc/03/87/75/172038775.db2.gz ZYUMIQVEPPVSDT-VXNVDRBHSA-N -1 3 262.375 0.825 10 0 CCAEHM C[C@@H](C(=O)N1CCCC1)N1CCC[C@H](C(=O)[O-])C1 ZINC000035296534 172108549 /nfs/dbraw/zinc/10/85/49/172108549.db2.gz RVKUGWFROAEMEJ-QWRGUYRKSA-N -1 3 254.330 0.794 10 0 CCAEHM COc1ccc(Cl)cc1NC(=O)CNCC(=O)[O-] ZINC000035385069 172167434 /nfs/dbraw/zinc/16/74/34/172167434.db2.gz JBPLFDPITIUSFP-UHFFFAOYSA-N -1 3 272.688 0.961 10 0 CCAEHM Cc1ccc2nc(CNCCC(=O)[O-])cc(=O)n2c1 ZINC000035386251 172167815 /nfs/dbraw/zinc/16/78/15/172167815.db2.gz DTIALGFRKKQKOM-UHFFFAOYSA-N -1 3 261.281 0.567 10 0 CCAEHM C[C@@H](O)C[N-]S(=O)(=O)c1cc(N)cc(Cl)c1F ZINC000035599580 172288450 /nfs/dbraw/zinc/28/84/50/172288450.db2.gz QRWGGTZERNICQB-RXMQYKEDSA-N -1 3 282.724 0.720 10 0 CCAEHM O=c1nc(CNC[C@@H]2COCCO2)[n-]c2ccsc21 ZINC000038061882 174073357 /nfs/dbraw/zinc/07/33/57/174073357.db2.gz YIJQDJLJACXEFR-MRVPVSSYSA-N -1 3 281.337 0.902 10 0 CCAEHM Cc1cnc(C)c(NCc2nc(CN)cc(=O)[n-]2)n1 ZINC000663277468 415034916 /nfs/dbraw/zinc/03/49/16/415034916.db2.gz QBSXLARIZZVAGL-UHFFFAOYSA-N -1 3 260.301 0.660 10 0 CCAEHM CN(CCCC(=O)[O-])C(=O)NC[C@H]1CCCN(C)C1 ZINC000044560088 175204303 /nfs/dbraw/zinc/20/43/03/175204303.db2.gz CYSZPNMOCLSXCR-LLVKDONJSA-N -1 3 271.361 0.834 10 0 CCAEHM C[C@H](CO)N[C@@H]1CCCCn2nc(C(=O)[O-])cc21 ZINC000725273067 545889695 /nfs/dbraw/zinc/88/96/95/545889695.db2.gz QBOILQXSAKJFIL-RKDXNWHRSA-N -1 3 253.302 0.777 10 0 CCAEHM CC[C@@H](C)CC(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000167554831 544727623 /nfs/dbraw/zinc/72/76/23/544727623.db2.gz WDKDXIMTZAZGBL-PELKAZGASA-N -1 3 253.302 0.233 10 0 CCAEHM CCN1CCC[C@H](NC(=O)NC[C@H](C)C(=O)[O-])C1 ZINC000250238616 544921837 /nfs/dbraw/zinc/92/18/37/544921837.db2.gz HBQVCSBHQBHRKX-UWVGGRQHSA-N -1 3 257.334 0.491 10 0 CCAEHM CN(C)CCN(CC(=O)[O-])C(=O)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000300307999 544979537 /nfs/dbraw/zinc/97/95/37/544979537.db2.gz LAZFSGDXHZDWGV-JGPRNRPPSA-N -1 3 254.330 0.507 10 0 CCAEHM CCN(CC(=O)[O-])C(=O)NCCN1CCCCC1 ZINC000049575788 520375258 /nfs/dbraw/zinc/37/52/58/520375258.db2.gz ASBXFWSCIOWQLP-UHFFFAOYSA-N -1 3 257.334 0.588 10 0 CCAEHM CC[C@@H](NC(=O)N[C@H]1CCCN(CC)C1)C(=O)[O-] ZINC000049227774 522743956 /nfs/dbraw/zinc/74/39/56/522743956.db2.gz TWZKXPWQDWPLND-VHSXEESVSA-N -1 3 257.334 0.633 10 0 CCAEHM COc1ccc(C(=O)N2CCCN(CC(=O)[O-])CC2)cc1 ZINC000061125841 523632947 /nfs/dbraw/zinc/63/29/47/523632947.db2.gz HJXVCTUXFISCPB-UHFFFAOYSA-N -1 3 292.335 0.928 10 0 CCAEHM C[C@H](CN1CCCC1)NS(=O)(=O)CCCC(=O)[O-] ZINC000049159174 524316623 /nfs/dbraw/zinc/31/66/23/524316623.db2.gz WZAGUJWCQYKLTG-SNVBAGLBSA-N -1 3 278.374 0.255 10 0 CCAEHM CC[C@@H](C)[C@@H](NC(=O)[C@H](N)CCSC)C(=O)[O-] ZINC000036092735 574414345 /nfs/dbraw/zinc/41/43/45/574414345.db2.gz OGGRSJFVXREKOR-IWSPIJDZSA-N -1 3 262.375 0.682 10 0 endogenous,in-man CCAEHM O=C(N[C@@H]1CCCC[C@@H]1O)c1cccc2nn[n-]c21 ZINC000188561360 581986056 /nfs/dbraw/zinc/98/60/56/581986056.db2.gz HQYJHXGXGSKVDS-KOLCDFICSA-N -1 3 260.297 0.991 10 0 CCAEHM O=C(N[C@@H]1CCCC[C@@H]1O)c1cccc2[n-]nnc21 ZINC000188561360 581986059 /nfs/dbraw/zinc/98/60/59/581986059.db2.gz HQYJHXGXGSKVDS-KOLCDFICSA-N -1 3 260.297 0.991 10 0 CCAEHM O=C(N[C@@H]1CCCC[C@@H]1O)c1cccc2n[n-]nc21 ZINC000188561360 581986062 /nfs/dbraw/zinc/98/60/62/581986062.db2.gz HQYJHXGXGSKVDS-KOLCDFICSA-N -1 3 260.297 0.991 10 0 CCAEHM COC(=O)[C@@H]1CN(C(=O)c2c([O-])cccc2O)C[C@@H]1C ZINC000220253157 616381868 /nfs/dbraw/zinc/38/18/68/616381868.db2.gz KPBHGVYVGIVDJL-DTWKUNHWSA-N -1 3 279.292 0.979 10 0 CCAEHM CC(C)N(CC(=O)[O-])C(=O)NC[C@@H]1CCCN1C ZINC000225883190 636959658 /nfs/dbraw/zinc/95/96/58/636959658.db2.gz GHWDZVZXNNMGKU-JTQLQIEISA-N -1 3 257.334 0.585 10 0 CCAEHM CCNS(=O)(=O)CCNCc1ccc(C(=O)[O-])s1 ZINC000706236418 954945545 /nfs/dbraw/zinc/94/55/45/954945545.db2.gz VCQIYJYNICTDAN-UHFFFAOYSA-N -1 3 292.382 0.475 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)N2CC[C@](C)(C(=O)[O-])C2)CCN1C ZINC000719470083 955168977 /nfs/dbraw/zinc/16/89/77/955168977.db2.gz MXTFEDGHQBESAG-NRUUGDAUSA-N -1 3 269.345 0.585 10 0 CCAEHM CN1CCC[C@@H]2[C@H]1CCN2C(=O)C1(C(=O)[O-])CC1 ZINC000720887685 969111592 /nfs/dbraw/zinc/11/15/92/969111592.db2.gz LSVZFWXMINSMPL-NXEZZACHSA-N -1 3 252.314 0.546 10 0 CCAEHM NC(=O)C[C@@H]1CCN(Cc2oncc2C(=O)[O-])C1 ZINC000690772675 976332523 /nfs/dbraw/zinc/33/25/23/976332523.db2.gz SAJZHQDNFNQJOY-ZETCQYMHSA-N -1 3 253.258 0.070 10 0 CCAEHM COCCNCC(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000694958770 976756762 /nfs/dbraw/zinc/75/67/62/976756762.db2.gz XBEGNDCDXSSUNM-UHFFFAOYSA-N -1 3 280.324 0.579 10 0 CCAEHM O=C([O-])C1=CC[C@@H](NC(=O)NCCN2CCCCC2)C1 ZINC000694969932 976760868 /nfs/dbraw/zinc/76/08/68/976760868.db2.gz KASYGHKYGWFEBR-GFCCVEGCSA-N -1 3 281.356 0.945 10 0 CCAEHM O=C([O-])C[C@@H]1CCCN1CC[C@@H]1CCS(=O)(=O)C1 ZINC000696809296 976826228 /nfs/dbraw/zinc/82/62/28/976826228.db2.gz GTEYKYQOFPHVGY-MNOVXSKESA-N -1 3 275.370 0.750 10 0 CCAEHM CCc1noc(C)c1CN1C[C@H](C(=O)[O-])C[C@H](O)C1 ZINC000700772522 976971392 /nfs/dbraw/zinc/97/13/92/976971392.db2.gz BGQRZBUPLXRUJV-ZJUUUORDSA-N -1 3 268.313 0.813 10 0 CCAEHM CO[C@]1(C(=O)[O-])CCN(C[C@@](C)(O)C(F)(F)F)C1 ZINC000703757650 977189730 /nfs/dbraw/zinc/18/97/30/977189730.db2.gz HJCOHAYMZBRJCP-RKDXNWHRSA-N -1 3 271.235 0.475 10 0 CCAEHM NC(C(=O)N1CCC(C(=O)[O-])CC1)C(F)(F)F ZINC000705509962 977280844 /nfs/dbraw/zinc/28/08/44/977280844.db2.gz AYNUVMBOTBFZTE-LURJTMIESA-N -1 3 254.208 0.199 10 0 CCAEHM CCN(C(=O)[C@H]1CC[C@@H](C(=O)[O-])O1)[C@H]1CCN(CC)C1 ZINC000710024438 977474680 /nfs/dbraw/zinc/47/46/80/977474680.db2.gz RQIKXQHJCMXPSY-TUAOUCFPSA-N -1 3 284.356 0.561 10 0 CCAEHM Cc1nnsc1CNC[C@@H]1[C@@H](C(=O)[O-])C1(F)F ZINC000715281943 977723345 /nfs/dbraw/zinc/72/33/45/977723345.db2.gz GQROAUYCMDYAKO-VDTYLAMSSA-N -1 3 263.269 0.902 10 0 CCAEHM Cc1cc(CN2C[C@H]3COCC[C@@]3(C(=O)[O-])C2)nn1C ZINC000715765382 977781657 /nfs/dbraw/zinc/78/16/57/977781657.db2.gz KDPHTGNZADESPZ-SMDDNHRTSA-N -1 3 279.340 0.652 10 0 CCAEHM Cc1cc(CNC[C@H]2CCO[C@H]2C(=O)[O-])nn1C ZINC000716237503 977822825 /nfs/dbraw/zinc/82/28/25/977822825.db2.gz YDTWUFUCICRFTE-MWLCHTKSSA-N -1 3 253.302 0.308 10 0 CCAEHM COC[C@](C)(CO)NCc1csc(C(=O)[O-])c1 ZINC000716827132 977858131 /nfs/dbraw/zinc/85/81/31/977858131.db2.gz DKDVQAXWYGFBPL-NSHDSACASA-N -1 3 259.327 0.933 10 0 CCAEHM CN(C(=O)NC1CC(CC(=O)[O-])C1)[C@@H]1CCCN(C)C1 ZINC000718128707 977956326 /nfs/dbraw/zinc/95/63/26/977956326.db2.gz LUTOBJNTGPKMHW-HTAVTVPLSA-N -1 3 283.372 0.975 10 0 CCAEHM CN(C)C[C@H](N)C(=O)N[C@H](CC(=O)[O-])C1CCCC1 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ZINC000037436459 348188756 /nfs/dbraw/zinc/18/87/56/348188756.db2.gz LHINWKMGGQFLIB-UHFFFAOYSA-N -1 3 286.176 0.606 10 0 CCAEHM CN(C)CCN(C)C(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-] ZINC000104200734 185928235 /nfs/dbraw/zinc/92/82/35/185928235.db2.gz KYKHPMZOGUZVCV-MNOVXSKESA-N -1 3 254.330 0.673 10 0 CCAEHM CCCSc1ncc(CN2CC[C@](N)(C(=O)[O-])C2)cn1 ZINC000067674787 348781267 /nfs/dbraw/zinc/78/12/67/348781267.db2.gz GAZQKTFBGLQAEB-CYBMUJFWSA-N -1 3 296.396 0.967 10 0 CCAEHM Cc1ccsc1C(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084795982 349328219 /nfs/dbraw/zinc/32/82/19/349328219.db2.gz XRANHZZRHHSXSW-LBPRGKRZSA-N -1 3 279.321 0.481 10 0 CCAEHM NC(=O)CO[N-]C(=O)[C@H]1C[C@H]1c1ccc(F)c(F)c1 ZINC000089462136 349388728 /nfs/dbraw/zinc/38/87/28/349388728.db2.gz KVCVSMNAQZMLQQ-YUMQZZPRSA-N -1 3 270.235 0.601 10 0 CCAEHM CCOC(=O)C(NC(C)=O)=C([O-])CBr ZINC000135775716 350407996 /nfs/dbraw/zinc/40/79/96/350407996.db2.gz NPXVIWBIMSMBKA-ZETCQYMHSA-N -1 3 266.091 0.018 10 0 CCAEHM Brc1cnc(=NN2CCOCC2)[n-]c1 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265.313 0.521 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCCC(F)(F)CC1 ZINC000702796377 977125980 /nfs/dbraw/zinc/12/59/80/977125980.db2.gz GKPYMBBLNWUEST-MRVPVSSYSA-N -1 3 264.272 0.826 10 0 CCAEHM CC(C)CC[C@@H](N)C(=O)N[C@]1(C(=O)[O-])CCOC1 ZINC000704447006 977235054 /nfs/dbraw/zinc/23/50/54/977235054.db2.gz UCWMRYMWTGRIGJ-BXKDBHETSA-N -1 3 258.318 0.110 10 0 CCAEHM CN(C)C[C@H](N)C(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000705439764 977278646 /nfs/dbraw/zinc/27/86/46/977278646.db2.gz OTOSLVCSYWJWCE-MNOVXSKESA-N -1 3 285.388 0.225 10 0 CCAEHM C[C@H]1CN(CCCS(C)(=O)=O)C[C@]1(C)C(=O)[O-] ZINC000710141392 977485085 /nfs/dbraw/zinc/48/50/85/977485085.db2.gz HFGQHEBAHSDMPP-ONGXEEELSA-N -1 3 263.359 0.464 10 0 CCAEHM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cccc2c1CNC2 ZINC000714809203 977679549 /nfs/dbraw/zinc/67/95/49/977679549.db2.gz IQNOSDGCAWBCBD-MWLCHTKSSA-N -1 3 260.293 0.740 10 0 CCAEHM O=C([O-])[C@@H]1C[C@@H]1CNC(=O)c1cc2c(s1)CCNC2 ZINC000714813355 977680436 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CCO[C@H](CN1CCN(C(C)(C)C)CC1)C(=O)[O-] ZINC000062755451 520519580 /nfs/dbraw/zinc/51/95/80/520519580.db2.gz KPUGAMWGPGEREI-LLVKDONJSA-N -1 3 258.362 0.892 10 0 CCAEHM CCN(CC(=O)NCc1ccco1)C[C@H](C)C(=O)[O-] ZINC000061221197 520341162 /nfs/dbraw/zinc/34/11/62/520341162.db2.gz FNIQOCPRVREVCJ-JTQLQIEISA-N -1 3 268.313 0.938 10 0 CCAEHM CCNC(=O)[C@H](C)NS(=O)(=O)c1ccc([O-])cc1 ZINC000049227468 521745629 /nfs/dbraw/zinc/74/56/29/521745629.db2.gz FFPPYSYANPTDAD-QMMMGPOBSA-N -1 3 272.326 0.195 10 0 CCAEHM CC[C@H](C)[C@H](NC(=O)[C@H](N)Cc1ccc(O)cc1)C(=O)[O-] ZINC000034264742 574414217 /nfs/dbraw/zinc/41/42/17/574414217.db2.gz QJKMCQRFHJRIPU-BIMULSAOSA-N -1 3 294.351 0.878 10 0 endogenous,in-man CCAEHM CC[C@H](C)[C@H](N)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)[O-] ZINC000040471711 574414757 /nfs/dbraw/zinc/41/47/57/574414757.db2.gz MUFXDFWAJSPHIQ-BIMULSAOSA-N -1 3 294.351 0.878 10 0 endogenous,in-vitro CCAEHM Nc1nc(N2CCOCC2)[n-]c(=O)c1-c1ccncc1 ZINC000757180211 581697690 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JIFZIQVNOFSFPG-UTLUCORTSA-N -1 3 258.318 0.252 10 0 CCAEHM CN1CCCN(C(=O)NC[C@H](CC(=O)[O-])C2CC2)CC1 ZINC000690485279 976307031 /nfs/dbraw/zinc/30/70/31/976307031.db2.gz ZEJSWDZWZQMJJB-LBPRGKRZSA-N -1 3 283.372 0.834 10 0 CCAEHM CSCC[C@H](N)C(=O)NC[C@@H](CC(=O)[O-])C1CC1 ZINC000690493559 976308127 /nfs/dbraw/zinc/30/81/27/976308127.db2.gz XWDGZGJSELARRC-ZJUUUORDSA-N -1 3 274.386 0.684 10 0 CCAEHM C/C(=C\CNC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000692461291 976491056 /nfs/dbraw/zinc/49/10/56/976491056.db2.gz NEQKGLXBVYAVKD-NAZIUFLLSA-N -1 3 255.318 0.411 10 0 CCAEHM C/C(=C/CNC(=O)N[C@@H]1CCCN(C)C1)C(=O)[O-] ZINC000692461289 976491470 /nfs/dbraw/zinc/49/14/70/976491470.db2.gz NEQKGLXBVYAVKD-HYHWUIIZSA-N -1 3 255.318 0.411 10 0 CCAEHM CSCC[C@@H](N)C(=O)N(C)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693004583 976561354 /nfs/dbraw/zinc/56/13/54/976561354.db2.gz RIBHPXXJVMBJIB-HRDYMLBCSA-N -1 3 260.359 0.388 10 0 CCAEHM N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CC=C(C(=O)[O-])C1 ZINC000694872857 976728502 /nfs/dbraw/zinc/72/85/02/976728502.db2.gz BOIVFUNWHKIJSW-OLZOCXBDSA-N -1 3 274.320 0.846 10 0 CCAEHM C[C@@]1(CO)C[C@H](O)CN1Cc1ccc(C(=O)[O-])c(F)c1 ZINC000698138221 976880289 /nfs/dbraw/zinc/88/02/89/976880289.db2.gz PABKOVVTZYPUCL-HZMBPMFUSA-N -1 3 283.299 0.842 10 0 CCAEHM CO[C@@]1(C(=O)[O-])CCN(CCn2c(C)csc2=O)C1 ZINC000700226702 976937699 /nfs/dbraw/zinc/93/76/99/976937699.db2.gz BKCKXZNBAZARKV-LBPRGKRZSA-N -1 3 286.353 0.394 10 0 CCAEHM C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)[C@@H](N)CCC(=O)[O-] ZINC000701072738 976995984 /nfs/dbraw/zinc/99/59/84/976995984.db2.gz FSURIMIPRWSPJJ-RKYHVTRTSA-N -1 3 258.318 0.107 10 0 CCAEHM CN(C)C[C@H](N)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1 ZINC000702387190 977080651 /nfs/dbraw/zinc/08/06/51/977080651.db2.gz KDTRBKSBGOKYKQ-JTQLQIEISA-N -1 3 285.731 0.866 10 0 CCAEHM N[C@@H](CCC(=O)[O-])C(=O)N1CCCC2(CC2)CC1 ZINC000702493988 977086448 /nfs/dbraw/zinc/08/64/48/977086448.db2.gz JLILJZRMHWYSMJ-JTQLQIEISA-N -1 3 254.330 0.971 10 0 CCAEHM CC1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](N)CCC(=O)[O-] ZINC000703110036 977154675 /nfs/dbraw/zinc/15/46/75/977154675.db2.gz JBVPEZWWNUTTBM-HUAZRZQGSA-N -1 3 254.330 0.968 10 0 CCAEHM CCC(C)(C)NC(=O)[C@@H](C)N1CC[C@@](OC)(C(=O)[O-])C1 ZINC000703742679 977182747 /nfs/dbraw/zinc/18/27/47/977182747.db2.gz SARVXSRDTUZZIN-YGRLFVJLSA-N -1 3 286.372 0.855 10 0 CCAEHM C[C@@H](c1ccc(C(=O)[O-])o1)N1C[C@@H](CO)[C@H](CO)C1 ZINC000704480103 977236566 /nfs/dbraw/zinc/23/65/66/977236566.db2.gz GDWXIMUQDNIFAQ-GUBZILKMSA-N -1 3 269.297 0.571 10 0 CCAEHM CN(C)C[C@H](N)C(=O)N(C)Cc1ccc(C(=O)[O-])cc1 ZINC000705404949 977278197 /nfs/dbraw/zinc/27/81/97/977278197.db2.gz LUXWGYDHDDZMLF-LBPRGKRZSA-N -1 3 279.340 0.232 10 0 CCAEHM C[C@@H]1CCN(CCCCS(C)(=O)=O)[C@@H](C(=O)[O-])C1 ZINC000705531483 977281041 /nfs/dbraw/zinc/28/10/41/977281041.db2.gz BYTFIXJVQRRKFX-GHMZBOCLSA-N -1 3 277.386 0.996 10 0 CCAEHM COc1ccc(CN2CC[C@@](O)(C(=O)[O-])C2)cc1OC ZINC000706449785 977325806 /nfs/dbraw/zinc/32/58/06/977325806.db2.gz UMFXLMGOYFYBOV-AWEZNQCLSA-N -1 3 281.308 0.725 10 0 CCAEHM Cc1oc(C(=O)[O-])cc1CN[C@@H]1CCOC[C@H]1O ZINC000706690660 977359433 /nfs/dbraw/zinc/35/94/33/977359433.db2.gz ZSRJFQCTIMNZBG-NXEZZACHSA-N -1 3 255.270 0.526 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H]2CC(=O)[O-])CCN1C ZINC000719461735 978003723 /nfs/dbraw/zinc/00/37/23/978003723.db2.gz AFWHDBOSVGHUNZ-MXWKQRLJSA-N -1 3 269.345 0.728 10 0 CCAEHM N[C@H](CC(F)F)C(=O)NCc1ncc(C(=O)[O-])s1 ZINC000720616894 978041156 /nfs/dbraw/zinc/04/11/56/978041156.db2.gz AGNOLMWIEZTVAA-SCSAIBSYSA-N -1 3 279.268 0.440 10 0 CCAEHM CN1C[C@H](NC(=O)c2ccnc(C(=O)[O-])c2)C(C)(C)C1 ZINC000722272122 978134236 /nfs/dbraw/zinc/13/42/36/978134236.db2.gz PTCXJIYCZAOUQE-NSHDSACASA-N -1 3 277.324 0.850 10 0 CCAEHM CN(C)CCN(C)C(=O)Nc1c(C(=O)[O-])cnn1C ZINC000725220397 978263854 /nfs/dbraw/zinc/26/38/54/978263854.db2.gz YOQLODIHEZLDOK-UHFFFAOYSA-N -1 3 269.305 0.144 10 0 CCAEHM CCN1CCC[C@@H]1CN(C)C(=O)C1(C(=O)[O-])CC1 ZINC000092666446 349501723 /nfs/dbraw/zinc/50/17/23/349501723.db2.gz UCDFSPARYIHEMU-SNVBAGLBSA-N -1 3 254.330 0.794 10 0 CCAEHM CO[C@H]1C[C@@H](CO)N(C(=O)c2cccc(C)c2[O-])C1 ZINC000311566919 232015772 /nfs/dbraw/zinc/01/57/72/232015772.db2.gz TVLSXFRYVVFWMO-QWRGUYRKSA-N -1 3 265.309 0.922 10 0 CCAEHM CCOc1ccccc1NC(=O)[C@@H](N)CC(=O)[O-] ZINC000085810878 179177349 /nfs/dbraw/zinc/17/73/49/179177349.db2.gz RCWSYHBVHDGXKW-QMMMGPOBSA-N -1 3 252.270 0.826 10 0 CCAEHM CC(C)C[C@@H](N)[C@H](O)C(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000027424257 348099516 /nfs/dbraw/zinc/09/95/16/348099516.db2.gz GPOZZLLZFGFHTR-VWYCJHECSA-N -1 3 274.361 0.336 10 0 CCAEHM C[C@H](CNC(=O)[C@H](N)CC(=O)[O-])c1ccccc1 ZINC000027657471 348100862 /nfs/dbraw/zinc/10/08/62/348100862.db2.gz BFSBQNNFHITZCR-MWLCHTKSSA-N -1 3 250.298 0.708 10 0 CCAEHM CCCCCCC(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000084796191 349328301 /nfs/dbraw/zinc/32/83/01/349328301.db2.gz VPLQBWSSWYAEEX-CYBMUJFWSA-N -1 3 267.329 0.767 10 0 CCAEHM COc1ccccc1C(=O)N1CC[C@]2(C1)NC(=O)[N-]C2=O ZINC000084796396 349328390 /nfs/dbraw/zinc/32/83/90/349328390.db2.gz MCAPYQJFFDVENN-CQSZACIVSA-N -1 3 289.291 0.119 10 0 CCAEHM COc1cccc(C(=O)N2CC[C@@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000083856662 349311615 /nfs/dbraw/zinc/31/16/15/349311615.db2.gz KUQMPSPEXXTNBI-AWEZNQCLSA-N -1 3 289.291 0.119 10 0 CCAEHM C[C@]1(C(=O)[O-])CCN(C(=O)[C@@]2(C)CCCCN2)C1 ZINC000133439972 350335905 /nfs/dbraw/zinc/33/59/05/350335905.db2.gz ATSBUVOUOPEJMU-QWHCGFSZSA-N -1 3 254.330 0.842 10 0 CCAEHM O=C([O-])CCN1CCN(Cc2ccccc2)C[C@H](O)C1 ZINC000108270701 186209713 /nfs/dbraw/zinc/20/97/13/186209713.db2.gz KYCRSYYNTCZSHQ-CQSZACIVSA-N -1 3 278.352 0.640 10 0 CCAEHM C[C@@H]1CC[C@@H](NC(=O)C2CC3(C2)NC(=O)[N-]C3=O)[C@H](C)C1 ZINC000158260998 350656364 /nfs/dbraw/zinc/65/63/64/350656364.db2.gz RULYCGSQTWXCPU-IPSXUFJJSA-N -1 3 293.367 0.916 10 0 CCAEHM CO[C@H](C)Cn1cc(Br)c(=O)[n-]c1=O ZINC000167391435 350809866 /nfs/dbraw/zinc/80/98/66/350809866.db2.gz NJCPYNXNVDOJKQ-RXMQYKEDSA-N -1 3 263.091 0.334 10 0 CCAEHM O=C(c1nc2ccccc2c(=O)[n-]1)N1CCN2CCC[C@@H]2C1 ZINC000171807261 350935908 /nfs/dbraw/zinc/93/59/08/350935908.db2.gz GTNNDRMCJAIEJB-LLVKDONJSA-N -1 3 298.346 0.843 10 0 CCAEHM CCc1nc(C2([N-]S(C)(=O)=O)CCCC2)no1 ZINC000177607808 351208397 /nfs/dbraw/zinc/20/83/97/351208397.db2.gz ADVKSJYSJSAOJI-UHFFFAOYSA-N -1 3 259.331 0.951 10 0 CCAEHM O=C(/C=C/c1cncc([O-])c1)N1CC(NC(=O)C2CC2)C1 ZINC000189362773 351673072 /nfs/dbraw/zinc/67/30/72/351673072.db2.gz WPNZVRGQGZDCSC-DAFODLJHSA-N -1 3 287.319 0.537 10 0 CCAEHM CC(C)n1nnnc1CS(=O)(=O)c1nc(C2CC2)n[n-]1 ZINC000195479382 351914806 /nfs/dbraw/zinc/91/48/06/351914806.db2.gz FGSDEMKLFJCQIP-UHFFFAOYSA-N -1 3 297.344 0.223 10 0 CCAEHM CC(C)n1nnnc1CS(=O)(=O)c1nnc(C2CC2)[n-]1 ZINC000195479382 351914809 /nfs/dbraw/zinc/91/48/09/351914809.db2.gz FGSDEMKLFJCQIP-UHFFFAOYSA-N -1 3 297.344 0.223 10 0 CCAEHM CCOC(=O)c1coc([N-][C@H]2CCCNC2=O)n1 ZINC000228309527 352072533 /nfs/dbraw/zinc/07/25/33/352072533.db2.gz TYQGVTWNWUBZOR-ZETCQYMHSA-N -1 3 253.258 0.542 10 0 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C[C@@H]1C[C@@H](C(=O)[O-])CN(CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000696750261 954819130 /nfs/dbraw/zinc/81/91/30/954819130.db2.gz DXPINFNVHBGIFO-GRYCIOLGSA-N -1 3 289.397 0.854 10 0 CCAEHM CN1CCC[C@H]2[C@@H]1CCN2C(=O)[C@@H]1CC[C@@H]1C(=O)[O-] ZINC000720862621 955183563 /nfs/dbraw/zinc/18/35/63/955183563.db2.gz YJHOCTCURKRDCI-RHYQMDGZSA-N -1 3 266.341 0.792 10 0 CCAEHM Cn1ncc(C(=O)[O-])c1CN[C@@H]1COC2(CCC2)C1 ZINC000688323631 968882858 /nfs/dbraw/zinc/88/28/58/968882858.db2.gz WLQJDKFEVSQPDC-VIFPVBQESA-N -1 3 265.313 0.920 10 0 CCAEHM COC[C@@]1(C(=O)[O-])CN(C[C@H]2CCSC2)CCO1 ZINC000711543195 969056398 /nfs/dbraw/zinc/05/63/98/969056398.db2.gz WNPJXWQOQPLFSF-ZYHUDNBSSA-N -1 3 275.370 0.542 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCO[C@@H](C(F)(F)F)CC1 ZINC000687582071 976149196 /nfs/dbraw/zinc/14/91/96/976149196.db2.gz MVONTDFQBLFVSJ-HTQZYQBOSA-N -1 3 298.261 0.358 10 0 CCAEHM CN(Cc1oncc1C(=O)[O-])C[C@H]1CCC[C@@H]1O ZINC000689233610 976244058 /nfs/dbraw/zinc/24/40/58/976244058.db2.gz WOWZHDJXXZKGFA-SCZZXKLOSA-N -1 3 254.286 0.966 10 0 CCAEHM NC(=O)C[C@H]1CCN(Cc2oncc2C(=O)[O-])C1 ZINC000690772674 976333369 /nfs/dbraw/zinc/33/33/69/976333369.db2.gz SAJZHQDNFNQJOY-SSDOTTSWSA-N -1 3 253.258 0.070 10 0 CCAEHM CN(C(=O)[C@H](N)CC(F)F)[C@H]1C[C@@H](C(=O)[O-])C1 ZINC000693003653 976561562 /nfs/dbraw/zinc/56/15/62/976561562.db2.gz MYIYWRNKOYXVKI-DSYKOEDSSA-N -1 3 250.245 0.291 10 0 CCAEHM O=C([O-])C1=CC[C@@H](NC(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000694936941 976747837 /nfs/dbraw/zinc/74/78/37/976747837.db2.gz KFDWCQQLOKOHGF-GHMZBOCLSA-N -1 3 279.340 0.696 10 0 CCAEHM CC(C)C[C@H](C(=O)[O-])N1CCC[C@H](S(C)(=O)=O)C1 ZINC000695166002 976786022 /nfs/dbraw/zinc/78/60/22/976786022.db2.gz JJMPGOQONLAWED-WDEREUQCSA-N -1 3 277.386 0.995 10 0 CCAEHM NC(C(=O)NCCc1ccc(C(=O)[O-])cc1)C(F)(F)F ZINC000705522656 977280944 /nfs/dbraw/zinc/28/09/44/977280944.db2.gz GEBYZQWJEISLEY-VIFPVBQESA-N -1 3 290.241 0.933 10 0 CCAEHM C[C@H](CN1CC[C@H](C(=O)[O-])[C@@H]1C)CS(C)(=O)=O ZINC000705591101 977285074 /nfs/dbraw/zinc/28/50/74/977285074.db2.gz NBSDYEYRAWNCET-UTLUCORTSA-N -1 3 263.359 0.462 10 0 CCAEHM C[C@H]1[C@H](C(=O)[O-])CCN1CCCCS(C)(=O)=O ZINC000705582795 977285184 /nfs/dbraw/zinc/28/51/84/977285184.db2.gz DGSJEHWBHZYVLL-VHSXEESVSA-N -1 3 263.359 0.606 10 0 CCAEHM C[C@]1(CO)C[C@@H](O)CN1Cc1cc(C(=O)[O-])cs1 ZINC000711389082 977540968 /nfs/dbraw/zinc/54/09/68/977540968.db2.gz KIYFVYPCBYJEND-BXKDBHETSA-N -1 3 271.338 0.764 10 0 CCAEHM CCn1nccc1CNC[C@H]1[C@H](C(=O)[O-])C1(F)F ZINC000715271975 977717993 /nfs/dbraw/zinc/71/79/93/977717993.db2.gz OHDFSVKSTXTIDQ-DTWKUNHWSA-N -1 3 259.256 0.959 10 0 CCAEHM O=C([O-])[C@H]1[C@@H](CNCC(=O)NC2CCCC2)C1(F)F ZINC000715316458 977740484 /nfs/dbraw/zinc/74/04/84/977740484.db2.gz VFBRIMHFXTXPTB-PSASIEDQSA-N -1 3 276.283 0.601 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)NCC[C@@H]1CCCS1 ZINC000715911343 977799592 /nfs/dbraw/zinc/79/95/92/977799592.db2.gz AJIKYDAGTJBGBO-DTWKUNHWSA-N -1 3 260.359 0.580 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)NC2CC(CC(=O)[O-])C2)CCN1C ZINC000719399203 978001980 /nfs/dbraw/zinc/00/19/80/978001980.db2.gz ZJCPLKQGUCZJHC-SFXRXQKFSA-N -1 3 269.345 0.632 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)NC2CC(C(=O)[O-])C2)CCN1C ZINC000719403799 978002565 /nfs/dbraw/zinc/00/25/65/978002565.db2.gz GKRLLYGQXCBLJU-WOOKNIGNSA-N -1 3 255.318 0.241 10 0 CCAEHM CC(C)(CCNC(=O)N1CCN2CCC1CC2)C(=O)[O-] ZINC000722789415 978166631 /nfs/dbraw/zinc/16/66/31/978166631.db2.gz LJVMMQOQNFZRSM-UHFFFAOYSA-N -1 3 283.372 0.977 10 0 CCAEHM CC(C)(N)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000829369318 978998113 /nfs/dbraw/zinc/99/81/13/978998113.db2.gz SJOUXWGAJDLXLO-UHFFFAOYSA-N -1 3 254.290 0.379 10 0 CCAEHM O=C([N-]C1=NCCS1)[C@H]1CCCN(c2ncccn2)C1 ZINC000045132003 136757382 /nfs/dbraw/zinc/75/73/82/136757382.db2.gz VHXFNPRBROZGOK-JTQLQIEISA-N -1 3 291.380 0.912 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@H](c3nnn[n-]3)C[C@@H]2C1 ZINC000056705145 348593649 /nfs/dbraw/zinc/59/36/49/348593649.db2.gz KPJGJAMQQDPGGT-NXEZZACHSA-N -1 3 294.359 0.608 10 0 CCAEHM CC(C)(C)OC(=O)N1CCN2C[C@H](c3nn[n-]n3)C[C@@H]2C1 ZINC000056705145 348593652 /nfs/dbraw/zinc/59/36/52/348593652.db2.gz KPJGJAMQQDPGGT-NXEZZACHSA-N -1 3 294.359 0.608 10 0 CCAEHM C[N-]S(=O)(=O)c1cc(C(=O)N[C@H]2C[C@H]2C)c(C)o1 ZINC000081732469 349281339 /nfs/dbraw/zinc/28/13/39/349281339.db2.gz ZKIKRKZQLRBQGO-MUWHJKNJSA-N -1 3 272.326 0.634 10 0 CCAEHM CCCCCC(=O)N1CC[C@@]2(C1)NC(=O)[N-]C2=O ZINC000084796324 349328385 /nfs/dbraw/zinc/32/83/85/349328385.db2.gz YKIYCYULEXMKRP-LBPRGKRZSA-N -1 3 253.302 0.377 10 0 CCAEHM O=C(c1ccc(O)cc1[O-])N1CC[C@@H](CCO)C1 ZINC000130183286 350231941 /nfs/dbraw/zinc/23/19/41/350231941.db2.gz HMHYLOBNNIQXBU-VIFPVBQESA-N -1 3 251.282 0.942 10 0 CCAEHM CN(C)C[C@H]1CN(C(=O)c2cncc([O-])c2)CCO1 ZINC000172081481 350957391 /nfs/dbraw/zinc/95/73/91/350957391.db2.gz MMSWQSZISODKQZ-LBPRGKRZSA-N -1 3 265.313 0.190 10 0 CCAEHM CNC(=O)[C@H](NC(=O)c1cccc([O-])c1)C(C)C ZINC000182851420 351370414 /nfs/dbraw/zinc/37/04/14/351370414.db2.gz FGFJUMUIDROZEA-LLVKDONJSA-N -1 3 250.298 0.893 10 0 CCAEHM CN1CCO[C@H](CNC(=O)c2c([O-])cccc2O)C1 ZINC000220235477 351971521 /nfs/dbraw/zinc/97/15/21/351971521.db2.gz BCDCMMPXKFMISS-SECBINFHSA-N -1 3 266.297 0.158 10 0 CCAEHM COc1ccc([O-])c(C(=O)N2C[C@@H](OC)[C@H](OC)C2)c1 ZINC000234762911 352169514 /nfs/dbraw/zinc/16/95/14/352169514.db2.gz FPGSJPKKSOQFDO-CHWSQXEVSA-N -1 3 281.308 0.887 10 0 CCAEHM Cc1cc(=O)[n-]c([C@H](C)N2C[C@@H](C)O[C@@H](C(N)=O)C2)n1 ZINC000248775486 352459251 /nfs/dbraw/zinc/45/92/51/352459251.db2.gz UKMPERVQOZIXDS-KXUCPTDWSA-N -1 3 280.328 0.126 10 0 CCAEHM O=C(C(=O)N1CCN2CCC[C@H]2C1)c1ccc([O-])cc1 ZINC000287715277 353663720 /nfs/dbraw/zinc/66/37/20/353663720.db2.gz YIAWJIUOAASTPV-LBPRGKRZSA-N -1 3 274.320 0.882 10 0 CCAEHM CN1C[C@@H](CNC(=O)c2ccc(O)cc2[O-])CC1=O ZINC000619001068 366146982 /nfs/dbraw/zinc/14/69/82/366146982.db2.gz GTQGMMBXBOZCNK-MRVPVSSYSA-N -1 3 264.281 0.306 10 0 CCAEHM CN(C)c1nc(C(=O)N[C@H]2C[C@@H](O)C2(C)C)cc(=O)[n-]1 ZINC000407989789 357854045 /nfs/dbraw/zinc/85/40/45/357854045.db2.gz KBDCWYXDSJGIKO-DTWKUNHWSA-N -1 3 280.328 0.137 10 0 CCAEHM CO[C@@H]1CN(C(=O)c2cc(=O)[n-]c(N(C)C)n2)CC[C@H]1C ZINC000407991460 357855089 /nfs/dbraw/zinc/85/50/89/357855089.db2.gz OZYLWRRPQZUTFW-MWLCHTKSSA-N -1 3 294.355 0.745 10 0 CCAEHM Cc1ccc([O-])c(NC(=O)[C@H]2CC(=O)N[C@H](C)C2)n1 ZINC000408211789 357974111 /nfs/dbraw/zinc/97/41/11/357974111.db2.gz RBZVQFDTCALFDO-RKDXNWHRSA-N -1 3 263.297 0.949 10 0 CCAEHM Cn1cc2c(=N)n(Nc3ccccc3)c(=O)nc-2[n-]1 ZINC000584659737 359187476 /nfs/dbraw/zinc/18/74/76/359187476.db2.gz STNIHXPQUQLHSC-UHFFFAOYSA-N -1 3 256.269 0.369 10 0 CCAEHM CN1CCO[C@@H](CNC(=O)c2ccc(O)cc2[O-])C1 ZINC000179463404 189195664 /nfs/dbraw/zinc/19/56/64/189195664.db2.gz LEBQTVOMFXKBAA-JTQLQIEISA-N -1 3 266.297 0.158 10 0 CCAEHM O=S(=O)([N-][C@@H]1CCOC[C@@H]1O)c1ccccc1F ZINC000625590153 368261492 /nfs/dbraw/zinc/26/14/92/368261492.db2.gz CLMAXPVGIITFCN-ZJUUUORDSA-N -1 3 275.301 0.254 10 0 CCAEHM CC(=O)NC1CN(C(=O)c2ccc(O)cc2[O-])C1 ZINC000276231148 193251033 /nfs/dbraw/zinc/25/10/33/193251033.db2.gz RXZGVOJPDKOQKX-UHFFFAOYSA-N -1 3 250.254 0.058 10 0 CCAEHM CCN1CCC[C@H]1CN(C)S(=O)(=O)c1ncc[n-]1 ZINC000310997137 389101221 /nfs/dbraw/zinc/10/12/21/389101221.db2.gz MJUFUZKQRPDFOW-JTQLQIEISA-N -1 3 272.374 0.515 10 0 CCAEHM CC[C@H]1CN2CCC[C@@H]2CN1S(=O)(=O)c1ncc[n-]1 ZINC000647900828 390211643 /nfs/dbraw/zinc/21/16/43/390211643.db2.gz VMFBRIGVKOTQOI-WDEREUQCSA-N -1 3 284.385 0.657 10 0 CCAEHM C[C@H]1NC(=O)CC[C@H]1NC(=O)c1ccc(O)cc1[O-] ZINC000281651247 195322798 /nfs/dbraw/zinc/32/27/98/195322798.db2.gz BJFWIZMUCPMYTD-GMSGAONNSA-N -1 3 264.281 0.495 10 0 CCAEHM COCCCN(C)[C@@H]1CCCCN(CC(=O)[O-])C1=O ZINC000643872694 390589358 /nfs/dbraw/zinc/58/93/58/390589358.db2.gz ILDPVRFPRAUYMG-LLVKDONJSA-N -1 3 272.345 0.420 10 0 CCAEHM Cc1ccc(C)c(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)c1 ZINC000084796409 292083732 /nfs/dbraw/zinc/08/37/32/292083732.db2.gz UEPFCWCYMMGDLY-OAHLLOKOSA-N -1 3 287.319 0.728 10 0 CCAEHM CCC(=O)N1[C@H](C(=O)[O-])CSC12CCN(C)CC2 ZINC000006751384 397373186 /nfs/dbraw/zinc/37/31/86/397373186.db2.gz BDMKLNSDZSKNQL-VIFPVBQESA-N -1 3 272.370 0.847 10 0 CCAEHM CCOC(=O)[C@H]1CCCN(CC(=O)[N-]C(=O)OC)C1 ZINC000007436808 170284427 /nfs/dbraw/zinc/28/44/27/170284427.db2.gz MDDWBRSQXVRKMP-VIFPVBQESA-N -1 3 272.301 0.144 10 0 CCAEHM CC(C(=O)NC(C)(C)C)S(=O)(=O)[C@H](C)C(=O)[O-] ZINC000020421424 171186915 /nfs/dbraw/zinc/18/69/15/171186915.db2.gz MORMIZAMZULVGM-NKWVEPMBSA-N -1 3 265.331 0.178 10 0 CCAEHM CC(C(=O)NC1CCCCC1)S(=O)(=O)[C@@H](C)C(=O)[O-] ZINC000020421182 171187178 /nfs/dbraw/zinc/18/71/78/171187178.db2.gz RPQHOMCBZOBZIO-BDAKNGLRSA-N -1 3 291.369 0.712 10 0 CCAEHM CC[C@H](C)NC(=O)C(C)S(=O)(=O)CCC(=O)[O-] ZINC000020421506 171187767 /nfs/dbraw/zinc/18/77/67/171187767.db2.gz CXHYPSSCIAJKAN-YUMQZZPRSA-N -1 3 265.331 0.179 10 0 CCAEHM CC[C@H](C)NC(=O)C(C)S(=O)(=O)CCC(=O)[O-] ZINC000020421502 171187932 /nfs/dbraw/zinc/18/79/32/171187932.db2.gz CXHYPSSCIAJKAN-JGVFFNPUSA-N -1 3 265.331 0.179 10 0 CCAEHM Cc1nn(C)c(N2CCCN(C)CC2)c1C(=O)[O-] ZINC000020445953 171206465 /nfs/dbraw/zinc/20/64/65/171206465.db2.gz IIXZBONPOCEIFK-UHFFFAOYSA-N -1 3 252.318 0.569 10 0 CCAEHM O=C([O-])CSc1nncn1[C@H]1CN2CCC1CC2 ZINC000020583942 171257903 /nfs/dbraw/zinc/25/79/03/171257903.db2.gz FIUCCVDHDVIJLF-VIFPVBQESA-N -1 3 268.342 0.722 10 0 CCAEHM COc1cccc(C(=O)N2C[C@H](OC)C[C@H]2CO)c1[O-] ZINC000284773031 196128763 /nfs/dbraw/zinc/12/87/63/196128763.db2.gz HUYZAOSZGRIJSX-VHSXEESVSA-N -1 3 281.308 0.623 10 0 CCAEHM CS(=O)(=O)[N-]c1ccc(C(=O)N2CCC(O)CC2)cc1 ZINC000035200839 172045697 /nfs/dbraw/zinc/04/56/97/172045697.db2.gz DNRNXRDAHRBHHG-UHFFFAOYSA-N -1 3 298.364 0.655 10 0 CCAEHM O=C([O-])CNCCS(=O)(=O)c1ccc(Cl)cc1 ZINC000035385469 172167777 /nfs/dbraw/zinc/16/77/77/172167777.db2.gz VYUWJVRWTYNTLQ-UHFFFAOYSA-N -1 3 277.729 0.788 10 0 CCAEHM O=C([O-])CCNCC(=O)NCc1ccc(F)cc1 ZINC000035386500 172168638 /nfs/dbraw/zinc/16/86/38/172168638.db2.gz XFNCHHICURCCKF-UHFFFAOYSA-N -1 3 254.261 0.506 10 0 CCAEHM C[C@@H](NCC(=O)NCc1ccccc1F)C(=O)[O-] ZINC000035387122 172168654 /nfs/dbraw/zinc/16/86/54/172168654.db2.gz KUROFYDKDKBIMZ-MRVPVSSYSA-N -1 3 254.261 0.505 10 0 CCAEHM CCCn1cc(S(=O)(=O)[N-]C2CCOCC2)c(N)n1 ZINC000037559849 173270274 /nfs/dbraw/zinc/27/02/74/173270274.db2.gz SXODMMZEHLXTSH-UHFFFAOYSA-N -1 3 288.373 0.333 10 0 CCAEHM CCOC(=O)Cc1c(C)nc(CN(C)C)[n-]c1=O ZINC000040543636 174323764 /nfs/dbraw/zinc/32/37/64/174323764.db2.gz HFAVHZDMLGEPIK-UHFFFAOYSA-N -1 3 253.302 0.658 10 0 CCAEHM CN(C)[C@H]1CCN(C(=O)NC[C@H](C(=O)[O-])C2CCC2)C1 ZINC000665326583 415602938 /nfs/dbraw/zinc/60/29/38/415602938.db2.gz BGOZCCQCQQPMFV-RYUDHWBXSA-N -1 3 283.372 0.833 10 0 CCAEHM Cc1ccc(C(=O)N2CC[C@]3(C2)NC(=O)[N-]C3=O)cc1O ZINC000167940091 544728449 /nfs/dbraw/zinc/72/84/49/544728449.db2.gz DOYXQMNQXPZIPG-CQSZACIVSA-N -1 3 289.291 0.125 10 0 CCAEHM CC(C)[C@H](CNC(=O)N1CCN2CCC[C@H]2C1)C(=O)[O-] ZINC000251297111 544926352 /nfs/dbraw/zinc/92/63/52/544926352.db2.gz HJEHVAUWXWZIGN-RYUDHWBXSA-N -1 3 283.372 0.833 10 0 CCAEHM CC(C)[C@@H](CN(C)C)NC(=O)N[C@H](C)CC(=O)[O-] ZINC000049230603 519793300 /nfs/dbraw/zinc/79/33/00/519793300.db2.gz WMXIUOCEOYFIQK-NXEZZACHSA-N -1 3 259.350 0.735 10 0 CCAEHM CC(C)[C@H](NC(=O)N1CCC[C@H]1CN(C)C)C(=O)[O-] ZINC000061653850 519818930 /nfs/dbraw/zinc/81/89/30/519818930.db2.gz ADDOFGCWNSJLKW-QWRGUYRKSA-N -1 3 271.361 0.831 10 0 CCAEHM CCCNC(=O)NC(=O)CN(CC)[C@H](C)CC(=O)[O-] ZINC000061182354 519884523 /nfs/dbraw/zinc/88/45/23/519884523.db2.gz SNWOLSINRQEOID-SECBINFHSA-N -1 3 273.333 0.407 10 0 CCAEHM CCn1c(=O)[n-]nc1SCc1nnsc1NC ZINC000061608245 523092689 /nfs/dbraw/zinc/09/26/89/523092689.db2.gz VGYDRHZOQXTJCD-UHFFFAOYSA-N -1 3 272.359 0.777 10 0 CCAEHM CC[C@H]1CN(CC2(C(=O)[O-])CCOCC2)CCO1 ZINC000052198556 523270477 /nfs/dbraw/zinc/27/04/77/523270477.db2.gz XAXWFVSCPPFAKT-NSHDSACASA-N -1 3 257.330 0.979 10 0 CCAEHM CC[C@H](C(=O)[O-])N(C)C(=O)NCCN(C)CCOC ZINC000061400250 523808724 /nfs/dbraw/zinc/80/87/24/523808724.db2.gz VVTVTGNGHZLSAC-SNVBAGLBSA-N -1 3 275.349 0.069 10 0 CCAEHM C[C@]1(C(=O)[O-])CCN(C(=O)NCCN2CCCC2)C1 ZINC000062935652 525230049 /nfs/dbraw/zinc/23/00/49/525230049.db2.gz IXMMXIFFEJQWBJ-ZDUSSCGKSA-N -1 3 269.345 0.588 10 0 CCAEHM C[C@H]([N-]S(=O)(=O)c1cnc(N)nc1)c1ccco1 ZINC000050655287 525513997 /nfs/dbraw/zinc/51/39/97/525513997.db2.gz ZSKKZEJJBWCDSW-ZETCQYMHSA-N -1 3 268.298 0.691 10 0 CCAEHM C[C@@H](O)CN(C)C(=O)c1cc(=O)c2ccccc2[n-]1 ZINC000051818306 525777437 /nfs/dbraw/zinc/77/74/37/525777437.db2.gz HEVYJHWADUUYEO-SECBINFHSA-N -1 3 260.293 0.981 10 0 CCAEHM Cc1nnc(N2CCCN(C)CC2)c(C(=O)[O-])c1C ZINC000054532390 526355783 /nfs/dbraw/zinc/35/57/83/526355783.db2.gz ULEJBISDEGYAIT-UHFFFAOYSA-N -1 3 264.329 0.934 10 0 CCAEHM CN1CCC[C@H]1CNC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000225867714 636958690 /nfs/dbraw/zinc/95/86/90/636958690.db2.gz GGMROBFRBDKGNR-UWVGGRQHSA-N -1 3 255.318 0.339 10 0 CCAEHM CC[C@@H]1CN(C(=O)[C@@H](N)CCC(=O)[O-])C[C@@H](C)O1 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NUHNRDRNCQWUEP-SSDOTTSWSA-N -1 3 294.398 0.837 10 0 CCAEHM COC(C)(C)CN(C)[C@H]1CCN(CC(=O)[O-])C1=O ZINC000694951840 954798975 /nfs/dbraw/zinc/79/89/75/954798975.db2.gz GSCZDYOINKZBRF-VIFPVBQESA-N -1 3 258.318 0.029 10 0 CCAEHM COC[C@]1(C(=O)[O-])CN(CC[C@H]2CCCO2)CCO1 ZINC000711511398 955042212 /nfs/dbraw/zinc/04/22/12/955042212.db2.gz WKCSRKMSAOUKAX-YPMHNXCESA-N -1 3 273.329 0.358 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)C2(C(=O)[O-])CCSCC2)CCN1C ZINC000719476551 955168640 /nfs/dbraw/zinc/16/86/40/955168640.db2.gz VQHJDAPRCZYGGS-ZJUUUORDSA-N -1 3 286.397 0.793 10 0 CCAEHM C[C@@H]1[C@@H](NC(=O)N2CCC[C@@H](CC(=O)[O-])C2)CCN1C ZINC000719491394 955168795 /nfs/dbraw/zinc/16/87/95/955168795.db2.gz OOHKPXGGDAFQHT-WOPDTQHZSA-N -1 3 283.372 0.975 10 0 CCAEHM CN1C[C@H](NC(=O)c2ccc(C(=O)[O-])nc2)C(C)(C)C1 ZINC000722271677 955195592 /nfs/dbraw/zinc/19/55/92/955195592.db2.gz PCHYZWITHPEPJS-NSHDSACASA-N -1 3 277.324 0.850 10 0 CCAEHM C[C@@H]1[C@H](NC(=O)Nc2cccnc2C(=O)[O-])CCN1C ZINC000719482836 969104945 /nfs/dbraw/zinc/10/49/45/969104945.db2.gz KDYLQNWGJRLEFV-RKDXNWHRSA-N -1 3 278.312 0.994 10 0 CCAEHM N[C@H](CCC(=O)[O-])C(=O)N1CCC[C@@H]1C1CCC1 ZINC000688172713 976173241 /nfs/dbraw/zinc/17/32/41/976173241.db2.gz DCDZCRXLDLKJBF-GHMZBOCLSA-N -1 3 254.330 0.970 10 0 CCAEHM CCN(C(=O)NC/C=C(\C)C(=O)[O-])[C@H]1CCN(C)C1 ZINC000692410785 976452009 /nfs/dbraw/zinc/45/20/09/976452009.db2.gz SMCXEWZCDPGLJH-UAWPZABVSA-N -1 3 269.345 0.753 10 0 CCAEHM CC[C@H](NCc1cc(C(=O)[O-])c(C)[nH]1)C(=O)NC ZINC000697870638 976866228 /nfs/dbraw/zinc/86/62/28/976866228.db2.gz MUZWOWAWSIVRPT-JTQLQIEISA-N -1 3 253.302 0.636 10 0 CCAEHM Cc1sc(C(=O)[O-])cc1CN1C[C@@H](O)C[C@H]1CO ZINC000698213914 976884341 /nfs/dbraw/zinc/88/43/41/976884341.db2.gz SQZVNFZAGBSHSW-UWVGGRQHSA-N -1 3 271.338 0.682 10 0 CCAEHM C[C@H](CC(=O)[O-])CC(=O)N1CC[C@H](N2CCC2)C1 ZINC000702263730 977075109 /nfs/dbraw/zinc/07/51/09/977075109.db2.gz MWIZPFJOZAMSIQ-QWRGUYRKSA-N -1 3 254.330 0.794 10 0 CCAEHM C[C@@]1(C(=O)[O-])CCCN(CCCCS(C)(=O)=O)C1 ZINC000705583506 977284186 /nfs/dbraw/zinc/28/41/86/977284186.db2.gz PFBSUNHEHNWWSQ-GFCCVEGCSA-N -1 3 277.386 0.998 10 0 CCAEHM Cc1noc(C)c1CCN1CC[C@@](O)(C(=O)[O-])C1 ZINC000706435322 977317303 /nfs/dbraw/zinc/31/73/03/977317303.db2.gz BSURZLFDHBAWGP-LBPRGKRZSA-N -1 3 254.286 0.355 10 0 CCAEHM CC(C)[C@@H]1CN(C(=O)[C@@H](N)CCC(=O)[O-])CCO1 ZINC000708997403 977449701 /nfs/dbraw/zinc/44/97/01/977449701.db2.gz GUTGRLXQPTVDPV-UWVGGRQHSA-N -1 3 258.318 0.062 10 0 CCAEHM N[C@@H](CCC(=O)[O-])C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000716309840 977829594 /nfs/dbraw/zinc/82/95/94/977829594.db2.gz DMBXVAGQOMHQIN-MNOVXSKESA-N -1 3 284.356 0.644 10 0 CCAEHM Cn1ncc(CN)c1C(=O)NCCCCCC(=O)[O-] ZINC000719264052 977998358 /nfs/dbraw/zinc/99/83/58/977998358.db2.gz FXZCHJNWPBLJQI-UHFFFAOYSA-N -1 3 268.317 0.254 10 0 CCAEHM C[C@H]1[C@@H](NC(=O)NCc2ncc(C(=O)[O-])s2)CCN1C ZINC000720651867 978050471 /nfs/dbraw/zinc/05/04/71/978050471.db2.gz ATXUIYNUEAQAFD-YUMQZZPRSA-N -1 3 298.368 0.733 10 0 CCAEHM CN1CCC[C@@H]1CNC(=O)c1csc(C(=O)[O-])n1 ZINC000721455524 978109289 /nfs/dbraw/zinc/10/92/89/978109289.db2.gz XOYOQHDQBQREQD-SSDOTTSWSA-N -1 3 269.326 0.665 10 0 CCAEHM CNC(=O)CCCN(C)Cc1ccc(C(=O)[O-])o1 ZINC000724883276 978246954 /nfs/dbraw/zinc/24/69/54/978246954.db2.gz SAPLQRHYNQGOIQ-UHFFFAOYSA-N -1 3 254.286 0.936 10 0 CCAEHM CC(C)(C)OC(=O)N1CC([C@@]2(C)NC(=O)[N-]C2=O)C1 ZINC000096886273 185122024 /nfs/dbraw/zinc/12/20/24/185122024.db2.gz ZFLFXYQJNMLBOM-GFCCVEGCSA-N -1 3 269.301 0.451 10 0 CCAEHM O=C(N[C@@H]1CCc2ncnn2C1)c1ccc2n[n-]nc2c1 ZINC000112655712 349785024 /nfs/dbraw/zinc/78/50/24/349785024.db2.gz LLCIBLYQMSYCGB-SECBINFHSA-N -1 3 283.295 0.294 10 0 CCAEHM C[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](N)CC(=O)[O-] ZINC000027648333 348101320 /nfs/dbraw/zinc/10/13/20/348101320.db2.gz UXRBSEMFZPHJKW-GZMMTYOYSA-N -1 3 266.297 0.241 10 0 CCAEHM COc1[n-]c(N)nc2nnc(I)c1-2 ZINC000038304172 348227108 /nfs/dbraw/zinc/22/71/08/348227108.db2.gz QKTOJCLKVFGMDI-UHFFFAOYSA-N -1 3 291.052 0.548 10 0 CCAEHM COc1nc(N)[n-]c2nnc(I)c1-2 ZINC000038304172 348227111 /nfs/dbraw/zinc/22/71/11/348227111.db2.gz QKTOJCLKVFGMDI-UHFFFAOYSA-N -1 3 291.052 0.548 10 0 CCAEHM COc1nc(N)nc2[n-]nc(I)c21 ZINC000038304172 348227112 /nfs/dbraw/zinc/22/71/12/348227112.db2.gz QKTOJCLKVFGMDI-UHFFFAOYSA-N -1 3 291.052 0.548 10 0 CCAEHM COc1nc(N)nc2n[n-]c(I)c21 ZINC000038304172 348227113 /nfs/dbraw/zinc/22/71/13/348227113.db2.gz QKTOJCLKVFGMDI-UHFFFAOYSA-N -1 3 291.052 0.548 10 0 CCAEHM COC(=O)C[C@@H](NC(=O)c1c[n-]nn1)c1ccccc1 ZINC000048890113 348428419 /nfs/dbraw/zinc/42/84/19/348428419.db2.gz MDXFGBJMBXOHKB-SNVBAGLBSA-N -1 3 274.280 0.839 10 0 CCAEHM COC(=O)C[C@@H](NC(=O)c1cnn[n-]1)c1ccccc1 ZINC000048890113 348428421 /nfs/dbraw/zinc/42/84/21/348428421.db2.gz MDXFGBJMBXOHKB-SNVBAGLBSA-N -1 3 274.280 0.839 10 0 CCAEHM COC(=O)C[C@@H](NC(=O)c1cn[n-]n1)c1ccccc1 ZINC000048890113 348428424 /nfs/dbraw/zinc/42/84/24/348428424.db2.gz MDXFGBJMBXOHKB-SNVBAGLBSA-N -1 3 274.280 0.839 10 0 CCAEHM 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