smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(=O)oc2cc(OCC(=O)N[C@H](C(=O)[O-])C(C)C)ccc12 ZINC000019909875 202025784 /nfs/dbraw/zinc/02/57/84/202025784.db2.gz GJCWMVOZLSIEBI-INIZCTEOSA-N -1 0 333.340 1.706 50 0 EDAARM Cc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(C(N)=O)n(C)c1 ZINC000028197198 202165734 /nfs/dbraw/zinc/16/57/34/202165734.db2.gz MNBWNZCLTAIWDP-UHFFFAOYSA-N -1 0 327.793 1.887 50 0 EDAARM O=C([O-])CN1CCN(c2ncnc3sc4c(c32)CCCC4)CC1 ZINC000032094336 304067618 /nfs/dbraw/zinc/06/76/18/304067618.db2.gz SOVGEQIHVVCRSH-UHFFFAOYSA-N -1 0 332.429 1.777 50 0 EDAARM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)C(F)(F)F ZINC000069323493 202273938 /nfs/dbraw/zinc/27/39/38/202273938.db2.gz LXLPCXDELYRDRQ-UHFFFAOYSA-N -1 0 326.296 1.324 50 0 EDAARM COc1cccc(CN2C(=O)CC[C@@H](C(=O)[O-])[C@@H]2c2cnn(C)c2)c1 ZINC000069815436 202294019 /nfs/dbraw/zinc/29/40/19/202294019.db2.gz VVFKNCXMEHEDPU-WBVHZDCISA-N -1 0 343.383 1.993 50 0 EDAARM COc1cc2oc(=O)cc(C)c2cc1CCC(=O)NCCC(=O)[O-] ZINC000035686288 202308176 /nfs/dbraw/zinc/30/81/76/202308176.db2.gz JOPQHAUVFSQSED-UHFFFAOYSA-N -1 0 333.340 1.634 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CCO1 ZINC000299746880 202559662 /nfs/dbraw/zinc/55/96/62/202559662.db2.gz BNFGFSQBENXVEN-ZDUSSCGKSA-N -1 0 335.747 1.451 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000299753827 202569419 /nfs/dbraw/zinc/56/94/19/202569419.db2.gz ZMMHARITVJZDFE-CYBMUJFWSA-N -1 0 328.328 1.146 50 0 EDAARM CS[C@@H](CO)[C@H](C)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193810976 240319386 /nfs/dbraw/zinc/31/93/86/240319386.db2.gz SZPHBVRNPLROCP-XNCJUZBTSA-N -1 0 347.355 1.634 50 0 EDAARM CCc1nc(C)c(CC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c(=O)[nH]1 ZINC000217193939 241242572 /nfs/dbraw/zinc/24/25/72/241242572.db2.gz KZWICIJDZKTHNG-AWEZNQCLSA-N -1 0 343.383 1.515 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccc(COc2ccc(F)cc2)o1 ZINC000268965988 304135786 /nfs/dbraw/zinc/13/57/86/304135786.db2.gz CORQVSLIWWKHKS-AWEZNQCLSA-N -1 0 349.314 1.923 50 0 EDAARM COCc1nc(C(=O)[N-]S(=O)(=O)c2cc(F)ccc2F)cs1 ZINC000065041855 202823748 /nfs/dbraw/zinc/82/37/48/202823748.db2.gz XGCHTKDGWPPOBU-UHFFFAOYSA-N -1 0 348.352 1.686 50 0 EDAARM CCCCn1nnnc1CNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1 ZINC000069460573 203004768 /nfs/dbraw/zinc/00/47/68/203004768.db2.gz QRQMKZATBANFBK-MRXNPFEDSA-N -1 0 346.391 1.272 50 0 EDAARM C[C@@H](NC(=O)Cn1nc(-c2ccc(Cl)cc2)ccc1=O)C(=O)[O-] ZINC000071332881 203092239 /nfs/dbraw/zinc/09/22/39/203092239.db2.gz ULHIBLGLJDHIJM-SECBINFHSA-N -1 0 335.747 1.153 50 0 EDAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)Cc2ccn(C)c2)CC1 ZINC000072447355 203226183 /nfs/dbraw/zinc/22/61/83/203226183.db2.gz QHPSXUZTXBELOP-UHFFFAOYSA-N -1 0 330.388 1.175 50 0 EDAARM CN(C)Cc1nnc([C@H]2CCCN(c3ccc(C(=O)[O-])cn3)C2)n1C ZINC000072410125 203217002 /nfs/dbraw/zinc/21/70/02/203217002.db2.gz FURGRYXJHZEPRT-ZDUSSCGKSA-N -1 0 344.419 1.354 50 0 EDAARM Cc1c[nH]c(C(=O)N2CCC(Oc3ccc(C)nc3)(C(=O)[O-])CC2)n1 ZINC000072419157 203219124 /nfs/dbraw/zinc/21/91/24/203219124.db2.gz HHKIOFDLJWGVLM-UHFFFAOYSA-N -1 0 344.371 1.560 50 0 EDAARM C[C@@H](Oc1ccccc1)C(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072435024 203223862 /nfs/dbraw/zinc/22/38/62/203223862.db2.gz MDLQVAVDAZWSCB-CQSZACIVSA-N -1 0 343.383 1.753 50 0 EDAARM O=C([O-])c1ccc(S(=O)(=O)NCC2CC2)c(Br)c1 ZINC000019844357 212075501 /nfs/dbraw/zinc/07/55/01/212075501.db2.gz MDKKQUOODPMHBU-UHFFFAOYSA-N -1 0 334.191 1.836 50 0 EDAARM COCc1noc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)n1 ZINC000077287846 203378592 /nfs/dbraw/zinc/37/85/92/203378592.db2.gz GOMKYTVIASMHFW-UHFFFAOYSA-N -1 0 342.315 1.378 50 0 EDAARM CCOc1ccccc1[C@H]1CC(c2c([O-])[nH]c(=S)n(C)c2=O)=NN1 ZINC000101763438 204020830 /nfs/dbraw/zinc/02/08/30/204020830.db2.gz JAGTURZFNXZJMU-SNVBAGLBSA-N -1 0 346.412 1.986 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000043701879 204287617 /nfs/dbraw/zinc/28/76/17/204287617.db2.gz XWBIXSHTVHKZOV-LLVKDONJSA-N -1 0 334.155 1.684 50 0 EDAARM C[C@@H](CN(C(=O)c1c[nH]c(=O)c(Br)c1)C1CC1)C(=O)[O-] ZINC000237461870 204616283 /nfs/dbraw/zinc/61/62/83/204616283.db2.gz HJFFCVZTMQWZQR-ZETCQYMHSA-N -1 0 343.177 1.463 50 0 EDAARM CO[C@@H]1CCC[C@@H]1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000130012945 205221007 /nfs/dbraw/zinc/22/10/07/205221007.db2.gz XGTJEFLAYIKWIE-UONOGXRCSA-N -1 0 347.440 1.759 50 0 EDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CCCc2nc3ccccc3c(=O)[nH]2)C1 ZINC000237643628 139056740 /nfs/dbraw/zinc/05/67/40/139056740.db2.gz FJIIRNQOJIKADD-GOSISDBHSA-N -1 0 343.383 1.569 50 0 EDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000085431129 304175928 /nfs/dbraw/zinc/17/59/28/304175928.db2.gz LZMUKDFGKJKUTL-YJNKXOJESA-N -1 0 342.395 1.461 50 0 EDAARM COCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(=O)[O-])cc1 ZINC000004162479 205688024 /nfs/dbraw/zinc/68/80/24/205688024.db2.gz ZZPCEVXJWMOFJJ-CYBMUJFWSA-N -1 0 334.328 1.202 50 0 EDAARM Cc1ccc(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000001677526 206311513 /nfs/dbraw/zinc/31/15/13/206311513.db2.gz SQNOPFKSXJGLQI-HNNXBMFYSA-N -1 0 335.381 1.675 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1nc(-c2cccs2)no1 ZINC000268967744 304199615 /nfs/dbraw/zinc/19/96/15/304199615.db2.gz DWTNKXFGHPNSBJ-SECBINFHSA-N -1 0 337.357 1.043 50 0 EDAARM O=C([O-])[C@H]1[C@@H]2C[C@@H]2CN1S(=O)(=O)c1ccc(Br)cc1 ZINC000013401158 304210572 /nfs/dbraw/zinc/21/05/72/304210572.db2.gz UWSISCWAFROVHI-AVPPRXQKSA-N -1 0 346.202 1.543 50 0 EDAARM CC(C)[C@@H](NC(=O)c1ccc(S(=O)(=O)C(F)F)cc1)C(=O)[O-] ZINC000262046513 139246479 /nfs/dbraw/zinc/24/64/79/139246479.db2.gz BEPPROBNXYUWDO-SNVBAGLBSA-N -1 0 335.328 1.522 50 0 EDAARM CC(C)NC(=O)N1CCC[C@H]1C(=O)NC1CCC(C(=O)[O-])CC1 ZINC000262129553 139253389 /nfs/dbraw/zinc/25/33/89/139253389.db2.gz NWHQFNSJKDAVKI-BPCQOVAHSA-N -1 0 325.409 1.328 50 0 EDAARM CCNC(=O)N1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000262175764 139257483 /nfs/dbraw/zinc/25/74/83/139257483.db2.gz LWDQMYOCAKRQFD-UHFFFAOYSA-N -1 0 333.388 1.191 50 0 EDAARM CC(=O)Nc1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])ccc1C ZINC000262624886 139290979 /nfs/dbraw/zinc/29/09/79/139290979.db2.gz DGSKPPQTWWANSZ-AWEZNQCLSA-N -1 0 340.401 1.581 50 0 EDAARM COC[C@@H](C)NC(=O)COc1ccc(C(=O)[O-])cc1Br ZINC000013231612 207366611 /nfs/dbraw/zinc/36/66/11/207366611.db2.gz GLCGUGBOQSGCGQ-MRVPVSSYSA-N -1 0 346.177 1.677 50 0 EDAARM O=C([O-])c1cn(CC(=O)N[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)nn1 ZINC000263349266 139337421 /nfs/dbraw/zinc/33/74/21/139337421.db2.gz OYPAEWCEOPCPKA-DZGCQCFKSA-N -1 0 348.334 1.152 50 0 EDAARM CC(C)[C@@H](NC(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)c1nc(-c2nc[nH]n2)no1 ZINC000263538673 139347002 /nfs/dbraw/zinc/34/70/02/139347002.db2.gz BECBRLJWWRAFJY-DJLDLDEBSA-N -1 0 348.363 1.025 50 0 EDAARM CCc1nncn1CCNC(=O)c1nn(-c2ccc(F)cc2)cc1[O-] ZINC000084404416 257835175 /nfs/dbraw/zinc/83/51/75/257835175.db2.gz JKLKSGXMAXACFD-UHFFFAOYSA-N -1 0 344.350 1.301 50 0 EDAARM Cn1c(=O)[nH]c(=O)c2nc(C=Cc3ccccc3Cl)c(=O)[nH]c21 ZINC000328598098 258041983 /nfs/dbraw/zinc/04/19/83/258041983.db2.gz JZZMVXNPUKMUQR-VOTSOKGWSA-N -1 0 330.731 1.959 50 0 EDAARM CCOc1cc(/C=C/C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OC ZINC000328595535 258042933 /nfs/dbraw/zinc/04/29/33/258042933.db2.gz XUWMRWAXTRABNJ-VUDGCMKMSA-N -1 0 335.356 1.419 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)CCO1 ZINC000328592943 258043586 /nfs/dbraw/zinc/04/35/86/258043586.db2.gz AGRBBYITEJGZSV-NTHKTCTLSA-N -1 0 349.770 1.984 50 0 EDAARM COc1cc(/C=C/C(=O)N2CC[C@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000328590442 258044174 /nfs/dbraw/zinc/04/41/74/258044174.db2.gz STQUOCJZITXONX-JDGPPOGSSA-N -1 0 333.340 1.413 50 0 EDAARM CC(C)N1C[C@H](C(=O)NC[C@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000236595777 258006103 /nfs/dbraw/zinc/00/61/03/258006103.db2.gz QJOJKMLMCORERM-LSDHHAIUSA-N -1 0 332.400 1.303 50 0 EDAARM Cc1conc1[N-]S(=O)(=O)c1cc(C)cc(S(C)(=O)=O)c1C ZINC000269388960 139926041 /nfs/dbraw/zinc/92/60/41/139926041.db2.gz RJOMGUUOIPHPEP-UHFFFAOYSA-N -1 0 344.414 1.804 50 0 EDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)cn1 ZINC000352226585 162061205 /nfs/dbraw/zinc/06/12/05/162061205.db2.gz UYFJYRTYLQEZJM-LBPRGKRZSA-N -1 0 343.314 1.454 50 0 EDAARM O=C(Nc1cccnc1N1CCOCC1)c1s[n-]c(=O)c1Cl ZINC000283128597 273781209 /nfs/dbraw/zinc/78/12/09/273781209.db2.gz ULEOSHODPSAFAU-UHFFFAOYSA-N -1 0 340.792 1.986 50 0 EDAARM C[C@@]1(NC(=O)CCc2ccc(C(=O)[O-])cc2)CCS(=O)(=O)C1 ZINC000299751789 297911524 /nfs/dbraw/zinc/91/15/24/297911524.db2.gz RTSGZMFNYJZUQJ-OAHLLOKOSA-N -1 0 325.386 1.011 50 0 EDAARM Cc1ccc(Cl)c(O[C@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268991086 301595536 /nfs/dbraw/zinc/59/55/36/301595536.db2.gz SPTLUUQQMHJUKS-PWSUYJOCSA-N -1 0 327.764 1.728 50 0 EDAARM Cc1ccc(N2CCN(C(=O)c3nn(C)cc3C(=O)[O-])C[C@@H]2C)cc1 ZINC000020615143 301628532 /nfs/dbraw/zinc/62/85/32/301628532.db2.gz ORMNPOIJDAWREE-ZDUSSCGKSA-N -1 0 342.399 1.778 50 0 EDAARM Cc1nc2c(c(N3CCCC3)n1)CCN(C(=O)c1cc(=O)[nH][n-]1)C2 ZINC000071711992 302647609 /nfs/dbraw/zinc/64/76/09/302647609.db2.gz DNUFLFPNANPARR-UHFFFAOYSA-N -1 0 328.376 1.012 50 0 EDAARM O=C([O-])[C@H]1[C@@H]2CN(C(=O)Cc3ccc(NC(=O)C4CC4)cc3)C[C@@H]21 ZINC000426360065 447423965 /nfs/dbraw/zinc/42/39/65/447423965.db2.gz DUYRXHCXRNVFIX-FOLVSLTJSA-N -1 0 328.368 1.367 50 0 EDAARM CCOc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)[O-])CC3)C2=O)cc1 ZINC000000048998 440795665 /nfs/dbraw/zinc/79/56/65/440795665.db2.gz JKCKXRJJJHZJBR-HNNXBMFYSA-N -1 0 346.383 1.514 50 0 EDAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)oc3c2)c1 ZINC000002235666 440858153 /nfs/dbraw/zinc/85/81/53/440858153.db2.gz PPIGMJZTTWTBMO-UHFFFAOYSA-N -1 0 334.309 1.620 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]c2ncn(Cc3cccc(C)c3)n2)cn1 ZINC000002804028 440877695 /nfs/dbraw/zinc/87/76/95/440877695.db2.gz WUDHPIRTOIGWEI-UHFFFAOYSA-N -1 0 346.416 1.652 50 0 EDAARM COC(=O)c1ccc(Cn2nc(C(=O)[O-])c3ccccc3c2=O)o1 ZINC000003510303 440902651 /nfs/dbraw/zinc/90/26/51/440902651.db2.gz SSOZBALCTCGMPT-UHFFFAOYSA-N -1 0 328.280 1.523 50 0 EDAARM Cc1coc2cc3oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c3cc12 ZINC000003863614 440907242 /nfs/dbraw/zinc/90/72/42/440907242.db2.gz BGTGNWZJUJKHEU-UHFFFAOYSA-N -1 0 329.308 1.899 50 0 EDAARM O=C1c2ccccc2-c2ncnc3c(S(=O)(=O)[O-])cc(O)c1c23 ZINC000004016083 440909509 /nfs/dbraw/zinc/90/95/09/440909509.db2.gz FBXWZGUXNBEQGN-UHFFFAOYSA-N -1 0 328.305 1.794 50 0 EDAARM CCC[C@H](NC(=O)Cc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000004064681 440910561 /nfs/dbraw/zinc/91/05/61/440910561.db2.gz BURPPJJGQCWDGP-ZDUSSCGKSA-N -1 0 333.340 1.719 50 0 EDAARM COC(=O)[C@H](NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])c1ccccc1OC ZINC000004599630 440922990 /nfs/dbraw/zinc/92/29/90/440922990.db2.gz PCDSHAPUCMZHDS-SLEUVZQESA-N -1 0 349.383 1.917 50 0 EDAARM Cc1c(NC(=O)C[C@H](C)CC(=O)[O-])c(=O)n(-c2ccccc2)n1C ZINC000004784808 440925751 /nfs/dbraw/zinc/92/57/51/440925751.db2.gz ZXZVTZSLESCWMA-NSHDSACASA-N -1 0 331.372 1.924 50 0 EDAARM Cc1nnc(SCC(=O)Nc2ccc3c(c2)OCCO3)[n-]c1=O ZINC000005045256 440935878 /nfs/dbraw/zinc/93/58/78/440935878.db2.gz DOPSGGZIYSJQEW-UHFFFAOYSA-N -1 0 334.357 1.388 50 0 EDAARM CC[C@H](C)[C@H](NC(=O)[C@@H](C)n1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000006908006 441025070 /nfs/dbraw/zinc/02/50/70/441025070.db2.gz HVAJXHGXQQGHGI-CWSCBRNRSA-N -1 0 347.371 1.279 50 0 EDAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)n1 ZINC000057280256 441104482 /nfs/dbraw/zinc/10/44/82/441104482.db2.gz XCBNKNAMRYCXEB-UHFFFAOYSA-N -1 0 345.424 2.445 50 0 EDAARM C[C@H](NC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(=O)[O-] ZINC000009547447 441106585 /nfs/dbraw/zinc/10/65/85/441106585.db2.gz UCXYWOQJWKTIHI-NSHDSACASA-N -1 0 344.371 1.108 50 0 EDAARM O=C([O-])CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 ZINC000008156831 441084812 /nfs/dbraw/zinc/08/48/12/441084812.db2.gz OXRTVTQJVJKIIY-ZDUSSCGKSA-N -1 0 346.408 1.680 50 0 EDAARM Cc1nn(C)c(C)c1CCc1nc(-c2ccco2)nn1CC(=O)[O-] ZINC000097657374 441143098 /nfs/dbraw/zinc/14/30/98/441143098.db2.gz RSDSFONPWOBMNH-UHFFFAOYSA-N -1 0 329.360 1.758 50 0 EDAARM NC(=O)c1ccc([N-]S(=O)(=O)c2cnn(-c3ccccc3)c2)cc1 ZINC000058331942 441181124 /nfs/dbraw/zinc/18/11/24/441181124.db2.gz ZJNPURYOGZIIKO-UHFFFAOYSA-N -1 0 342.380 1.772 50 0 EDAARM O=C(c1cc2c(cc1O)CCCC2)N1CCC2(CC1)NC(=O)NC2=O ZINC000058369475 441185887 /nfs/dbraw/zinc/18/58/87/441185887.db2.gz PZHHQQUNQNNYCI-UHFFFAOYSA-N -1 0 343.383 1.085 50 0 EDAARM COc1cc2c(cc1/C=C1\SC(=O)N(CC(=O)[O-])C1=O)OCO2 ZINC000013511481 441158909 /nfs/dbraw/zinc/15/89/09/441158909.db2.gz KYROCLZZADEPQF-JYOAFUTRSA-N -1 0 337.309 1.545 50 0 EDAARM CCn1c2ccc(S(=O)(=O)[N-]c3cccc(C)n3)cc2oc1=O ZINC000072265360 441210208 /nfs/dbraw/zinc/21/02/08/441210208.db2.gz MTWLTEXTLJOIDK-UHFFFAOYSA-N -1 0 333.369 2.119 50 0 EDAARM CSc1ccc(N2C[C@H](C(=O)NCCCC(=O)[O-])CC2=O)cc1 ZINC000072291205 441222974 /nfs/dbraw/zinc/22/29/74/441222974.db2.gz GHWVTVXFALZYOS-LLVKDONJSA-N -1 0 336.413 1.742 50 0 EDAARM CC(C)(C)NS(=O)(=O)c1ccc(N2C[C@H](C(=O)[O-])CC2=O)cc1 ZINC000020204083 441263079 /nfs/dbraw/zinc/26/30/79/441263079.db2.gz NDGGVNFDLVXYJO-SNVBAGLBSA-N -1 0 340.401 1.201 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2cc3n(c2)CCN(C)C3=O)cc1C ZINC000065254662 441410348 /nfs/dbraw/zinc/41/03/48/441410348.db2.gz GQYDKZLWYICMDU-UHFFFAOYSA-N -1 0 333.413 1.991 50 0 EDAARM CCc1nnc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)s1 ZINC000027756996 441413355 /nfs/dbraw/zinc/41/33/55/441413355.db2.gz WGQBFIGBPUTMPP-UHFFFAOYSA-N -1 0 327.387 1.673 50 0 EDAARM COc1ccc([N-]S(=O)(=O)c2cnc3c(c2)c(C)nn3C)cn1 ZINC000065562773 441459386 /nfs/dbraw/zinc/45/93/86/441459386.db2.gz UULMTFPGHQKMHX-UHFFFAOYSA-N -1 0 333.373 1.481 50 0 EDAARM COc1cc([N-]S(=O)(=O)c2c[nH]nc2C)cc(OC)c1OC ZINC000065588202 441464743 /nfs/dbraw/zinc/46/47/43/441464743.db2.gz DASMHFCDAFCYRG-UHFFFAOYSA-N -1 0 327.362 1.545 50 0 EDAARM Cn1cc(S(=O)(=O)[N-]c2c3c(nn2-c2ccccc2)CCC3)cn1 ZINC000066250442 441516298 /nfs/dbraw/zinc/51/62/98/441516298.db2.gz 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O=C([O-])[C@H]1C[C@@H]1C(=O)NC1CCN(C(=O)CCc2ccccc2)CC1 ZINC000262668197 139294931 /nfs/dbraw/zinc/29/49/31/139294931.db2.gz WMVVABLASFYABI-HOTGVXAUSA-N -1 0 344.411 1.447 50 0 EDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000262676823 139295667 /nfs/dbraw/zinc/29/56/67/139295667.db2.gz YQCPZKDCKQOOMG-CHWSQXEVSA-N -1 0 338.385 1.034 50 0 EDAARM O=C([O-])[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ncn(-c2ccccc2)n1 ZINC000262832313 139306694 /nfs/dbraw/zinc/30/66/94/139306694.db2.gz CGQSLUIWXIAHAT-UBHSHLNASA-N -1 0 326.356 1.593 50 0 EDAARM Cc1cc(C(=O)N[C@H](C)c2cnn(C)c2)cc(C)c1OCC(=O)[O-] ZINC000262841659 139307189 /nfs/dbraw/zinc/30/71/89/139307189.db2.gz SGDUBENCOWMXHA-GFCCVEGCSA-N -1 0 331.372 1.991 50 0 EDAARM O=C([O-])[C@@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(=O)[nH]n1 ZINC000263168546 139326311 /nfs/dbraw/zinc/32/63/11/139326311.db2.gz WARPUJLSEXXMMP-SWLSCSKDSA-N -1 0 341.367 1.463 50 0 EDAARM COc1cccc(CC(=O)N2CCC([C@@H]3OCC[C@@H]3C(=O)[O-])CC2)c1 ZINC000263168314 139326180 /nfs/dbraw/zinc/32/61/80/139326180.db2.gz KIYSOCFELCACRE-WMZOPIPTSA-N -1 0 347.411 1.966 50 0 EDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000299750959 299560731 /nfs/dbraw/zinc/56/07/31/299560731.db2.gz OWQYJKYOUPIMLC-LXFSFDBISA-N -1 0 325.405 1.815 50 0 EDAARM Cc1cc(N2C[C@H](C(=O)N3CCC[C@@H]3C(=O)[O-])CC2=O)ccc1F ZINC000263331180 139336213 /nfs/dbraw/zinc/33/62/13/139336213.db2.gz VBEYCMPFVUFUCL-BXUZGUMPSA-N -1 0 334.347 1.563 50 0 EDAARM Cc1cc(N2C[C@@H](C(=O)N3CCC[C@H]3C(=O)[O-])CC2=O)ccc1F ZINC000263483611 139344601 /nfs/dbraw/zinc/34/46/01/139344601.db2.gz VBEYCMPFVUFUCL-FZMZJTMJSA-N -1 0 334.347 1.563 50 0 EDAARM COc1cc(/C=C\C(=O)N(CC(=O)[O-])C(C)C)cc2c1OCCO2 ZINC000493431062 255207795 /nfs/dbraw/zinc/20/77/95/255207795.db2.gz ZGNZPEUJVUXWIA-PLNGDYQASA-N -1 0 335.356 1.801 50 0 EDAARM COC(=O)c1cn([C@H](Cc2ccccc2)C(=O)[O-])cc2c(=O)[nH]nc1-2 ZINC000524729595 257843438 /nfs/dbraw/zinc/84/34/38/257843438.db2.gz ZUFUEQJAOHLMAA-CYBMUJFWSA-N -1 0 341.323 1.744 50 0 EDAARM O=C([O-])CCN(C(=O)Cn1ncc2ccccc21)C1CCOCC1 ZINC000238067311 257944105 /nfs/dbraw/zinc/94/41/05/257944105.db2.gz IFTIMYFUOUHEMD-UHFFFAOYSA-N -1 0 331.372 1.519 50 0 EDAARM CC(C)Sc1n[nH]c([N-]S(=O)(=O)c2cn3c(n2)CCCC3)n1 ZINC000328587149 258046295 /nfs/dbraw/zinc/04/62/95/258046295.db2.gz WHVCLCOAIPUHCZ-UHFFFAOYSA-N -1 0 342.450 1.639 50 0 EDAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000299414081 258010852 /nfs/dbraw/zinc/01/08/52/258010852.db2.gz RQKCVLDWHGDAKP-UHFFFAOYSA-N -1 0 345.804 1.680 50 0 EDAARM O=C([O-])[C@@]12CN(C(=O)c3cn[nH]n3)C[C@@H]1C[C@@H](c1ccccc1)CC2 ZINC000299778084 258087511 /nfs/dbraw/zinc/08/75/11/258087511.db2.gz FQVTXKHJWNJRSA-DEYYWGMASA-N -1 0 340.383 1.915 50 0 EDAARM COCCOc1c(Cl)cccc1[N-]S(=O)(=O)c1cn[nH]c1 ZINC000058243960 292602260 /nfs/dbraw/zinc/60/22/60/292602260.db2.gz VVFHOFKYRSEBAM-UHFFFAOYSA-N -1 0 331.781 1.889 50 0 EDAARM CC(C)[C@@H]1CN(C(=O)c2cnc(N)nc2C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000091807031 280007963 /nfs/dbraw/zinc/00/79/63/280007963.db2.gz COLOEUNUJSYAKT-DTWKUNHWSA-N -1 0 346.309 1.506 50 0 EDAARM CN(C(=O)c1ccc(C(=O)[O-])s1)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000262395515 288920736 /nfs/dbraw/zinc/92/07/36/288920736.db2.gz LHQDMCLJONGANE-CABZTGNLSA-N -1 0 345.442 1.874 50 0 EDAARM CN(CC(=O)[O-])C(=O)[C@H]1CCC(=O)N(C)[C@H]1c1cccc(Cl)c1 ZINC000153097498 289486828 /nfs/dbraw/zinc/48/68/28/289486828.db2.gz HOILJJTZXBNWLX-WFASDCNBSA-N -1 0 338.791 1.793 50 0 EDAARM Cn1cc([C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)c2ccc(C(=O)[O-])cc21 ZINC000036367199 302920634 /nfs/dbraw/zinc/92/06/34/302920634.db2.gz MTRZWZRJPXACCF-HNNXBMFYSA-N -1 0 331.372 1.250 50 0 EDAARM NC(=O)COc1cccc(C(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)c1 ZINC000299751209 303253177 /nfs/dbraw/zinc/25/31/77/303253177.db2.gz PYMUTIDNXBFOGA-UGFHNGPFSA-N -1 0 346.383 1.409 50 0 EDAARM NC(=O)NCc1ccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cc1 ZINC000268937124 303279821 /nfs/dbraw/zinc/27/98/21/303279821.db2.gz ICQFDTBIEYIBMP-ZNMIVQPWSA-N -1 0 345.399 1.713 50 0 EDAARM CO[C@H](CS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-])c1ccc(F)cc1 ZINC000530139510 305932360 /nfs/dbraw/zinc/93/23/60/305932360.db2.gz JOVNGQPWHQBKRH-ZIAGYGMSSA-N -1 0 345.392 1.782 50 0 EDAARM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2/C=C\c2ccccc2)nn1 ZINC000556140892 306208231 /nfs/dbraw/zinc/20/82/31/306208231.db2.gz WCZUUPZDXDIJJW-QIAWRQBBSA-N -1 0 326.356 1.681 50 0 EDAARM CC(C)[C@H](NC(=O)[C@H](C(C)C)n1nnc2ccccc2c1=O)C(=O)[O-] ZINC000002439554 440863825 /nfs/dbraw/zinc/86/38/25/440863825.db2.gz SXQQHHFQRVMVEQ-KBPBESRZSA-N -1 0 346.387 1.214 50 0 EDAARM CCN1CCN(C(=O)Cc2c3ccccc3n(C)c2C(=O)[O-])CC1 ZINC000003660309 440906684 /nfs/dbraw/zinc/90/66/84/440906684.db2.gz RPVXKKPDDVPZCP-UHFFFAOYSA-N -1 0 329.400 1.583 50 0 EDAARM COc1ccc([C@@H](C)N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)cc1 ZINC000003882427 440907207 /nfs/dbraw/zinc/90/72/07/440907207.db2.gz REKWHZMALYIKHA-FRRILYKYSA-N -1 0 329.352 1.623 50 0 EDAARM O=C(Nc1cccc(O)c1)C(=O)C1=S([O-])c2ccccc2NC1=O ZINC000004671321 440925069 /nfs/dbraw/zinc/92/50/69/440925069.db2.gz HLDPLTYQWPNUJU-JBEBIEQOSA-N -1 0 344.348 1.028 50 0 EDAARM Cc1nc2sccn2c(=O)c1S(=O)(=O)[N-]CCc1ccccc1 ZINC000006822929 441017583 /nfs/dbraw/zinc/01/75/83/441017583.db2.gz ZEIJCYSGSXNDLH-UHFFFAOYSA-N -1 0 349.437 1.585 50 0 EDAARM C[C@H](SCC(=O)N(CCC(N)=O)c1ccc(F)cc1)C(=O)[O-] ZINC000012796540 441143307 /nfs/dbraw/zinc/14/33/07/441143307.db2.gz AYNUOVVVKLBOJW-VIFPVBQESA-N -1 0 328.365 1.240 50 0 EDAARM COc1cc(C(=O)[O-])cc(C(=O)N2CCC3(CC2)OCCC[C@H]3O)c1 ZINC000097759219 441144728 /nfs/dbraw/zinc/14/47/28/441144728.db2.gz OZMPLNNWBLRMCP-OAHLLOKOSA-N -1 0 349.383 1.540 50 0 EDAARM Cn1nc(CN2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c2c1cccc2Cl ZINC000097773143 441145026 /nfs/dbraw/zinc/14/50/26/441145026.db2.gz JTRJXYKDZSXEAX-AWEZNQCLSA-N -1 0 345.790 1.961 50 0 EDAARM COc1cc(C(=S)N2CCSCC2)ccc1OCC(=O)[O-] ZINC000013690798 441164684 /nfs/dbraw/zinc/16/46/84/441164684.db2.gz OZDLQVLOCFMCRX-UHFFFAOYSA-N -1 0 327.427 1.883 50 0 EDAARM Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NCc1nnc2ccccn21 ZINC000013249233 441155899 /nfs/dbraw/zinc/15/58/99/441155899.db2.gz OQBYNQYSYOSKJZ-UHFFFAOYSA-N -1 0 346.368 1.214 50 0 EDAARM Cc1cc2n(n1)CCN(c1nccc(-c3cc(C(=O)[O-])ccn3)n1)C2 ZINC000072476487 441232335 /nfs/dbraw/zinc/23/23/35/441232335.db2.gz DZTHLODSRSZCME-UHFFFAOYSA-N -1 0 336.355 1.762 50 0 EDAARM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)[C@@]1(C)CC1(Cl)Cl ZINC000071905687 441192139 /nfs/dbraw/zinc/19/21/39/441192139.db2.gz UZAPVCHGFXYJQU-CYBMUJFWSA-N -1 0 343.214 1.840 50 0 EDAARM O=C(Cn1nc(-c2ccccc2)ccc1=O)[N-]O[C@@H]1CCCCO1 ZINC000058419473 441192790 /nfs/dbraw/zinc/19/27/90/441192790.db2.gz PUQRVAQNHLSVSD-QGZVFWFLSA-N -1 0 329.356 1.485 50 0 EDAARM CCOc1ccccc1N1C(=O)C[C@H](N2CCC(C(=O)[O-])CC2)C1=O ZINC000018240790 441250590 /nfs/dbraw/zinc/25/05/90/441250590.db2.gz BHJAYXCIEJPRPY-AWEZNQCLSA-N -1 0 346.383 1.514 50 0 EDAARM CC(C)n1c([O-])c([C@H]2[NH2+]CCc3c4ccccc4[nH]c32)c(=O)[nH]c1=O ZINC000020610633 441264253 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CCc1cccc(NC(=O)CCC(=O)N2CCOC[C@H]2CC(=O)[O-])c1 ZINC000055569062 441655307 /nfs/dbraw/zinc/65/53/07/441655307.db2.gz NSGWCOAIKSBBAX-OAHLLOKOSA-N -1 0 348.399 1.670 50 0 EDAARM COCC[C@]1(C(=O)[O-])CCCN(C(=O)CCc2c(C)n[nH]c2C)C1 ZINC000091304526 441693673 /nfs/dbraw/zinc/69/36/73/441693673.db2.gz UIDVJRCHJUPGAA-QGZVFWFLSA-N -1 0 337.420 1.689 50 0 EDAARM Cc1ccsc1C(=O)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268048 441719802 /nfs/dbraw/zinc/71/98/02/441719802.db2.gz DIHBSWCEKZPGPT-UHFFFAOYSA-N -1 0 339.394 1.946 50 0 EDAARM CC(=O)c1ccc(N2CCC3(CCC(=O)N(CC(=O)[O-])C3)CC2)nc1 ZINC000091657214 441726841 /nfs/dbraw/zinc/72/68/41/441726841.db2.gz KXGYNBQGSOAMLV-UHFFFAOYSA-N -1 0 345.399 1.578 50 0 EDAARM CCc1cc(=O)[nH]c(-c2cccc([N-]S(=O)(=O)c3cn[nH]c3)c2)n1 ZINC000057118629 441787845 /nfs/dbraw/zinc/78/78/45/441787845.db2.gz LYQCIWFADCFCNE-UHFFFAOYSA-N -1 0 345.384 1.523 50 0 EDAARM C[C@@H](CN(C)C(=O)c1ccc(F)c(Br)c1)c1nnn[n-]1 ZINC000124388355 441923651 /nfs/dbraw/zinc/92/36/51/441923651.db2.gz 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ZINC000585120894 448699932 /nfs/dbraw/zinc/69/99/32/448699932.db2.gz UWRQQMMFKFUOQJ-UHFFFAOYSA-N -1 0 339.403 1.278 50 0 EDAARM C[C@]1(CNC(=O)[C@H]2CC(C(=O)[O-])=NN2c2ccccc2)CCOC1 ZINC000585134439 448705982 /nfs/dbraw/zinc/70/59/82/448705982.db2.gz TUELLSHMDRXAKG-RHSMWYFYSA-N -1 0 331.372 1.249 50 0 EDAARM O=C([C@@H]1C[C@H]1c1ccccc1Cl)N1CCOC[C@H]1c1nnn[n-]1 ZINC000585134402 448706048 /nfs/dbraw/zinc/70/60/48/448706048.db2.gz QQXHROSMSCEDMP-LOWVWBTDSA-N -1 0 333.779 1.557 50 0 EDAARM Cc1c[nH]cc1C(=O)N1CCc2nc([N-]S(C)(=O)=O)sc2C1 ZINC000574391764 448862715 /nfs/dbraw/zinc/86/27/15/448862715.db2.gz OQMNQILTJGJSTE-UHFFFAOYSA-N -1 0 340.430 1.350 50 0 EDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1ccn(C(C)(C)C(=O)[O-])n1 ZINC000659204848 453669097 /nfs/dbraw/zinc/66/90/97/453669097.db2.gz WBRHRCVNKBNSAC-SECBINFHSA-N -1 0 333.392 1.795 50 0 EDAARM Cc1c(/C=C\C(=O)[N-]S(=O)(=O)CCc2ccccc2)cnn1C ZINC000221981953 486903254 /nfs/dbraw/zinc/90/32/54/486903254.db2.gz BNDXRLCNBPHEMN-HJWRWDBZSA-N -1 0 333.413 1.430 50 0 EDAARM CC(=O)N(CC(=O)[O-])C[C@@H]1CN(C(=O)c2ccc(C)cc2C)CCO1 ZINC000681943429 487262311 /nfs/dbraw/zinc/26/23/11/487262311.db2.gz WJKQXCNCYJXMGN-HNNXBMFYSA-N -1 0 348.399 1.078 50 0 EDAARM CC(C)Cc1cc(CNS(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)on1 ZINC000670472092 486565031 /nfs/dbraw/zinc/56/50/31/486565031.db2.gz ARWOZJHHICBLNJ-NSHDSACASA-N -1 0 345.421 1.004 50 0 EDAARM COc1ccccc1N1C[C@H](C(=O)N2CCC[C@@H]2C(=O)[O-])CC1=O ZINC000263334425 524578679 /nfs/dbraw/zinc/57/86/79/524578679.db2.gz VWNVTIPQDFUOKJ-DGCLKSJQSA-N -1 0 332.356 1.124 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)c1cc(-c2cccc(Cl)c2)no1 ZINC000262540688 526333308 /nfs/dbraw/zinc/33/33/08/526333308.db2.gz UZLXLULODKBSHV-GFCCVEGCSA-N -1 0 336.731 1.921 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)C2(c3ccccc3)CCOCC2)CCO1 ZINC000262772742 527630726 /nfs/dbraw/zinc/63/07/26/527630726.db2.gz MODFEJQYFCVHQT-OAHLLOKOSA-N -1 0 333.384 1.437 50 0 EDAARM CN(c1cccnn1)C1CCN(C(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000263433592 536298847 /nfs/dbraw/zinc/29/88/47/536298847.db2.gz OATORBBNZMCEHX-UHFFFAOYSA-N -1 0 340.383 1.916 50 0 EDAARM COc1cccc(S(N)(=O)=O)c1[N-]S(=O)(=O)c1cccs1 ZINC000252478992 537136092 /nfs/dbraw/zinc/13/60/92/537136092.db2.gz AYUNMSVCRSISSH-UHFFFAOYSA-N -1 0 348.427 1.205 50 0 EDAARM O=C([O-])c1ccc(C(=O)N2CCN(C(=O)CC(F)(F)F)CC2)cn1 ZINC000888092649 591022767 /nfs/dbraw/zinc/02/27/67/591022767.db2.gz QYQFTEVBFGBZES-UHFFFAOYSA-N -1 0 345.277 1.017 50 0 EDAARM Cn1ncc(C2CC2)c1S(=O)(=O)NCc1cccc(C(=O)[O-])c1 ZINC000888100715 591029763 /nfs/dbraw/zinc/02/97/63/591029763.db2.gz KLDDSHUTDMZKRD-UHFFFAOYSA-N -1 0 335.385 1.474 50 0 EDAARM O=C([O-])CN(C1CCOCC1)S(=O)(=O)c1ccccc1Cl ZINC000833248762 600990855 /nfs/dbraw/zinc/99/08/55/600990855.db2.gz DCFUREJBYUGUOK-UHFFFAOYSA-N -1 0 333.793 1.594 50 0 EDAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000101000816 219113464 /nfs/dbraw/zinc/11/34/64/219113464.db2.gz DNUGGEMJARCRKS-YPMHNXCESA-N -1 0 344.327 1.078 50 0 EDAARM CC[C@@H](C)C1C(=O)N=C(SCC(=O)NCc2ccco2)N=C1[O-] ZINC000005129500 539678654 /nfs/dbraw/zinc/67/86/54/539678654.db2.gz VDSAPOCDFOHGSA-SECBINFHSA-N -1 0 337.401 1.991 50 0 EDAARM O=C([O-])CCCCCNC(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000002095716 304047041 /nfs/dbraw/zinc/04/70/41/304047041.db2.gz NARDOPZUVMARJH-KGLIPLIRSA-N -1 0 347.415 1.622 50 0 EDAARM Cn1nccc1CNS(=O)(=O)c1ccc(C(=O)[O-])c(Cl)c1 ZINC000184926957 235534265 /nfs/dbraw/zinc/53/42/65/235534265.db2.gz GUZBQPBRKVYHBB-UHFFFAOYSA-N -1 0 329.765 1.250 50 0 EDAARM CCCCN1C(=O)[N-]C(=O)C(=C(CC)NCc2cccnc2)C1=O ZINC000020266577 202036576 /nfs/dbraw/zinc/03/65/76/202036576.db2.gz KXHNSQVVRFYMAW-BUHFOSPRSA-N -1 0 330.388 1.714 50 0 EDAARM CCCOC(=O)c1ccc(NC(=O)c2nn(C)cc2C(=O)[O-])cc1 ZINC000020616070 202051810 /nfs/dbraw/zinc/05/18/10/202051810.db2.gz QZSJFEBONKBWOG-UHFFFAOYSA-N -1 0 331.328 1.937 50 0 EDAARM Cc1c([N-]S(=O)(=O)c2ccc(C)cc2C)c(-n2cnnc2)nn1C ZINC000021777698 202069738 /nfs/dbraw/zinc/06/97/38/202069738.db2.gz 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COc1cc2nc(O)c(C(=O)NC[C@@H]3CCCO3)c([O-])c2cc1OC ZINC000008995737 441101416 /nfs/dbraw/zinc/10/14/16/441101416.db2.gz OPJPQQMYUHXZSS-VIFPVBQESA-N -1 0 348.355 1.160 50 0 EDAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)N[C@H](C)C(=O)[O-] ZINC000008575941 441096232 /nfs/dbraw/zinc/09/62/32/441096232.db2.gz UWMJBXDRDWMJNM-SNVBAGLBSA-N -1 0 333.340 1.632 50 0 EDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1Cc1noc(-c2ccccc2)n1 ZINC000097813854 441144951 /nfs/dbraw/zinc/14/49/51/441144951.db2.gz LIXRAFYCIDNTTR-CYBMUJFWSA-N -1 0 325.328 1.471 50 0 EDAARM CCc1noc(C)c1C(=O)OCC(=O)[N-]C(=O)c1ccccc1OC ZINC000012868016 441146212 /nfs/dbraw/zinc/14/62/12/441146212.db2.gz GMAJTYYTLFSSJU-UHFFFAOYSA-N -1 0 346.339 1.667 50 0 EDAARM CCC[C@H](NC(=O)NCC(=O)N1c2ccccc2CC[C@@H]1C)C(=O)[O-] ZINC000012865743 441146237 /nfs/dbraw/zinc/14/62/37/441146237.db2.gz VSRODSJJMLGNHP-JSGCOSHPSA-N -1 0 347.415 1.907 50 0 EDAARM O=C(c1ccccc1Cl)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990590 441173946 /nfs/dbraw/zinc/17/39/46/441173946.db2.gz AXCLKLSOIIWEOP-UHFFFAOYSA-N -1 0 328.759 1.875 50 0 EDAARM COc1ccccc1CC(=O)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102989950 441174462 /nfs/dbraw/zinc/17/44/62/441174462.db2.gz RSCQIYCZWSWKQC-UHFFFAOYSA-N -1 0 338.367 1.159 50 0 EDAARM CCc1nnc(NC(=O)c2c([O-])c3cccc4c3n(c2=O)CC4)s1 ZINC000100621330 441152172 /nfs/dbraw/zinc/15/21/72/441152172.db2.gz NPSVKKJBKRZBLE-UHFFFAOYSA-N -1 0 342.380 1.929 50 0 EDAARM CC[C@@H]1CCCCN1C(=O)Cn1cnc2oc(C)c(C(=O)[O-])c2c1=O ZINC000013055963 441152494 /nfs/dbraw/zinc/15/24/94/441152494.db2.gz JYKPRYVDZPBZKK-LLVKDONJSA-N -1 0 347.371 1.787 50 0 EDAARM C[C@@H]1CN(C(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)CCO1 ZINC000064487023 441380898 /nfs/dbraw/zinc/38/08/98/441380898.db2.gz MWUXGGNXPNINJN-SECBINFHSA-N -1 0 332.809 1.572 50 0 EDAARM O=C([O-])c1ccc(CNC(=O)Cn2ncc3ccccc3c2=O)cc1 ZINC000049546663 441358475 /nfs/dbraw/zinc/35/84/75/441358475.db2.gz LWAMROXPLKJXEB-UHFFFAOYSA-N -1 0 337.335 1.411 50 0 EDAARM Cc1cc(C[C@H](C)Nc2nc(N)nc3ccc(C(=O)[O-])cc32)n[nH]1 ZINC000065432110 441432613 /nfs/dbraw/zinc/43/26/13/441432613.db2.gz AUFNCDJXRNWOTR-QMMMGPOBSA-N -1 0 326.360 1.985 50 0 EDAARM NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1NCc1ccco1 ZINC000065743077 441480987 /nfs/dbraw/zinc/48/09/87/441480987.db2.gz UXOOVYKVEXGCSH-UHFFFAOYSA-N -1 0 330.749 1.891 50 0 in-vitro EDAARM O=C([O-])[C@@H]1COCCN1C(=O)COc1ccc(Br)cc1 ZINC000088373569 441506182 /nfs/dbraw/zinc/50/61/82/441506182.db2.gz MNGYFENWMPPOIB-NSHDSACASA-N -1 0 344.161 1.140 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(N2CCCCC2)cn1 ZINC000089532557 441558353 /nfs/dbraw/zinc/55/83/53/441558353.db2.gz BEEAMSCLNMJAKC-UHFFFAOYSA-N -1 0 336.417 2.478 50 0 EDAARM O=C([O-])CCCCCCNC(=O)[C@H]1CC(=O)N(Cc2ccco2)C1 ZINC000089797747 441580012 /nfs/dbraw/zinc/58/00/12/441580012.db2.gz NQYHVPVXBPHHJW-ZDUSSCGKSA-N -1 0 336.388 1.779 50 0 EDAARM Cc1ccc(CN2C[C@@H](C(=O)N3CCC(C(=O)[O-])CC3)CC2=O)cc1 ZINC000067244993 441620772 /nfs/dbraw/zinc/62/07/72/441620772.db2.gz ALBVGDOOCCCZGW-INIZCTEOSA-N -1 0 344.411 1.667 50 0 EDAARM O=C([O-])CCNC(=O)Cn1ccc2c1cccc2Br ZINC000040287813 441621160 /nfs/dbraw/zinc/62/11/60/441621160.db2.gz PYEVRPSUQCBQGL-UHFFFAOYSA-N -1 0 325.162 1.995 50 0 EDAARM Cc1nc2cc(C(=O)N[C@H](C(=O)[O-])c3c(C)n[nH]c3C)ccc2[nH]1 ZINC000067967749 441701194 /nfs/dbraw/zinc/70/11/94/441701194.db2.gz FKNBHZIBLKQYJO-AWEZNQCLSA-N -1 0 327.344 1.767 50 0 EDAARM Cc1ccccc1[C@@H]1CN(C(=O)c2ccc(=O)n(C)n2)C[C@H]1C(=O)[O-] ZINC000091745896 441734170 /nfs/dbraw/zinc/73/41/70/441734170.db2.gz HVDOZLDVUIRNMT-UONOGXRCSA-N -1 0 341.367 1.029 50 0 EDAARM COCc1ccc(C(=O)N2C[C@@H](c3cccnc3)[C@H](C(=O)[O-])C2)o1 ZINC000091746722 441735036 /nfs/dbraw/zinc/73/50/36/441735036.db2.gz PWXMCIUIDODZIJ-UONOGXRCSA-N -1 0 330.340 1.761 50 0 EDAARM Cc1n[nH]c(CCC(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)c1C ZINC000091678647 441728091 /nfs/dbraw/zinc/72/80/91/441728091.db2.gz AVTSJGPPARAQPL-LSDHHAIUSA-N -1 0 342.399 1.681 50 0 EDAARM COCCN1CCN([C@@H](C(=O)[O-])c2cc(Cl)ccc2OC)CC1 ZINC000095357971 441912060 /nfs/dbraw/zinc/91/20/60/441912060.db2.gz FDSTYIMLWAYRMF-OAHLLOKOSA-N -1 0 342.823 1.738 50 0 EDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)c1cccc(-n2cccn2)c1 ZINC000095384729 441917527 /nfs/dbraw/zinc/91/75/27/441917527.db2.gz QIXNOKJDVPFVPE-INIZCTEOSA-N -1 0 336.351 1.693 50 0 EDAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)C3=NNC(=O)CC3)C2)cc1 ZINC000095388839 441918179 /nfs/dbraw/zinc/91/81/79/441918179.db2.gz ZNOODWMUCTUMQL-CYBMUJFWSA-N -1 0 329.356 1.357 50 0 EDAARM O=C([O-])c1ccc(CCNC(=O)C2(O)Cc3ccccc3C2)cc1 ZINC000095463845 441931728 /nfs/dbraw/zinc/93/17/28/441931728.db2.gz PLGOTAQHKZBURN-UHFFFAOYSA-N -1 0 325.364 1.573 50 0 EDAARM O=C([O-])C[C@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)s1 ZINC000095463981 441932162 /nfs/dbraw/zinc/93/21/62/441932162.db2.gz TZANIWVGQIJQSX-ZETCQYMHSA-N -1 0 327.749 1.843 50 0 EDAARM CSc1ccc(CC(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])cc1 ZINC000095522265 441947735 /nfs/dbraw/zinc/94/77/35/441947735.db2.gz FZWQZOKGEHXYFY-AWEZNQCLSA-N -1 0 331.397 1.712 50 0 EDAARM COCCN(CCC(=O)[O-])C(=O)Cc1ccc(OC(F)F)cc1 ZINC000095970050 441964470 /nfs/dbraw/zinc/96/44/70/441964470.db2.gz BEWWLULSBYSFGS-UHFFFAOYSA-N -1 0 331.315 1.780 50 0 EDAARM CO[C@H]1CCN(c2ccc([N-]S(=O)(=O)c3cn(C)cn3)cc2)C1 ZINC000096122381 442040048 /nfs/dbraw/zinc/04/00/48/442040048.db2.gz MFEDOWJDIOHRRF-AWEZNQCLSA-N -1 0 336.417 1.446 50 0 EDAARM CC(C)c1nc(S(=O)(=O)[N-]c2ccccc2-n2cncn2)c[nH]1 ZINC000096447398 442134308 /nfs/dbraw/zinc/13/43/08/442134308.db2.gz AIIROBBVZFLJGP-UHFFFAOYSA-N -1 0 332.389 1.915 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)C1(c2ccc(F)cc2)CCC1 ZINC000152479385 442217875 /nfs/dbraw/zinc/21/78/75/442217875.db2.gz JOJQKFSSUOQNKC-UHFFFAOYSA-N -1 0 335.360 1.543 50 0 EDAARM C[C@H](C(=O)[O-])S(=O)(=O)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000170076649 442228720 /nfs/dbraw/zinc/22/87/20/442228720.db2.gz RWEOVISPLOERGZ-NXEZZACHSA-N -1 0 347.820 1.747 50 0 EDAARM CC[C@@]1(C)NC(=O)N([N-]C(=O)c2ccc3ccccc3c2O)C1=O ZINC000170615757 442236791 /nfs/dbraw/zinc/23/67/91/442236791.db2.gz VDAOYKORXXCGRY-QGZVFWFLSA-N -1 0 327.340 1.911 50 0 EDAARM CC1CCC(N2C[C@H](C(=O)N3CCC[C@@H](C(=O)[O-])C3)CC2=O)CC1 ZINC000136127009 442652596 /nfs/dbraw/zinc/65/25/96/442652596.db2.gz LTSGWGKGBZRIIH-PIOWNMBXSA-N -1 0 336.432 1.737 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCn2cnc3ccccc3c2=O)C1 ZINC000265543043 442817142 /nfs/dbraw/zinc/81/71/42/442817142.db2.gz FDOWUBNKXVCWCH-GFCCVEGCSA-N -1 0 329.356 1.110 50 0 EDAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccs1 ZINC000252492719 443032801 /nfs/dbraw/zinc/03/28/01/443032801.db2.gz MTQRVONNUQEGSV-UTLUCORTSA-N -1 0 333.431 1.495 50 0 EDAARM CS(=O)(=O)C[C@@H]1CCCN(Cc2ccccc2OCC(=O)[O-])C1 ZINC000215301696 443055934 /nfs/dbraw/zinc/05/59/34/443055934.db2.gz CORZQPOJOCUUKV-CYBMUJFWSA-N -1 0 341.429 1.407 50 0 EDAARM NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)cc1 ZINC000219891585 443061290 /nfs/dbraw/zinc/06/12/90/443061290.db2.gz DYJATQHSERLCRY-LLVKDONJSA-N -1 0 340.401 1.051 50 0 EDAARM Cc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])cnn1-c1cccc(Cl)c1 ZINC000268974407 443163436 /nfs/dbraw/zinc/16/34/36/443163436.db2.gz IVPHSIXWMXJYGN-CQSZACIVSA-N -1 0 349.774 1.760 50 0 EDAARM Cc1c(C(=O)N2CCOC[C@@H]2C(=O)[O-])cnn1Cc1ccccc1 ZINC000268986455 443166847 /nfs/dbraw/zinc/16/68/47/443166847.db2.gz QISDKAFNAVTGGL-OAHLLOKOSA-N -1 0 329.356 1.165 50 0 EDAARM CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC000269038127 443179710 /nfs/dbraw/zinc/17/97/10/443179710.db2.gz PNBBCDMMJLIMNC-VIFPVBQESA-N -1 0 327.768 1.569 50 0 EDAARM Cc1cccc(Cn2cccc(C(=O)N3CC[C@@H](C(=O)[O-])C3)c2=O)c1 ZINC000237708968 443179824 /nfs/dbraw/zinc/17/98/24/443179824.db2.gz BBONRMRUOZOGBX-OAHLLOKOSA-N -1 0 340.379 1.752 50 0 EDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1cccc(C(F)(F)F)c1=O ZINC000238033448 443192961 /nfs/dbraw/zinc/19/29/61/443192961.db2.gz NBLRSOIUENNMBF-JTQLQIEISA-N -1 0 332.278 1.333 50 0 EDAARM O=C([O-])[C@@H]1CCCCN1C(=O)c1ccc(=O)n(Cc2ccccc2)n1 ZINC000238039862 443193009 /nfs/dbraw/zinc/19/30/09/443193009.db2.gz IRIDBWHENNNCJS-HNNXBMFYSA-N -1 0 341.367 1.371 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CCO1 ZINC000238131368 443195102 /nfs/dbraw/zinc/19/51/02/443195102.db2.gz BNFGFSQBENXVEN-CYBMUJFWSA-N -1 0 335.747 1.451 50 0 EDAARM COc1ccc([C@H](Nc2cncc(C(=O)[O-])n2)[C@H]2C[C@H](O)C2)cn1 ZINC000244734329 443213657 /nfs/dbraw/zinc/21/36/57/443213657.db2.gz NDNDLVJSNPDOHO-PGUXBMHVSA-N -1 0 330.344 1.503 50 0 EDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cn(-c2ccccc2)nn1 ZINC000299751797 444134333 /nfs/dbraw/zinc/13/43/33/444134333.db2.gz RVNPEUFHRYBBMY-KRWDZBQOSA-N -1 0 348.362 1.919 50 0 EDAARM Cc1ccc(S(=O)(=O)CCC(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000299740792 444128693 /nfs/dbraw/zinc/12/86/93/444128693.db2.gz BTCVNTXPQJSIIU-ZDUSSCGKSA-N -1 0 339.413 1.482 50 0 EDAARM C[C@H](C(=O)N[C@@H](Cc1c[nH]c2cc(F)ccc12)C(=O)[O-])n1cccn1 ZINC000097231211 325706397 /nfs/dbraw/zinc/70/63/97/325706397.db2.gz MZTUOFJIHHZOOK-BMIGLBTASA-N -1 0 344.346 1.877 50 0 EDAARM CCOc1ccc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)o1 ZINC000426633859 447482613 /nfs/dbraw/zinc/48/26/13/447482613.db2.gz JEMAQTQUFCPHLN-GFCCVEGCSA-N -1 0 347.371 1.979 50 0 EDAARM Cc1cc(C(=O)N2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)cc(=O)[nH]1 ZINC000426547547 447469546 /nfs/dbraw/zinc/46/95/46/447469546.db2.gz DYXCCQBUHUOUTF-LBPRGKRZSA-N -1 0 344.371 1.397 50 0 EDAARM COC(=O)c1cn([C@H](C(=O)[O-])c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000524734971 447945616 /nfs/dbraw/zinc/94/56/16/447945616.db2.gz VYPGLZLXFOZDLT-ZDUSSCGKSA-N -1 0 327.296 1.549 50 0 EDAARM CCCCc1nc(C)cc(NCCNC(=O)c2ccc(O)cn2)n1 ZINC000534577207 448453477 /nfs/dbraw/zinc/45/34/77/448453477.db2.gz LFCKJBSVBMWKFG-UHFFFAOYSA-N -1 0 329.404 2.070 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)c2ccc(N3CCCCC3=O)cc2)CCO1 ZINC000583650625 448455532 /nfs/dbraw/zinc/45/55/32/448455532.db2.gz SRWKGZSXKOVYIC-CQSZACIVSA-N -1 0 332.356 1.129 50 0 EDAARM COC(=O)c1cc(S(=O)(=O)[N-][C@@H]2CCCc3ccccc32)on1 ZINC000583652013 448458345 /nfs/dbraw/zinc/45/83/45/448458345.db2.gz WZLZFMPELJIYGP-GFCCVEGCSA-N -1 0 336.369 1.817 50 0 EDAARM O=c1[n-]c([C@H]2CCCCN2S(=O)(=O)c2cc(F)ccc2F)n[nH]1 ZINC000585114579 448694254 /nfs/dbraw/zinc/69/42/54/448694254.db2.gz KFHCYYVLZFPONL-SNVBAGLBSA-N -1 0 344.343 1.704 50 0 EDAARM Cc1ccc(CS(=O)(=O)N[C@H](Cc2ccncc2)C(=O)[O-])cc1C ZINC000653496167 451984367 /nfs/dbraw/zinc/98/43/67/451984367.db2.gz HLZCZWHFOUGONQ-MRXNPFEDSA-N -1 0 348.424 1.814 50 0 EDAARM Cc1cc2c(cc1Br)N(Cc1n[nH]c(=O)[n-]1)C[C@H](C)O2 ZINC000092619059 485948515 /nfs/dbraw/zinc/94/85/15/485948515.db2.gz MRKLVYOSQFJRNZ-QMMMGPOBSA-N -1 0 339.193 1.956 50 0 EDAARM O=C(C[C@@H](C(=O)[O-])[C@H]1CCCO1)NCCc1ccc2c(c1)OCO2 ZINC000002291005 501046104 /nfs/dbraw/zinc/04/61/04/501046104.db2.gz LYCIEYFODKZDIE-CHWSQXEVSA-N -1 0 335.356 1.344 50 0 EDAARM CCc1c(C(=O)N2CCO[C@H](C(=O)[O-])C2)cnn1Cc1ccccc1 ZINC000178280960 523686835 /nfs/dbraw/zinc/68/68/35/523686835.db2.gz UHHGCYCMUMOYBB-INIZCTEOSA-N -1 0 343.383 1.419 50 0 EDAARM CCN(Cc1ccc(Cl)s1)C(=O)Cn1cc(C(=O)[O-])nn1 ZINC000263373365 535783439 /nfs/dbraw/zinc/78/34/39/535783439.db2.gz ZGMMGLWUCWXOOZ-UHFFFAOYSA-N -1 0 328.781 1.740 50 0 EDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2cc(OC)c(OC)cc2C)C1 ZINC000262949742 536668215 /nfs/dbraw/zinc/66/82/15/536668215.db2.gz IHBQZVATDQWKLY-KRWDZBQOSA-N -1 0 337.372 1.576 50 0 EDAARM COCc1ccccc1C(=O)N(C)CC(=O)N1CCC[C@@H](C(=O)[O-])C1 ZINC000262203054 536809401 /nfs/dbraw/zinc/80/94/01/536809401.db2.gz OUZGUISYENCZJL-CYBMUJFWSA-N -1 0 348.399 1.228 50 0 EDAARM C[C@H](C(F)(F)F)S(=O)(=O)[N-]C(=O)CN1CCCCCCC1=O ZINC000888093377 591023234 /nfs/dbraw/zinc/02/32/34/591023234.db2.gz DGLJSIFVYLRWEO-SECBINFHSA-N -1 0 344.355 1.176 50 0 EDAARM Cc1nn(C)c2nc(/C=C\c3cnc(N(C)C)n3C)cc(C(=O)[O-])c12 ZINC000563219004 306323935 /nfs/dbraw/zinc/32/39/35/306323935.db2.gz YNGMMZJWUOMALT-SREVYHEPSA-N -1 0 340.387 1.945 50 0 EDAARM CN(Cc1nn(C)c(Cl)c1Cl)C(=O)c1nn(C)cc1C(=O)[O-] ZINC000020615331 202050867 /nfs/dbraw/zinc/05/08/67/202050867.db2.gz MZCLQBIMYYRWCF-UHFFFAOYSA-N -1 0 346.174 1.431 50 0 EDAARM Cc1cc2c(cc1C)[C@@H](C(=O)[N-]S(=O)(=O)c1cnn(C)c1)CO2 ZINC000187470122 236219579 /nfs/dbraw/zinc/21/95/79/236219579.db2.gz YEJYTSOEUZVVIJ-ZDUSSCGKSA-N -1 0 335.385 1.018 50 0 EDAARM CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1cncc(C(=O)[O-])n1)CC2 ZINC000072447333 283317368 /nfs/dbraw/zinc/31/73/68/283317368.db2.gz BELNFRXDRHUGPJ-CYBMUJFWSA-N -1 0 348.403 1.330 50 0 EDAARM COc1ccc(OC)c([C@@H]2[C@@H](C(=O)[O-])CC(=O)N2C[C@@H]2CCCO2)c1 ZINC000069699999 202291354 /nfs/dbraw/zinc/29/13/54/202291354.db2.gz GNYLRAKHTCCPCM-RVSPLBMKSA-N -1 0 349.383 1.857 50 0 EDAARM O=C([O-])C1(n2ccnc2)CCN(C(=O)COc2cccc(F)c2)CC1 ZINC000072431841 216225365 /nfs/dbraw/zinc/22/53/65/216225365.db2.gz ZSSOZFBBOLZQRA-UHFFFAOYSA-N -1 0 347.346 1.504 50 0 EDAARM COCc1nc2n(n1)CCC[C@@H]2NC(=O)c1cccc(C(=O)[O-])c1 ZINC000565303496 306381372 /nfs/dbraw/zinc/38/13/72/306381372.db2.gz OERITCBPSCANTI-LBPRGKRZSA-N -1 0 330.344 1.388 50 0 EDAARM COc1ccc(CNC(=O)[C@H](C)OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299741708 202556841 /nfs/dbraw/zinc/55/68/41/202556841.db2.gz AGZSTMXRXCROKL-WCQYABFASA-N -1 0 337.372 1.594 50 0 EDAARM C[C@H](C[S@@](C)=O)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193829286 240326879 /nfs/dbraw/zinc/32/68/79/240326879.db2.gz UFTREVXHBUTACO-WZNIZKBGSA-N -1 0 333.328 1.288 50 0 EDAARM Cc1nn(CCC(=O)NCCc2nc(C(=O)[O-])cs2)c(C)c1C ZINC000219275488 241373200 /nfs/dbraw/zinc/37/32/00/241373200.db2.gz OYZJFHFTQVAEMA-UHFFFAOYSA-N -1 0 336.417 1.712 50 0 EDAARM CC(=O)N1CC(Nc2ccc(-n3cc(C(=O)[O-])cn3)cc2)=CC1=O ZINC000218610958 241335688 /nfs/dbraw/zinc/33/56/88/241335688.db2.gz DUCGXZIGNKNZOK-UHFFFAOYSA-N -1 0 326.312 1.255 50 0 EDAARM COc1c(C)cc(C)cc1S(=O)(=O)[N-]C(=O)[C@@H]1CCCOC1 ZINC000225725913 242004784 /nfs/dbraw/zinc/00/47/84/242004784.db2.gz NEQKTXITWXOYFV-GFCCVEGCSA-N -1 0 327.402 1.544 50 0 EDAARM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC2CCCC2)c1 ZINC000065490507 202853542 /nfs/dbraw/zinc/85/35/42/202853542.db2.gz QZLYGCKSUHMBON-UHFFFAOYSA-N -1 0 339.417 1.689 50 0 EDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000191582891 138918303 /nfs/dbraw/zinc/91/83/03/138918303.db2.gz NJGPMHPBJHYTQG-KKUMJFAQSA-N -1 0 330.384 1.518 50 0 EDAARM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)c2ccc(F)cc2F)c1C ZINC000069567769 203019982 /nfs/dbraw/zinc/01/99/82/203019982.db2.gz FDCZKLKGMURCPF-UHFFFAOYSA-N -1 0 343.355 1.917 50 0 EDAARM Cn1cc([C@@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)cn1 ZINC000069701862 203038473 /nfs/dbraw/zinc/03/84/73/203038473.db2.gz BVCWKWNNCUWGJR-KBPBESRZSA-N -1 0 337.376 1.309 50 0 EDAARM COCCNS(=O)(=O)c1cc(C(=O)[O-])cc(-c2ccoc2)c1 ZINC000071762126 203110589 /nfs/dbraw/zinc/11/05/89/203110589.db2.gz USZQSWWRHXVJAJ-UHFFFAOYSA-N -1 0 325.342 1.570 50 0 EDAARM C[C@H](Nc1nc(CCc2ccccc2)nc2c1cnn2C)c1nnn[n-]1 ZINC000072126741 203165370 /nfs/dbraw/zinc/16/53/70/203165370.db2.gz VLQWZNUTIPOGAV-NSHDSACASA-N -1 0 349.402 1.835 50 0 EDAARM O=C([O-])CCc1nnc2n(c1=O)N=C(c1ccc(F)cc1)CS2 ZINC000020272652 212115746 /nfs/dbraw/zinc/11/57/46/212115746.db2.gz CEWNWLHTYUNDMB-UHFFFAOYSA-N -1 0 334.332 1.153 50 0 EDAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CCCn3cncn3)C2)c1 ZINC000072145370 203169002 /nfs/dbraw/zinc/16/90/02/203169002.db2.gz ODRZWTKUNDFNAK-HNNXBMFYSA-N -1 0 342.399 1.848 50 0 EDAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N[C@H](C)c1nnn[n-]1 ZINC000072453936 203227164 /nfs/dbraw/zinc/22/71/64/203227164.db2.gz DPWJHAASNVKAES-LLVKDONJSA-N -1 0 325.376 1.422 50 0 EDAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)CN3CCOCC3)C2)cc1 ZINC000072430371 203222673 /nfs/dbraw/zinc/22/26/73/203222673.db2.gz LOYDZSKNTQPKQL-OAHLLOKOSA-N -1 0 332.400 1.108 50 0 EDAARM COc1cc([C@@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)ccc1O ZINC000101763385 204021289 /nfs/dbraw/zinc/02/12/89/204021289.db2.gz ZPIVHGNIDOYHJR-QMMMGPOBSA-N -1 0 348.384 1.301 50 0 EDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(CN2CCCC2=O)c1 ZINC000238051437 204866059 /nfs/dbraw/zinc/86/60/59/204866059.db2.gz SXULXQGLQHDDPM-OAHLLOKOSA-N -1 0 330.384 1.888 50 0 EDAARM Cc1nc(C)c(S(=O)(=O)[N-]C(=O)[C@@H]2C[C@@H]2c2cccnc2)s1 ZINC000131227620 205278376 /nfs/dbraw/zinc/27/83/76/205278376.db2.gz MUNFGRWDJQWHKE-VXGBXAGGSA-N -1 0 337.426 1.764 50 0 EDAARM COc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])cc1 ZINC000000077516 205399545 /nfs/dbraw/zinc/39/95/45/205399545.db2.gz QXGCNIUKTFZWSI-INIZCTEOSA-N -1 0 329.352 1.886 50 0 EDAARM CC(C)[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004088166 205685685 /nfs/dbraw/zinc/68/56/85/205685685.db2.gz LXBVBFJMDGMTLK-HUBLWGQQSA-N -1 0 334.397 1.482 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000262759425 304200646 /nfs/dbraw/zinc/20/06/46/304200646.db2.gz KLZOINFWMBOWIU-CQSZACIVSA-N -1 0 334.372 1.719 50 0 EDAARM COc1ccc(Br)cc1CNC(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000258789242 139208357 /nfs/dbraw/zinc/20/83/57/139208357.db2.gz ZNEJNJFTBOUXIR-VHSXEESVSA-N -1 0 328.162 1.795 50 0 EDAARM C[C@H](C(=O)Nc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1)n1cncn1 ZINC000262305495 139268479 /nfs/dbraw/zinc/26/84/79/139268479.db2.gz MENQYQWGFDYSQW-SNVBAGLBSA-N -1 0 343.343 1.281 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)CCc2nc(-c3ccsc3)no2)CCO1 ZINC000262416439 139277595 /nfs/dbraw/zinc/27/75/95/139277595.db2.gz PDSPSJKPVPIZNO-SNVBAGLBSA-N -1 0 337.357 1.043 50 0 EDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000262676829 139295675 /nfs/dbraw/zinc/29/56/75/139295675.db2.gz YQCPZKDCKQOOMG-STQMWFEESA-N -1 0 338.385 1.034 50 0 EDAARM O=C([O-])[C@@H](NC(=O)c1csc([C@H]2CCCO2)n1)[C@H]1CCCOC1 ZINC000262853119 139308035 /nfs/dbraw/zinc/30/80/35/139308035.db2.gz UKAWDOGPCSIRGH-WCQGTBRESA-N -1 0 340.401 1.604 50 0 EDAARM COc1ccc(CCNC(=O)N2CCC[C@H](C(=O)[O-])C2)c(OC)c1 ZINC000262916691 139312589 /nfs/dbraw/zinc/31/25/89/139312589.db2.gz FFMQBKQQTVHIJK-ZDUSSCGKSA-N -1 0 336.388 1.753 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)NCCc2ccn(-c3ccccc3)n2)C1 ZINC000262953767 139314929 /nfs/dbraw/zinc/31/49/29/139314929.db2.gz IJNRIKACTUOYJK-CYBMUJFWSA-N -1 0 328.372 1.531 50 0 EDAARM CS(=O)(=O)c1cc(NC(=O)N2CC[C@@H](C(=O)[O-])C2)ccc1Cl ZINC000262985237 139316560 /nfs/dbraw/zinc/31/65/60/139316560.db2.gz CLRAJPZTIJVHNT-MRVPVSSYSA-N -1 0 346.792 1.682 50 0 EDAARM C[C@@H]1CN(S(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)C[C@H]1C(=O)[O-] ZINC000263063173 139320395 /nfs/dbraw/zinc/32/03/95/139320395.db2.gz FTXRGSZNTSCREM-BXKDBHETSA-N -1 0 336.369 1.282 50 0 EDAARM C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)NCc2ncn(-c3ccccc3)n2)C1 ZINC000263106661 139322729 /nfs/dbraw/zinc/32/27/29/139322729.db2.gz BJUICRXNZMKBDI-OLZOCXBDSA-N -1 0 343.387 1.520 50 0 EDAARM CS(=O)(=O)c1ccccc1CC(=O)N1CCCC[C@H]1C(=O)[O-] ZINC000263162773 139325877 /nfs/dbraw/zinc/32/58/77/139325877.db2.gz OZSAZFYCQKWBQF-LBPRGKRZSA-N -1 0 325.386 1.098 50 0 EDAARM C[C@@H]1CN(S(=O)(=O)Cc2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000263177490 139326736 /nfs/dbraw/zinc/32/67/36/139326736.db2.gz SXOBBMOJGYLZKH-PSASIEDQSA-N -1 0 335.784 1.961 50 0 EDAARM O=C([O-])c1ccc([C@H]2CC(=O)Oc3nc4ccccn4c(=O)c32)cc1 ZINC000096230750 304250885 /nfs/dbraw/zinc/25/08/85/304250885.db2.gz MVSWMVKLCYHJND-GFCCVEGCSA-N -1 0 336.303 1.834 50 0 EDAARM O=C([O-])C[C@@H]1COCCN1C(=O)COc1cccc(C(F)(F)F)c1 ZINC000263345962 139337226 /nfs/dbraw/zinc/33/72/26/139337226.db2.gz YZPWWCXJCUZPPR-LLVKDONJSA-N -1 0 347.289 1.786 50 0 EDAARM O=C([O-])CCN(C[C@@H]1CCCO1)C(=O)/C=C\c1ccc2c(c1)OCO2 ZINC000492143340 255160050 /nfs/dbraw/zinc/16/00/50/255160050.db2.gz XLYUOAKVWGFIQY-SDQPKGBYSA-N -1 0 347.367 1.911 50 0 EDAARM O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)CCc2cnccn2)C1 ZINC000426596685 257961742 /nfs/dbraw/zinc/96/17/42/257961742.db2.gz XRYGYMQUILVRKR-SFHVURJKSA-N -1 0 325.368 1.664 50 0 EDAARM CO[C@]12CCN(C(=O)c3ccoc3C)[C@H]1C[C@@H](OCC(=O)[O-])CC2 ZINC000299787166 258093745 /nfs/dbraw/zinc/09/37/45/258093745.db2.gz VJPPYKBJRUKOLD-RVSPLBMKSA-N -1 0 337.372 1.841 50 0 EDAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000299753204 278063924 /nfs/dbraw/zinc/06/39/24/278063924.db2.gz XFXPAUOVWLLUMD-HONMWMINSA-N -1 0 336.413 1.486 50 0 EDAARM COCc1cc(CN(C)[C@@H](C(=O)[O-])c2ccc(F)cc2OC)[nH]n1 ZINC000095391227 293299122 /nfs/dbraw/zinc/29/91/22/293299122.db2.gz SLZITPWXBHHMNY-OAHLLOKOSA-N -1 0 337.351 1.962 50 0 EDAARM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@H](C(=O)[O-])C2)C1=O ZINC000169917847 297654330 /nfs/dbraw/zinc/65/43/30/297654330.db2.gz DQLMKQZLWOGAMJ-RYUDHWBXSA-N -1 0 332.356 1.124 50 0 EDAARM Cc1cc(C(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])ccc1-n1cncn1 ZINC000263000104 301121211 /nfs/dbraw/zinc/12/12/11/301121211.db2.gz OUGMETMZRNGCAK-SQWLQELKSA-N -1 0 340.383 1.901 50 0 EDAARM NC(=O)c1ccc(C(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])s1 ZINC000299751771 303342937 /nfs/dbraw/zinc/34/29/37/303342937.db2.gz RQMNEAYUIMNUMA-NSHDSACASA-N -1 0 330.365 1.499 50 0 EDAARM Cc1n[n-]c(SCC(=O)Nc2ccc(OC(C)C)cc2)nc1=O ZINC000001282354 440839742 /nfs/dbraw/zinc/83/97/42/440839742.db2.gz INVFXZGCRIWOJK-UHFFFAOYSA-N -1 0 334.401 1.991 50 0 EDAARM COc1cc(C)cc2oc(=O)c(CC(=O)NCCCC(=O)[O-])c(C)c12 ZINC000002160560 440857260 /nfs/dbraw/zinc/85/72/60/440857260.db2.gz BVTSXPZENLCAJQ-UHFFFAOYSA-N -1 0 347.367 1.942 50 0 EDAARM COc1cc(C(=O)NCCC(=O)[O-])cc(Br)c1OC ZINC000000406067 440818631 /nfs/dbraw/zinc/81/86/31/440818631.db2.gz HQZQFPKUBVGYTK-UHFFFAOYSA-N -1 0 332.150 1.671 50 0 EDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000003865025 440907645 /nfs/dbraw/zinc/90/76/45/440907645.db2.gz RPDNOGDHYBUAKL-SECBINFHSA-N -1 0 348.218 1.934 50 0 EDAARM Cc1c(O)ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc12 ZINC000004060814 440910386 /nfs/dbraw/zinc/91/03/86/440910386.db2.gz QXXBZHVEJDLPFM-ZDUSSCGKSA-N -1 0 345.351 1.734 50 0 EDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)c1cccc(O)c1 ZINC000005755372 440968767 /nfs/dbraw/zinc/96/87/67/440968767.db2.gz ZGNLCNIJWWZREN-UHFFFAOYSA-N -1 0 329.308 1.514 50 0 EDAARM CC(C)C[C@@H](NC(=O)CCNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004761994 440925638 /nfs/dbraw/zinc/92/56/38/440925638.db2.gz HTMIZMAFNVITAO-CQSZACIVSA-N -1 0 336.388 1.918 50 0 EDAARM COc1ccc(Oc2ccc(CNC(=O)COCC(=O)[O-])cn2)cc1 ZINC000044980355 440937171 /nfs/dbraw/zinc/93/71/71/440937171.db2.gz LMRZFFJUDSFNKO-UHFFFAOYSA-N -1 0 346.339 1.600 50 0 EDAARM CC1=C[C@@H](c2ccccc2)N2N=C(NC(=O)CCC(=O)[O-])NC2=N1 ZINC000006782736 441013555 /nfs/dbraw/zinc/01/35/55/441013555.db2.gz DDRZOYPCABIDOL-LBPRGKRZSA-N -1 0 327.344 1.158 50 0 EDAARM CCCC[N-]S(=O)(=O)c1sc(C(=O)OC)c(C)c1C(=O)OC ZINC000007308654 441045863 /nfs/dbraw/zinc/04/58/63/441045863.db2.gz KGYPLUOKYDKYSJ-UHFFFAOYSA-N -1 0 349.430 1.708 50 0 EDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1cccc(C(F)(F)F)c1 ZINC000008756237 441100761 /nfs/dbraw/zinc/10/07/61/441100761.db2.gz CUGABIYOABWELV-UHFFFAOYSA-N -1 0 327.262 1.584 50 0 EDAARM O=C([O-])Cn1nc([C@H]2CCOC2)nc1-c1ccccc1-n1cnnc1 ZINC000097759367 441144819 /nfs/dbraw/zinc/14/48/19/441144819.db2.gz CFEUZYVWWSXCIU-NSHDSACASA-N -1 0 340.343 1.114 50 0 EDAARM CCCCn1[n-]c(C)c(C(=O)NCCCOCc2ccco2)c1=O ZINC000101900839 441163669 /nfs/dbraw/zinc/16/36/69/441163669.db2.gz 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CCn1ncn2cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2c1=O ZINC000065246776 441409260 /nfs/dbraw/zinc/40/92/60/441409260.db2.gz BCGPMMDCJAMZFJ-UHFFFAOYSA-N -1 0 336.348 1.456 50 0 EDAARM CCC[C@H](NC(=O)c1cncc(Br)c1)c1nnn[n-]1 ZINC000084740425 441418298 /nfs/dbraw/zinc/41/82/98/441418298.db2.gz WXKJNPGUQDMRCG-VIFPVBQESA-N -1 0 325.170 1.628 50 0 EDAARM CSc1ccccc1NC(=O)CCC(=O)N[C@@H](C)c1nnn[n-]1 ZINC000065431077 441431758 /nfs/dbraw/zinc/43/17/58/441431758.db2.gz AKHVAYYFNMZGFC-VIFPVBQESA-N -1 0 334.405 1.518 50 0 EDAARM Cc1nc2sccn2c1[C@@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065459617 441437934 /nfs/dbraw/zinc/43/79/34/441437934.db2.gz VRGBVGUGANSMQS-SECBINFHSA-N -1 0 345.384 1.768 50 0 EDAARM COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccn(C)c(=O)c2)cc1 ZINC000075572755 441534734 /nfs/dbraw/zinc/53/47/34/441534734.db2.gz FLDOOTCKPXVBBT-AWEZNQCLSA-N -1 0 330.340 1.340 50 0 EDAARM Cc1cccc2c(CCC(=O)[N-]S(=O)(=O)c3cnn(C)c3)c[nH]c21 ZINC000076089984 441596232 /nfs/dbraw/zinc/59/62/32/441596232.db2.gz 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EDAARM Cc1c[nH]c(CN2C[C@H]3CN(C(=O)C4CCCC4)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096141168 442043978 /nfs/dbraw/zinc/04/39/78/442043978.db2.gz OVPXYILAWGWONH-KSSFIOAISA-N -1 0 346.431 1.253 50 0 EDAARM CCOc1ccc(C(C)=O)cc1NC(=O)N[C@@H](C)c1n[nH]c(=O)[n-]1 ZINC000096159799 442049157 /nfs/dbraw/zinc/04/91/57/442049157.db2.gz GCVMOHQYJRQVNT-QMMMGPOBSA-N -1 0 333.348 1.582 50 0 EDAARM Cc1cc(Br)ccc1S(=O)(=O)[N-]c1ncnn1C ZINC000128905170 442294726 /nfs/dbraw/zinc/29/47/26/442294726.db2.gz IXKCBGYUMUUUMW-UHFFFAOYSA-N -1 0 331.195 1.687 50 0 EDAARM Cc1cc(C)cc(N2CC[C@H](C(=O)N3CC[C@H](C(=O)[O-])C3)C2=O)c1 ZINC000178266526 442420117 /nfs/dbraw/zinc/42/01/17/442420117.db2.gz LWLNFOQTTOAQFM-DZGCQCFKSA-N -1 0 330.384 1.589 50 0 EDAARM CCn1c(CO)nnc1[C@H]1C[C@@H](NC(=O)c2cccc(F)c2[O-])C1 ZINC000252550901 443042691 /nfs/dbraw/zinc/04/26/91/443042691.db2.gz TUIZJFWEMFAEIG-AOOOYVTPSA-N -1 0 334.351 1.311 50 0 EDAARM Cn1cc(CCC(=O)N2C[C@H](C(=O)[O-])[C@H](c3ccccc3)C2)cn1 ZINC000212612663 443052735 /nfs/dbraw/zinc/05/27/35/443052735.db2.gz QMLIDJIJNLNRSG-HOTGVXAUSA-N -1 0 327.384 1.680 50 0 EDAARM Cc1ccc(C2(C(=O)N[C@@H]3COCC[C@@H]3OCC(=O)[O-])CC2)cc1 ZINC000219924836 443062447 /nfs/dbraw/zinc/06/24/47/443062447.db2.gz ROYBNHJOJAMNRF-CABCVRRESA-N -1 0 333.384 1.402 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1csc(-c2cccnc2)n1 ZINC000268986330 443167155 /nfs/dbraw/zinc/16/71/55/443167155.db2.gz PVOVRYLRQUAHCW-LBPRGKRZSA-N -1 0 333.369 1.060 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)c2cccc(OCc3cccnc3)c2)CCO1 ZINC000262047714 443181117 /nfs/dbraw/zinc/18/11/17/443181117.db2.gz DZYQLVWBYJKOFO-MRXNPFEDSA-N -1 0 342.351 1.586 50 0 EDAARM Cc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@H](C(=O)[O-])C3)c12 ZINC000262366802 443192137 /nfs/dbraw/zinc/19/21/37/443192137.db2.gz FGFDMLKPVLQWFK-LBPRGKRZSA-N -1 0 331.328 1.334 50 0 EDAARM O=C([O-])[C@@H]1CCCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000238068054 443193438 /nfs/dbraw/zinc/19/34/38/443193438.db2.gz NVHYVJBCSAHUAU-HOTGVXAUSA-N -1 0 332.400 1.353 50 0 EDAARM C[C@]1(C(=O)[O-])CCN(C(=O)c2cn(-c3ccccc3Cl)nn2)C1 ZINC000268943993 443155724 /nfs/dbraw/zinc/15/57/24/443155724.db2.gz GFJABMFWFRVZLN-HNNXBMFYSA-N -1 0 334.763 1.858 50 0 EDAARM COc1ccc(-c2ncc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)s2)cc1 ZINC000262989760 443221312 /nfs/dbraw/zinc/22/13/12/443221312.db2.gz OHMFHPXKYDYITH-GFCCVEGCSA-N -1 0 348.380 1.744 50 0 EDAARM COc1ccc(Cn2cc(C(=O)N3CCC[C@H]3C(=O)[O-])cn2)cc1 ZINC000262706665 443208311 /nfs/dbraw/zinc/20/83/11/443208311.db2.gz NGTSLUSVFILJND-HNNXBMFYSA-N -1 0 329.356 1.629 50 0 EDAARM CN(C)[C@H](C(=O)NC1(C(=O)[O-])CCCC1)c1ccc2c(c1)OCO2 ZINC000244899653 443217164 /nfs/dbraw/zinc/21/71/64/443217164.db2.gz ZNKPHOUCAGSACT-AWEZNQCLSA-N -1 0 334.372 1.532 50 0 EDAARM Cc1oc(CNC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1C(=O)[O-] ZINC000299742521 444130163 /nfs/dbraw/zinc/13/01/63/444130163.db2.gz JUPLJYCKXSGKNF-NHYWBVRUSA-N -1 0 338.385 1.356 50 0 EDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cncn2)cc1 ZINC000299749271 444134287 /nfs/dbraw/zinc/13/42/87/444134287.db2.gz JUEXWHBDIOGLBO-KRWDZBQOSA-N -1 0 348.362 1.919 50 0 EDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)Cc1noc2ccccc21 ZINC000325867893 444370350 /nfs/dbraw/zinc/37/03/50/444370350.db2.gz KJBSQBYYOZFLQR-ZDUSSCGKSA-N -1 0 326.312 1.132 50 0 EDAARM CC[C@H](C)[C@@H](NC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)C(=O)[O-] ZINC000376785083 446717916 /nfs/dbraw/zinc/71/79/16/446717916.db2.gz TZLZBEQYQGTHPS-YWPYICTPSA-N -1 0 333.388 1.046 50 0 EDAARM CCc1nnc([N-]S(=O)(=O)c2cc(F)cc(C(=O)OC)c2)o1 ZINC000451072544 447669152 /nfs/dbraw/zinc/66/91/52/447669152.db2.gz GOPQOOYZISKTKU-UHFFFAOYSA-N -1 0 329.309 1.359 50 0 EDAARM Cn1ccnc1[C@@H](CC(=O)N1CCCC[C@@H]1C(=O)[O-])C(F)(F)F ZINC000585134937 448705790 /nfs/dbraw/zinc/70/57/90/448705790.db2.gz PUPRSOXMBIZCKO-NXEZZACHSA-N -1 0 333.310 1.922 50 0 EDAARM CCN(CC)C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C(=O)[O-])C1 ZINC000585136491 448706376 /nfs/dbraw/zinc/70/63/76/448706376.db2.gz IECWHWJQJCYRJH-LLVKDONJSA-N -1 0 329.397 1.454 50 0 EDAARM CC(C)(C(=O)[O-])n1cc(Nc2ncnc3c2ncn3C2CC2)cn1 ZINC000662896064 453592209 /nfs/dbraw/zinc/59/22/09/453592209.db2.gz SCDWBYZHKTVREN-UHFFFAOYSA-N -1 0 327.348 1.921 50 0 EDAARM O=C([O-])c1ccc(/C=N/NC(=O)CNC(=O)c2cccc(F)c2)cc1 ZINC000001922284 486121093 /nfs/dbraw/zinc/12/10/93/486121093.db2.gz FGPQIXGFNWPXPE-AWQFTUOYSA-N -1 0 343.314 1.404 50 0 EDAARM CC[C@@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)[O-] ZINC000262071538 535800569 /nfs/dbraw/zinc/80/05/69/535800569.db2.gz IUQICQBIXIVINB-CQSZACIVSA-N -1 0 339.413 1.996 50 0 EDAARM O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@@](O)(C(F)(F)F)C2)cc1 ZINC000888104930 591033358 /nfs/dbraw/zinc/03/33/58/591033358.db2.gz NOUKIZMVMIZRGC-XSHSDMCLSA-N -1 0 329.274 1.924 50 0 EDAARM CC(C)C[C@H](NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1)C(=O)[O-] ZINC000135903419 591168116 /nfs/dbraw/zinc/16/81/16/591168116.db2.gz YWQBANZTQPLJMA-RISCZKNCSA-N -1 0 336.363 1.794 50 0 EDAARM CC(C)n1cnc(S(=O)(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])c1 ZINC000262348809 605192762 /nfs/dbraw/zinc/19/27/62/605192762.db2.gz ATNZYKHTBIVFEU-UPJWGTAASA-N -1 0 341.433 1.870 50 0 EDAARM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc3c(c2)CCC3)cn1 ZINC000054040630 214211588 /nfs/dbraw/zinc/21/15/88/214211588.db2.gz KDVIHQKAHZYWNQ-UHFFFAOYSA-N -1 0 335.385 1.346 50 0 EDAARM COc1ccc(CN(C)C(=O)c2[nH]cnc2C(=O)[O-])c2cccnc12 ZINC000097756499 219054614 /nfs/dbraw/zinc/05/46/14/219054614.db2.gz FLILEBLFIPTATK-UHFFFAOYSA-N -1 0 340.339 1.937 50 0 EDAARM Cc1n[nH]c(C)c1CCCNC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055370004 214312268 /nfs/dbraw/zinc/31/22/68/214312268.db2.gz NWFTXFDEVSWYPN-UHFFFAOYSA-N -1 0 330.388 1.886 50 0 EDAARM O=C([O-])[C@H]1CN(Cc2cc(C3CC3)n[nH]2)CCN(c2ncccn2)C1 ZINC000097784896 219057211 /nfs/dbraw/zinc/05/72/11/219057211.db2.gz MFLWSYHWQVOWSV-ZDUSSCGKSA-N -1 0 342.403 1.100 50 0 EDAARM COc1cc(F)ccc1[N-]S(=O)(=O)c1cccc(-n2cnnn2)c1 ZINC000058342551 214554007 /nfs/dbraw/zinc/55/40/07/214554007.db2.gz HTASNTAKNQWJQP-UHFFFAOYSA-N -1 0 349.347 1.611 50 0 EDAARM O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100165672 219093182 /nfs/dbraw/zinc/09/31/82/219093182.db2.gz MINMHOUNGOUDNR-LSDHHAIUSA-N -1 0 349.346 1.247 50 0 EDAARM COc1ccccc1C(=O)[N-]C(=O)COC(=O)Cc1ccccc1F ZINC000003449216 210043260 /nfs/dbraw/zinc/04/32/60/210043260.db2.gz YRWGLPMSZYYSIB-UHFFFAOYSA-N -1 0 345.326 1.877 50 0 EDAARM Cc1ccccc1CC(=O)N[C@@H]1C[C@@H](C(=O)[O-])C[C@@H]1n1ccnn1 ZINC000685940883 539578792 /nfs/dbraw/zinc/57/87/92/539578792.db2.gz YONISAPQDDUPJP-KFWWJZLASA-N -1 0 328.372 1.350 50 0 EDAARM COC(=O)[C@@]([N-]c1ncccn1)(NNc1ccccc1)C(F)(F)F ZINC000040266517 213286182 /nfs/dbraw/zinc/28/61/82/213286182.db2.gz XUWGKIVWUGINFR-CYBMUJFWSA-N -1 0 341.293 1.937 50 0 EDAARM CC1(C(=O)[N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)CCCC1 ZINC000069579275 215482514 /nfs/dbraw/zinc/48/25/14/215482514.db2.gz SFLKZFOABOZDEQ-UHFFFAOYSA-N -1 0 335.389 1.048 50 0 EDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000261942410 304060613 /nfs/dbraw/zinc/06/06/13/304060613.db2.gz UXQIMKUOZAGUFE-LBPRGKRZSA-N -1 0 329.360 1.379 50 0 EDAARM O=C([O-])CCc1cc2n(n1)CCN(C(=O)CCc1ccc(O)cc1)C2 ZINC000072407294 304064021 /nfs/dbraw/zinc/06/40/21/304064021.db2.gz UWNQVIJAGYYLLW-UHFFFAOYSA-N -1 0 343.383 1.581 50 0 EDAARM CCCOCC(=O)C[C@H](C(=O)CCC(=O)[O-])C(=O)COCCC ZINC000100670773 283401843 /nfs/dbraw/zinc/40/18/43/283401843.db2.gz DBSCRYQNCCHFEI-CYBMUJFWSA-N -1 0 330.377 1.418 50 0 EDAARM O=C(NC[C@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(Cl)c1[O-] ZINC000071883640 215920707 /nfs/dbraw/zinc/92/07/07/215920707.db2.gz JCCPWHAKBUGDTA-SSDOTTSWSA-N -1 0 338.212 1.864 50 0 EDAARM O=C([O-])CCNC(=O)Cn1ccc2cc(Br)ccc21 ZINC000032094393 212787652 /nfs/dbraw/zinc/78/76/52/212787652.db2.gz FQKZZHNNPGWRSH-UHFFFAOYSA-N -1 0 325.162 1.995 50 0 EDAARM COc1ccccc1CC(=O)N1CCn2nc(CCC(=O)[O-])cc2C1 ZINC000072146245 216032480 /nfs/dbraw/zinc/03/24/80/216032480.db2.gz NNSJXZZVVUPMAU-UHFFFAOYSA-N -1 0 343.383 1.494 50 0 EDAARM Cc1ccccc1-c1ncc(-c2nccn2CCc2n[nH]c(=O)[n-]2)cn1 ZINC000072148241 216035035 /nfs/dbraw/zinc/03/50/35/216035035.db2.gz XMGBWGAIVXLHEG-UHFFFAOYSA-N -1 0 347.382 1.970 50 0 EDAARM O=C([O-])C1(n2ccnc2)CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000072407959 216199524 /nfs/dbraw/zinc/19/95/24/216199524.db2.gz VMAFMVUXDDIKAO-UHFFFAOYSA-N -1 0 349.412 1.289 50 0 EDAARM CO[C@@H]1CCC[C@H]1NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000130013382 223112621 /nfs/dbraw/zinc/11/26/21/223112621.db2.gz XGTJEFLAYIKWIE-ZIAGYGMSSA-N -1 0 347.440 1.759 50 0 EDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1cc2c(c(Br)c1)OCO2 ZINC000262706666 304112940 /nfs/dbraw/zinc/11/29/40/304112940.db2.gz NGWPMZBELRIEHM-VIFPVBQESA-N -1 0 342.145 1.867 50 0 EDAARM CS[C@@H](CO)[C@@H](C)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000193810993 240318621 /nfs/dbraw/zinc/31/86/21/240318621.db2.gz SZPHBVRNPLROCP-XRGYYRRGSA-N -1 0 347.355 1.634 50 0 EDAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 ZINC000238130767 242938701 /nfs/dbraw/zinc/93/87/01/242938701.db2.gz TZUAZXOJFQNLCF-SNVBAGLBSA-N -1 0 330.262 1.278 50 0 EDAARM O=C(NCc1ccc2c(c1)OCO2)c1c(=O)[nH]c2ncccc2c1[O-] ZINC000049411704 214007406 /nfs/dbraw/zinc/00/74/06/214007406.db2.gz QGYUEDDLYORTFZ-UHFFFAOYSA-N -1 0 339.307 1.287 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OCCOC)nc2)cn1 ZINC000078556750 217077217 /nfs/dbraw/zinc/07/72/17/217077217.db2.gz GAGZPUXHUYFEKW-UHFFFAOYSA-N -1 0 326.378 1.124 50 0 EDAARM CSCc1nc2ccccc2n1CC(=O)N1CCC[C@H]1C(=O)[O-] ZINC000237392176 139049824 /nfs/dbraw/zinc/04/98/24/139049824.db2.gz UJEJRJQVOOWENB-ZDUSSCGKSA-N -1 0 333.413 1.975 50 0 EDAARM O=C([O-])c1ccc(CNC(=O)c2cc(=O)[nH]c3cc(F)ccc32)o1 ZINC000238127466 139069353 /nfs/dbraw/zinc/06/93/53/139069353.db2.gz PVWWWJFJMZDKCH-UHFFFAOYSA-N -1 0 330.271 1.888 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)C1 ZINC000238092057 304191555 /nfs/dbraw/zinc/19/15/55/304191555.db2.gz IYPWIFBYMVMDJK-GOEBONIOSA-N -1 0 330.384 1.673 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)[C@H]1COc2ccc(Cl)cc2C1 ZINC000268989316 304199987 /nfs/dbraw/zinc/19/99/87/304199987.db2.gz RDPFLPBJJNDYKR-ZYHUDNBSSA-N -1 0 325.748 1.203 50 0 EDAARM CC[C@]1(C(=O)[O-])CCCN(c2ncc(F)c(N3CCOCC3)n2)C1 ZINC000091487059 218013035 /nfs/dbraw/zinc/01/30/35/218013035.db2.gz LSDGWZAFIMYYQG-INIZCTEOSA-N -1 0 338.383 1.534 50 0 EDAARM Cn1cc(CCC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)cn1 ZINC000091563295 218022175 /nfs/dbraw/zinc/02/21/75/218022175.db2.gz QMLIDJIJNLNRSG-JKSUJKDBSA-N -1 0 327.384 1.680 50 0 EDAARM CCCCc1nc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])c[nH]1 ZINC000091586994 218026164 /nfs/dbraw/zinc/02/61/64/218026164.db2.gz BQWYXXPFIMEUDI-ZDUSSCGKSA-N -1 0 334.420 1.308 50 0 EDAARM COc1cc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c(OC)cc1C ZINC000011566050 211223142 /nfs/dbraw/zinc/22/31/42/211223142.db2.gz GCUYNXVFAQYNGW-UHFFFAOYSA-N -1 0 343.401 1.498 50 0 EDAARM COc1cccc([C@@H]2CN(C(=O)C3CCOCC3)C[C@H]2C(=O)[O-])c1 ZINC000091966230 218095895 /nfs/dbraw/zinc/09/58/95/218095895.db2.gz JDNRZCZRTLSIOG-JKSUJKDBSA-N -1 0 333.384 1.748 50 0 EDAARM COC(=O)Cc1c(C)nc2[n-]c(COc3ccccc3)nn2c1=O ZINC000009330855 211069373 /nfs/dbraw/zinc/06/93/73/211069373.db2.gz VOERKJKRBXDUFL-UHFFFAOYSA-N -1 0 328.328 1.433 50 0 EDAARM CC(C)(C)c1cc(CN2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])[nH]n1 ZINC000095374038 218306761 /nfs/dbraw/zinc/30/67/61/218306761.db2.gz PMTJWNZDNPAPFT-LBPRGKRZSA-N -1 0 334.420 1.263 50 0 EDAARM Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@@H]2CCCOC2)ccc1-n1cncn1 ZINC000262777506 139302971 /nfs/dbraw/zinc/30/29/71/139302971.db2.gz LWSOAPLPIAMNGU-HIFRSBDPSA-N -1 0 344.371 1.185 50 0 EDAARM C[C@]1(NC(=O)c2csc(S(C)(=O)=O)c2)CCCC[C@H]1C(=O)[O-] ZINC000263251546 139331012 /nfs/dbraw/zinc/33/10/12/139331012.db2.gz HJJRGCCGFQAYKB-HZMBPMFUSA-N -1 0 345.442 1.915 50 0 EDAARM CC(C)OC(=O)c1cccc(NC(=O)CSc2nncc(=O)[n-]2)c1 ZINC000005009491 210360329 /nfs/dbraw/zinc/36/03/29/210360329.db2.gz IWDSBBXTVSDKOW-UHFFFAOYSA-N -1 0 348.384 1.873 50 0 EDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)[O-] ZINC000004996501 210353793 /nfs/dbraw/zinc/35/37/93/210353793.db2.gz TZRUSBRYPGPVPQ-ZANVPECISA-N -1 0 328.390 1.423 50 0 EDAARM CCOc1ccc(NS(=O)(=O)c2ccc([O-])c(C(N)=O)c2)cc1 ZINC000005000169 210355419 /nfs/dbraw/zinc/35/54/19/210355419.db2.gz NTDNLGKGQPBUMP-UHFFFAOYSA-N -1 0 336.369 1.691 50 0 EDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)NCc2ccn(Cc3ccccc3)n2)C1 ZINC000263337638 139336751 /nfs/dbraw/zinc/33/67/51/139336751.db2.gz NZPHLRDQQYPEJA-GOSISDBHSA-N -1 0 342.399 1.938 50 0 EDAARM COC(=O)c1cn([C@@H](C(=O)[O-])c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000524734970 257841983 /nfs/dbraw/zinc/84/19/83/257841983.db2.gz VYPGLZLXFOZDLT-CYBMUJFWSA-N -1 0 327.296 1.549 50 0 EDAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)N[C@H](C(=O)[O-])c1ccccc1 ZINC000236603329 258005396 /nfs/dbraw/zinc/00/53/96/258005396.db2.gz NBFCBXACCJZHAF-IRXDYDNUSA-N -1 0 338.363 1.906 50 0 EDAARM COc1cccc(C2(C(=O)N3CCO[C@H](C(=O)[O-])C3)CCCC2)c1 ZINC000299753823 258006524 /nfs/dbraw/zinc/00/65/24/258006524.db2.gz ZMGCBEFPAVHOOD-HNNXBMFYSA-N -1 0 333.384 1.819 50 0 EDAARM CC(=O)N1CSC[C@@H]1C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000299753721 258006781 /nfs/dbraw/zinc/00/67/81/258006781.db2.gz ZDBKOLRELOEVAO-MROQNXINSA-N -1 0 326.418 1.152 50 0 EDAARM Cc1c(CC(=O)N2CC[C@@H](C(=O)[O-])C2)nnn1-c1ccc(C)cc1 ZINC000299743338 258008983 /nfs/dbraw/zinc/00/89/83/258008983.db2.gz NHFBHGIIEZLBEM-CYBMUJFWSA-N -1 0 328.372 1.360 50 0 EDAARM O=C([O-])c1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cn1 ZINC000299742538 258009491 /nfs/dbraw/zinc/00/94/91/258009491.db2.gz JYRPDQFBHMMZBM-UHFFFAOYSA-N -1 0 328.324 1.871 50 0 EDAARM Cc1cc(Cl)ccc1O[C@H](C)C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000330367596 140840978 /nfs/dbraw/zinc/84/09/78/140840978.db2.gz CCNXVMYYWBVNKB-MFKMUULPSA-N -1 0 327.764 1.728 50 0 EDAARM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)n1 ZINC000351727750 143600709 /nfs/dbraw/zinc/60/07/09/143600709.db2.gz QOZSXEKUKOQDNB-UHFFFAOYSA-N -1 0 346.368 1.120 50 0 EDAARM CC[C@H](C)N(CC(=O)[O-])S(=O)(=O)c1cnccc1C(F)(F)F ZINC000358852971 287585822 /nfs/dbraw/zinc/58/58/22/287585822.db2.gz HTAJVCZSHXSHCQ-QMMMGPOBSA-N -1 0 340.323 1.974 50 0 EDAARM CN1CCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C[C@@H]1C(=O)[O-] ZINC000071278709 290028968 /nfs/dbraw/zinc/02/89/68/290028968.db2.gz HTGHROADIVISAD-CQSZACIVSA-N -1 0 348.790 1.367 50 0 EDAARM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCOC[C@@H]2C(=O)[O-])c1 ZINC000268991073 301595656 /nfs/dbraw/zinc/59/56/56/301595656.db2.gz SPTLUUQQMHJUKS-CMPLNLGQSA-N -1 0 327.764 1.728 50 0 EDAARM Cc1csc(C(=O)N2Cc3nnc(C)n3C[C@H]2C(=O)[O-])c1Cl ZINC000263435810 302418824 /nfs/dbraw/zinc/41/88/24/302418824.db2.gz ONWSAIMEABUWMF-QMMMGPOBSA-N -1 0 340.792 1.719 50 0 EDAARM Cc1nnc2n1C[C@@H](C(=O)[O-])N(C(=O)c1cccc3c1CCC3)C2 ZINC000263464807 302830061 /nfs/dbraw/zinc/83/00/61/302830061.db2.gz WJUSBEJKOYSRNV-AWEZNQCLSA-N -1 0 326.356 1.184 50 0 EDAARM Cn1ncc2c1C[C@H](C(=O)N1[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]31)CC2 ZINC000263400886 303059115 /nfs/dbraw/zinc/05/91/15/303059115.db2.gz GMZAZFXWIOWAON-HLSYRSCKSA-N -1 0 331.416 1.769 50 0 EDAARM Cn1nnc2cc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)ccc21 ZINC000237736754 303107808 /nfs/dbraw/zinc/10/78/08/303107808.db2.gz BSTLTRFETRIOIG-XEGUGMAKSA-N -1 0 328.372 1.826 50 0 EDAARM COc1ccc2c(C)c(CC(=O)NCCCC(=O)[O-])c(=O)oc2c1C ZINC000002155544 440857418 /nfs/dbraw/zinc/85/74/18/440857418.db2.gz XKARMMINCLRIBW-UHFFFAOYSA-N -1 0 347.367 1.942 50 0 EDAARM COc1ccc(C(C)(C)C)cc1NC(=O)CCn1[n-]c(=O)ccc1=O ZINC000008390788 441091087 /nfs/dbraw/zinc/09/10/87/441091087.db2.gz KIOXKAGFGWISRH-UHFFFAOYSA-N -1 0 345.399 1.872 50 0 EDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012607783 441137468 /nfs/dbraw/zinc/13/74/68/441137468.db2.gz RTSZBPJDNOIXQA-UHFFFAOYSA-N -1 0 342.399 1.556 50 0 EDAARM CCCCc1ccc(-n2nnnc2SCC(=O)NCC(=O)[O-])cc1 ZINC000012764592 441141579 /nfs/dbraw/zinc/14/15/79/441141579.db2.gz CGOQLPJZGQAOAL-UHFFFAOYSA-N -1 0 349.416 1.298 50 0 EDAARM 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CCCS(=O)(=O)[N-]C(=O)C[C@H]1c2ccccc2CCN1C(C)=O ZINC000123068261 441874602 /nfs/dbraw/zinc/87/46/02/441874602.db2.gz KVJWVHFBZWQXCR-HNNXBMFYSA-N -1 0 338.429 1.378 50 0 EDAARM COc1cc(C)c(S(=O)(=O)[N-]c2nc(C)cs2)cc1OC ZINC000069414001 441928150 /nfs/dbraw/zinc/92/81/50/441928150.db2.gz RFLCNURJTCZKLI-UHFFFAOYSA-N -1 0 328.415 2.578 50 0 EDAARM Cc1nc(C(C)C)sc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)[O-] ZINC000095497805 441937846 /nfs/dbraw/zinc/93/78/46/441937846.db2.gz KQCHQUKXHFGZNK-SECBINFHSA-N -1 0 348.446 1.193 50 0 EDAARM CC(=O)c1[nH]c(C)c(C(=O)N2Cc3nc[nH]c3C[C@H]2C(=O)[O-])c1C ZINC000095501328 441938742 /nfs/dbraw/zinc/93/87/42/441938742.db2.gz KGIBMRXZXKRMSB-LBPRGKRZSA-N -1 0 330.344 1.209 50 0 EDAARM CC(C)n1cc(S(=O)(=O)N2C[C@@H](C(=O)[O-])c3ccccc32)cn1 ZINC000095962312 441962562 /nfs/dbraw/zinc/96/25/62/441962562.db2.gz ZGTLJXASVJWLJN-CYBMUJFWSA-N -1 0 335.385 1.841 50 0 EDAARM CCc1nc(S([O-])=CC(=O)NCCc2c(F)cccc2F)n[nH]1 ZINC000095966748 441963434 /nfs/dbraw/zinc/96/34/34/441963434.db2.gz 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ZINC000191652116 442483583 /nfs/dbraw/zinc/48/35/83/442483583.db2.gz UGOMWXFJVZOLEH-ZIAGYGMSSA-N -1 0 326.352 1.864 50 0 EDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cc(C2CCCCC2)n[nH]1 ZINC000158091821 442645333 /nfs/dbraw/zinc/64/53/33/442645333.db2.gz KPTMWEAGYKRLLA-LLVKDONJSA-N -1 0 341.433 1.554 50 0 EDAARM Cc1nonc1[N-]S(=O)(=O)c1ccc(OCCn2cccn2)cc1 ZINC000225435792 443103503 /nfs/dbraw/zinc/10/35/03/443103503.db2.gz IMNJOGWNLQEVPX-UHFFFAOYSA-N -1 0 349.372 1.454 50 0 EDAARM O=C([O-])[C@](O)(Cn1cncn1)c1ccc(Br)cc1Cl ZINC000225582090 443113626 /nfs/dbraw/zinc/11/36/26/443113626.db2.gz RQYDQJXJAPBNNX-NSHDSACASA-N -1 0 346.568 1.666 50 0 EDAARM NC(=O)NCc1ccc(C(=O)N2CCCC[C@@H]2CCC(=O)[O-])cc1 ZINC000261758744 443168264 /nfs/dbraw/zinc/16/82/64/443168264.db2.gz VPERTDLXYVXJSG-CQSZACIVSA-N -1 0 333.388 1.714 50 0 EDAARM CCS(=O)(=O)c1ccccc1C(=O)N1CCC[C@H](C(=O)[O-])C1 ZINC000262070253 443182024 /nfs/dbraw/zinc/18/20/24/443182024.db2.gz GAZCKTCLBAGUCG-NSHDSACASA-N -1 0 325.386 1.417 50 0 EDAARM O=C([O-])c1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)s1 ZINC000237981845 443191255 /nfs/dbraw/zinc/19/12/55/443191255.db2.gz ANIHOYFOVDFQCY-CYBMUJFWSA-N -1 0 330.365 1.760 50 0 EDAARM CCOC(=O)c1c(C)n(C)c2ccc(OCc3n[n-]c(=NN)o3)cc21 ZINC000261490972 443160531 /nfs/dbraw/zinc/16/05/31/443160531.db2.gz UDCUBYIVJNYOOC-UHFFFAOYSA-N -1 0 345.359 1.911 50 0 EDAARM O=C([O-])C[C@H]1S/C(=N/N=Cc2ccc(Br)o2)NC1=O ZINC000245266545 443220235 /nfs/dbraw/zinc/22/02/35/443220235.db2.gz KAASKOMGDUNCRQ-ZCFIWIBFSA-N -1 0 346.162 1.438 50 0 EDAARM Cc1nc2c(cnn2C(C)C)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000262913863 443216977 /nfs/dbraw/zinc/21/69/77/443216977.db2.gz SVWRQPFNJBPDIN-CYBMUJFWSA-N -1 0 332.360 1.246 50 0 EDAARM CCOc1ccc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1OC ZINC000492152078 320377060 /nfs/dbraw/zinc/37/70/60/320377060.db2.gz BUMVTRBWQRURGL-SCXUMTSISA-N -1 0 335.356 1.419 50 0 EDAARM C[C@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000287614924 443749421 /nfs/dbraw/zinc/74/94/21/443749421.db2.gz 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ZINC000426503138 447460416 /nfs/dbraw/zinc/46/04/16/447460416.db2.gz JIEOTDDWTXPHGB-ZDUSSCGKSA-N -1 0 335.404 1.490 50 0 EDAARM CC(C)[N@@H+]1CCO[C@H](CC(=O)N2CCC(CCC(=O)[O-])CC2)C1 ZINC000426722374 447495199 /nfs/dbraw/zinc/49/51/99/447495199.db2.gz FVSBVINXDBWRAA-OAHLLOKOSA-N -1 0 326.437 1.589 50 0 EDAARM Cc1c(C(=O)N2CCCC[C@H]2C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000408513212 447666400 /nfs/dbraw/zinc/66/64/00/447666400.db2.gz AZICFLKGKOVMMX-ZDUSSCGKSA-N -1 0 332.335 1.794 50 0 EDAARM CN1C(=O)C[C@H](C(=O)N(CC(=O)[O-])C2CCOCC2)c2ccccc21 ZINC000583650636 448455339 /nfs/dbraw/zinc/45/53/39/448455339.db2.gz VZADPEWXKPOTFK-AWEZNQCLSA-N -1 0 346.383 1.229 50 0 EDAARM O=C([O-])CN1CC[C@H](n2cnc3c4ccccc4oc3c2=O)C1=O ZINC000663218531 453730351 /nfs/dbraw/zinc/73/03/51/453730351.db2.gz ACGLHJOYKSPYAK-JTQLQIEISA-N -1 0 327.296 1.001 50 0 EDAARM O=C([O-])CN1CC[C@H](N2c3cccc4cccc(c34)S2(=O)=O)C1=O ZINC000663218482 453730713 /nfs/dbraw/zinc/73/07/13/453730713.db2.gz FGMSMYCOVNNPLO-LBPRGKRZSA-N -1 0 346.364 1.034 50 0 EDAARM Cc1ccccc1Cn1cc(NC(=O)c2nccnc2C(=O)[O-])cn1 ZINC000085475691 485503786 /nfs/dbraw/zinc/50/37/86/485503786.db2.gz IDJLSIYGPAAJJU-UHFFFAOYSA-N -1 0 337.339 1.980 50 0 EDAARM CC(=O)N[C@H](CC(=O)N1CC[C@H](C(=O)[O-])C1)c1ccc(Cl)cc1 ZINC000236719703 534617941 /nfs/dbraw/zinc/61/79/41/534617941.db2.gz WGEMWYOPMWMBCX-GXTWGEPZSA-N -1 0 338.791 1.840 50 0 EDAARM COc1ccc(N2C[C@H](C(=O)N3CCC[C@@H]3C(=O)[O-])CC2=O)cc1 ZINC000263283378 536709374 /nfs/dbraw/zinc/70/93/74/536709374.db2.gz KEJQWHBVVAQNKG-BXUZGUMPSA-N -1 0 332.356 1.124 50 0 EDAARM CCNC(=O)[C@](C)([N-]S(=O)(=O)c1cccs1)C(F)(F)F ZINC000888096187 591027329 /nfs/dbraw/zinc/02/73/29/591027329.db2.gz WXYPPWDQVAZXCN-VIFPVBQESA-N -1 0 330.353 1.484 50 0 EDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2sccc2Br)C1 ZINC000062132799 214700452 /nfs/dbraw/zinc/70/04/52/214700452.db2.gz NUGCCUPKZQPLBY-LURJTMIESA-N -1 0 340.220 1.606 50 0 EDAARM COc1ccc(OC)c(S(=O)(=O)N2CCC(C(=O)[O-])CC2)c1 ZINC000004501625 210204306 /nfs/dbraw/zinc/20/43/06/210204306.db2.gz QLJUGYURRZUYCR-UHFFFAOYSA-N -1 0 329.374 1.189 50 0 EDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3ncnn32)c(OC)c1OC ZINC000101347877 219122956 /nfs/dbraw/zinc/12/29/56/219122956.db2.gz XFXYQYSTSJDSDT-JTQLQIEISA-N -1 0 332.316 1.287 50 0 EDAARM CCCCNC(=O)c1nn2c([n-]1)nc(C)c(Cc1ccccc1)c2=O ZINC000101415651 219126750 /nfs/dbraw/zinc/12/67/50/219126750.db2.gz FLAPEMDRZMYEIS-UHFFFAOYSA-N -1 0 339.399 1.847 50 0 EDAARM COc1ccc(CSC(=S)[N-][C@H]2CCS(=O)(=O)C2)cc1 ZINC000004294123 210162878 /nfs/dbraw/zinc/16/28/78/210162878.db2.gz FXRFSNSKARUYAJ-NSHDSACASA-N -1 0 331.484 1.990 50 0 EDAARM CC[C@H](NC(=O)CCc1c(C)c2ccc(O)cc2oc1=O)C(=O)[O-] ZINC000004063119 210111113 /nfs/dbraw/zinc/11/11/13/210111113.db2.gz RFRWZPDOUDFVBI-ZDUSSCGKSA-N -1 0 333.340 1.719 50 0 EDAARM O=C([O-])c1ccc(CNC(=O)CN2C(=O)COc3ccccc32)cc1 ZINC000003407963 210029767 /nfs/dbraw/zinc/02/97/67/210029767.db2.gz BXGZDQAFFSEREH-UHFFFAOYSA-N -1 0 340.335 1.427 50 0 EDAARM O=C([O-])[C@]1(NC(=O)c2cncc(Br)c2)CCSC1 ZINC000043508717 213585557 /nfs/dbraw/zinc/58/55/57/213585557.db2.gz LSMUERGOEJPRLM-NSHDSACASA-N -1 0 331.191 1.534 50 0 EDAARM COc1cc(C)ccc1OCc1nc(C(=O)NCc2nnn[n-]2)co1 ZINC000067713192 215191192 /nfs/dbraw/zinc/19/11/92/215191192.db2.gz AYEIZCSVJZVPQO-UHFFFAOYSA-N -1 0 344.331 1.014 50 0 EDAARM C[C@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002949606 209945118 /nfs/dbraw/zinc/94/51/18/209945118.db2.gz OPKYTNQEKONRQZ-KBICQTFXSA-N -1 0 328.324 1.640 50 0 EDAARM Cc1cc(N2Cc3cnn(CCO)c3C2)nc(-c2ccccc2[O-])n1 ZINC000067758373 215206830 /nfs/dbraw/zinc/20/68/30/215206830.db2.gz OYCZNVZRVBVLCM-UHFFFAOYSA-N -1 0 337.383 1.867 50 0 EDAARM CNC(=O)Cn1cc([N-]S(=O)(=O)c2cc(F)ccc2Cl)cn1 ZINC000069434687 215412778 /nfs/dbraw/zinc/41/27/78/215412778.db2.gz CLVNSCPCGVBMFA-UHFFFAOYSA-N -1 0 346.771 1.222 50 0 EDAARM O=C([O-])CCc1cc2n(n1)CCCN(CC(=O)N1CCCCCC1)C2 ZINC000072407767 304064237 /nfs/dbraw/zinc/06/42/37/304064237.db2.gz GKRISXLJFFTMRE-UHFFFAOYSA-N -1 0 348.447 1.509 50 0 EDAARM O=C([O-])CC[C@H]1NC(=O)N(CCc2c[nH]c3ccc(F)cc23)C1=O ZINC000036592974 213100830 /nfs/dbraw/zinc/10/08/30/213100830.db2.gz QJFKURYIGJJKOK-CYBMUJFWSA-N -1 0 333.319 1.635 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CCO1 ZINC000238061265 304084370 /nfs/dbraw/zinc/08/43/70/304084370.db2.gz JKBNXEUYBMNPNF-AWEZNQCLSA-N -1 0 349.774 1.841 50 0 EDAARM CN(C)c1cccc2c1c([N-]S(=O)(=O)c1cn(C)cn1)nn2C ZINC000000153591 209457019 /nfs/dbraw/zinc/45/70/19/209457019.db2.gz GTPHJTQYVLYQQX-UHFFFAOYSA-N -1 0 334.405 1.174 50 0 EDAARM CC1(C)[C@H](C(=O)Nc2cccc(CC(=O)NC3CC3)c2)[C@@H]1C(=O)[O-] ZINC000072400892 216194358 /nfs/dbraw/zinc/19/43/58/216194358.db2.gz ZZDYSHWUQWMHBG-LSDHHAIUSA-N -1 0 330.384 1.803 50 0 EDAARM O=C([O-])c1ccc(C[C@H]2CCN(C(=O)CCCn3cnnn3)C2)cc1 ZINC000072434259 216228918 /nfs/dbraw/zinc/22/89/18/216228918.db2.gz POKLHVOTEGVBAT-CQSZACIVSA-N -1 0 343.387 1.243 50 0 EDAARM O=C([O-])[C@@H]1CC2(CN1C(=O)c1ccco1)CCN(C(=O)C1CC1)CC2 ZINC000072423913 304099205 /nfs/dbraw/zinc/09/92/05/304099205.db2.gz HCRGOZAFNLGKBH-ZDUSSCGKSA-N -1 0 346.383 1.598 50 0 EDAARM COc1cccc([C@H](c2sc3ncnn3c2[O-])N2CCOCC2)c1 ZINC000022609852 212310298 /nfs/dbraw/zinc/31/02/98/212310298.db2.gz CVQWZDHYNBBZPI-CYBMUJFWSA-N -1 0 346.412 1.927 50 0 EDAARM CCc1nc(C)c(CC(=O)N2CCC[C@@](CC)(C(=O)[O-])C2)c(=O)[nH]1 ZINC000217535770 241257391 /nfs/dbraw/zinc/25/73/91/241257391.db2.gz TZLVYOFEHZSEEQ-QGZVFWFLSA-N -1 0 335.404 1.287 50 0 EDAARM CNC(=O)COc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1F ZINC000226753655 242112440 /nfs/dbraw/zinc/11/24/40/242112440.db2.gz XZNKJCPADHTAKF-UHFFFAOYSA-N -1 0 339.348 1.146 50 0 EDAARM CS(=O)(=O)[N-]C(=O)[C@H]1C[C@@]12CCc1cc(Br)ccc12 ZINC000241961231 243008177 /nfs/dbraw/zinc/00/81/77/243008177.db2.gz UQLHJMNSKJMPGV-DGCLKSJQSA-N -1 0 344.230 1.729 50 0 EDAARM CN1CCN(C(=O)C[C@@H]([N-]C(=O)C(F)(F)F)c2cccs2)CC1 ZINC000020366251 212122786 /nfs/dbraw/zinc/12/27/86/212122786.db2.gz BHWHPXUETORIBK-SNVBAGLBSA-N -1 0 349.378 1.632 50 0 EDAARM COCCOc1ncccc1[N-]S(=O)(=O)[C@@H]1CCCC[C@H]1O ZINC000078552081 217074090 /nfs/dbraw/zinc/07/40/90/217074090.db2.gz XTHQZTPOCDZOFV-CHWSQXEVSA-N -1 0 330.406 1.152 50 0 EDAARM NC(=O)CN1CC[C@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000110710638 220060245 /nfs/dbraw/zinc/06/02/45/220060245.db2.gz ZHJCGDHJAAYLDM-VXGBXAGGSA-N -1 0 347.312 1.147 50 0 EDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000098063877 304175914 /nfs/dbraw/zinc/17/59/14/304175914.db2.gz LZMUKDFGKJKUTL-BARDWOONSA-N -1 0 342.395 1.461 50 0 EDAARM O=C([O-])C1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000012388980 211364636 /nfs/dbraw/zinc/36/46/36/211364636.db2.gz NVQOILBUNBCKGP-GFCCVEGCSA-N -1 0 334.347 1.502 50 0 EDAARM COCc1ccc(C(=O)N2C[C@@H](c3ccncc3)[C@H](C(=O)[O-])C2)o1 ZINC000091793879 218067258 /nfs/dbraw/zinc/06/72/58/218067258.db2.gz HPYOQQYGAGETFS-UONOGXRCSA-N -1 0 330.340 1.761 50 0 EDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC(=O)N(CC2CC2)C1 ZINC000095350082 218283784 /nfs/dbraw/zinc/28/37/84/218283784.db2.gz QMAVCJCHQYPOHB-HUUCEWRRSA-N -1 0 330.384 1.057 50 0 EDAARM O=C1N=C(SCCN2CCOCC2)N=C([O-])C1c1ccccc1 ZINC000009019806 211031840 /nfs/dbraw/zinc/03/18/40/211031840.db2.gz DXWYTMWIDYGKRH-UHFFFAOYSA-N -1 0 333.413 1.567 50 0 EDAARM CCn1c2ccccc2n(CC(=O)NCCCCCCC(=O)[O-])c1=O ZINC000095389875 218321595 /nfs/dbraw/zinc/32/15/95/218321595.db2.gz URJFQEKWZXTPCK-UHFFFAOYSA-N -1 0 347.415 1.974 50 0 EDAARM Cc1cc(C)n(-c2cccc(-c3cn(CC[C@H](O)C(=O)[O-])nn3)c2)n1 ZINC000095383018 218315606 /nfs/dbraw/zinc/31/56/06/218315606.db2.gz OIJAIGIRIRXVSW-INIZCTEOSA-N -1 0 341.371 1.583 50 0 EDAARM O=C([O-])c1cccc([C@@H]2CCCN(C(=O)CN3CCOCC3)C2)c1 ZINC000095384145 218316126 /nfs/dbraw/zinc/31/61/26/218316126.db2.gz KDSRRWJKIYLPGV-MRXNPFEDSA-N -1 0 332.400 1.423 50 0 EDAARM COc1cccc(COCC(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000095424852 218367111 /nfs/dbraw/zinc/36/71/11/218367111.db2.gz IOMCBMLTSWNNJU-UHFFFAOYSA-N -1 0 337.372 1.352 50 0 EDAARM COC(=O)Nc1cccc(C(=O)NC2(C(=O)[O-])CCSCC2)c1 ZINC000095989712 218496652 /nfs/dbraw/zinc/49/66/52/218496652.db2.gz AKROGTOIQAEOGH-UHFFFAOYSA-N -1 0 338.385 1.945 50 0 EDAARM O=C([O-])[C@]12CN(C(=O)c3ccc4c(c3)OCCCO4)C[C@H]1COCC2 ZINC000262438923 139279176 /nfs/dbraw/zinc/27/91/76/139279176.db2.gz SQUQUMNSLRGRMO-SCLBCKFNSA-N -1 0 347.367 1.411 50 0 EDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000262419301 139277879 /nfs/dbraw/zinc/27/78/79/139277879.db2.gz PWIJDRHACNHUDV-UWVGGRQHSA-N -1 0 331.307 1.338 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1C[C@H]1c1ccccc1Cl ZINC000152463007 223968704 /nfs/dbraw/zinc/96/87/04/223968704.db2.gz OPOWKGKDLJVUCU-QWRGUYRKSA-N -1 0 337.788 1.739 50 0 EDAARM C[C@@H](Cc1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)[O-] ZINC000262754913 139301352 /nfs/dbraw/zinc/30/13/52/139301352.db2.gz JTQCHHIDMBECEW-CMPLNLGQSA-N -1 0 325.386 1.323 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)CCO1 ZINC000262871013 139309406 /nfs/dbraw/zinc/30/94/06/139309406.db2.gz JBRSBERLAOWAKA-ZDUSSCGKSA-N -1 0 329.312 1.195 50 0 EDAARM C[C@@H]1CN(S(=O)(=O)Cc2cc(C(C)(C)C)on2)C[C@H]1C(=O)[O-] ZINC000263140171 139324590 /nfs/dbraw/zinc/32/45/90/139324590.db2.gz OCWOXYVQVGKRJV-MWLCHTKSSA-N -1 0 330.406 1.454 50 0 EDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H](O)c2cccc(F)c2)C1 ZINC000263154471 139325408 /nfs/dbraw/zinc/32/54/08/139325408.db2.gz XPZUSNVKOYZZCB-XJKSGUPXSA-N -1 0 325.336 1.199 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)NCCc2csc(N3CCCC3)n2)C1 ZINC000263226539 139329493 /nfs/dbraw/zinc/32/94/93/139329493.db2.gz LVYHQLWIEIKHLR-NSHDSACASA-N -1 0 338.433 1.402 50 0 EDAARM Cc1ccc(-c2nc(Cn3nc(C)c(C)cc3=O)n(CC(=O)[O-])n2)o1 ZINC000097136996 218966957 /nfs/dbraw/zinc/96/69/57/218966957.db2.gz UQKOLAARXDTUMI-UHFFFAOYSA-N -1 0 343.343 1.153 50 0 EDAARM Cc1nc(SCC(=O)Nc2ccc(C(=O)[O-])cc2)[nH]c(=O)c1C ZINC000005052313 210375214 /nfs/dbraw/zinc/37/52/14/210375214.db2.gz WNIDCHXFKDRFIA-UHFFFAOYSA-N -1 0 333.369 1.816 50 0 EDAARM CC(C)(C)NC(=O)c1ccccc1NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000263355796 139337789 /nfs/dbraw/zinc/33/77/89/139337789.db2.gz RPORSHCXHRTSCS-UHFFFAOYSA-N -1 0 345.359 1.143 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)NCc2ccncc2OCC(F)(F)F)C1 ZINC000263375250 139338849 /nfs/dbraw/zinc/33/88/49/139338849.db2.gz OBGVXBAQSLYBHW-JTQLQIEISA-N -1 0 347.293 1.639 50 0 EDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cc1cncn1Cc1ccccc1 ZINC000263449837 139342598 /nfs/dbraw/zinc/34/25/98/139342598.db2.gz RZLPDWCFTDOANZ-INIZCTEOSA-N -1 0 327.384 1.940 50 0 EDAARM CN(C(=O)[C@@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263464901 139343341 /nfs/dbraw/zinc/34/33/41/139343341.db2.gz QTPHRLIFUQNXPI-PBHICJAKSA-N -1 0 341.363 1.981 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000263483313 139344577 /nfs/dbraw/zinc/34/45/77/139344577.db2.gz LODJLJPVNAGOPB-QMMMGPOBSA-N -1 0 348.327 1.621 50 0 EDAARM CCN1CC[NH+]([C@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036360879 285334696 /nfs/dbraw/zinc/33/46/96/285334696.db2.gz ZAPKFSBDHAKWBK-INIZCTEOSA-N -1 0 345.399 1.640 50 0 EDAARM CN1C(=O)C[C@@H](C(=O)NCC(=O)[O-])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000299752260 257985593 /nfs/dbraw/zinc/98/55/93/257985593.db2.gz TTZIXVHNJFJXDS-ZWNOBZJWSA-N -1 0 344.289 1.426 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnn(-c2cccc(Cl)c2)c1 ZINC000299750039 258007487 /nfs/dbraw/zinc/00/74/87/258007487.db2.gz MMZCJRKQIZWJJN-ZDUSSCGKSA-N -1 0 335.747 1.451 50 0 EDAARM COc1cc(C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OC1CCCC1 ZINC000299747404 258008056 /nfs/dbraw/zinc/00/80/56/258008056.db2.gz CWQQICSSTIPDRC-CQSZACIVSA-N -1 0 349.383 1.942 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000299743522 258009057 /nfs/dbraw/zinc/00/90/57/258009057.db2.gz NYWDGWHEUNUOND-MFKMUULPSA-N -1 0 334.397 1.813 50 0 EDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)C1 ZINC000299744188 258009181 /nfs/dbraw/zinc/00/91/81/258009181.db2.gz NURVLFRXVWSIAD-MLGOLLRUSA-N -1 0 334.397 1.813 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1c1cn[nH]n1 ZINC000299800076 258103323 /nfs/dbraw/zinc/10/33/23/258103323.db2.gz VOEXZAWEYWIZCD-GXFFZTMASA-N -1 0 348.334 1.040 50 0 EDAARM O=C([O-])c1cc(-c2ccc(N3CCOCC3)cc2)nc2ncnn21 ZINC000048333135 132428108 /nfs/dbraw/zinc/42/81/08/132428108.db2.gz KHUDDUNRLNQJDP-UHFFFAOYSA-N -1 0 325.328 1.326 50 0 EDAARM Cc1nnc2n1C[C@@H](C(=O)[O-])N(C(=O)CC(C)(C)c1ccccc1)C2 ZINC000263404314 148989206 /nfs/dbraw/zinc/98/92/06/148989206.db2.gz HIZVXLYDROAGEL-AWEZNQCLSA-N -1 0 342.399 1.750 50 0 EDAARM CCc1ccccc1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000277261161 273184356 /nfs/dbraw/zinc/18/43/56/273184356.db2.gz NELSFGBMQSHIDQ-UHFFFAOYSA-N -1 0 327.402 1.409 50 0 EDAARM O=C(c1ccc2c(c1)[n-]c(=S)[nH]c2=O)N1CCOC[C@@H]1C1CC1 ZINC000089976557 280198610 /nfs/dbraw/zinc/19/86/10/280198610.db2.gz RJRMSKAVXMKZFE-CYBMUJFWSA-N -1 0 331.397 1.463 50 0 EDAARM 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441951651 /nfs/dbraw/zinc/95/16/51/441951651.db2.gz AAIJAWFQTXVWAL-YPMHNXCESA-N -1 0 345.442 1.547 50 0 EDAARM O=S(=O)([N-]c1cn[nH]c1)c1cc(Br)cc2c1OCC2 ZINC000095939290 441953496 /nfs/dbraw/zinc/95/34/96/441953496.db2.gz SFWWBEQQPQWOQK-UHFFFAOYSA-N -1 0 344.190 1.908 50 0 EDAARM O=C(CO)Nc1cccc([N-]S(=O)(=O)c2ccc(Cl)nc2)c1 ZINC000069775958 442038306 /nfs/dbraw/zinc/03/83/06/442038306.db2.gz YMOCOYRHZJZSTK-UHFFFAOYSA-N -1 0 341.776 1.467 50 0 EDAARM Cc1cnc(CNS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)o1 ZINC000175601680 442091602 /nfs/dbraw/zinc/09/16/02/442091602.db2.gz WWBHRQHYMBJJJY-UHFFFAOYSA-N -1 0 335.385 1.736 50 0 EDAARM C[C@@H]1CCCN(c2ncc(C(C)(C)C(=O)[O-])c(N3CCOCC3)n2)C1 ZINC000096162984 442052145 /nfs/dbraw/zinc/05/21/45/442052145.db2.gz RSTRSMQXZZDCDD-CYBMUJFWSA-N -1 0 348.447 1.912 50 0 EDAARM CC(C)(C)OC(=O)N1CCN(C(=O)c2cccnc2)C[C@H]1CC(=O)[O-] ZINC000096663741 442148366 /nfs/dbraw/zinc/14/83/66/442148366.db2.gz BAOQAAREZCQTHW-CYBMUJFWSA-N -1 0 349.387 1.618 50 0 EDAARM 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CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC(=O)[O-])ccc1C ZINC000095377552 218309788 /nfs/dbraw/zinc/30/97/88/218309788.db2.gz UUJPGWBRYNIUCD-UHFFFAOYSA-N -1 0 342.417 1.230 50 0 EDAARM Cc1cc(C(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)ccc1F ZINC000095385244 218317439 /nfs/dbraw/zinc/31/74/39/218317439.db2.gz QTHVUEYCZUSUSR-CYBMUJFWSA-N -1 0 348.374 1.672 50 0 EDAARM CC[C@](C)(CC(=O)[O-])NC(=O)CCc1nc(-c2ccccn2)no1 ZINC000095989452 218496869 /nfs/dbraw/zinc/49/68/69/218496869.db2.gz DEMVGXGCQCFCKX-MRXNPFEDSA-N -1 0 332.360 1.824 50 0 EDAARM CCOc1ccccc1C(=O)N1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262668221 139294956 /nfs/dbraw/zinc/29/49/56/139294956.db2.gz WOAQXRMXUGAGNS-UONOGXRCSA-N -1 0 346.383 1.090 50 0 EDAARM O=C([O-])[C@H]1c2ccccc2CCN1C(=O)CCOC1CCOCC1 ZINC000262801902 139304726 /nfs/dbraw/zinc/30/47/26/139304726.db2.gz RRBIINGZGUDPJS-QGZVFWFLSA-N -1 0 333.384 1.783 50 0 EDAARM CC(C)n1ccc(C(=O)Nc2ccc(C(=O)N[C@H](C)C(=O)[O-])cc2)n1 ZINC000262883234 139310266 /nfs/dbraw/zinc/31/02/66/139310266.db2.gz HFEVEOPHSLRAKZ-LLVKDONJSA-N -1 0 344.371 1.919 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)NCCc2cccnc2)C[C@H]1C(F)(F)F ZINC000263087004 139321645 /nfs/dbraw/zinc/32/16/45/139321645.db2.gz VEINKYYVDNBRPQ-GHMZBOCLSA-N -1 0 331.294 1.529 50 0 EDAARM CS(=O)(=O)c1ccccc1CC(=O)N1CCCC[C@@H]1C(=O)[O-] ZINC000263162771 139325922 /nfs/dbraw/zinc/32/59/22/139325922.db2.gz OZSAZFYCQKWBQF-GFCCVEGCSA-N -1 0 325.386 1.098 50 0 EDAARM CO[C@H]1C[C@H](CC(=O)[O-])N(C(=O)c2ccc(Cn3cccn3)cc2)C1 ZINC000263173081 139326457 /nfs/dbraw/zinc/32/64/57/139326457.db2.gz WJFSLNXQESDPLU-CVEARBPZSA-N -1 0 343.383 1.636 50 0 EDAARM CC(C)CC1C(=O)N=C(SCC(=O)N2CCCCC2)N=C1[O-] ZINC000005129471 210396998 /nfs/dbraw/zinc/39/69/98/210396998.db2.gz JCOGBVNDTWVGHO-UHFFFAOYSA-N -1 0 325.434 1.779 50 0 EDAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(C)c(C)c3)c(=O)c1-2 ZINC000005053730 210376161 /nfs/dbraw/zinc/37/61/61/210376161.db2.gz DNUGGEMJARCRKS-WCQYABFASA-N -1 0 344.327 1.078 50 0 EDAARM Cc1c(CC(=O)N2CCC[C@](C)(C(=O)[O-])C2)nnn1-c1ccccc1 ZINC000263354717 139337700 /nfs/dbraw/zinc/33/77/00/139337700.db2.gz WOWARWHIOKSFTC-SFHVURJKSA-N -1 0 342.399 1.832 50 0 EDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@](C)(C(=O)[O-])C1)c1ccc(C)cc1 ZINC000236689095 258001149 /nfs/dbraw/zinc/00/11/49/258001149.db2.gz XTTOWLDJZIYDIL-YJBOKZPZSA-N -1 0 332.400 1.886 50 0 EDAARM NC(=O)COc1cccc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])c1 ZINC000299751208 258007226 /nfs/dbraw/zinc/00/72/26/258007226.db2.gz PYMUTIDNXBFOGA-GLQYFDAESA-N -1 0 346.383 1.409 50 0 EDAARM C[C@@H](Oc1ccccc1C#N)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000299751718 258007237 /nfs/dbraw/zinc/00/72/37/258007237.db2.gz RJJOUFNAVPPGGI-HIFRSBDPSA-N -1 0 346.383 1.808 50 0 EDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cnnc2)cc1 ZINC000299746746 258008406 /nfs/dbraw/zinc/00/84/06/258008406.db2.gz ZOBPCDPMBZYTOT-KRWDZBQOSA-N -1 0 348.362 1.919 50 0 EDAARM CCN(CC)C(=O)N[C@H]1CCN([C@H](C(=O)[O-])c2ccccc2)C1=O ZINC000352278481 162090127 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338.307 1.442 50 0 EDAARM Cc1cc(C)n2ncc(CN3Cc4nc[nH]c4C[C@H]3C(=O)[O-])c2n1 ZINC000097757774 301259910 /nfs/dbraw/zinc/25/99/10/301259910.db2.gz QXZPPWWDOHTQDE-AWEZNQCLSA-N -1 0 326.360 1.081 50 0 EDAARM Cn1cc(C(=O)[O-])c(C(=O)Nc2nnc(-c3ccncc3)s2)n1 ZINC000020615042 302910101 /nfs/dbraw/zinc/91/01/01/302910101.db2.gz OFSDICRWLUOHSR-UHFFFAOYSA-N -1 0 330.329 1.284 50 0 EDAARM NC(=O)CN1CC[C@@H](c2ccc(F)cc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC000110710641 303251228 /nfs/dbraw/zinc/25/12/28/303251228.db2.gz ZHJCGDHJAAYLDM-NWDGAFQWSA-N -1 0 347.312 1.147 50 0 EDAARM CCOc1cc(/C=C\C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1OC ZINC000492118491 305587122 /nfs/dbraw/zinc/58/71/22/305587122.db2.gz MHAQBKPQMBPWOC-VSKVDJIOSA-N -1 0 349.383 1.809 50 0 EDAARM CCNc1nc([N-]S(=O)(=O)c2ccc(C)cc2)nc(NCC)n1 ZINC000000246545 440809215 /nfs/dbraw/zinc/80/92/15/440809215.db2.gz OQJUFGKPIKYYHA-UHFFFAOYSA-N -1 0 336.421 1.844 50 0 EDAARM Cc1cc(O[C@@H](C)C(=O)NCC(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002115156 440857295 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COc1ccc(S(=O)(=O)NCC2CCC(C(=O)[O-])CC2)cc1 ZINC000012556102 441136157 /nfs/dbraw/zinc/13/61/57/441136157.db2.gz YFLHPSZYOOQOHT-UHFFFAOYSA-N -1 0 327.402 1.865 50 0 EDAARM CN(C)S(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000071288887 441144807 /nfs/dbraw/zinc/14/48/07/441144807.db2.gz AHMMIBCHTGFCAE-NWDGAFQWSA-N -1 0 340.401 1.232 50 0 EDAARM O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000017066743 441235165 /nfs/dbraw/zinc/23/51/65/441235165.db2.gz REPOTOGKAYFJRK-CABCVRRESA-N -1 0 326.356 1.932 50 0 EDAARM O=C(Nc1cnn(-c2cccc(C(F)(F)F)c2)c1)c1n[nH]c(=O)[n-]1 ZINC000071905368 441192212 /nfs/dbraw/zinc/19/22/12/441192212.db2.gz ZGGNAPMNMRDWHH-UHFFFAOYSA-N -1 0 338.249 1.967 50 0 EDAARM CO[N-]C(=O)c1nn(-c2cccc(C(F)(F)F)c2)c(C)cc1=O ZINC000025824469 441357431 /nfs/dbraw/zinc/35/74/31/441357431.db2.gz DERQJPPRWLFZKL-UHFFFAOYSA-N -1 0 327.262 1.851 50 0 EDAARM CCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@@H](C)[C@@H]1CCCO1 ZINC000065625688 441473592 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O=C([O-])c1cccc(C[C@H]2CCN(C(=O)CCCn3cnnn3)C2)c1 ZINC000072145019 216030983 /nfs/dbraw/zinc/03/09/83/216030983.db2.gz MFGCTSMQUGUSSA-CQSZACIVSA-N -1 0 343.387 1.243 50 0 EDAARM Cc1cccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)nnn3C)c1 ZINC000072271767 216095521 /nfs/dbraw/zinc/09/55/21/216095521.db2.gz BRACFLFQUBSWDK-UHFFFAOYSA-N -1 0 330.369 1.395 50 0 EDAARM Cc1cc(-n2cnnc2)cc(NC(=O)c2nccnc2C(=O)[O-])c1C ZINC000072404544 216195727 /nfs/dbraw/zinc/19/57/27/216195727.db2.gz NDDXDDIEJPWUQQ-UHFFFAOYSA-N -1 0 338.327 1.625 50 0 EDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2onc3ccccc32)CC1 ZINC000072406767 216197326 /nfs/dbraw/zinc/19/73/26/216197326.db2.gz NQYNHJKDQBWYEU-UHFFFAOYSA-N -1 0 340.339 1.740 50 0 EDAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)c3ccc[nH]3)CC2)cn1 ZINC000072423923 216213708 /nfs/dbraw/zinc/21/37/08/216213708.db2.gz GJGKMJHSBWGMGD-UHFFFAOYSA-N -1 0 329.356 1.857 50 0 EDAARM Cc1nccn1CCCC(=O)N1CCC(C(=O)[O-])(n2cccn2)CC1 ZINC000072478112 216256963 /nfs/dbraw/zinc/25/69/63/216256963.db2.gz 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ZINC000236682880 242319436 /nfs/dbraw/zinc/31/94/36/242319436.db2.gz MHXCZYDZTYSCNT-ZDUSSCGKSA-N -1 0 340.326 1.608 50 0 EDAARM C[C@H](C(=O)N(C)C)S(=O)(=O)c1nnc(-c2ccc3c(c2)CCC3)[n-]1 ZINC000195213189 139010361 /nfs/dbraw/zinc/01/03/61/139010361.db2.gz JUMXRZLPTOAFLN-SNVBAGLBSA-N -1 0 348.428 1.211 50 0 EDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1ccc2ncsc2c1 ZINC000095527289 304205188 /nfs/dbraw/zinc/20/51/88/304205188.db2.gz YQZRHUDYVLHRMR-GFCCVEGCSA-N -1 0 328.353 1.671 50 0 EDAARM Cc1n[nH]c(C)c1S(=O)(=O)[N-]c1cccc(-n2cnnn2)c1C ZINC000012508269 211395319 /nfs/dbraw/zinc/39/53/19/211395319.db2.gz XBVPAXHEAZGRJG-UHFFFAOYSA-N -1 0 333.377 1.111 50 0 EDAARM CC(C)c1ccc(S([O-])=CC(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000089893437 217873798 /nfs/dbraw/zinc/87/37/98/217873798.db2.gz WMNPDAZVRATHMN-LFVRLGFBSA-N -1 0 336.457 1.642 50 0 EDAARM CN(C)C(=O)c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1 ZINC000010515562 211178734 /nfs/dbraw/zinc/17/87/34/211178734.db2.gz NMMMVIHJPLVMSQ-UHFFFAOYSA-N -1 0 348.380 1.887 50 0 EDAARM CC(C)[C@@H](CO)O[N-]C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000408520679 250301322 /nfs/dbraw/zinc/30/13/22/250301322.db2.gz RYPSSULFAQFHJY-OAHLLOKOSA-N -1 0 336.432 1.779 50 0 EDAARM O=C([O-])[C@@H]1c2[nH]cnc2CCN1Cc1nccn1Cc1ccccc1 ZINC000095355417 218289072 /nfs/dbraw/zinc/28/90/72/218289072.db2.gz KIMYFQLMBIMBAS-KRWDZBQOSA-N -1 0 337.383 1.839 50 0 EDAARM CCNC(=O)Nc1ccc([C@H](C(=O)[O-])N2CCOCC2)cc1OC ZINC000095388025 218319855 /nfs/dbraw/zinc/31/98/55/218319855.db2.gz LBGPZGKWQCRQHF-CQSZACIVSA-N -1 0 337.376 1.295 50 0 EDAARM O=C([O-])c1cc(C(=O)N2CC[C@@]3(CCOC3)C2)n(-c2ccccc2)n1 ZINC000237981857 304222346 /nfs/dbraw/zinc/22/23/46/304222346.db2.gz SXAMXELAJKXHMQ-GOSISDBHSA-N -1 0 341.367 1.823 50 0 EDAARM COC[C@](C)(CC(=O)[O-])NC(=O)CCCOc1ccc(F)cc1 ZINC000095989828 218496234 /nfs/dbraw/zinc/49/62/34/218496234.db2.gz PFHKXOBEEJMUHY-INIZCTEOSA-N -1 0 327.352 1.981 50 0 EDAARM Cc1c(CC(=O)N2CCCC[C@@H]2C(=O)[O-])nnn1-c1ccccc1 ZINC000262588701 139288630 /nfs/dbraw/zinc/28/86/30/139288630.db2.gz UATXVUFWPIBKFG-OAHLLOKOSA-N -1 0 328.372 1.584 50 0 EDAARM O=C([O-])[C@H]1CCCCN1C(=O)c1cccc(NC(=O)[C@H]2CCOC2)c1 ZINC000262719125 139298729 /nfs/dbraw/zinc/29/87/29/139298729.db2.gz HLKYZUFVXFGHDM-DZGCQCFKSA-N -1 0 346.383 1.741 50 0 EDAARM O=C([O-])[C@@H](NC(=O)c1csc(-c2cnccn2)n1)[C@H]1CCCOC1 ZINC000262872484 139309521 /nfs/dbraw/zinc/30/95/21/139309521.db2.gz WUDLRGZJZIJEBA-CABZTGNLSA-N -1 0 348.384 1.210 50 0 EDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000263025227 139318376 /nfs/dbraw/zinc/31/83/76/139318376.db2.gz OCHNHUBDLZTLFZ-HNNXBMFYSA-N -1 0 327.764 1.912 50 0 EDAARM Cc1cn2c(n1)[C@H](CNC(=O)N1C[C@H](C)C[C@@H](C(=O)[O-])C1)CCC2 ZINC000263104608 139322527 /nfs/dbraw/zinc/32/25/27/139322527.db2.gz BEUYIGPTCDVGPB-KWCYVHTRSA-N -1 0 334.420 1.821 50 0 EDAARM CN(C)C(=O)c1ccnc(NC(=O)N2C[C@@H]3CCC[C@@]3(C(=O)[O-])C2)c1 ZINC000263140238 139324543 /nfs/dbraw/zinc/32/45/43/139324543.db2.gz ZKNBWFBFEXHTOD-YVEFUNNKSA-N -1 0 346.387 1.502 50 0 EDAARM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)COCc2ccccc2)CC1 ZINC000263196501 139327774 /nfs/dbraw/zinc/32/77/74/139327774.db2.gz NCTNNOWPPFMSOE-AEFFLSMTSA-N -1 0 347.411 1.932 50 0 EDAARM O=C([O-])c1ccc2c(c1)OCC(=O)N2CC(=O)N1CCCCCC1 ZINC000019757930 304253188 /nfs/dbraw/zinc/25/31/88/304253188.db2.gz BGUJBSRPXIWABY-UHFFFAOYSA-N -1 0 332.356 1.513 50 0 EDAARM Cc1cccc(CCNC(=O)N2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)n1 ZINC000263416596 139340666 /nfs/dbraw/zinc/34/06/66/139340666.db2.gz WCKCKCKSUBGDKQ-VXGBXAGGSA-N -1 0 345.321 1.837 50 0 EDAARM Cc1nnc2n1C[C@H](C(=O)[O-])N(C(=O)Cc1ccc(Cl)cc1)C2 ZINC000263430706 139341392 /nfs/dbraw/zinc/34/13/92/139341392.db2.gz NHTXIHRAXLXWCY-GFCCVEGCSA-N -1 0 334.763 1.278 50 0 EDAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC000002295216 304270345 /nfs/dbraw/zinc/27/03/45/304270345.db2.gz KAEXJJMMNBOFHI-GHMZBOCLSA-N -1 0 330.340 1.499 50 0 EDAARM Cn1cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)cn1 ZINC000328590409 258044326 /nfs/dbraw/zinc/04/43/26/258044326.db2.gz OYQUOIILKHKWLV-GFCCVEGCSA-N -1 0 343.792 1.568 50 0 EDAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@@H]1CC(=O)N(C(C)C)C1 ZINC000236596805 258001405 /nfs/dbraw/zinc/00/14/05/258001405.db2.gz QPMUBQQDFKOQGZ-UKRRQHHQSA-N -1 0 332.400 1.884 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2cc3ccccc3[nH]c2=O)CCO1 ZINC000299752223 258007329 /nfs/dbraw/zinc/00/73/29/258007329.db2.gz SXFBYLAIMRWFRP-ZDUSSCGKSA-N -1 0 330.340 1.185 50 0 EDAARM O=C([O-])C[C@@]1(c2ccccc2)CC(=O)N(CCc2ccccn2)C1=O ZINC000299785429 258092388 /nfs/dbraw/zinc/09/23/88/258092388.db2.gz ZUWIKUFIOYMQDT-LJQANCHMSA-N -1 0 338.363 1.796 50 0 EDAARM CC[C@@H](C)NC(=O)CNC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21 ZINC000065554175 286782016 /nfs/dbraw/zinc/78/20/16/286782016.db2.gz JDYBQICQZBMBAD-PIGZYNQJSA-N -1 0 333.388 1.127 50 0 EDAARM Cc1cccc(F)c1S(=O)(=O)NCC1(C(=O)[O-])CCOCC1 ZINC000274963725 268251750 /nfs/dbraw/zinc/25/17/50/268251750.db2.gz JNYPBJUKFYPSJU-UHFFFAOYSA-N -1 0 331.365 1.294 50 0 EDAARM CC(C)(C)OC(=O)N1CCN(c2ccc(F)cn2)C[C@H]1C(=O)[O-] ZINC000169725454 278400210 /nfs/dbraw/zinc/40/02/10/278400210.db2.gz AMUGFRFTIRZECQ-NSHDSACASA-N -1 0 325.340 1.731 50 0 EDAARM CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC[C@@](C)(C(=O)[O-])C1 ZINC000268944000 279748007 /nfs/dbraw/zinc/74/80/07/279748007.db2.gz GFWABFLOQBSCCF-MRXNPFEDSA-N -1 0 339.413 1.806 50 0 EDAARM CC1(C)CN(C(=O)c2ccc3[n-]c(=S)oc3c2)CCS1(=O)=O ZINC000163019135 281222177 /nfs/dbraw/zinc/22/21/77/281222177.db2.gz KNWZMYPWCZIAOD-UHFFFAOYSA-N -1 0 340.426 1.766 50 0 EDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)c2cnc(C)nc2C(C)C)C1 ZINC000262952455 293274781 /nfs/dbraw/zinc/27/47/81/293274781.db2.gz QUQVSDHWCKEIKN-KRWDZBQOSA-N -1 0 335.404 1.862 50 0 EDAARM COCc1nc2ncc3c(ccn([C@H](CC(C)C)C(=O)[O-])c3=O)n2n1 ZINC000072466535 293339444 /nfs/dbraw/zinc/33/94/44/293339444.db2.gz DXRXRRHVAVODDE-GFCCVEGCSA-N -1 0 345.359 1.257 50 0 EDAARM C[C@@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000263334230 297214245 /nfs/dbraw/zinc/21/42/45/297214245.db2.gz MDDBHQBMYNIYGO-FDYHWXHSSA-N -1 0 346.449 1.094 50 0 EDAARM Cn1cnnc1SCC(=O)Nc1cc(Cl)ccc1C(=O)[O-] ZINC000003272781 303033802 /nfs/dbraw/zinc/03/38/02/303033802.db2.gz GMTRIKUDLJFBHZ-UHFFFAOYSA-N -1 0 326.765 1.898 50 0 EDAARM CCOC(=O)c1c(NC(=O)CCC(=O)[O-])sc2c1CCN(C)C2 ZINC000000206915 440807166 /nfs/dbraw/zinc/80/71/66/440807166.db2.gz UMOPACPHAGHNMH-UHFFFAOYSA-N -1 0 340.401 1.716 50 0 EDAARM CCC[C@H](NS(=O)(=O)c1ccc(Br)cc1)C(=O)[O-] ZINC000000091150 440797371 /nfs/dbraw/zinc/79/73/71/440797371.db2.gz KWWLBLZQDXFRTA-JTQLQIEISA-N -1 0 336.207 1.981 50 0 EDAARM O=C([O-])CN1C(=O)C(=O)N(Cc2c(Cl)cccc2Cl)C1=O ZINC000002243920 440858545 /nfs/dbraw/zinc/85/85/45/440858545.db2.gz GGTPVTAVYYGKJX-UHFFFAOYSA-N -1 0 331.111 1.369 50 0 EDAARM Cc1ccccc1OC[C@@H](O)CNC(=O)c1ccccc1C(=O)[O-] ZINC000000304011 440812640 /nfs/dbraw/zinc/81/26/40/440812640.db2.gz PRGIEBLSBPFZBD-ZDUSSCGKSA-N -1 0 329.352 1.863 50 0 EDAARM COC(=O)c1c(C)c(C)sc1[N-]S(=O)(=O)c1cnn(C)c1C ZINC000002808578 440880047 /nfs/dbraw/zinc/88/00/47/440880047.db2.gz IJTWWDVWLSIXMP-UHFFFAOYSA-N -1 0 343.430 1.994 50 0 EDAARM CCc1cc2c(C)cc(=O)oc2cc1OCC(=O)NCCC(=O)[O-] ZINC000003068972 440887737 /nfs/dbraw/zinc/88/77/37/440887737.db2.gz XWQPQRJBYFZPDN-UHFFFAOYSA-N -1 0 333.340 1.634 50 0 EDAARM COc1ccccc1NC(=S)N[N-]S(=O)(=O)c1ccccc1 ZINC000006298615 440986802 /nfs/dbraw/zinc/98/68/02/440986802.db2.gz HZCUZKPVIOICBO-UHFFFAOYSA-N -1 0 337.426 1.875 50 0 EDAARM O=C([O-])c1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1 ZINC000006698002 441007622 /nfs/dbraw/zinc/00/76/22/441007622.db2.gz QAJQMBUVGXDFNT-UHFFFAOYSA-N -1 0 346.408 1.896 50 0 EDAARM CCOC(=O)C1CCN(S(=O)(=O)c2cccc(C(=O)[O-])c2)CC1 ZINC000008730110 441098856 /nfs/dbraw/zinc/09/88/56/441098856.db2.gz GJUNAZIIWBRSQY-UHFFFAOYSA-N -1 0 341.385 1.349 50 0 EDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C(F)(F)F ZINC000008379922 441091380 /nfs/dbraw/zinc/09/13/80/441091380.db2.gz IMHHCQAGGTXADS-UHFFFAOYSA-N -1 0 345.302 2.383 50 0 EDAARM CN1CCN(C(=O)c2cc(-n3cccn3)ccc2Cl)C[C@H]1C(=O)[O-] ZINC000071278710 441143107 /nfs/dbraw/zinc/14/31/07/441143107.db2.gz HTGHROADIVISAD-AWEZNQCLSA-N -1 0 348.790 1.367 50 0 EDAARM CCn1nnc(-c2ccc(O)c(NC(=O)[C@H]3[C@H](C(=O)[O-])C3(C)C)c2)n1 ZINC000071285292 441143904 /nfs/dbraw/zinc/14/39/04/441143904.db2.gz LOCAWIURYRSOES-VXGBXAGGSA-N -1 0 345.359 1.361 50 0 EDAARM CC1(C)[C@H](C(=O)Nc2ccc(OCC(=O)NC3CC3)cc2)[C@@H]1C(=O)[O-] ZINC000071284407 441144029 /nfs/dbraw/zinc/14/40/29/441144029.db2.gz GZMNYLNKLUYGCE-LSDHHAIUSA-N -1 0 346.383 1.639 50 0 EDAARM CCOC(=O)c1nc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)sc1C ZINC000071280606 441144153 /nfs/dbraw/zinc/14/41/53/441144153.db2.gz HHQYCDDZOQZUKE-SFYZADRCSA-N -1 0 326.374 1.924 50 0 EDAARM Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)cc1 ZINC000071286717 441144164 /nfs/dbraw/zinc/14/41/64/441144164.db2.gz WAYIXLJBQCMYAE-QWHCGFSZSA-N -1 0 341.367 1.946 50 0 EDAARM CC1(C)CC(=O)C(=C([O-])[C@@H](Cc2ccccc2)n2cnnn2)C(=O)C1 ZINC000102448964 441168696 /nfs/dbraw/zinc/16/86/96/441168696.db2.gz QIHMEKSQDSTISB-CYBMUJFWSA-N -1 0 340.383 1.600 50 0 EDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000013197053 441154783 /nfs/dbraw/zinc/15/47/83/441154783.db2.gz UEPUSUKVTWEWQN-NSHDSACASA-N -1 0 338.385 1.057 50 0 EDAARM C[C@@H]1Oc2ccccc2N(CC(=O)NC2(C(=O)[O-])CCCCC2)C1=O ZINC000071802795 441156700 /nfs/dbraw/zinc/15/67/00/441156700.db2.gz VUIRJTYYVHQCRZ-LBPRGKRZSA-N -1 0 346.383 1.704 50 0 EDAARM CCn1nc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2Cl)ccc1=O ZINC000072287045 441221601 /nfs/dbraw/zinc/22/16/01/441221601.db2.gz ALTIVXTUWJNDND-CYBMUJFWSA-N -1 0 349.774 1.862 50 0 EDAARM CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)s2)cc1 ZINC000024070931 441304036 /nfs/dbraw/zinc/30/40/36/441304036.db2.gz PFYUQBUDOQXYQF-UHFFFAOYSA-N -1 0 346.455 1.765 50 0 EDAARM Cc1cccc(C(C)(C)C)c1NC(=O)C(=O)Nn1c(N)n[n-]c1=S ZINC000048547690 441311899 /nfs/dbraw/zinc/31/18/99/441311899.db2.gz VRLTVTVPHIAXSM-UHFFFAOYSA-N -1 0 348.432 1.838 50 0 EDAARM CS(=O)(=O)[N-]c1ccc(Cl)cc1C(=O)N1CCSCC1 ZINC000064489028 441381979 /nfs/dbraw/zinc/38/19/79/441381979.db2.gz XLJRIWPPTAGKIQ-UHFFFAOYSA-N -1 0 334.850 1.901 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(=O)n(C)nc(C)n3c2)cc1C ZINC000065246987 441410742 /nfs/dbraw/zinc/41/07/42/441410742.db2.gz SORMLYZUCAIKEO-UHFFFAOYSA-N -1 0 346.412 1.759 50 0 EDAARM CC(C)N1C[C@@H](C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)CC1=O ZINC000032315823 441551986 /nfs/dbraw/zinc/55/19/86/441551986.db2.gz AXFCXRYQSPUCKS-JTQLQIEISA-N -1 0 348.428 1.200 50 0 EDAARM Cc1cnc(N)c(S(=O)(=O)[N-]c2cc(C(N)=O)cc(F)c2C)c1 ZINC000089580178 441561366 /nfs/dbraw/zinc/56/13/66/441561366.db2.gz NNNPGHLQKOVMDA-UHFFFAOYSA-N -1 0 338.364 1.319 50 0 EDAARM Cc1cnn(-c2ccc(S(=O)(=O)[N-]c3nncs3)cc2F)c1 ZINC000089702532 441571606 /nfs/dbraw/zinc/57/16/06/441571606.db2.gz QBQUGHQGPBVDHH-UHFFFAOYSA-N -1 0 339.377 1.972 50 0 EDAARM C[C@@](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000089905427 441593337 /nfs/dbraw/zinc/59/33/37/441593337.db2.gz 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442037279 /nfs/dbraw/zinc/03/72/79/442037279.db2.gz LPJPFXFDJONXPB-CYBMUJFWSA-N -1 0 339.351 1.799 50 0 EDAARM O=C([O-])c1cccc(S(=O)(=O)NC[C@@H]2COc3ccccc3C2)c1 ZINC000096139101 442043990 /nfs/dbraw/zinc/04/39/90/442043990.db2.gz KTGDZPFXVZFFPX-GFCCVEGCSA-N -1 0 347.392 1.914 50 0 EDAARM Cc1[nH]n(C)c2nnc(NC(=O)c3nn(-c4ccccc4)cc3[O-])c1-2 ZINC000096436551 442129920 /nfs/dbraw/zinc/12/99/20/442129920.db2.gz JVXKEGFWPSLOBR-UHFFFAOYSA-N -1 0 337.343 1.748 50 0 EDAARM C[C@H](c1ccccc1)N1C[C@H](C(=O)N2CCC[C@H](C(=O)[O-])C2)CC1=O ZINC000096597732 442147489 /nfs/dbraw/zinc/14/74/89/442147489.db2.gz OUCTUCFGEIZBEJ-VNQPRFMTSA-N -1 0 344.411 1.919 50 0 EDAARM CCCn1c(C)nnc1CN(C)Cc1nc(=O)c2sccc2[n-]1 ZINC000097161867 442178020 /nfs/dbraw/zinc/17/80/20/442178020.db2.gz DXHNNHXDGYCSDO-UHFFFAOYSA-N -1 0 332.433 1.927 50 0 EDAARM Cc1cc(C)n(-c2ccc(CCNC(=O)[C@H]3C[C@@H]3C(=O)[O-])cc2)n1 ZINC000097017633 442156412 /nfs/dbraw/zinc/15/64/12/442156412.db2.gz MLVQUPVYSSLAON-HOTGVXAUSA-N -1 0 327.384 1.869 50 0 EDAARM O=C(N[C@H]1CCN(c2ccc(Cl)cc2Cl)C1)c1nc(=O)[nH][n-]1 ZINC000170090099 442229192 /nfs/dbraw/zinc/22/91/92/442229192.db2.gz WFWAIPQHPDSBEC-QMMMGPOBSA-N -1 0 342.186 1.414 50 0 EDAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NS(=O)(=O)C2CC2)cc1 ZINC000223456129 443090007 /nfs/dbraw/zinc/09/00/07/443090007.db2.gz KMOQTKVDIVCAGO-ZIAGYGMSSA-N -1 0 341.385 1.003 50 0 EDAARM COC[C@@H]1[C@H](NC(=O)c2cc(=O)c3cccc(F)c3[n-]2)[C@@H]2CCO[C@H]12 ZINC000223697074 443092734 /nfs/dbraw/zinc/09/27/34/443092734.db2.gz HUYZSLSKMQBNRV-LQFGDTRNSA-N -1 0 346.358 1.447 50 0 EDAARM C[C@@H]1Oc2ccccc2N(CC(=O)N2CC[C@](C)(C(=O)[O-])C2)C1=O ZINC000269031813 443178048 /nfs/dbraw/zinc/17/80/48/443178048.db2.gz NBLFISHSGPRKFU-GTNSWQLSSA-N -1 0 332.356 1.124 50 0 EDAARM CC1(C)Cc2cccc(OCC(=O)N3CCOC[C@@H]3C(=O)[O-])c2O1 ZINC000262454704 443195397 /nfs/dbraw/zinc/19/53/97/443195397.db2.gz HQEUOTGBQWAUSG-GFCCVEGCSA-N -1 0 335.356 1.091 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CCO1 ZINC000262750274 443210424 /nfs/dbraw/zinc/21/04/24/443210424.db2.gz KHAHUVCIZHLWET-JTQLQIEISA-N -1 0 334.303 1.395 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000262926807 443216694 /nfs/dbraw/zinc/21/66/94/443216694.db2.gz FUCNQPIRLUHPGI-NSHDSACASA-N -1 0 333.262 1.396 50 0 EDAARM Cc1nc2cc(F)cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2nc1C ZINC000262972586 443218741 /nfs/dbraw/zinc/21/87/41/443218741.db2.gz LULQTLKLIDRTLE-CYBMUJFWSA-N -1 0 333.319 1.311 50 0 EDAARM Cc1ccnc2nc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])nn21 ZINC000265298139 443599555 /nfs/dbraw/zinc/59/95/55/443599555.db2.gz IZVQTCXNWLTMOY-TUAOUCFPSA-N -1 0 329.360 1.291 50 0 EDAARM CCOc1ccccc1[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])C1)NC(C)=O ZINC000299743097 444131439 /nfs/dbraw/zinc/13/14/39/444131439.db2.gz LTEFPLRVXOXRTJ-UKRRQHHQSA-N -1 0 348.399 1.586 50 0 EDAARM CCCCn1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000299744462 444132371 /nfs/dbraw/zinc/13/23/71/444132371.db2.gz SJPFMFSHPISFQF-YUELXQCFSA-N -1 0 347.415 1.901 50 0 EDAARM COc1cc(/C=C/C(=O)N(C)C[C@H](C)C(=O)[O-])cc2c1OCCO2 ZINC000328594754 444388797 /nfs/dbraw/zinc/38/87/97/444388797.db2.gz AZESRPDEOLRPIN-ZWNMCFTASA-N -1 0 335.356 1.659 50 0 EDAARM O=C([O-])CC1CCN(C(=O)Cc2ccc(-n3cnnc3)cc2)CC1 ZINC000583139928 326011045 /nfs/dbraw/zinc/01/10/45/326011045.db2.gz VYBPODOOTVRMRQ-UHFFFAOYSA-N -1 0 328.372 1.523 50 0 EDAARM C[C@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])[C@H]1CO ZINC000408523894 447675440 /nfs/dbraw/zinc/67/54/40/447675440.db2.gz VXMHCQDBSJCYOC-ZANVPECISA-N -1 0 337.326 1.699 50 0 EDAARM COc1cc(/C=C\C(=O)N2CCC[C@H]2C(=O)[O-])cc2c1OCCO2 ZINC000492321183 448205704 /nfs/dbraw/zinc/20/57/04/448205704.db2.gz PVYUHVHMCPMBOP-RXNFCKPNSA-N -1 0 333.340 1.555 50 0 EDAARM O=C([O-])C1(NC(=O)N2CC[C@H](Oc3ccccc3)C2)CCOCC1 ZINC000534639239 448459710 /nfs/dbraw/zinc/45/97/10/448459710.db2.gz COTJUPJPXBNHLN-AWEZNQCLSA-N -1 0 334.372 1.483 50 0 EDAARM C[C@@H](Oc1ccc(NC(=O)[C@H](C)S(C)(=O)=O)cc1F)C(=O)[O-] ZINC000630257641 451084812 /nfs/dbraw/zinc/08/48/12/451084812.db2.gz CYRDHSTYJJCOST-SFYZADRCSA-N -1 0 333.337 1.049 50 0 EDAARM CN1c2ccc(C(=O)N[C@@H](CC3CC3)C(=O)[O-])cc2C(C)(C)C1=O ZINC000659141438 453651831 /nfs/dbraw/zinc/65/18/31/453651831.db2.gz ACGMROOMQWDAMC-ZDUSSCGKSA-N -1 0 330.384 1.924 50 0 EDAARM Cc1nn(-c2ccccc2)cc1CCCNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000584907983 486032668 /nfs/dbraw/zinc/03/26/68/486032668.db2.gz GTGUPWMXZWPTBT-HZPDHXFCSA-N -1 0 327.384 1.950 50 0 EDAARM O=C([N-]S(=O)(=O)C[C@H]1CCCO1)[C@@H]1CCCN1c1ccccc1 ZINC000253433596 526851886 /nfs/dbraw/zinc/85/18/86/526851886.db2.gz ZDLFDQRKFRNDFO-CABCVRRESA-N -1 0 338.429 1.280 50 0 EDAARM O=C(N[C@@H](COc1ccccc1F)c1ccccc1)c1n[nH]c(=O)[n-]1 ZINC000095430464 526863225 /nfs/dbraw/zinc/86/32/25/526863225.db2.gz LAJQZFNLZVIIBO-ZDUSSCGKSA-N -1 0 342.330 1.787 50 0 EDAARM C[C@H]1CCn2cc(C(=O)N(CCC(=O)[O-])C[C@H]3CCCO3)nc2C1 ZINC000864096816 596754237 /nfs/dbraw/zinc/75/42/37/596754237.db2.gz JGBMXYACCCGODJ-QWHCGFSZSA-N -1 0 335.404 1.561 50 0 EDAARM Cc1cc([N-]S(=O)(=O)c2c(C)cc(-n3cnnn3)cc2C)no1 ZINC000004726341 210261651 /nfs/dbraw/zinc/26/16/51/210261651.db2.gz MCIUEJKIZDMPOR-UHFFFAOYSA-N -1 0 334.361 1.376 50 0 EDAARM CC(C)n1cnnc1CN(C)C(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055071770 214268698 /nfs/dbraw/zinc/26/86/98/214268698.db2.gz KJUSOYNERNBWBK-UHFFFAOYSA-N -1 0 331.376 1.628 50 0 EDAARM COCCN1CCN(C(=O)c2cc(=O)c3cccc(F)c3[n-]2)CC1 ZINC000097785270 219057113 /nfs/dbraw/zinc/05/71/13/219057113.db2.gz NBJMDTBSOIPINC-UHFFFAOYSA-N -1 0 333.363 1.484 50 0 EDAARM CC(C)[C@@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084349 210116503 /nfs/dbraw/zinc/11/65/03/210116503.db2.gz LXBVBFJMDGMTLK-YWPYICTPSA-N -1 0 334.397 1.482 50 0 EDAARM CC[C@H](NC(=O)Cc1c(C)c2ccc(OC)cc2oc1=O)C(=O)[O-] ZINC000004064961 210111707 /nfs/dbraw/zinc/11/17/07/210111707.db2.gz WDOUZMRSHAVKKA-ZDUSSCGKSA-N -1 0 333.340 1.632 50 0 EDAARM C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)NCC(=O)[O-] ZINC000004000375 210098662 /nfs/dbraw/zinc/09/86/62/210098662.db2.gz GFYULBSOBQVUJH-QMMMGPOBSA-N -1 0 337.763 1.151 50 0 EDAARM O=S(=O)([N-]c1ccc(-c2nn[nH]n2)cc1)c1cccc(F)c1F ZINC000103059371 219251499 /nfs/dbraw/zinc/25/14/99/219251499.db2.gz AWNYMUDGRVINGM-UHFFFAOYSA-N -1 0 337.311 1.946 50 0 EDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)CN(C)Cc1ccc(C)cc1)C(=O)[O-] ZINC000067713060 215191099 /nfs/dbraw/zinc/19/10/99/215191099.db2.gz CCIKBWHDWMJLJV-KRWDZBQOSA-N -1 0 344.415 1.709 50 0 EDAARM O=C([O-])CSc1nnc(Cc2ccncc2)n1-c1cccnc1 ZINC000067770846 215207866 /nfs/dbraw/zinc/20/78/66/215207866.db2.gz FWKCQPPWIRMZME-UHFFFAOYSA-N -1 0 327.369 1.825 50 0 EDAARM CCCC[C@H](Sc1[nH]c(=O)nc(C)c1C(=O)OCC)C(=O)[O-] ZINC000005251658 282976257 /nfs/dbraw/zinc/97/62/57/282976257.db2.gz QMGIFDMMARWGIX-VIFPVBQESA-N -1 0 328.390 1.991 50 0 EDAARM Cc1nc2ccc(Cl)cn2c1C(=O)N1CCN(C)[C@@H](C(=O)[O-])C1 ZINC000067973754 215263879 /nfs/dbraw/zinc/26/38/79/215263879.db2.gz VVSJSZFQCFJHKM-LLVKDONJSA-N -1 0 336.779 1.137 50 0 EDAARM Cc1cc2c(nc(C)n([N-]C(=O)c3nn(C)cc3Cl)c2=O)s1 ZINC000002778675 209909543 /nfs/dbraw/zinc/90/95/43/209909543.db2.gz AEQHLSDJDSZJKY-UHFFFAOYSA-N -1 0 337.792 1.846 50 0 EDAARM CN1C(=O)C(=C([O-])c2occc2-c2ccccc2)C(=O)N(C)C1=O ZINC000103502006 219308132 /nfs/dbraw/zinc/30/81/32/219308132.db2.gz MMBKSRDGJBBPNT-UHFFFAOYSA-N -1 0 326.308 1.796 50 0 EDAARM CC(C)(C)OC(=O)N[C@@H]1CCS(=O)(=O)C2(CC(C(=O)[O-])C2)C1 ZINC000685944732 540024862 /nfs/dbraw/zinc/02/48/62/540024862.db2.gz YTIOXPCDSRNACQ-OPASDULOSA-N -1 0 333.406 1.322 50 0 EDAARM CCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)NCC(=O)[O-])ccc12 ZINC000000489665 209632335 /nfs/dbraw/zinc/63/23/35/209632335.db2.gz GIQHYYHTXISBTF-JTQLQIEISA-N -1 0 333.340 1.632 50 0 EDAARM CCN1CC[NH+]([C@@H](C(=O)[O-])c2cn(C)c3ccc(C(=O)[O-])cc23)CC1 ZINC000036360880 213090763 /nfs/dbraw/zinc/09/07/63/213090763.db2.gz ZAPKFSBDHAKWBK-MRXNPFEDSA-N -1 0 345.399 1.640 50 0 EDAARM NC(=O)c1ccccc1[N-]S(=O)(=O)CCOc1ccc(F)cc1 ZINC000070637795 215701297 /nfs/dbraw/zinc/70/12/97/215701297.db2.gz CCFGCAQHANPDCT-UHFFFAOYSA-N -1 0 338.360 1.745 50 0 EDAARM CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CCN(c1nc(C(=O)[O-])co1)CC2 ZINC000072474009 283318003 /nfs/dbraw/zinc/31/80/03/283318003.db2.gz FJURCTRZLZUVLP-GFCCVEGCSA-N -1 0 337.376 1.528 50 0 EDAARM O=C([O-])CCN1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000035122394 213009105 /nfs/dbraw/zinc/00/91/05/213009105.db2.gz MPLRRJSCIWUDOS-UHFFFAOYSA-N -1 0 332.809 1.121 50 0 EDAARM O=C([O-])c1nccnc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 ZINC000032096191 212788468 /nfs/dbraw/zinc/78/84/68/212788468.db2.gz BIYGXSZJFVSEGQ-UHFFFAOYSA-N -1 0 346.774 1.791 50 0 EDAARM COc1cc(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)ccc1F ZINC000072422337 216211548 /nfs/dbraw/zinc/21/15/48/216211548.db2.gz ADNQINUVUMVGRB-UHFFFAOYSA-N -1 0 347.346 1.747 50 0 EDAARM CC(=O)[N-]S(=O)(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 ZINC000000045845 209387648 /nfs/dbraw/zinc/38/76/48/209387648.db2.gz DRNHASYHHVRKJL-UHFFFAOYSA-N -1 0 344.348 1.312 50 0 EDAARM 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CC(C)CN(CC(=O)[O-])C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000089840114 441585219 /nfs/dbraw/zinc/58/52/19/441585219.db2.gz WKBFERQCZOVAIO-UHFFFAOYSA-N -1 0 348.399 1.983 50 0 EDAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)[C@H]1COc2ccccc21 ZINC000113676019 441623188 /nfs/dbraw/zinc/62/31/88/441623188.db2.gz UJHHRNNLOWVSPU-NSHDSACASA-N -1 0 338.772 1.716 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2cc(Cl)no2)C[C@H]1c1ccncc1 ZINC000091643460 441725299 /nfs/dbraw/zinc/72/52/99/441725299.db2.gz NJBGWDRBEVOZFM-QWHCGFSZSA-N -1 0 349.774 1.982 50 0 EDAARM CC(=O)[C@@H]1C[C@H](C(=O)[N-]S(=O)(=O)c2sc(C)nc2C)C1(C)C ZINC000158989995 441778813 /nfs/dbraw/zinc/77/88/13/441778813.db2.gz CVWGVUDQKPVHEG-WDEREUQCSA-N -1 0 344.458 1.816 50 0 EDAARM O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)[C@H]1C[C@@H]1C1CC1 ZINC000159119176 441789067 /nfs/dbraw/zinc/78/90/67/441789067.db2.gz RALHNSXOLGSYBT-OLZOCXBDSA-N -1 0 333.369 1.588 50 0 EDAARM CCC[C@@H](NC(=O)c1cc(Br)cn1C)c1nnn[n-]1 ZINC000095965247 441963484 /nfs/dbraw/zinc/96/34/84/441963484.db2.gz NWVFYYPFHDJFOQ-MRVPVSSYSA-N -1 0 327.186 1.572 50 0 EDAARM C[C@@H](CC(=O)[O-])NC(=O)CNC(=O)Cc1cccc2ccccc21 ZINC000095970366 441964394 /nfs/dbraw/zinc/96/43/94/441964394.db2.gz IKVDEFZGEPTSQJ-LBPRGKRZSA-N -1 0 328.368 1.478 50 0 EDAARM Cc1ccc(CCC(=O)NCC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)cc1 ZINC000095970073 441965149 /nfs/dbraw/zinc/96/51/49/441965149.db2.gz MPDHGGVNMQRDOM-INIZCTEOSA-N -1 0 334.416 1.659 50 0 EDAARM O=C([O-])c1ccc(C=NNC(=O)Cc2cn3ccsc3n2)cc1 ZINC000096698162 442149309 /nfs/dbraw/zinc/14/93/09/442149309.db2.gz HSOJUIJQZSFTAN-UHFFFAOYSA-N -1 0 328.353 1.787 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000128566838 442274768 /nfs/dbraw/zinc/27/47/68/442274768.db2.gz WVMZFDUVDBORED-GFCCVEGCSA-N -1 0 331.347 1.877 50 0 EDAARM COc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1O ZINC000172463800 442468302 /nfs/dbraw/zinc/46/83/02/442468302.db2.gz RSFAHQQYCZXOFG-UHFFFAOYSA-N -1 0 334.416 1.585 50 0 EDAARM 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339.413 1.950 50 0 EDAARM COc1ccc([C@@H](CC(=O)N2CC[C@H](C(=O)[O-])C2)NC(C)=O)cc1 ZINC000299745439 444132075 /nfs/dbraw/zinc/13/20/75/444132075.db2.gz ZBXMDIHILOEBFY-DZGCQCFKSA-N -1 0 334.372 1.196 50 0 EDAARM CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000338725768 444822942 /nfs/dbraw/zinc/82/29/42/444822942.db2.gz DHMFRIRBDNPQCH-UHFFFAOYSA-N -1 0 341.414 1.133 50 0 EDAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@H]1CCCS1(=O)=O ZINC000582796106 325931144 /nfs/dbraw/zinc/93/11/44/325931144.db2.gz JXIQCJCJLMWYJT-CYBMUJFWSA-N -1 0 341.385 1.688 50 0 EDAARM Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccnn3CC(=O)[O-])C2)o1 ZINC000426503938 447460187 /nfs/dbraw/zinc/46/01/87/447460187.db2.gz DLLBLUWBIFNLJG-LBPRGKRZSA-N -1 0 332.360 1.592 50 0 EDAARM Cc1ccn2nc(C(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])cc2c1 ZINC000426627665 447483189 /nfs/dbraw/zinc/48/31/89/447483189.db2.gz JXNNXPVWZDTZLR-CQSZACIVSA-N -1 0 325.328 1.018 50 0 EDAARM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNC(=O)COC ZINC000574215907 448820022 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EDAARM COc1ccc(CCNC(=O)CN(CC(=O)[O-])c2ccccc2)cc1 ZINC000034926493 213000785 /nfs/dbraw/zinc/00/07/85/213000785.db2.gz YTSRAVLOLORVQS-UHFFFAOYSA-N -1 0 342.395 1.945 50 0 EDAARM CNC(=O)c1ccc(OC)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1 ZINC000071817309 215846046 /nfs/dbraw/zinc/84/60/46/215846046.db2.gz YUAYCWNGWXSWOR-VXGBXAGGSA-N -1 0 332.356 1.660 50 0 EDAARM CCCS(=O)(=O)[N-]C(=O)[C@H]1CC(=O)N(C)[C@H]1c1ccc(F)cc1 ZINC000128415800 283450048 /nfs/dbraw/zinc/45/00/48/283450048.db2.gz JLMHHCMMQLMSFU-JSGCOSHPSA-N -1 0 342.392 1.201 50 0 EDAARM CC(C)(C)OC(=O)N1CCN(C(=O)C(F)(F)F)C[C@H]1C(=O)[O-] ZINC000072233741 216074433 /nfs/dbraw/zinc/07/44/33/216074433.db2.gz WQNJRJODEOWKBT-ZETCQYMHSA-N -1 0 326.271 1.081 50 0 EDAARM Cc1nc2cc(=O)[n-]n2c(C)c1CNC(=O)c1cnn(C(C)(C)C)c1 ZINC000072284894 216114701 /nfs/dbraw/zinc/11/47/01/216114701.db2.gz SUJAMEFLZAQYGO-UHFFFAOYSA-N -1 0 342.403 1.521 50 0 EDAARM Cc1c(C(=O)N2CCOC[C@@H]2CC(=O)[O-])c2cc(O)ccc2n1C ZINC000072421610 216210707 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CCOCCCNC(=O)CCC1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000020618360 212157578 /nfs/dbraw/zinc/15/75/78/212157578.db2.gz DLDRCQCMDMGMMQ-UHFFFAOYSA-N -1 0 339.417 1.332 50 0 EDAARM O=C([O-])[C@@H]1Sc2[nH]c(=O)sc2[C@@H]2c3ccccc3OC(=O)[C@@H]12 ZINC000004294086 304155047 /nfs/dbraw/zinc/15/50/47/304155047.db2.gz OKWDWXQSIUNHER-NQMVMOMDSA-N -1 0 335.362 1.662 50 0 EDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1cc(-n2cccn2)ccn1 ZINC000262981949 304157080 /nfs/dbraw/zinc/15/70/80/304157080.db2.gz NMIQHEPHHNAEJW-KYOSRNDESA-N -1 0 326.356 1.593 50 0 EDAARM CS(=O)(=O)[N-]C(=O)c1cccc(-n2cc(Br)cn2)c1 ZINC000049416834 214006645 /nfs/dbraw/zinc/00/66/45/214006645.db2.gz CJJLXAJPNONKIO-UHFFFAOYSA-N -1 0 344.190 1.324 50 0 EDAARM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)c1ccc(Cl)s1 ZINC000237038411 139038856 /nfs/dbraw/zinc/03/88/56/139038856.db2.gz SCTKMPYZYRWUBA-VIFPVBQESA-N -1 0 344.820 1.797 50 0 EDAARM CC(C)S(=O)(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@H](C(=O)[O-])C1 ZINC000091793598 218067961 /nfs/dbraw/zinc/06/79/61/218067961.db2.gz NJYCMRVYPSFGBW-NWDGAFQWSA-N -1 0 341.385 1.254 50 0 EDAARM O=C(CSC1=Nc2ccccc2S(=O)(=O)[N-]1)N1CCCCC1 ZINC000009708782 211117360 /nfs/dbraw/zinc/11/73/60/211117360.db2.gz NGEYETKFCCTXTJ-UHFFFAOYSA-N -1 0 339.442 1.903 50 0 EDAARM O=C([O-])[C@H](CO)NC(=O)c1ccc2noc(-c3ccccc3)c2c1 ZINC000008990682 211028643 /nfs/dbraw/zinc/02/86/43/211028643.db2.gz DEYQICAVQHQTET-AWEZNQCLSA-N -1 0 326.308 1.670 50 0 EDAARM O=C([O-])C[C@@H](NC(=O)c1ccc(=O)[nH]n1)c1ccc(Cl)s1 ZINC000095463980 218403789 /nfs/dbraw/zinc/40/37/89/218403789.db2.gz TZANIWVGQIJQSX-SSDOTTSWSA-N -1 0 327.749 1.843 50 0 EDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cc(-c2cccn2C)n[nH]1)C(=O)[O-] ZINC000095498866 218414869 /nfs/dbraw/zinc/41/48/69/218414869.db2.gz WOBZQRAWDHIYEJ-AWEZNQCLSA-N -1 0 342.359 1.311 50 0 EDAARM O=C([O-])CN(C(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)c1ccccc1 ZINC000261964885 139240318 /nfs/dbraw/zinc/24/03/18/139240318.db2.gz YIEBMXDNWPTLRN-CYBMUJFWSA-N -1 0 330.384 1.895 50 0 EDAARM CN(CC(=O)N1CCC[C@H](C(=O)[O-])C1)C(=O)[C@@H]1Cc2ccccc21 ZINC000262159590 139256175 /nfs/dbraw/zinc/25/61/75/139256175.db2.gz KHJFRDSZTGBNFZ-DZGCQCFKSA-N -1 0 330.384 1.108 50 0 EDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ncoc1-c1ccc2c(c1)OCCO2 ZINC000262863896 139308839 /nfs/dbraw/zinc/30/88/39/139308839.db2.gz HNUCORPNSHLBHO-VIFPVBQESA-N -1 0 332.312 1.658 50 0 EDAARM CC(C)C[C@@H](CNC(=O)c1ccc(S(C)(=O)=O)s1)C(=O)[O-] ZINC000263232170 139329802 /nfs/dbraw/zinc/32/98/02/139329802.db2.gz QREAFEFYPHSQJM-VIFPVBQESA-N -1 0 333.431 1.628 50 0 EDAARM CSCCc1nc(-c2cc(=O)c3ccccc3[nH]2)n(CC(=O)[O-])n1 ZINC000097347533 219014014 /nfs/dbraw/zinc/01/40/14/219014014.db2.gz PKTQVXBNWNKZDE-UHFFFAOYSA-N -1 0 344.396 1.777 50 0 EDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CNC(=O)c1ccc(F)c(F)c1 ZINC000263472834 139343922 /nfs/dbraw/zinc/34/39/22/139343922.db2.gz YILWYRLVQJZCQD-LBPRGKRZSA-N -1 0 326.299 1.160 50 0 EDAARM COc1ccc(F)c2[nH]c(C(=O)N3CCOC[C@@H]3CC(=O)[O-])cc21 ZINC000263519723 139346229 /nfs/dbraw/zinc/34/62/29/139346229.db2.gz GOUYPFSPHPYWGU-VIFPVBQESA-N -1 0 336.319 1.631 50 0 EDAARM C[C@H](C(=O)[O-])C(=O)N1CCOC[C@H]1c1nc(-c2ccccc2)no1 ZINC000263538655 139346997 /nfs/dbraw/zinc/34/69/97/139346997.db2.gz BDCGZPYPEJFRMN-JQWIXIFHSA-N -1 0 331.328 1.357 50 0 EDAARM CCCN(CC(=O)[O-])C(=O)/C=C/c1cc(OC)c2c(c1)OCCO2 ZINC000328593520 258043536 /nfs/dbraw/zinc/04/35/36/258043536.db2.gz DJOMSYHLHQLQPU-SNAWJCMRSA-N -1 0 335.356 1.803 50 0 EDAARM Cc1ccccc1[C@@H](CC(=O)[O-])NC(=O)[C@H]1CC(=O)N(C(C)C)C1 ZINC000236835272 258001395 /nfs/dbraw/zinc/00/13/95/258001395.db2.gz QPMUBQQDFKOQGZ-DZGCQCFKSA-N -1 0 332.400 1.884 50 0 EDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21 ZINC000299750960 258007052 /nfs/dbraw/zinc/00/70/52/258007052.db2.gz OWQYJKYOUPIMLC-YTFOTSKYSA-N -1 0 325.405 1.815 50 0 EDAARM CC(C)(C)c1noc(CCCC(=O)N2CCOC[C@@H]2C(=O)[O-])n1 ZINC000299746897 258007876 /nfs/dbraw/zinc/00/78/76/258007876.db2.gz BOXOKIDZPGYUSF-SNVBAGLBSA-N -1 0 325.365 1.002 50 0 EDAARM COc1ccc(CNC(=O)[C@@H]2COc3ccccc3O2)cc1C(=O)[O-] ZINC000299744944 258008663 /nfs/dbraw/zinc/00/86/63/258008663.db2.gz QEZLFWGJVVPQLG-INIZCTEOSA-N -1 0 343.335 1.850 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000299744456 258008858 /nfs/dbraw/zinc/00/88/58/258008858.db2.gz SJEYYLGAFGAKKR-CQSZACIVSA-N -1 0 343.387 1.444 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)CCCN2C(=O)CCc3ccccc32)CCO1 ZINC000299750547 132422331 /nfs/dbraw/zinc/42/23/31/132422331.db2.gz NUTDNAAWXCFGGP-HNNXBMFYSA-N -1 0 346.383 1.058 50 0 EDAARM O=C([O-])C1(CNS(=O)(=O)c2ccc(C(F)F)cc2)CCOCC1 ZINC000287529883 288259107 /nfs/dbraw/zinc/25/91/07/288259107.db2.gz MZBLSFMQCFFIJV-UHFFFAOYSA-N -1 0 349.355 1.784 50 0 EDAARM CNC(=O)Cc1csc(NC(=O)Cc2ccccc2C(=O)[O-])n1 ZINC000071286318 290464138 /nfs/dbraw/zinc/46/41/38/290464138.db2.gz HCTCVOVPEZTWEA-UHFFFAOYSA-N -1 0 333.369 1.311 50 0 EDAARM CS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccnc2Cl)cc1 ZINC000022408565 295557597 /nfs/dbraw/zinc/55/75/97/295557597.db2.gz XDTFSNKVUYFHDV-UHFFFAOYSA-N -1 0 346.817 1.939 50 0 EDAARM Cc1c2c(cc(=O)n1C[C@@H]1CCCO1)[n-]n(-c1ccccc1)c2=O ZINC000003765661 301015210 /nfs/dbraw/zinc/01/52/10/301015210.db2.gz IXQAPEWDNTZIAO-AWEZNQCLSA-N -1 0 325.368 1.968 50 0 EDAARM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCOC[C@H]2C(=O)[O-])c1 ZINC000268991078 301595580 /nfs/dbraw/zinc/59/55/80/301595580.db2.gz SPTLUUQQMHJUKS-JQWIXIFHSA-N -1 0 327.764 1.728 50 0 EDAARM Cc1ccc(C2(C(=O)N3CCN(CC(=O)[O-])C(=O)[C@@H]3C)CC2)cc1 ZINC000426360053 447424231 /nfs/dbraw/zinc/42/42/31/447424231.db2.gz DJCLWZDGQWOWGX-ZDUSSCGKSA-N -1 0 330.384 1.171 50 0 EDAARM COc1cc([C@@H]2SC[C@H](C(=O)[O-])N2C(C)=O)cc(OC)c1O ZINC000000375971 440817634 /nfs/dbraw/zinc/81/76/34/440817634.db2.gz KEYKFBVMOKTLJH-RNCFNFMXSA-N -1 0 327.358 1.457 50 0 EDAARM O=C([O-])c1cc(NC(=O)[C@@H]2CCCO2)cc(NC(=O)[C@@H]2CCCO2)c1 ZINC000000468092 440824661 /nfs/dbraw/zinc/82/46/61/440824661.db2.gz LFGPDNXHZZBXRT-KBPBESRZSA-N -1 0 348.355 1.620 50 0 EDAARM Cc1ccc(OCCn2c3ncnc(N)c3nc2S(=O)(=O)[O-])cc1 ZINC000002859094 440880740 /nfs/dbraw/zinc/88/07/40/440880740.db2.gz AEMXGAMNTPQPMP-UHFFFAOYSA-N -1 0 349.372 1.043 50 0 EDAARM Cc1ccc(C(=O)[O-])cc1NC(=O)C(=O)NCCc1ccccc1 ZINC000044901115 440904508 /nfs/dbraw/zinc/90/45/08/440904508.db2.gz MHOMLDQLLRVLEM-UHFFFAOYSA-N -1 0 326.352 1.991 50 0 EDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3c(c2)OCCO3)c[nH]1 ZINC000006887853 441023175 /nfs/dbraw/zinc/02/31/75/441023175.db2.gz XUQUKBGLFQBEFP-UHFFFAOYSA-N -1 0 338.341 1.373 50 0 EDAARM O=C(NCCCN1CCOCC1)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000008716745 441098809 /nfs/dbraw/zinc/09/88/09/441098809.db2.gz NAHXNGVXGSRKIJ-UHFFFAOYSA-N -1 0 331.372 1.098 50 0 EDAARM Cc1ccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)c(Cl)c1 ZINC000071405415 441146148 /nfs/dbraw/zinc/14/61/48/441146148.db2.gz QTFRJKSKWBCCOF-UHFFFAOYSA-N -1 0 326.765 1.563 50 0 EDAARM Cc1cccc(-c2nc(SCc3cc(=O)n4nc[n-]c4n3)n[nH]2)c1 ZINC000102621347 441169937 /nfs/dbraw/zinc/16/99/37/441169937.db2.gz YVDJQDGBNFBPBP-UHFFFAOYSA-N -1 0 339.384 1.803 50 0 EDAARM Cc1c(C(=O)[O-])sc2[nH]c(=S)n(NC(=O)C3CC3)c(=O)c12 ZINC000017066596 441234853 /nfs/dbraw/zinc/23/48/53/441234853.db2.gz DPBKCZKNHCKNJH-UHFFFAOYSA-N -1 0 325.371 1.607 50 0 EDAARM O=C(CN1C(=O)NC2(CCCCC2)C1=O)[N-]OCc1ccccc1 ZINC000025036689 441328854 /nfs/dbraw/zinc/32/88/54/441328854.db2.gz VMINRJJKBIAMSG-UHFFFAOYSA-N -1 0 331.372 1.489 50 0 EDAARM COc1ccc(CN(C)C(=O)Cc2n[nH]c(=O)[n-]2)c2cccnc12 ZINC000426414869 447439234 /nfs/dbraw/zinc/43/92/34/447439234.db2.gz ZMTHXRJGNCOQDC-UHFFFAOYSA-N -1 0 327.344 1.268 50 0 EDAARM Nc1ccnc(N2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)n1 ZINC000082108249 441333654 /nfs/dbraw/zinc/33/36/54/441333654.db2.gz FUJNDADNUMSVPQ-UHFFFAOYSA-N -1 0 332.335 1.701 50 0 EDAARM O=c1ccc(=O)n(Cc2nc(-c3ccccc3)nn2-c2ccccn2)[n-]1 ZINC000063847767 441357340 /nfs/dbraw/zinc/35/73/40/441357340.db2.gz HVNNHFIDNLTUQK-UHFFFAOYSA-N -1 0 346.350 1.640 50 0 EDAARM C[C@@H](NC(=O)Cn1[n-]c(=O)ccc1=O)c1ccc(C(F)(F)F)cc1 ZINC000065399420 441425535 /nfs/dbraw/zinc/42/55/35/441425535.db2.gz KYANOAXTNTYOEB-SECBINFHSA-N -1 0 341.289 1.433 50 0 EDAARM COc1ccc(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)c(OC)c1 ZINC000064980619 441400056 /nfs/dbraw/zinc/40/00/56/441400056.db2.gz ZVVNCVDPAHPIEB-UHFFFAOYSA-N -1 0 346.383 1.908 50 0 EDAARM Cc1ccc(Br)cc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000087741968 441494097 /nfs/dbraw/zinc/49/40/97/441494097.db2.gz DPRLDIYGNKIWHX-LLVKDONJSA-N -1 0 328.162 1.683 50 0 EDAARM COc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1OC ZINC000075572320 441533753 /nfs/dbraw/zinc/53/37/53/441533753.db2.gz HDDLSCUJLXGPFW-LLVKDONJSA-N -1 0 343.401 1.498 50 0 EDAARM COc1cccc(CN(C)S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000075572317 441534066 /nfs/dbraw/zinc/53/40/66/441534066.db2.gz RBVIUBLISFXYFI-ZDUSSCGKSA-N -1 0 342.417 1.168 50 0 EDAARM CSCC[C@](C)(O)C[N-]S(=O)(=O)c1c(F)cccc1F ZINC000075157560 441504570 /nfs/dbraw/zinc/50/45/70/441504570.db2.gz PXLSBDDPQOOBDF-LBPRGKRZSA-N -1 0 325.402 1.747 50 0 EDAARM Cc1ccc2c(c1)N(CCC(=O)NCCC(=O)[O-])C(=O)C(C)(C)O2 ZINC000033520768 441596149 /nfs/dbraw/zinc/59/61/49/441596149.db2.gz VQZGAHKUPSTTRL-UHFFFAOYSA-N -1 0 334.372 1.480 50 0 EDAARM COC[C@H](C)S(=O)(=O)[N-]C(=O)c1coc(-c2csc(C)n2)c1 ZINC000113698685 441623241 /nfs/dbraw/zinc/62/32/41/441623241.db2.gz VHCMLICGGDUNQK-QMMMGPOBSA-N -1 0 344.414 1.806 50 0 EDAARM C[C@@H](C(=O)[O-])N1CC2(CCC1=O)CCN(c1ncc(F)cn1)CC2 ZINC000091416409 441699419 /nfs/dbraw/zinc/69/94/19/441699419.db2.gz BTEIWRHOJAYQSA-NSHDSACASA-N -1 0 336.367 1.298 50 0 EDAARM CC(C)(CC(=O)Nc1cccc(Cn2cccnc2=O)c1)C(=O)[O-] ZINC000115605687 441765445 /nfs/dbraw/zinc/76/54/45/441765445.db2.gz OJLZMAMSMMDYLG-UHFFFAOYSA-N -1 0 329.356 1.731 50 0 EDAARM CC(C)C(=O)N1CCN(Cc2c([O-])nnn2-c2ccccc2)CC1 ZINC000057085227 441784745 /nfs/dbraw/zinc/78/47/45/441784745.db2.gz GEWOVUKFMZZXHH-UHFFFAOYSA-N -1 0 329.404 1.273 50 0 EDAARM Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H]1CCC[C@H]1C(=O)[O-] ZINC000141342628 441849889 /nfs/dbraw/zinc/84/98/89/441849889.db2.gz FMNUVNDJDSNNMV-NXEZZACHSA-N -1 0 332.385 1.892 50 0 EDAARM CCN(CC)C(=O)N1CCC[C@@H](C(=O)N(CC(=O)[O-])C2CC2)C1 ZINC000095969891 441964732 /nfs/dbraw/zinc/96/47/32/441964732.db2.gz OVVXHWYMOIBGNR-GFCCVEGCSA-N -1 0 325.409 1.236 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2cc(S(C)(=O)=O)ccc2C)nc1 ZINC000069675110 442008771 /nfs/dbraw/zinc/00/87/71/442008771.db2.gz BOWPHCLKRYHQML-UHFFFAOYSA-N -1 0 340.426 1.903 50 0 EDAARM COC(=O)Nc1cccc(C(=O)[N-]S(=O)(=O)c2ccccc2)c1 ZINC000069701544 442014908 /nfs/dbraw/zinc/01/49/08/442014908.db2.gz WRUMMAWFZBHJHH-UHFFFAOYSA-N -1 0 334.353 1.984 50 0 EDAARM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)NC[C@@H]2CN(C)CCO2)n1 ZINC000175907446 442143588 /nfs/dbraw/zinc/14/35/88/442143588.db2.gz SJFPWBWAKHBDMM-CYBMUJFWSA-N -1 0 348.378 1.086 50 0 EDAARM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1nnc2ccccn21 ZINC000097085651 442165515 /nfs/dbraw/zinc/16/55/15/442165515.db2.gz XMPSSQJTZDWOIR-UHFFFAOYSA-N -1 0 348.432 1.999 50 0 EDAARM O=C(C[C@H]1OCCc2ccsc21)[N-]S(=O)(=O)c1cccnc1 ZINC000170621156 442237467 /nfs/dbraw/zinc/23/74/67/442237467.db2.gz SBCJRQUDPMGXFG-GFCCVEGCSA-N -1 0 338.410 1.652 50 0 EDAARM C[C@@H](OC[C@H]1CCCO1)C(=O)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000170625789 442237913 /nfs/dbraw/zinc/23/79/13/442237913.db2.gz FESWOALIBQMSLM-MWLCHTKSSA-N -1 0 348.808 1.124 50 0 EDAARM C[C@H](C(=O)[N-]S(=O)(=O)c1cnccn1)c1c(F)cccc1F ZINC000156219053 442455783 /nfs/dbraw/zinc/45/57/83/442455783.db2.gz FZCGHIRXPDFQNR-QMMMGPOBSA-N -1 0 327.312 1.363 50 0 EDAARM CC[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H]1CCCCN1C(=O)c1ccco1 ZINC000181911860 442721377 /nfs/dbraw/zinc/72/13/77/442721377.db2.gz GIWTZHZIVDCYHA-NEPJUHHUSA-N -1 0 342.417 1.519 50 0 EDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccco3)C2)cc1 ZINC000194119424 442847924 /nfs/dbraw/zinc/84/79/24/442847924.db2.gz ILUNVFKRSBMTLU-CQSZACIVSA-N -1 0 342.351 1.643 50 0 EDAARM CCOC1(C(=O)[N-]S(=O)(=O)N(C)c2ccccc2)CCCC1 ZINC000252484362 443028900 /nfs/dbraw/zinc/02/89/00/443028900.db2.gz FUUKWCZHDPEKSL-UHFFFAOYSA-N -1 0 326.418 1.833 50 0 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EDAARM Cc1cc(F)cc(S(=O)(=O)[N-]c2cncnc2-n2cccn2)c1 ZINC000097165116 442178618 /nfs/dbraw/zinc/17/86/18/442178618.db2.gz CVQIRJDNFGGPPX-UHFFFAOYSA-N -1 0 333.348 1.911 50 0 EDAARM COc1cccc(S(=O)(=O)[N-]C(=O)[C@H](C)NC(=O)C(C)(C)C)c1 ZINC000170599893 442234197 /nfs/dbraw/zinc/23/41/97/442234197.db2.gz VJZAOMLLLGCFOB-JTQLQIEISA-N -1 0 342.417 1.051 50 0 EDAARM CN(CC(=O)N1CCC[C@@H](C(=O)[O-])C1)C(=O)c1cccc2c1CCC2 ZINC000192905014 442696974 /nfs/dbraw/zinc/69/69/74/442696974.db2.gz NPXDTWQVDSDWBD-CQSZACIVSA-N -1 0 344.411 1.571 50 0 EDAARM COC(=O)CCc1nnc([N-]C(=O)c2nc3cccnc3s2)s1 ZINC000252488198 443030441 /nfs/dbraw/zinc/03/04/41/443030441.db2.gz INHMCUVLIUZQHA-UHFFFAOYSA-N -1 0 349.397 1.901 50 0 EDAARM COC(C)(C)CCS(=O)(=O)[N-]C(=O)[C@@H]1CCCc2nn(C)cc21 ZINC000253430445 443068596 /nfs/dbraw/zinc/06/85/96/443068596.db2.gz JFBOFDOUYPBJTG-LLVKDONJSA-N -1 0 343.449 1.101 50 0 EDAARM CCCn1ncnc1[C@H](C)NC(=O)c1[n-]c(=O)nc2ccccc21 ZINC000223112919 443085072 /nfs/dbraw/zinc/08/50/72/443085072.db2.gz ZPJQDQKFQWJJFX-JTQLQIEISA-N -1 0 326.360 1.416 50 0 EDAARM O=C([O-])c1csc(CNC(=O)[C@H]2CC(=O)N(Cc3ccco3)C2)n1 ZINC000268912439 443145170 /nfs/dbraw/zinc/14/51/70/443145170.db2.gz YYILEGKIBLQXFA-VIFPVBQESA-N -1 0 349.368 1.099 50 0 EDAARM COC(=O)c1scnc1C=Cc1nc(C)c(CCC(=O)[O-])c(=O)[nH]1 ZINC000225690074 443118344 /nfs/dbraw/zinc/11/83/44/443118344.db2.gz SGUMHOAEOGPXKF-SNAWJCMRSA-N -1 0 349.368 1.509 50 0 EDAARM O=C([O-])[C@H](NC(=O)C1CCN(c2cnccn2)CC1)c1ccccc1 ZINC000238008842 443191701 /nfs/dbraw/zinc/19/17/01/443191701.db2.gz AZMPZERJRWDCCE-MRXNPFEDSA-N -1 0 340.383 1.635 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)c2cccc(N3CCCC3=O)c2)CCO1 ZINC000262427857 443194023 /nfs/dbraw/zinc/19/40/23/443194023.db2.gz IHACHDVSRKQECN-AWEZNQCLSA-N -1 0 332.356 1.129 50 0 EDAARM O=C([O-])[C@H]1CCCN1C(=O)COc1ccc(N2CCCC2=O)cc1 ZINC000263264387 443227985 /nfs/dbraw/zinc/22/79/85/443227985.db2.gz GZKACSQDAYIPPA-CQSZACIVSA-N -1 0 332.356 1.268 50 0 EDAARM COc1cccc(CN(C[C@@H]2CCCO2)C(=O)[C@@H]2C[C@@H]2C(=O)[O-])c1 ZINC000262635101 443205247 /nfs/dbraw/zinc/20/52/47/443205247.db2.gz OZXIBHJAGSGICO-XHSDSOJGSA-N -1 0 333.384 1.924 50 0 EDAARM CCN(C(=O)c1s[n-]c(=O)c1Cl)[C@H](C)CS(C)(=O)=O ZINC000283063649 443511526 /nfs/dbraw/zinc/51/15/26/443511526.db2.gz MVERXANVVRPDEP-ZCFIWIBFSA-N -1 0 326.827 1.397 50 0 EDAARM CCOc1ccccc1OCC(=O)N[C@@]1(C(=O)[O-])CCSC1 ZINC000271899187 443518019 /nfs/dbraw/zinc/51/80/19/443518019.db2.gz XSQXELVLWMUOIZ-HNNXBMFYSA-N -1 0 325.386 1.541 50 0 EDAARM CSCC[C@H](NC(=O)c1cccc(N2CCNC2=O)c1)C(=O)[O-] ZINC000426501703 447458485 /nfs/dbraw/zinc/45/84/85/447458485.db2.gz CYOJRIPVSWXFTF-LBPRGKRZSA-N -1 0 337.401 1.152 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(OCc3ccccn3)cc2)CCO1 ZINC000427984247 447672013 /nfs/dbraw/zinc/67/20/13/447672013.db2.gz ONHOYXLERZPZFP-INIZCTEOSA-N -1 0 342.351 1.586 50 0 EDAARM Cc1cc2ncc(C(=O)N(C)Cc3noc(CC(C)C)n3)c(=O)n2[n-]1 ZINC000584885113 448663847 /nfs/dbraw/zinc/66/38/47/448663847.db2.gz NCUIVLGQAWYFEP-UHFFFAOYSA-N -1 0 344.375 1.185 50 0 EDAARM CC(C)c1ccc(Cl)c(S(=O)(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000575012158 449014472 /nfs/dbraw/zinc/01/44/72/449014472.db2.gz OXDICRSQYRLVJL-GFCCVEGCSA-N -1 0 347.820 1.938 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)/C=C\c2ccc(N3CCCC3=O)cc2)C1 ZINC000606441199 449468168 /nfs/dbraw/zinc/46/81/68/449468168.db2.gz YPZRXWMFQNLOFP-BMWLXYDHSA-N -1 0 328.368 1.760 50 0 EDAARM Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H](Cc1ccncc1)C(=O)[O-] ZINC000655600926 452422495 /nfs/dbraw/zinc/42/24/95/452422495.db2.gz MAHPRQBPMXRASK-QMTHXVAHSA-N -1 0 330.388 1.348 50 0 EDAARM CC(C)n1ncc2cc(C(=O)Nc3cnn(CC(=O)[O-])c3)cnc21 ZINC000647745402 452479247 /nfs/dbraw/zinc/47/92/47/452479247.db2.gz ZDDSFUDVBYCPBY-UHFFFAOYSA-N -1 0 328.332 1.546 50 0 EDAARM O=C([O-])C1(NC(=O)COc2ccc(Br)cc2F)CC1 ZINC000203663939 486245880 /nfs/dbraw/zinc/24/58/80/486245880.db2.gz LZONHJIERWKPRX-UHFFFAOYSA-N -1 0 332.125 1.700 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000269186835 526279097 /nfs/dbraw/zinc/27/90/97/526279097.db2.gz MYFOPDQXORLGEJ-SECBINFHSA-N -1 0 337.763 1.416 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)/C=C/c1csc(Br)c1 ZINC000268964771 526288441 /nfs/dbraw/zinc/28/84/41/526288441.db2.gz CAAGJRODCSKTIM-VWCDRPFISA-N -1 0 346.202 1.836 50 0 EDAARM CC1CCC(N2C[C@@H](C(=O)N3CCC[C@H](C(=O)[O-])C3)CC2=O)CC1 ZINC000136126964 528195646 /nfs/dbraw/zinc/19/56/46/528195646.db2.gz LTSGWGKGBZRIIH-GQKFXUNGSA-N -1 0 336.432 1.737 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2cnnn2C)c(C(=O)C(F)(F)F)c1 ZINC000864096903 596754137 /nfs/dbraw/zinc/75/41/37/596754137.db2.gz SEKXJMYMFGCAIG-UHFFFAOYSA-N -1 0 348.306 1.669 50 0 EDAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000236601511 599808487 /nfs/dbraw/zinc/80/84/87/599808487.db2.gz VROLWXRRQIFLTA-HNNXBMFYSA-N -1 0 330.384 1.868 50 0 EDAARM CN(c1nc(O)c([C@@H]2SC(=O)[N-]C2=O)s1)c1ccc(O)cc1 ZINC000100608768 219102511 /nfs/dbraw/zinc/10/25/11/219102511.db2.gz VMSZLSYXYCFZRZ-BDAKNGLRSA-N -1 0 337.382 1.178 50 0 EDAARM CCOC(=O)c1[n-]n(N=O)c2c(O)n(-c3ccc(CC)cc3)c(=O)c1-2 ZINC000101005183 219113649 /nfs/dbraw/zinc/11/36/49/219113649.db2.gz QGYZDBKPWFYVGA-WCQYABFASA-N -1 0 344.327 1.023 50 0 EDAARM C[C@H](CN(C)C(=O)[C@@H]1CC(=O)N([C@@H](C)c2ccccc2)C1)C(=O)[O-] ZINC000178221083 232111347 /nfs/dbraw/zinc/11/13/47/232111347.db2.gz WQNMSVVXZCVECP-VNHYZAJKSA-N -1 0 332.400 1.775 50 0 EDAARM CCN(CC)S(=O)(=O)c1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1 ZINC000003457872 210045010 /nfs/dbraw/zinc/04/50/10/210045010.db2.gz XNCZUJCDBHKBLN-NSHDSACASA-N -1 0 340.401 1.155 50 0 EDAARM CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCc2c(nc(C)n2CCO)C1 ZINC000685940395 539578081 /nfs/dbraw/zinc/57/80/81/539578081.db2.gz INQAWAKCUBFYCH-LBPRGKRZSA-N -1 0 337.420 1.048 50 0 EDAARM O=C([O-])CNC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Cl ZINC000002978544 209947890 /nfs/dbraw/zinc/94/78/90/209947890.db2.gz LFUQAKXOGVHIFI-MDWZMJQESA-N -1 0 348.742 1.905 50 0 EDAARM Cn1ccnc1-c1c(-c2ccccc2)ncn1CCc1n[nH]c(=O)[n-]1 ZINC000067872280 215235858 /nfs/dbraw/zinc/23/58/58/215235858.db2.gz PTPNVUHULLNDFF-UHFFFAOYSA-N -1 0 335.371 1.605 50 0 EDAARM O=C([O-])c1cc(S(=O)(=O)N2CCCC2)c(Br)s1 ZINC000036969060 213129178 /nfs/dbraw/zinc/12/91/78/213129178.db2.gz URHKQIYEEPOBGA-UHFFFAOYSA-N -1 0 340.220 1.993 50 0 EDAARM CC[C@@H](Sc1n[nH]c(=O)[n-]c1=O)C(=O)Nc1cccc(OC)c1 ZINC000071405381 215768477 /nfs/dbraw/zinc/76/84/77/215768477.db2.gz POQNWWRYPLHMQK-SNVBAGLBSA-N -1 0 336.373 1.389 50 0 EDAARM O=C([O-])c1cccc(C[C@H]2CCN(C(=O)CCn3cnnc3)C2)c1 ZINC000072145194 216032582 /nfs/dbraw/zinc/03/25/82/216032582.db2.gz YBBLIECNHJSPMV-CQSZACIVSA-N -1 0 328.372 1.458 50 0 EDAARM COc1nc2ccccc2cc1-c1nccn1CCc1n[nH]c(=O)[n-]1 ZINC000072149107 216036896 /nfs/dbraw/zinc/03/68/96/216036896.db2.gz LKVWRQQTXIOQBE-UHFFFAOYSA-N -1 0 336.355 1.761 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)c1cc(C(C)(C)C)n[nH]1 ZINC000072270788 216093293 /nfs/dbraw/zinc/09/32/93/216093293.db2.gz SGINATSYNDGJOX-UHFFFAOYSA-N -1 0 326.378 1.431 50 0 EDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)[C@H](C)n3ccnc3C)CC2)c1 ZINC000072425797 216216766 /nfs/dbraw/zinc/21/67/66/216216766.db2.gz KJUJUBJSGWEUFL-ZDUSSCGKSA-N -1 0 345.403 1.360 50 0 EDAARM O=C([C@@H]1CCOc2ccccc2C1)N1CCc2nc[nH]c(=O)c2CC1 ZINC000096180587 296041218 /nfs/dbraw/zinc/04/12/18/296041218.db2.gz NXUMMIINHFJEHD-CQSZACIVSA-N -1 0 339.395 1.339 50 0 EDAARM Cc1cc2cccc(C(=O)N[C@@H]3COCC[C@@H]3OCC(=O)[O-])c2o1 ZINC000219339862 241382256 /nfs/dbraw/zinc/38/22/56/241382256.db2.gz XQEYCCQFOOKTCH-KGLIPLIRSA-N -1 0 333.340 1.730 50 0 EDAARM CCOC(=O)c1cc(S(=O)(=O)[N-]c2ccc(N(C)C)cc2)n[nH]1 ZINC000021096398 212205968 /nfs/dbraw/zinc/20/59/68/212205968.db2.gz RGEPXCICIZGFRP-UHFFFAOYSA-N -1 0 338.389 1.453 50 0 EDAARM Cc1nc(NC(=O)CN(Cc2nccn2C)C2CC2)sc1C(=O)[O-] ZINC000244716278 243065768 /nfs/dbraw/zinc/06/57/68/243065768.db2.gz LMCTZFZMAOEJBH-UHFFFAOYSA-N -1 0 349.416 1.486 50 0 EDAARM COc1ccc([C@@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)c(OC)c1OC ZINC000020736815 212167216 /nfs/dbraw/zinc/16/72/16/212167216.db2.gz KVLWZZSFJJPYON-NSHDSACASA-N -1 0 346.343 1.596 50 0 EDAARM COCCNC(=O)[C@@H](C)Oc1ccc(C(=O)[O-])cc1Br ZINC000013316405 211543238 /nfs/dbraw/zinc/54/32/38/211543238.db2.gz XKJWXWIXQSEJCZ-MRVPVSSYSA-N -1 0 346.177 1.677 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1ccc(F)c(Br)c1 ZINC000268989583 304199777 /nfs/dbraw/zinc/19/97/77/304199777.db2.gz RUGCCTVDHNEDPW-LLVKDONJSA-N -1 0 346.152 1.443 50 0 EDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1cccc(-n2cccn2)c1 ZINC000096148195 304205201 /nfs/dbraw/zinc/20/52/01/304205201.db2.gz VJLQDAQNGJKFMZ-OAHLLOKOSA-N -1 0 337.339 1.247 50 0 EDAARM COc1ccccc1[N-]S(=O)(=O)c1cnc(NC(C)=O)s1 ZINC000012379815 211362265 /nfs/dbraw/zinc/36/22/65/211362265.db2.gz SHEMTVHYSUNERQ-UHFFFAOYSA-N -1 0 327.387 1.911 50 0 EDAARM COc1cccc([N-]S(=O)(=O)c2cnc(NC(C)=O)s2)c1 ZINC000012379811 211361622 /nfs/dbraw/zinc/36/16/22/211361622.db2.gz NKADIWGDHFMORM-UHFFFAOYSA-N -1 0 327.387 1.911 50 0 EDAARM COc1cnc(N2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)nc1 ZINC000091563225 218022576 /nfs/dbraw/zinc/02/25/76/218022576.db2.gz ZQSQOLIQYBJACF-LBPRGKRZSA-N -1 0 348.403 1.167 50 0 EDAARM Cc1cc(C(=O)N2CCC3(CCC(=O)N([C@@H](C)C(=O)[O-])C3)CC2)n[nH]1 ZINC000091694366 218049433 /nfs/dbraw/zinc/04/94/33/218049433.db2.gz WTXVWGKSGRJVAX-LBPRGKRZSA-N -1 0 348.403 1.036 50 0 EDAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(C(=O)c1cc(C)c[nH]1)CC2 ZINC000091656183 218041461 /nfs/dbraw/zinc/04/14/61/218041461.db2.gz ITGYCAZOZGUMQS-CQSZACIVSA-N -1 0 333.388 1.251 50 0 EDAARM CSCC[C@H](NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)C(=O)[O-] ZINC000095356105 218289583 /nfs/dbraw/zinc/28/95/83/218289583.db2.gz FAANDPPHMPUWJM-NSHDSACASA-N -1 0 335.385 1.718 50 0 EDAARM CN(C)C(=O)N1CCC[C@H](C(=O)NCc2ccc(C(=O)[O-])s2)C1 ZINC000095519484 218425293 /nfs/dbraw/zinc/42/52/93/218425293.db2.gz VNZXVSMREZBMFW-JTQLQIEISA-N -1 0 339.417 1.456 50 0 EDAARM C[C@@H](CNC(=O)C1=NN(Cc2ccccc2)C(=O)CC1)CC(=O)[O-] ZINC000262122347 139252784 /nfs/dbraw/zinc/25/27/84/139252784.db2.gz GUSRVDMWXQQGIU-GFCCVEGCSA-N -1 0 331.372 1.392 50 0 EDAARM O=C([O-])c1cc2sc(N3CC(O)C3)nc2c(Br)c1 ZINC000225521027 304230079 /nfs/dbraw/zinc/23/00/79/304230079.db2.gz RXHGWZNASQPBLM-UHFFFAOYSA-N -1 0 329.175 1.938 50 0 EDAARM CCCS(=O)(=O)Nc1cccc(NC(=O)[C@H]2C[C@H]2C(=O)[O-])c1 ZINC000262392178 139275658 /nfs/dbraw/zinc/27/56/58/139275658.db2.gz KPBOWYUWZXNMIZ-NWDGAFQWSA-N -1 0 326.374 1.498 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000152515538 223977366 /nfs/dbraw/zinc/97/73/66/223977366.db2.gz JDUBMWLCWSQASU-YOEHRIQHSA-N -1 0 343.408 1.576 50 0 EDAARM O=C([O-])[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1csc(-c2cnccn2)n1 ZINC000263097352 139322233 /nfs/dbraw/zinc/32/22/33/139322233.db2.gz VTDGHLMJUWKGRV-BREBYQMCSA-N -1 0 344.396 1.925 50 0 EDAARM O=C([O-])c1ccc(S(=O)(=O)[N-]c2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000078737092 304250445 /nfs/dbraw/zinc/25/04/45/304250445.db2.gz DCRXETLFYNWRMI-UHFFFAOYSA-N -1 0 344.352 1.766 50 0 EDAARM CSC[C@@H]1CCCN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C1 ZINC000097425467 219023696 /nfs/dbraw/zinc/02/36/96/219023696.db2.gz LIPZTXRHFVBMAI-GFCCVEGCSA-N -1 0 347.440 1.958 50 0 EDAARM CNC(=O)[C@@H]1CCCC[C@@H]1c1nc(CCSC)nn1CC(=O)[O-] ZINC000097514906 219032546 /nfs/dbraw/zinc/03/25/46/219032546.db2.gz YQRIDPVSBNTAOJ-WDEREUQCSA-N -1 0 340.449 1.288 50 0 EDAARM O=C([O-])[C@@H](NC(=O)c1cccc([C@@H]2CCOC2)c1)[C@@H]1CCCOC1 ZINC000263361653 139337982 /nfs/dbraw/zinc/33/79/82/139337982.db2.gz UNLUAJSOWNETJL-OAGGEKHMSA-N -1 0 333.384 1.800 50 0 EDAARM O=C([O-])c1cnc(C(=O)N2CCC[C@H](Nc3ccccc3)C2)cn1 ZINC000263380407 139339134 /nfs/dbraw/zinc/33/91/34/139339134.db2.gz BMZGLIRCYDKUMO-ZDUSSCGKSA-N -1 0 326.356 1.892 50 0 EDAARM Cc1cc(C)n2nc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])nc2n1 ZINC000261640004 257943471 /nfs/dbraw/zinc/94/34/71/257943471.db2.gz IHLZGLVNRVVBKT-XQQFMLRXSA-N -1 0 343.387 1.599 50 0 EDAARM COc1cc(-c2noc(CN3CCOC[C@H]3C(=O)[O-])n2)ccc1C ZINC000328600720 258041066 /nfs/dbraw/zinc/04/10/66/258041066.db2.gz ZFNXBPMSIWEBTL-LBPRGKRZSA-N -1 0 333.344 1.339 50 0 EDAARM C[C@@H]1C[C@H]1N1C[C@H](NC(=O)CCc2ccc(C(=O)[O-])cc2)CC1=O ZINC000299748842 257985663 /nfs/dbraw/zinc/98/56/63/257985663.db2.gz IKJKMDJILPSKPS-KCPJHIHWSA-N -1 0 330.384 1.443 50 0 EDAARM O=C([O-])CCN(C[C@H]1CCCO1)C(=O)[C@@H]1Cc2cccc(F)c2O1 ZINC000299753831 258006494 /nfs/dbraw/zinc/00/64/94/258006494.db2.gz ZMMJYQAJZNDWPJ-OCCSQVGLSA-N -1 0 337.347 1.612 50 0 EDAARM Cc1oc(CN(C)C(=O)[C@@H](C)OC[C@H]2CCCO2)cc1C(=O)[O-] ZINC000299750585 258007616 /nfs/dbraw/zinc/00/76/16/258007616.db2.gz NZNXBYZTBUKJBB-VXGBXAGGSA-N -1 0 325.361 1.829 50 0 EDAARM O=C([O-])CCN(C(=O)COc1ccccc1F)C1CCOCC1 ZINC000299749066 258007788 /nfs/dbraw/zinc/00/77/88/258007788.db2.gz JBBGYKABEYSZPH-UHFFFAOYSA-N -1 0 325.336 1.687 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2OC[C@H]2CCCO2)CCO1 ZINC000299748216 258007956 /nfs/dbraw/zinc/00/79/56/258007956.db2.gz GLWDDBVRYNXGIV-ZIAGYGMSSA-N -1 0 349.383 1.560 50 0 EDAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCc1cc(Br)cs1 ZINC000299746041 258008354 /nfs/dbraw/zinc/00/83/54/258008354.db2.gz UWQREKHUHLXFTR-JTQLQIEISA-N -1 0 347.234 1.676 50 0 EDAARM CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299746827 258008731 /nfs/dbraw/zinc/00/87/31/258008731.db2.gz BGUOCEXKPHYDJO-JKSUJKDBSA-N -1 0 344.367 1.263 50 0 EDAARM O=C([O-])c1cnc(N2CC[C@H]3[C@H](C2)OCc2cnnn23)c(Cl)c1 ZINC000299783168 258091339 /nfs/dbraw/zinc/09/13/39/258091339.db2.gz QXGROFFEFFORMO-RYUDHWBXSA-N -1 0 335.751 1.375 50 0 EDAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCCN(c3ncccn3)C2)c1 ZINC000179088346 135591946 /nfs/dbraw/zinc/59/19/46/135591946.db2.gz KJOUKKCRKOKQOC-CQSZACIVSA-N -1 0 326.356 1.574 50 0 EDAARM CC[C@@H]1[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])cc2)[C@@H]2CCO[C@H]12 ZINC000220551017 287349058 /nfs/dbraw/zinc/34/90/58/287349058.db2.gz VALAELGONLSOGQ-XJFOESAGSA-N -1 0 325.386 1.477 50 0 EDAARM CC1=C[C@H](c2ccccc2)N2N=C(NC(=O)CCC(=O)[O-])NC2=N1 ZINC000006782720 281696757 /nfs/dbraw/zinc/69/67/57/281696757.db2.gz DDRZOYPCABIDOL-GFCCVEGCSA-N -1 0 327.344 1.158 50 0 EDAARM C[C@@H]1Oc2c(cccc2C(=O)N(CC(=O)[O-])C2CCOCC2)NC1=O ZINC000531747819 305965525 /nfs/dbraw/zinc/96/55/25/305965525.db2.gz CBBUCWFYUCSLPH-JTQLQIEISA-N -1 0 348.355 1.112 50 0 EDAARM CC(C)(C)c1ccc(NC(=O)CSc2n[nH]c(=O)[n-]c2=O)cc1 ZINC000001282722 440840122 /nfs/dbraw/zinc/84/01/22/440840122.db2.gz GZCHEJXFFDILCF-UHFFFAOYSA-N -1 0 334.401 1.487 50 0 EDAARM COc1ccc2c(C)c(CCC(=O)NCCC(=O)[O-])c(=O)oc2c1C ZINC000002107752 440856694 /nfs/dbraw/zinc/85/66/94/440856694.db2.gz XFDHVUOUAMOFKP-UHFFFAOYSA-N -1 0 347.367 1.942 50 0 EDAARM COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]C(C)=O)cc2)c1 ZINC000002779975 440876756 /nfs/dbraw/zinc/87/67/56/440876756.db2.gz YCLKYPVDRKGQND-UHFFFAOYSA-N -1 0 348.380 1.772 50 0 EDAARM Cc1nc2nc(CNC(=O)OC(C)(C)C)nn2c(C)c1CCC(=O)[O-] ZINC000006808231 441017411 /nfs/dbraw/zinc/01/74/11/441017411.db2.gz DQOGYNFQOXRVRM-UHFFFAOYSA-N -1 0 349.391 1.783 50 0 EDAARM COc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1 ZINC000007708158 441065357 /nfs/dbraw/zinc/06/53/57/441065357.db2.gz IYMRLIZQSTVZJH-UHFFFAOYSA-N -1 0 342.398 1.143 50 0 EDAARM Cc1ccnc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)c1 ZINC000057280246 441104582 /nfs/dbraw/zinc/10/45/82/441104582.db2.gz VYIYRDRLIZLVIP-UHFFFAOYSA-N -1 0 345.424 2.445 50 0 EDAARM O=C(NCCc1ccccc1)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102990139 441174014 /nfs/dbraw/zinc/17/40/14/441174014.db2.gz IQTYWKIUZYZUPV-UHFFFAOYSA-N -1 0 337.383 1.333 50 0 EDAARM O=C(Nc1ccc(F)cc1F)N1CCc2c(=O)n3[n-]ccc3nc2C1 ZINC000102990145 441174229 /nfs/dbraw/zinc/17/42/29/441174229.db2.gz VWWIFCZTHDWEKJ-UHFFFAOYSA-N -1 0 345.309 1.891 50 0 EDAARM COCCNC(=O)Nc1ccc2nc([N-]S(C)(=O)=O)sc2c1 ZINC000013348899 441158060 /nfs/dbraw/zinc/15/80/60/441158060.db2.gz OGRRPWSWYBXSBA-UHFFFAOYSA-N -1 0 344.418 1.436 50 0 EDAARM O=C([O-])[C@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000017071844 441237114 /nfs/dbraw/zinc/23/71/14/441237114.db2.gz FKTTVMUTXAEHHI-WUCCLRPBSA-N -1 0 344.415 1.262 50 0 EDAARM COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])c(OC)c2c1OCO2 ZINC000015108214 441196351 /nfs/dbraw/zinc/19/63/51/441196351.db2.gz HFHDDBIDYBKLKK-MVIFTORASA-N -1 0 349.339 1.521 50 0 EDAARM CCS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cc(C)ccn2)cc1 ZINC000075128334 441499127 /nfs/dbraw/zinc/49/91/27/441499127.db2.gz MLACVOKHCHCYCZ-UHFFFAOYSA-N -1 0 340.426 1.984 50 0 EDAARM O=C([O-])c1nc(S(=O)(=O)Cc2ccccc2F)ncc1Cl ZINC000032623456 441561396 /nfs/dbraw/zinc/56/13/96/441561396.db2.gz DQXBBFUNYZLJLU-UHFFFAOYSA-N -1 0 330.724 1.941 50 0 EDAARM O=C1CNC(=O)N1c1cccc([N-]S(=O)(=O)c2ccccc2F)c1 ZINC000032598890 441561695 /nfs/dbraw/zinc/56/16/95/441561695.db2.gz AORDPBYZAYZBDW-UHFFFAOYSA-N -1 0 349.343 1.683 50 0 EDAARM CCC[C@](C)(NC(=O)c1ccc([C@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000089949441 441603234 /nfs/dbraw/zinc/60/32/34/441603234.db2.gz XSQWIDRRLSVITA-IRXDYDNUSA-N -1 0 347.371 1.114 50 0 EDAARM Cc1nn(C)c(C)c1CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cccnc1 ZINC000069493020 441952366 /nfs/dbraw/zinc/95/23/66/441952366.db2.gz XCTFKOGQSIJURK-RHSMWYFYSA-N -1 0 342.399 1.996 50 0 EDAARM COc1ccc(CN2C[C@H](C(=O)[N-]O[C@@H]3CCCCO3)CC2=O)cc1 ZINC000069619705 441991987 /nfs/dbraw/zinc/99/19/87/441991987.db2.gz YFYIKXGIVGKFMC-RHSMWYFYSA-N -1 0 348.399 1.618 50 0 EDAARM COC(=O)c1[nH]c(C)cc1[N-]S(=O)(=O)c1c(C)nn(C)c1Cl ZINC000069811210 442046077 /nfs/dbraw/zinc/04/60/77/442046077.db2.gz OVDPNMNBBVRDPO-UHFFFAOYSA-N -1 0 346.796 1.606 50 0 EDAARM Cc1nnc(C2CCN(C(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2)[nH]1 ZINC000426445176 447446708 /nfs/dbraw/zinc/44/67/08/447446708.db2.gz WMBAJLKASICKOF-AWEZNQCLSA-N -1 0 343.387 1.828 50 0 EDAARM COc1cccc([C@H]2C[C@@H]2C(=O)[N-]S(=O)(=O)Cc2ccon2)c1 ZINC000170649776 442241433 /nfs/dbraw/zinc/24/14/33/442241433.db2.gz PZKZKIPUMPDLTC-KGLIPLIRSA-N -1 0 336.369 1.433 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)C1 ZINC000178260004 442419418 /nfs/dbraw/zinc/41/94/18/442419418.db2.gz NYKZXTFZTIOXRX-CABCVRRESA-N -1 0 334.391 1.971 50 0 EDAARM Cc1nc(CS(=O)(=O)c2nnc(-c3cc(F)cc(F)c3)[n-]2)no1 ZINC000195214851 442996631 /nfs/dbraw/zinc/99/66/31/442996631.db2.gz ACWPGLOBQGNFIK-UHFFFAOYSA-N -1 0 341.299 1.415 50 0 EDAARM COC(=O)[C@H](C)[C@H](C)S(=O)(=O)[N-]C(=O)[C@H](C)c1cccs1 ZINC000252492716 443032590 /nfs/dbraw/zinc/03/25/90/443032590.db2.gz MTQRVONNUQEGSV-BBBLOLIVSA-N -1 0 333.431 1.495 50 0 EDAARM Cc1cc(=O)[nH]c(S[C@H](C)C(=O)N(C)CCCc2nccn2C)n1 ZINC000223273746 443087145 /nfs/dbraw/zinc/08/71/45/443087145.db2.gz ZUUNJLZEKJNPOR-GFCCVEGCSA-N -1 0 349.460 1.384 50 0 EDAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)CCCCc1ccccc1 ZINC000223934016 443095743 /nfs/dbraw/zinc/09/57/43/443095743.db2.gz HTIWZNIAZSTDBI-HZPDHXFCSA-N -1 0 335.400 1.774 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnc(Cl)c(Br)c1)C1CC1 ZINC000253424558 443065560 /nfs/dbraw/zinc/06/55/60/443065560.db2.gz HWZUJVKMKZANOC-UHFFFAOYSA-N -1 0 339.598 1.712 50 0 EDAARM COc1ccc(/C=C\C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)[O-])cc1 ZINC000222049070 443074655 /nfs/dbraw/zinc/07/46/55/443074655.db2.gz LUUXOIGPAPNOAD-BRNRAETOSA-N -1 0 334.372 1.193 50 0 EDAARM Cc1ccc(OCC(=O)N[C@@H]2CCOC[C@H]2OCC(=O)[O-])cc1C ZINC000222784243 443081733 /nfs/dbraw/zinc/08/17/33/443081733.db2.gz AZUHOIUMQAVFAN-HUUCEWRRSA-N -1 0 337.372 1.057 50 0 EDAARM Cc1nn(CC(=O)N[C@H](Cc2ccccc2)C(=O)[O-])c(C)c1Cl ZINC000225466932 443105605 /nfs/dbraw/zinc/10/56/05/443105605.db2.gz CTAVPMGQXPLHGZ-CYBMUJFWSA-N -1 0 335.791 1.965 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCc1cnn(-c2ccccc2)c1 ZINC000268977175 443164102 /nfs/dbraw/zinc/16/41/02/443164102.db2.gz KRFFGZREATZPIT-HNNXBMFYSA-N -1 0 329.356 1.117 50 0 EDAARM Cc1ccc(N2CC[C@H](C(=O)N3CC[C@@](C)(C(=O)[O-])C3)C2=O)cc1 ZINC000237639512 443178449 /nfs/dbraw/zinc/17/84/49/443178449.db2.gz UQLNACSLFHNVQJ-RDTXWAMCSA-N -1 0 330.384 1.671 50 0 EDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)CC[C@H]2Cc3ccccc3NC2=O)C1 ZINC000237643886 443178480 /nfs/dbraw/zinc/17/84/80/443178480.db2.gz DADUWSKGAVZFND-SCLBCKFNSA-N -1 0 330.384 1.901 50 0 EDAARM Cc1noc(CCCC(=O)N2Cc3ccccc3C[C@@H]2C(=O)[O-])n1 ZINC000237685854 443179798 /nfs/dbraw/zinc/17/97/98/443179798.db2.gz BOXKZHMDWBSBFA-CQSZACIVSA-N -1 0 329.356 1.739 50 0 EDAARM O=C([O-])CC[C@H]1CCCN(C(=O)Cn2nnc(-c3ccccc3)n2)C1 ZINC000238011643 443192885 /nfs/dbraw/zinc/19/28/85/443192885.db2.gz OYZAKAWGDGZYCQ-CYBMUJFWSA-N -1 0 343.387 1.444 50 0 EDAARM O=C([O-])CN(C(=O)c1cccc(-n2cccn2)c1)C1CCOCC1 ZINC000238114094 443194537 /nfs/dbraw/zinc/19/45/37/443194537.db2.gz XQUGYWRSZAOPRG-UHFFFAOYSA-N -1 0 329.356 1.578 50 0 EDAARM CC[C@H](C)[C@H](NC(=O)[C@H]1CN(Cc2ccccc2)CCO1)C(=O)[O-] ZINC000236974109 443154694 /nfs/dbraw/zinc/15/46/94/443154694.db2.gz WLAVMNROUKDADJ-IMJJTQAJSA-N -1 0 334.416 1.503 50 0 EDAARM COc1ccc(Br)cc1CC(=O)NC1(C(=O)[O-])CC1 ZINC000237115076 443158933 /nfs/dbraw/zinc/15/89/33/443158933.db2.gz WIUAYJJOFPLSDK-UHFFFAOYSA-N -1 0 328.162 1.734 50 0 EDAARM CC(C)[C@@H](NS(=O)(=O)c1cc(F)ccc1OC(F)F)C(=O)[O-] ZINC000263204945 443227131 /nfs/dbraw/zinc/22/71/31/443227131.db2.gz XZUKPVSWXKSPBX-SNVBAGLBSA-N -1 0 341.307 1.815 50 0 EDAARM CC(C)(C)c1noc(CCCC(=O)N2CCO[C@H](CC(=O)[O-])C2)n1 ZINC000262751352 443210293 /nfs/dbraw/zinc/21/02/93/443210293.db2.gz KKAYZUFVCZASCA-LLVKDONJSA-N -1 0 339.392 1.392 50 0 EDAARM COc1ccc(C)cc1C1(CNC(=O)[C@H]2C[C@@H]2C(=O)[O-])CCOCC1 ZINC000299751132 444134353 /nfs/dbraw/zinc/13/43/53/444134353.db2.gz PQJJBVUFIVEDQC-KBPBESRZSA-N -1 0 347.411 1.889 50 0 EDAARM O=C([O-])[C@@H](CNS(=O)(=O)c1cccc(Cl)c1)C1CCOCC1 ZINC000574444863 321483960 /nfs/dbraw/zinc/48/39/60/321483960.db2.gz FTNDMLIAHXXLCP-ZDUSSCGKSA-N -1 0 347.820 1.746 50 0 EDAARM Cc1c(Br)cc(NS(=O)(=O)N2CCC2)cc1C(=O)[O-] ZINC000350893355 445940231 /nfs/dbraw/zinc/94/02/31/445940231.db2.gz GLXPVEWJICGFCW-UHFFFAOYSA-N -1 0 349.206 1.818 50 0 EDAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)c2n[nH]c3c2CCC3)C1 ZINC000426641421 447484363 /nfs/dbraw/zinc/48/43/63/447484363.db2.gz BRUHWVFCKXUZFH-LLVKDONJSA-N -1 0 343.387 1.199 50 0 EDAARM CCc1cccc2c(C(C)=O)cn(CC(=O)NCc3n[nH]c(=O)[n-]3)c21 ZINC000426658563 447487586 /nfs/dbraw/zinc/48/75/86/447487586.db2.gz UVKIBSPYBSETTI-UHFFFAOYSA-N -1 0 341.371 1.546 50 0 EDAARM COc1ccc2c(c1)CCN(Cc1cnc(NCC(=O)[O-])nc1)C2 ZINC000534636967 448459137 /nfs/dbraw/zinc/45/91/37/448459137.db2.gz WIUVRFRVEMHCSS-UHFFFAOYSA-N -1 0 328.372 1.540 50 0 EDAARM O=C(NCCCSCc1ccc(F)cc1)NCc1n[nH]c(=O)[n-]1 ZINC000584886998 448663925 /nfs/dbraw/zinc/66/39/25/448663925.db2.gz CCXMXZJKYUKIKC-UHFFFAOYSA-N -1 0 339.396 1.772 50 0 EDAARM C[C@@H](CO)N(C)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000585141251 448709765 /nfs/dbraw/zinc/70/97/65/448709765.db2.gz RVBUMXXFWLMQLI-LURJTMIESA-N -1 0 325.745 1.179 50 0 EDAARM COC(=O)c1cn(Nc2ccc(C(=O)[O-])cc2)cc2c(=O)[nH]nc1-2 ZINC000604419391 449229351 /nfs/dbraw/zinc/22/93/51/449229351.db2.gz IMPZYRXXHVCOIV-UHFFFAOYSA-N -1 0 328.284 1.449 50 0 EDAARM O=C([O-])COc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCCO2)cc1 ZINC000621539533 450763402 /nfs/dbraw/zinc/76/34/02/450763402.db2.gz QHAACYDGVDKCRP-GJZGRUSLSA-N -1 0 335.356 1.170 50 0 EDAARM O=C([O-])[C@]1(C(=O)NCc2nc(-c3ccncc3)no2)CC=CCC1 ZINC000653293742 451823366 /nfs/dbraw/zinc/82/33/66/451823366.db2.gz JWRDVPGEQCRETR-MRXNPFEDSA-N -1 0 328.328 1.559 50 0 EDAARM CC(C)(C(=O)[O-])n1ccc(NC(=O)Cc2ccc3c(c2)CCO3)n1 ZINC000659201030 453667753 /nfs/dbraw/zinc/66/77/53/453667753.db2.gz IANRDTISSKAUBV-UHFFFAOYSA-N -1 0 329.356 1.819 50 0 EDAARM CC(C)[C@H](CC(=O)[O-])NC(=O)COCc1nc2cc(F)ccc2[nH]1 ZINC000223830578 485808023 /nfs/dbraw/zinc/80/80/23/485808023.db2.gz QUXITRKBFQBGGD-LBPRGKRZSA-N -1 0 337.351 1.834 50 0 EDAARM C[C@H](C(=O)NCc1n[nH]c(=O)[n-]1)N1c2cccc3cccc(c23)C1=O ZINC000670448878 486530547 /nfs/dbraw/zinc/53/05/47/486530547.db2.gz CDXCNOIJRZAQJR-SECBINFHSA-N -1 0 337.339 1.329 50 0 EDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)Cc2ccc3c(c2)CCO3)cn1 ZINC000262829461 534389479 /nfs/dbraw/zinc/38/94/79/534389479.db2.gz RDSSCSLFWUCCBB-UHFFFAOYSA-N -1 0 329.356 1.819 50 0 EDAARM CCCc1noc(CCCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)n1 ZINC000262767108 521576982 /nfs/dbraw/zinc/57/69/82/521576982.db2.gz MAMHSQRKAWMXHM-NSHDSACASA-N -1 0 325.365 1.047 50 0 EDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2c(F)ccc(F)c2OC)C1 ZINC000263120198 536668350 /nfs/dbraw/zinc/66/83/50/536668350.db2.gz VGRDFOMDZLLRHN-HNNXBMFYSA-N -1 0 329.299 1.537 50 0 EDAARM COc1ccc2[nH]c(C(=O)N[C@H](C(=O)[O-])[C@H]3CCCOC3)cc2c1 ZINC000263520891 536960116 /nfs/dbraw/zinc/96/01/16/536960116.db2.gz HCYORYADLIGPBM-BONVTDFDSA-N -1 0 332.356 1.786 50 0 EDAARM CCS(=O)(=O)[N-]c1ccccc1C(=O)N(CCOC)CCOC ZINC000058420394 214581906 /nfs/dbraw/zinc/58/19/06/214581906.db2.gz VEZYSLWIQYBYJS-UHFFFAOYSA-N -1 0 344.433 1.183 50 0 EDAARM O=C(Cn1nc(-c2ccccc2)ccc1=O)[N-]O[C@H]1CCCCO1 ZINC000058419475 214582227 /nfs/dbraw/zinc/58/22/27/214582227.db2.gz PUQRVAQNHLSVSD-KRWDZBQOSA-N -1 0 329.356 1.485 50 0 EDAARM O=C([O-])[C@H]1[C@@H]2CC[C@@H](O2)[C@H]1C(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000004179954 210139973 /nfs/dbraw/zinc/13/99/73/210139973.db2.gz SLVLJBWSJIGQQU-QXSJWSMHSA-N -1 0 341.367 1.748 50 0 EDAARM NC(=O)Cc1csc([N-]S(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000066250544 215026183 /nfs/dbraw/zinc/02/61/83/215026183.db2.gz KPRLYJNJGVLMSW-UHFFFAOYSA-N -1 0 349.796 1.764 50 0 EDAARM CC(C)n1nccc1[N-]S(=O)(=O)c1ccc2c(c1)n(C)c(=O)n2C ZINC000066248540 215026435 /nfs/dbraw/zinc/02/64/35/215026435.db2.gz LMFZLGQZYQIMOR-UHFFFAOYSA-N -1 0 349.416 1.455 50 0 EDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)Cc2ccc(Cl)cc2)[C@@H](n2ccnn2)C1 ZINC000685940744 539578247 /nfs/dbraw/zinc/57/82/47/539578247.db2.gz SINVQVGJXXFRHZ-YUTCNCBUSA-N -1 0 348.790 1.695 50 0 EDAARM CC1CCC(=CC(=O)N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2n2ccnn2)CC1 ZINC000685940895 539578681 /nfs/dbraw/zinc/57/86/81/539578681.db2.gz ZECDLDWFVSIKAY-WKOCEIDGSA-N -1 0 332.404 1.935 50 0 EDAARM Cc1noc(C)c1CN1C(=O)CC[C@@H](C(=O)[O-])[C@H]1c1cnn(C)c1 ZINC000069492168 215444627 /nfs/dbraw/zinc/44/46/27/215444627.db2.gz XVVJGRMQRXXNAL-IUODEOHRSA-N -1 0 332.360 1.589 50 0 EDAARM Cc1nn(C)c2ncc(S(=O)(=O)[N-]c3cccc4[nH]cnc43)cc12 ZINC000072301879 216139153 /nfs/dbraw/zinc/13/91/53/216139153.db2.gz IKKOAVIXUXEIIQ-UHFFFAOYSA-N -1 0 342.384 1.954 50 0 EDAARM Cc1cccc(S(=O)(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)c1 ZINC000072432790 216227388 /nfs/dbraw/zinc/22/73/88/216227388.db2.gz LVQBWBAJQKCUOT-UHFFFAOYSA-N -1 0 349.412 1.456 50 0 EDAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)[C@H]3CCOC3)CC2)n1 ZINC000072468409 216247848 /nfs/dbraw/zinc/24/78/48/216247848.db2.gz RSLKIPODORRCMO-ZDUSSCGKSA-N -1 0 349.431 1.619 50 0 EDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)NCc3ccco3)CC2)c1 ZINC000072469515 216249284 /nfs/dbraw/zinc/24/92/84/216249284.db2.gz HVOVAQOKHHHUEC-UHFFFAOYSA-N -1 0 332.360 1.570 50 0 EDAARM Cc1cc2nc(-c3ccccc3)cc(NCCc3n[nH]c(=O)[n-]3)n2n1 ZINC000072481227 216261924 /nfs/dbraw/zinc/26/19/24/216261924.db2.gz RZTWGKUMDKFPGI-UHFFFAOYSA-N -1 0 335.371 1.771 50 0 EDAARM CCN(CC)C(=O)CN(C)C(=O)c1nn(-c2ccccc2)cc1[O-] ZINC000073418583 216385266 /nfs/dbraw/zinc/38/52/66/216385266.db2.gz JRRNVRJXEHQOMJ-UHFFFAOYSA-N -1 0 330.388 1.518 50 0 EDAARM O=C(NC1(c2cccc(C(F)(F)F)c2)CCC1)c1n[nH]c(=O)[n-]1 ZINC000075161221 216590372 /nfs/dbraw/zinc/59/03/72/216590372.db2.gz VLBGEISZROCJJY-UHFFFAOYSA-N -1 0 326.278 1.926 50 0 EDAARM O=C(NCc1ccc2nonc2c1)c1cc(=O)n(-c2ccccc2)[n-]1 ZINC000216337332 241182062 /nfs/dbraw/zinc/18/20/62/241182062.db2.gz CQFZYXATFNBISV-UHFFFAOYSA-N -1 0 335.323 1.632 50 0 EDAARM O=C([O-])c1csc(CCNC(=O)c2c[nH]c(=O)c(Cl)c2)n1 ZINC000217465058 241251201 /nfs/dbraw/zinc/25/12/01/241251201.db2.gz GYMXRYMIQSMAIJ-UHFFFAOYSA-N -1 0 327.749 1.156 50 0 EDAARM O=C([O-])c1csc(CCNC(=O)CCc2ccc3c(c2)OCO3)n1 ZINC000219313571 241380370 /nfs/dbraw/zinc/38/03/70/241380370.db2.gz PQJASSWVNXOAQU-UHFFFAOYSA-N -1 0 348.380 1.862 50 0 EDAARM C[C@@H]1OCC[C@@]1(O)C[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000225754658 242020526 /nfs/dbraw/zinc/02/05/26/242020526.db2.gz ADZUFGFRACLHID-PWCHPLFNSA-N -1 0 343.298 1.061 50 0 EDAARM COc1cccc(CN(C)S(=O)(=O)N2CCC[C@@H](C(=O)[O-])C2)c1 ZINC000229173842 242151837 /nfs/dbraw/zinc/15/18/37/242151837.db2.gz RBVIUBLISFXYFI-CYBMUJFWSA-N -1 0 342.417 1.168 50 0 EDAARM C[C@H](C(=O)[O-])[C@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 ZINC000230165001 242242309 /nfs/dbraw/zinc/24/23/09/242242309.db2.gz WUQYUCGIAHJKKC-NUTKFTJISA-N -1 0 344.411 1.823 50 0 EDAARM O=C([O-])[C@@H]1CCCCN1C(=O)CCCc1nc2ccccc2c(=O)[nH]1 ZINC000238029923 242903332 /nfs/dbraw/zinc/90/33/32/242903332.db2.gz QAPACRMPZTYWSY-AWEZNQCLSA-N -1 0 343.383 1.712 50 0 EDAARM O=C([O-])c1cccc(NC(=O)CN2CCC(c3cc[nH]n3)CC2)c1 ZINC000244678486 243055598 /nfs/dbraw/zinc/05/55/98/243055598.db2.gz IEHMDUOHRZMNGM-UHFFFAOYSA-N -1 0 328.372 1.926 50 0 EDAARM O=C(CCc1cc(=O)[n-]o1)N[C@@H](Cc1ccccn1)[C@H]1C[C@@H](O)C1 ZINC000244748801 243077316 /nfs/dbraw/zinc/07/73/16/243077316.db2.gz OOPKGBCXVWFQQJ-LNSITVRQSA-N -1 0 331.372 1.206 50 0 EDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCN(Cc2ccc(F)cc2)CC1 ZINC000020615048 212156260 /nfs/dbraw/zinc/15/62/60/212156260.db2.gz SBMUDPSVRKBWIY-UHFFFAOYSA-N -1 0 346.362 1.215 50 0 EDAARM Cc1ccc(N2CCN(C(=O)c3nn(C)cc3C(=O)[O-])C[C@H]2C)cc1 ZINC000020615142 212156106 /nfs/dbraw/zinc/15/61/06/212156106.db2.gz ORMNPOIJDAWREE-CYBMUJFWSA-N -1 0 342.399 1.778 50 0 EDAARM COc1ccc(-c2nnc(NC(=O)c3c(C(=O)[O-])cnn3C)o2)cc1 ZINC000020615006 212155980 /nfs/dbraw/zinc/15/59/80/212155980.db2.gz OIMFDHAUUNFYBW-UHFFFAOYSA-N -1 0 343.299 1.429 50 0 EDAARM CCOc1cccc(CNC(=O)c2c([O-])c3cccnc3[nH]c2=O)c1 ZINC000049411694 214007059 /nfs/dbraw/zinc/00/70/59/214007059.db2.gz FWNCYRCLNVAFDF-UHFFFAOYSA-N -1 0 339.351 1.957 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CCO1 ZINC000238128507 139069333 /nfs/dbraw/zinc/06/93/33/139069333.db2.gz BWHFPMJGRHEDHQ-CYBMUJFWSA-N -1 0 335.747 1.656 50 0 EDAARM COc1ccccc1OC1(C(=O)[O-])CCN(Cc2ncc[nH]2)CC1 ZINC000082097499 217465080 /nfs/dbraw/zinc/46/50/80/217465080.db2.gz MRGAHBFZVCGMGL-UHFFFAOYSA-N -1 0 331.372 1.917 50 0 EDAARM COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)Cc1n[nH]c(=O)[n-]1 ZINC000091617674 218032255 /nfs/dbraw/zinc/03/22/55/218032255.db2.gz SZKRFNZLGYLPTR-LLVKDONJSA-N -1 0 345.186 1.751 50 0 EDAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CN3CCCCC3=O)C2)c1 ZINC000091625070 218034325 /nfs/dbraw/zinc/03/43/25/218034325.db2.gz GZXRKVYHGGIHMY-HNNXBMFYSA-N -1 0 344.411 1.788 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)CCc2ccccn2)C[C@H]1c1cccnc1 ZINC000091738550 218056246 /nfs/dbraw/zinc/05/62/46/218056246.db2.gz ZAFSKEPZCOEIRV-JKSUJKDBSA-N -1 0 325.368 1.736 50 0 EDAARM Cc1cc(N)n(CC(=O)N2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)n1 ZINC000091997177 218100870 /nfs/dbraw/zinc/10/08/70/218100870.db2.gz JGYFXDHIGXKIAT-UONOGXRCSA-N -1 0 328.372 1.101 50 0 EDAARM COC(=O)c1cn(-c2cccc(C(=O)[O-])c2)cc(C(=O)OC)c1=O ZINC000009481941 211090281 /nfs/dbraw/zinc/09/02/81/211090281.db2.gz WGOXARGDSRKCSF-UHFFFAOYSA-N -1 0 331.280 1.109 50 0 EDAARM CN1C(=O)C[C@H](C(=O)[O-])C12CC[NH+](Cc1ccccc1C(=O)[O-])CC2 ZINC000095371428 218304567 /nfs/dbraw/zinc/30/45/67/218304567.db2.gz KKVIBLRYDMVBKJ-CQSZACIVSA-N -1 0 346.383 1.282 50 0 EDAARM COc1ccc2c(c1)OC[C@]1(C(=O)[O-])CN(C(=O)c3cc[nH]c3)C[C@H]21 ZINC000095382739 218315081 /nfs/dbraw/zinc/31/50/81/218315081.db2.gz XIQSQOULAMKUIY-RDTXWAMCSA-N -1 0 342.351 1.726 50 0 EDAARM CN(C)C(=O)N1CCC(C(=O)N2CCC(CC(=O)[O-])CC2)CC1 ZINC000261619547 139211681 /nfs/dbraw/zinc/21/16/81/139211681.db2.gz ANRSPQCNDLBGPN-UHFFFAOYSA-N -1 0 325.409 1.093 50 0 EDAARM CCCC(=O)N1CCC(C(=O)N[C@@H](Cc2ccccc2)C(=O)[O-])CC1 ZINC000095399174 218333076 /nfs/dbraw/zinc/33/30/76/218333076.db2.gz HMFDOINTRPXOMK-INIZCTEOSA-N -1 0 346.427 1.837 50 0 EDAARM CS(=O)(=O)[C@H](Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095424980 218366813 /nfs/dbraw/zinc/36/68/13/218366813.db2.gz HVUCKLADAFFYHA-OAHLLOKOSA-N -1 0 347.392 1.979 50 0 EDAARM O=C([O-])c1ccc(C(=O)NCCc2nnc3n2CCCCC3)cc1 ZINC000095424276 218366983 /nfs/dbraw/zinc/36/69/83/218366983.db2.gz RSXMMGFFWMDNJP-UHFFFAOYSA-N -1 0 328.372 1.675 50 0 EDAARM C[C@@](Cc1ccccc1)(NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)C(=O)[O-] ZINC000095424787 218367220 /nfs/dbraw/zinc/36/72/20/218367220.db2.gz ACKLVMFRNQVLFR-KXBFYZLASA-N -1 0 344.411 1.447 50 0 EDAARM Cc1nn(C)c2ncc(C(=O)[O-])c(N3CCC[C@@]4(CCOC4)C3)c12 ZINC000095516545 218424009 /nfs/dbraw/zinc/42/40/09/218424009.db2.gz UUIFJINJGWFZFC-QGZVFWFLSA-N -1 0 330.388 1.982 50 0 EDAARM O=C([O-])c1ccccc1CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000262196639 139259094 /nfs/dbraw/zinc/25/90/94/139259094.db2.gz OAXWKTSOMVCILQ-UHFFFAOYSA-N -1 0 340.383 1.456 50 0 EDAARM CCO[C@H]1C[C@](NC(=O)c2cn3ccccc3n2)(C(=O)[O-])C1(C)C ZINC000262849246 139307825 /nfs/dbraw/zinc/30/78/25/139307825.db2.gz WLWYCTCIJNVXGH-SJCJKPOMSA-N -1 0 331.372 1.723 50 0 EDAARM O=C([O-])C[C@@]1(NC(=O)COc2cccc(C(F)(F)F)c2)CCOC1 ZINC000263101509 139322387 /nfs/dbraw/zinc/32/23/87/139322387.db2.gz VYDLORJDWSHUEP-AWEZNQCLSA-N -1 0 347.289 1.834 50 0 EDAARM C[C@H]1CCCN(S(=O)(=O)c2cc(Cl)cnc2N)[C@H]1C(=O)[O-] ZINC000263097120 139322164 /nfs/dbraw/zinc/32/21/64/139322164.db2.gz VVRVUSMJZUAGJO-OIBJUYFYSA-N -1 0 333.797 1.191 50 0 EDAARM 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/nfs/dbraw/zinc/04/13/99/258041399.db2.gz ZFNXBPMSIWEBTL-GFCCVEGCSA-N -1 0 333.344 1.339 50 0 EDAARM COc1ccccc1CN(CCO)Cc1cc(=O)n2[n-]c(C)cc2n1 ZINC000334159609 258004413 /nfs/dbraw/zinc/00/44/13/258004413.db2.gz MXXRBKQKGLTWIZ-UHFFFAOYSA-N -1 0 342.399 1.334 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1ccn(-c2cccc(Cl)c2)n1 ZINC000299752919 258006842 /nfs/dbraw/zinc/00/68/42/258006842.db2.gz VZGJYWHQLHCKJK-ZDUSSCGKSA-N -1 0 335.747 1.451 50 0 EDAARM C[C@H](Oc1ccccc1C#N)C(=O)N(CCC(=O)[O-])C[C@@H]1CCCO1 ZINC000299751720 258007046 /nfs/dbraw/zinc/00/70/46/258007046.db2.gz RJJOUFNAVPPGGI-ZFWWWQNUSA-N -1 0 346.383 1.808 50 0 EDAARM Cc1cc(C)n2ncc(C(=O)N(CCC(=O)[O-])C3CCOCC3)c2n1 ZINC000299751474 258007350 /nfs/dbraw/zinc/00/73/50/258007350.db2.gz QPKHVKBISOJRLV-UHFFFAOYSA-N -1 0 346.387 1.442 50 0 EDAARM CCOc1cccc2c1OCC(C(=O)Nc1ccn(CC(=O)[O-])n1)=C2 ZINC000299748996 258008156 /nfs/dbraw/zinc/00/81/56/258008156.db2.gz IVFSAODXALIWLT-UHFFFAOYSA-N -1 0 343.339 1.781 50 0 EDAARM 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O=C([O-])c1cc(F)cc(S(=O)(=O)N(CCO)c2ccccc2)c1 ZINC000362308696 446314357 /nfs/dbraw/zinc/31/43/57/446314357.db2.gz KDIDOCYGTLFOMN-UHFFFAOYSA-N -1 0 339.344 1.712 50 0 EDAARM Cn1cc(C(=O)N2CC[C@H](C(=O)[O-])C2)c(-c2ccc(F)cc2F)n1 ZINC000408513525 447666609 /nfs/dbraw/zinc/66/66/09/447666609.db2.gz QMWFYFSMXLHIES-VIFPVBQESA-N -1 0 335.310 1.912 50 0 EDAARM CC(C)c1nc(S(=O)(=O)NCc2cccc(C(=O)[O-])c2)cn1C ZINC000571164406 448116115 /nfs/dbraw/zinc/11/61/15/448116115.db2.gz VHUVMNNLOAVQOQ-UHFFFAOYSA-N -1 0 337.401 1.720 50 0 EDAARM COc1cc(C(=O)N2CCC(c3nc(C(=O)[O-])n[nH]3)CC2)ccc1C ZINC000585134484 448706073 /nfs/dbraw/zinc/70/60/73/448706073.db2.gz VUDGGLZPBVAGDS-UHFFFAOYSA-N -1 0 344.371 1.840 50 0 EDAARM O=C1Nc2ccccc2C[C@@H]1N=c1nc(C2CCOCC2)[n-]s1 ZINC000624630949 450933144 /nfs/dbraw/zinc/93/31/44/450933144.db2.gz KFTMESXMCFPVPS-ZDUSSCGKSA-N -1 0 330.413 1.829 50 0 EDAARM O=C([O-])[C@H](C(=O)NCc1cccnc1-n1cccn1)C1CCCC1 ZINC000663038559 453656079 /nfs/dbraw/zinc/65/60/79/453656079.db2.gz BIMBIBDBKVVZPI-AWEZNQCLSA-N -1 0 328.372 1.775 50 0 EDAARM Cc1cccc(Cn2cnc([N-]S(=O)(=O)c3cnn(C)c3)n2)c1 ZINC000002804119 485503813 /nfs/dbraw/zinc/50/38/13/485503813.db2.gz BURBLXVRCOHJEL-UHFFFAOYSA-N -1 0 332.389 1.169 50 0 EDAARM C[C@@H]1Oc2ccccc2N(CC(=O)N2CCC[C@@H](C(=O)[O-])C2)C1=O ZINC000169917850 486147536 /nfs/dbraw/zinc/14/75/36/486147536.db2.gz DQLMKQZLWOGAMJ-NWDGAFQWSA-N -1 0 332.356 1.124 50 0 EDAARM CC(=O)N[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])c1c(F)cccc1F ZINC000236718667 534616803 /nfs/dbraw/zinc/61/68/03/534616803.db2.gz HAKIYGLHXXMCOS-OLZOCXBDSA-N -1 0 340.326 1.608 50 0 EDAARM Cc1cccc(N2C[C@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)c1C ZINC000269205407 524567460 /nfs/dbraw/zinc/56/74/60/524567460.db2.gz SYPDQJAPIZUPKW-ZIAGYGMSSA-N -1 0 330.384 1.589 50 0 EDAARM O=C([O-])COc1ccc(-c2ccccn2)cc1CN1CCNC(=O)C1 ZINC000097814975 527616306 /nfs/dbraw/zinc/61/63/06/527616306.db2.gz ZRTHDLQLGGTRLO-UHFFFAOYSA-N -1 0 341.367 1.144 50 0 EDAARM COc1ccc2[nH]c(C(=O)N[C@@H](C(=O)[O-])[C@H]3CCCOC3)cc2c1 ZINC000263520893 536959767 /nfs/dbraw/zinc/95/97/67/536959767.db2.gz HCYORYADLIGPBM-ZUZCIYMTSA-N -1 0 332.356 1.786 50 0 EDAARM O=C([O-])[C@@H]1C[C@@H](O)CN1C(=O)CSCc1ccccc1Cl ZINC000055072126 214269690 /nfs/dbraw/zinc/26/96/90/214269690.db2.gz YNXNESFZPFUQBC-PWSUYJOCSA-N -1 0 329.805 1.620 50 0 EDAARM CCc1cc(C(=O)[N-]S(=O)(=O)Cc2c(F)cccc2F)[nH]n1 ZINC000132918189 529518374 /nfs/dbraw/zinc/51/83/74/529518374.db2.gz XVUHMSWHOWTORP-UHFFFAOYSA-N -1 0 329.328 1.510 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)/C=C\c1ccc2c(c1)CCO2 ZINC000098054819 219074392 /nfs/dbraw/zinc/07/43/92/219074392.db2.gz SYLPEZPBLAXUEC-XQRVVYSFSA-N -1 0 348.380 1.745 50 0 EDAARM CSc1nc2n(n1)[C@@H](c1ccc3c(c1)OCCO3)CC(C(=O)[O-])=N2 ZINC000101447002 219127249 /nfs/dbraw/zinc/12/72/49/219127249.db2.gz JCCYIIRUXILYCK-SNVBAGLBSA-N -1 0 346.368 1.755 50 0 EDAARM CN(C)C(=O)Cc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1 ZINC000048383449 213936179 /nfs/dbraw/zinc/93/61/79/213936179.db2.gz CUSVJBCHXQUODK-GJZGRUSLSA-N -1 0 330.384 1.923 50 0 EDAARM CCCOc1c(OC)cccc1[C@H]1CC(C(=O)[O-])=Nc2nnnn21 ZINC000101675107 219155085 /nfs/dbraw/zinc/15/50/85/219155085.db2.gz RFDPLUHPVWFRES-LLVKDONJSA-N -1 0 331.332 1.454 50 0 EDAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@@H](C)C(=O)[O-])c(=O)oc12 ZINC000004062030 210110874 /nfs/dbraw/zinc/11/08/74/210110874.db2.gz WHXLFNDHQHGOGO-JTQLQIEISA-N -1 0 333.340 1.637 50 0 EDAARM Cc1c(C)c2ccc(OCC(=O)N[C@@H](C)C(=O)[O-])c(C)c2oc1=O ZINC000004046687 210107660 /nfs/dbraw/zinc/10/76/60/210107660.db2.gz BALNRFNYTPEZQJ-NSHDSACASA-N -1 0 333.340 1.686 50 0 EDAARM O=C([O-])[C@H]1C[C@@H](Nc2ncc(Cl)cc2F)[C@@H](n2ccnn2)C1 ZINC000685943421 539583400 /nfs/dbraw/zinc/58/34/00/539583400.db2.gz WIABRHCOEPZWCH-XROYCOCOSA-N -1 0 325.731 1.982 50 0 EDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cccc(Cl)c2C)C1 ZINC000685940620 539578609 /nfs/dbraw/zinc/57/86/09/539578609.db2.gz DOFYKIAHOJAMRV-GWCFXTLKSA-N -1 0 338.791 1.700 50 0 EDAARM C[C@@]1(C(=O)N2CCc3c(c(C(=O)[O-])nn3CC3CC3)C2)CCCCO1 ZINC000067872356 215237609 /nfs/dbraw/zinc/23/76/09/215237609.db2.gz FKRNIEMDYBVLAT-SFHVURJKSA-N -1 0 347.415 1.835 50 0 EDAARM CN(Cc1nc(=O)c2sccc2[n-]1)c1cc(NC2CC2)nc(N)n1 ZINC000067935073 215252619 /nfs/dbraw/zinc/25/26/19/215252619.db2.gz RSFOSVSJGVREOI-UHFFFAOYSA-N -1 0 343.416 1.568 50 0 EDAARM CC(C)NC(=O)CSc1sc2c([nH]c(=O)cc2[O-])c1C(N)=O ZINC000040266410 213285030 /nfs/dbraw/zinc/28/50/30/213285030.db2.gz MVSPDMOMFXWSBW-UHFFFAOYSA-N -1 0 341.414 1.011 50 0 EDAARM CCOC(=O)[C@H]1CCCN1S(=O)(=O)[N-]C(=O)c1ccc(C)s1 ZINC000069739293 215556296 /nfs/dbraw/zinc/55/62/96/215556296.db2.gz YOBIKMAPTDPJOD-SNVBAGLBSA-N -1 0 346.430 1.059 50 0 EDAARM COC(=O)Cn1cc([N-]S(=O)(=O)c2ccc(Cl)s2)cn1 ZINC000038030606 213194055 /nfs/dbraw/zinc/19/40/55/213194055.db2.gz JIRPGCGYSAIRBX-UHFFFAOYSA-N -1 0 335.794 1.572 50 0 EDAARM CSCC[C@H](NC(=O)c1nc(SC)ncc1Cl)C(=O)[O-] ZINC000037431322 213147354 /nfs/dbraw/zinc/14/73/54/213147354.db2.gz IYWCZTNTOZDUHB-ZETCQYMHSA-N -1 0 335.838 1.788 50 0 EDAARM Cc1cc(C(N)=O)cc(C)c1C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-] ZINC000036475044 213099613 /nfs/dbraw/zinc/09/96/13/213099613.db2.gz ZLUHLTMMROGKKD-ZDUSSCGKSA-N -1 0 336.388 1.923 50 0 EDAARM Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)[N-]c2cnn(C)c2)c1 ZINC000072270333 216092623 /nfs/dbraw/zinc/09/26/23/216092623.db2.gz KPBBRROPZDHNOZ-UHFFFAOYSA-N -1 0 343.430 1.241 50 0 EDAARM C[C@@H](NC(=O)c1nccnc1C(=O)[O-])c1nc(-c2ccccc2)no1 ZINC000072401372 216194340 /nfs/dbraw/zinc/19/43/40/216194340.db2.gz ODHRVTXWILQLGE-SECBINFHSA-N -1 0 339.311 1.716 50 0 EDAARM Cc1ccc(CNC(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)cc1 ZINC000072463889 216246950 /nfs/dbraw/zinc/24/69/50/216246950.db2.gz TZUDQSNBTWMWPY-UHFFFAOYSA-N -1 0 342.399 1.977 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnn(CC2CC2)c1)[C@@H]1CCCC(F)(F)C1 ZINC000225725497 242004973 /nfs/dbraw/zinc/00/49/73/242004973.db2.gz JUAOTZGHPLOJED-LLVKDONJSA-N -1 0 347.387 1.924 50 0 EDAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cnn(C)c2)cc1C ZINC000226744728 242110880 /nfs/dbraw/zinc/11/08/80/242110880.db2.gz NITGCIFAFCPNDB-UHFFFAOYSA-N -1 0 339.373 1.081 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)[C@@H]1COc2ccc(Cl)cc2C1 ZINC000268988233 304134983 /nfs/dbraw/zinc/13/49/83/304134983.db2.gz RDPFLPBJJNDYKR-JQWIXIFHSA-N -1 0 325.748 1.203 50 0 EDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cn2cccc(C(F)(F)F)c2=O)C1 ZINC000237778509 242794039 /nfs/dbraw/zinc/79/40/39/242794039.db2.gz LYIOWARCFNTIFD-ZDUSSCGKSA-N -1 0 332.278 1.190 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCO1 ZINC000238053655 242914960 /nfs/dbraw/zinc/91/49/60/242914960.db2.gz RNHHJZHWBKLNQV-ZDUSSCGKSA-N -1 0 336.775 1.997 50 0 EDAARM Cn1cc(C(=O)[O-])c(C(=O)N2CCN(c3ccccc3F)CC2)n1 ZINC000020614925 212156053 /nfs/dbraw/zinc/15/60/53/212156053.db2.gz CVDKVNHZTWIRFA-UHFFFAOYSA-N -1 0 332.335 1.220 50 0 EDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c[nH]c1=O ZINC000217544315 304152574 /nfs/dbraw/zinc/15/25/74/304152574.db2.gz VEXDZWIBGZHLHH-ZDUSSCGKSA-N -1 0 332.743 1.680 50 0 EDAARM NC(=O)NC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-] ZINC000017071089 211952211 /nfs/dbraw/zinc/95/22/11/211952211.db2.gz MXTZXQGTYQXGBU-JGVFFNPUSA-N -1 0 339.373 1.386 50 0 EDAARM NC(=O)NC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-] ZINC000017071086 211951237 /nfs/dbraw/zinc/95/12/37/211951237.db2.gz MXTZXQGTYQXGBU-SFYZADRCSA-N -1 0 339.373 1.386 50 0 EDAARM O=C([O-])c1ccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)cc1 ZINC000238089755 139068792 /nfs/dbraw/zinc/06/87/92/139068792.db2.gz KNSIQXPNDOIVEP-HNNXBMFYSA-N -1 0 344.411 1.835 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)c2ncoc2-c2ccccc2Cl)CCO1 ZINC000238128265 139069363 /nfs/dbraw/zinc/06/93/63/139069363.db2.gz XLYLRLCGRIFHLC-LLVKDONJSA-N -1 0 336.731 1.921 50 0 EDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1cccnc1C(F)(F)F ZINC000262313593 304180847 /nfs/dbraw/zinc/18/08/47/304180847.db2.gz OPKYPLWPYYDUDA-MRVPVSSYSA-N -1 0 338.307 1.728 50 0 EDAARM CCNC(=O)c1cccc(NS(=O)(=O)c2cccc(C(=O)[O-])c2)c1 ZINC000013068785 211517655 /nfs/dbraw/zinc/51/76/55/211517655.db2.gz AGMYHSAZOFFLEG-UHFFFAOYSA-N -1 0 348.380 1.935 50 0 EDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1cc(Cl)c[nH]c1=O ZINC000217544389 304206795 /nfs/dbraw/zinc/20/67/95/304206795.db2.gz VEXDZWIBGZHLHH-CYBMUJFWSA-N -1 0 332.743 1.680 50 0 EDAARM C[C@](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)(C(=O)[O-])c1ccccc1 ZINC000089905424 217879723 /nfs/dbraw/zinc/87/97/23/217879723.db2.gz VVELQPHPXNERJX-SCLBCKFNSA-N -1 0 330.384 1.361 50 0 EDAARM CCCOC[C@@H]1CCN(C(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)C1 ZINC000091644462 218038158 /nfs/dbraw/zinc/03/81/58/218038158.db2.gz JTTHHNQLKYUZHA-CYBMUJFWSA-N -1 0 345.399 1.632 50 0 EDAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1c(C)nn(C)c1C ZINC000009157151 211047001 /nfs/dbraw/zinc/04/70/01/211047001.db2.gz BNQVNLZYYFWFFZ-UHFFFAOYSA-N -1 0 329.403 1.686 50 0 EDAARM COc1ccc(C(=O)N2CCc3[nH]cnc3[C@H]2C(=O)[O-])cc1OC ZINC000095383717 218315693 /nfs/dbraw/zinc/31/56/93/218315693.db2.gz UBHGBQZQMMSJPC-AWEZNQCLSA-N -1 0 331.328 1.251 50 0 EDAARM C[C@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000261628006 139212560 /nfs/dbraw/zinc/21/25/60/139212560.db2.gz GZQUDNJPNSGSOR-XHDPSFHLSA-N -1 0 342.351 1.609 50 0 EDAARM C[C@@H](NC(=O)c1ccco1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000261628002 139212662 /nfs/dbraw/zinc/21/26/62/139212662.db2.gz GZQUDNJPNSGSOR-IAQYHMDHSA-N -1 0 342.351 1.609 50 0 EDAARM CS(=O)(=O)[C@@H](Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000095424979 218367223 /nfs/dbraw/zinc/36/72/23/218367223.db2.gz HVUCKLADAFFYHA-HNNXBMFYSA-N -1 0 347.392 1.979 50 0 EDAARM CCS(=O)(=O)Nc1ccc(NC(=O)C2(C(=O)[O-])CC2)cc1C ZINC000262288341 139266818 /nfs/dbraw/zinc/26/68/18/139266818.db2.gz GEJOCXLUSRNVRP-UHFFFAOYSA-N -1 0 326.374 1.560 50 0 EDAARM C[C@H](NC(=O)C1CCCC1)C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000262554935 139286210 /nfs/dbraw/zinc/28/62/10/139286210.db2.gz WBQRWDGALUZWRX-LRDDRELGSA-N -1 0 344.411 1.892 50 0 EDAARM C[C@H](NC(=O)C1CCCC1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262554934 139286232 /nfs/dbraw/zinc/28/62/32/139286232.db2.gz WBQRWDGALUZWRX-BLLLJJGKSA-N -1 0 344.411 1.892 50 0 EDAARM CCO[C@@H]1C[C@](NC(=O)c2cnn3ccc(C)nc23)(C(=O)[O-])C1(C)C ZINC000262824668 139306163 /nfs/dbraw/zinc/30/61/63/139306163.db2.gz QFLKZVXACFZKKW-PXAZEXFGSA-N -1 0 346.387 1.426 50 0 EDAARM CC(C)Cc1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)cc(=O)[nH]1 ZINC000262871145 139309372 /nfs/dbraw/zinc/30/93/72/139309372.db2.gz WPSLTZSINYZLSB-NHYWBVRUSA-N -1 0 336.388 1.595 50 0 EDAARM O=C([O-])c1ccc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)cc1 ZINC000095374988 304250638 /nfs/dbraw/zinc/25/06/38/304250638.db2.gz PLJHHBKOUZZTKL-CYBMUJFWSA-N -1 0 335.385 1.676 50 0 EDAARM COc1cccc(Cl)c1CC(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000263272590 139332401 /nfs/dbraw/zinc/33/24/01/139332401.db2.gz MMHZIYLLEMACKH-UHFFFAOYSA-N -1 0 327.764 1.329 50 0 EDAARM O=C([O-])[C@H]1CN(Cc2ccco2)CCN(C(=O)Cc2cscn2)C1 ZINC000097604169 219039991 /nfs/dbraw/zinc/03/99/91/219039991.db2.gz NPIPNHYSILBSJQ-LBPRGKRZSA-N -1 0 349.412 1.324 50 0 EDAARM CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000263566162 139348287 /nfs/dbraw/zinc/34/82/87/139348287.db2.gz FYBRKHWXSAEAGN-TUKIKUTGSA-N -1 0 334.372 1.436 50 0 EDAARM CCOc1cn(-c2ccccc2)nc1C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000299753522 258006863 /nfs/dbraw/zinc/00/68/63/258006863.db2.gz YLBXVOLGULBWNM-ZDUSSCGKSA-N -1 0 345.355 1.197 50 0 EDAARM C[C@H](C(=O)[O-])N(C)C(=O)c1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000299749333 258008211 /nfs/dbraw/zinc/00/82/11/258008211.db2.gz JYZPWPLKUDOMJB-MGPQQGTHSA-N -1 0 334.416 1.841 50 0 EDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000299746358 258008574 /nfs/dbraw/zinc/00/85/74/258008574.db2.gz WUYSGUNIMKXGQC-AWEZNQCLSA-N -1 0 345.804 1.437 50 0 EDAARM COc1cccc(F)c1C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299755526 258074205 /nfs/dbraw/zinc/07/42/05/258074205.db2.gz BAXBCXUUSFBQTF-VHSXEESVSA-N -1 0 348.334 1.283 50 0 EDAARM COc1ccc(C2(C(=O)NCCc3nnn[n-]3)CCCC2)cc1OC ZINC000299768702 258082728 /nfs/dbraw/zinc/08/27/28/258082728.db2.gz LXZORSHHSQKUHF-UHFFFAOYSA-N -1 0 345.403 1.388 50 0 EDAARM C[C@]1(NC(=O)[C@H]2CC23CCS(=O)(=O)CC3)CCCC[C@H]1C(=O)[O-] ZINC000263261531 300828995 /nfs/dbraw/zinc/82/89/95/300828995.db2.gz JUYGTKBBCVANLA-ZOWXZIJZSA-N -1 0 343.445 1.351 50 0 EDAARM Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Cn1cc(C(=O)[O-])nn1 ZINC000263329991 301455119 /nfs/dbraw/zinc/45/51/19/301455119.db2.gz LUSXXQOVBLPXGZ-LLVKDONJSA-N -1 0 332.360 1.708 50 0 EDAARM COc1ccc(OC[C@@H](O)CNC(=O)c2ccccc2C(=O)[O-])cc1 ZINC000000151356 440801847 /nfs/dbraw/zinc/80/18/47/440801847.db2.gz UYXHTKMFMYHLCT-LBPRGKRZSA-N -1 0 345.351 1.563 50 0 EDAARM COc1cc(C)nc(N(CC(=O)[O-])S(=O)(=O)c2ccccc2)n1 ZINC000000270433 440811349 /nfs/dbraw/zinc/81/13/49/440811349.db2.gz OZDJPIOSYMYCHU-UHFFFAOYSA-N -1 0 337.357 1.074 50 0 EDAARM CCOCc1nnc([N-]S(=O)(=O)c2ccc(OC)cc2)s1 ZINC000002191244 440858376 /nfs/dbraw/zinc/85/83/76/440858376.db2.gz DRGOWFKMSUPDJS-UHFFFAOYSA-N -1 0 329.403 1.884 50 0 EDAARM 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O=C([O-])[C@@H]1CCN(C(=O)CCCN2C(=O)CCc3ccccc32)C1 ZINC000299741042 444128751 /nfs/dbraw/zinc/12/87/51/444128751.db2.gz DAWSLNJDKGYXOE-CQSZACIVSA-N -1 0 330.384 1.679 50 0 EDAARM Cc1oc(CNC(=O)c2cccc3c2O[C@@H](C)C(=O)N3)cc1C(=O)[O-] ZINC000362582085 445449843 /nfs/dbraw/zinc/44/98/43/445449843.db2.gz UVPJNFOWMYDTBF-VIFPVBQESA-N -1 0 344.323 1.936 50 0 EDAARM Cc1ncc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])s1 ZINC000389603440 325727701 /nfs/dbraw/zinc/72/77/01/325727701.db2.gz MNXVYNXLFTURCF-ZDUSSCGKSA-N -1 0 338.410 1.824 50 0 EDAARM Cc1nc(-c2ccc(C(=O)N3CCOCC3)cc2)c(Cl)c(=O)[n-]1 ZINC000584888929 448664992 /nfs/dbraw/zinc/66/49/92/448664992.db2.gz CWHUYTHVUKBGBA-UHFFFAOYSA-N -1 0 333.775 1.871 50 0 EDAARM O=c1[n-]c([C@@H]2CCCCN2S(=O)(=O)c2cc(F)ccc2F)n[nH]1 ZINC000585114578 448694861 /nfs/dbraw/zinc/69/48/61/448694861.db2.gz KFHCYYVLZFPONL-JTQLQIEISA-N -1 0 344.343 1.704 50 0 EDAARM CCS[C@H]1CCCCN(C(=O)c2cccc(-n3[n-]nnc3=N)c2)C1 ZINC000585131738 448703227 /nfs/dbraw/zinc/70/32/27/448703227.db2.gz FFAWPRUUGXEAHP-AWEZNQCLSA-N -1 0 346.460 1.823 50 0 EDAARM COCCC1(C(=O)[N-]S(=O)(=O)CC=C(Cl)Cl)CCC1 ZINC000585136151 448706567 /nfs/dbraw/zinc/70/65/67/448706567.db2.gz SZSCPWGMYYZXKV-UHFFFAOYSA-N -1 0 330.233 1.958 50 0 EDAARM COC(=O)c1ccc(CS(=O)(=O)[N-]c2n[nH]c(C(F)F)n2)cc1 ZINC000585141626 448711084 /nfs/dbraw/zinc/71/10/84/448711084.db2.gz WFBONESUPPFXDP-UHFFFAOYSA-N -1 0 346.315 1.471 50 0 EDAARM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])ccc1N1CCOCC1 ZINC000647598335 452338065 /nfs/dbraw/zinc/33/80/65/452338065.db2.gz LNTRVTGTBWIYAJ-INIZCTEOSA-N -1 0 332.400 1.911 50 0 EDAARM COc1cc(C)c(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])cc1C ZINC000650232781 452617250 /nfs/dbraw/zinc/61/72/50/452617250.db2.gz MUPMCYMBTMEDBU-RYUDHWBXSA-N -1 0 327.402 1.938 50 0 EDAARM Cn1ccnc1[C@@H](NC(=O)c1ccc(C(=O)[O-])nc1)C1CCOCC1 ZINC000671626934 486684203 /nfs/dbraw/zinc/68/42/03/486684203.db2.gz WYUUBQOIOUNJLV-AWEZNQCLSA-N -1 0 344.371 1.411 50 0 EDAARM CC(C)(C(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1)S(C)(=O)=O ZINC000262139642 534376758 /nfs/dbraw/zinc/37/67/58/534376758.db2.gz KSXGQEPWDGSALD-UHFFFAOYSA-N -1 0 349.792 1.565 50 0 EDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)Cc2ccc3c(c2)OCO3)cn1 ZINC000262796045 534389595 /nfs/dbraw/zinc/38/95/95/534389595.db2.gz LTSWOKMXNIRIMZ-UHFFFAOYSA-N -1 0 331.328 1.613 50 0 EDAARM Cc1cc2c(cc1S(=O)(=O)[N-]c1ccccn1)n(C)c(=O)n2C ZINC000004708253 210254959 /nfs/dbraw/zinc/25/49/59/210254959.db2.gz HCDLBEJUAZSNNX-UHFFFAOYSA-N -1 0 332.385 1.381 50 0 EDAARM O=C(NCc1ccncc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613670 219102630 /nfs/dbraw/zinc/10/26/30/219102630.db2.gz PVHMQLUYLYBAAT-UHFFFAOYSA-N -1 0 335.363 1.978 50 0 EDAARM O=C([O-])CSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 ZINC000004107220 210122118 /nfs/dbraw/zinc/12/21/18/210122118.db2.gz NNTJZGAESPHGKM-UHFFFAOYSA-N -1 0 339.354 1.696 50 0 EDAARM COc1ccc(N2C[C@]34C=C[C@H](O3)[C@H](C(=O)[O-])[C@@H]4C2=O)c(OC)c1 ZINC000004073412 210113353 /nfs/dbraw/zinc/11/33/53/210113353.db2.gz BUSCMEVMRSMUDE-DPYKFYPSSA-N -1 0 331.324 1.075 50 0 EDAARM CC[C@@H](NC(=O)Cc1c(C)c2c(O)cc(C)cc2oc1=O)C(=O)[O-] ZINC000004081060 210114912 /nfs/dbraw/zinc/11/49/12/210114912.db2.gz ONHYJFDFHCXDJS-LLVKDONJSA-N -1 0 333.340 1.637 50 0 EDAARM CSCC[C@H](NC(=O)Nc1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000004045057 210107016 /nfs/dbraw/zinc/10/70/16/210107016.db2.gz DPWXMRJIQVUCRE-JTQLQIEISA-N -1 0 326.374 1.786 50 0 EDAARM Cc1ccc(S(=O)(=O)[N-]c2nc(CC(N)=O)cs2)cc1Cl ZINC000066250608 215027001 /nfs/dbraw/zinc/02/70/01/215027001.db2.gz CXFRXPWTJVGYQH-UHFFFAOYSA-N -1 0 345.833 1.934 50 0 EDAARM O=C(CCc1nnc(-c2cccs2)[n-]c1=O)NC[C@H]1CCCO1 ZINC000040426205 213302217 /nfs/dbraw/zinc/30/22/17/213302217.db2.gz ACENBDGYBXOYER-SNVBAGLBSA-N -1 0 334.401 1.534 50 0 EDAARM O=C(CCc1nccs1)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000069623075 215504861 /nfs/dbraw/zinc/50/48/61/215504861.db2.gz ZHTBDZMJQQSLJQ-UHFFFAOYSA-N -1 0 337.426 1.499 50 0 EDAARM Cc1noc(C)c1[C@@H](C)C(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000069656827 215519722 /nfs/dbraw/zinc/51/97/22/215519722.db2.gz MVJQYGXEQAHESE-SNVBAGLBSA-N -1 0 349.412 1.819 50 0 EDAARM Cc1cc(CN(C)S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)no1 ZINC000036199395 213077429 /nfs/dbraw/zinc/07/74/29/213077429.db2.gz KDXUOCBJHXEOCA-UHFFFAOYSA-N -1 0 330.387 1.872 50 0 EDAARM O=C([O-])c1sccc1S(=O)(=O)NC[C@@H](O)c1ccccc1 ZINC000035600733 213041153 /nfs/dbraw/zinc/04/11/53/213041153.db2.gz NAPNDZBRGBTPMO-SNVBAGLBSA-N -1 0 327.383 1.458 50 0 EDAARM COc1ccccc1CCNS(=O)(=O)c1ccc(C(=O)[O-])n1C ZINC000000119801 209433886 /nfs/dbraw/zinc/43/38/86/209433886.db2.gz NHIWTLXXLXDNTB-UHFFFAOYSA-N -1 0 338.385 1.253 50 0 EDAARM CCCc1cc(C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)n(C)n1 ZINC000072407978 216199240 /nfs/dbraw/zinc/19/92/40/216199240.db2.gz OSZIBEYNGQHNPL-UHFFFAOYSA-N -1 0 345.403 1.285 50 0 EDAARM CC(C)Oc1cc(N2CCC(C(=O)[O-])(n3ccnc3)CC2)nc(N)n1 ZINC000072417953 216206359 /nfs/dbraw/zinc/20/63/59/216206359.db2.gz RBSRVPOJVSCXBO-UHFFFAOYSA-N -1 0 346.391 1.123 50 0 EDAARM O=C([O-])[C@@]12CN(CC3CC3)C(=O)[C@@H]1CN(C(=O)CCC1CCCC1)C2 ZINC000072410688 216202728 /nfs/dbraw/zinc/20/27/28/216202728.db2.gz CEOKEXWSRJEQNW-KXBFYZLASA-N -1 0 348.443 1.738 50 0 EDAARM O=C([O-])[C@@H]1CC2(CN1C(=O)C1CC1)CCN(C(=O)c1ccc[nH]1)CC2 ZINC000072428764 216220688 /nfs/dbraw/zinc/22/06/88/216220688.db2.gz NNANJRSNJBYJFL-AWEZNQCLSA-N -1 0 345.399 1.333 50 0 EDAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CCOC3)CC2)n1 ZINC000072428571 216220778 /nfs/dbraw/zinc/22/07/78/216220778.db2.gz QJHLATSGBFDVSV-CYBMUJFWSA-N -1 0 335.404 1.445 50 0 EDAARM Cc1ccc(OC2(C(=O)[O-])CCN(C(=O)Cn3cncn3)CC2)cc1 ZINC000072440012 216233930 /nfs/dbraw/zinc/23/39/30/216233930.db2.gz XRXDUYFKXAINFW-UHFFFAOYSA-N -1 0 344.371 1.111 50 0 EDAARM O=C([O-])c1ccc(O[C@@H]2CCOC[C@H]2NC(=O)c2ccoc2)cc1 ZINC000218868746 241348317 /nfs/dbraw/zinc/34/83/17/241348317.db2.gz ZPYDJDIQXBJZDJ-HUUCEWRRSA-N -1 0 331.324 1.944 50 0 EDAARM Cc1cc(-c2noc(C[N-]S(=O)(=O)c3ccccc3F)n2)no1 ZINC000225813981 242049770 /nfs/dbraw/zinc/04/97/70/242049770.db2.gz HZUMXBGMQUWXKN-UHFFFAOYSA-N -1 0 338.320 1.651 50 0 EDAARM O=C([O-])CCN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000238162560 242942302 /nfs/dbraw/zinc/94/23/02/242942302.db2.gz RLQCBAUOWYLTOK-UHFFFAOYSA-N -1 0 330.306 1.938 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)Cn2ccc3ccc(Cl)cc32)CCO1 ZINC000238196365 242947480 /nfs/dbraw/zinc/94/74/80/242947480.db2.gz RNHHJZHWBKLNQV-CYBMUJFWSA-N -1 0 336.775 1.997 50 0 EDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCN(C(=O)C2CC2)CC1 ZINC000229280448 304140686 /nfs/dbraw/zinc/14/06/86/304140686.db2.gz DHZILUHHYVJKJV-JYJNAYRXSA-N -1 0 348.443 1.879 50 0 EDAARM CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)[O-])cc2)CC1 ZINC000020199467 212110987 /nfs/dbraw/zinc/11/09/87/212110987.db2.gz HTQWVWCZYFACLB-UHFFFAOYSA-N -1 0 326.374 1.130 50 0 EDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1ccc2ncsc2c1 ZINC000095527290 304150754 /nfs/dbraw/zinc/15/07/54/304150754.db2.gz YQZRHUDYVLHRMR-LBPRGKRZSA-N -1 0 328.353 1.671 50 0 EDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000013263216 304180863 /nfs/dbraw/zinc/18/08/63/304180863.db2.gz FZSONZPSNUAVQS-GFCCVEGCSA-N -1 0 341.385 1.476 50 0 EDAARM O=C([O-])[C@H]1CCCN1C(=O)c1cc(N2CCNC2=O)ccc1Cl ZINC000262085533 304186078 /nfs/dbraw/zinc/18/60/78/304186078.db2.gz GAVLOPZMSLCTGW-GFCCVEGCSA-N -1 0 337.763 1.559 50 0 EDAARM O=C([O-])c1csc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1 ZINC000013305448 211543289 /nfs/dbraw/zinc/54/32/89/211543289.db2.gz CQNURGIUZYASML-UHFFFAOYSA-N -1 0 341.366 1.654 50 0 EDAARM Cc1c(O)ccc2c(C)c(CCC(=O)N[C@H](C)C(=O)[O-])c(=O)oc12 ZINC000011865400 211260780 /nfs/dbraw/zinc/26/07/80/211260780.db2.gz WHXLFNDHQHGOGO-SNVBAGLBSA-N -1 0 333.340 1.637 50 0 EDAARM CSc1ccccc1C(=O)N1CCC2(CC1)NC(=O)C[C@H]2C(=O)[O-] ZINC000095368091 218299873 /nfs/dbraw/zinc/29/98/73/218299873.db2.gz NOKSURIKMSWMCF-LBPRGKRZSA-N -1 0 348.424 1.604 50 0 EDAARM O=C([O-])CNC(=O)c1cccc(NC(=O)c2n[nH]c3ccccc32)c1 ZINC000095389903 218321640 /nfs/dbraw/zinc/32/16/40/218321640.db2.gz LSSYRUGTXDJIMQ-UHFFFAOYSA-N -1 0 338.323 1.630 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)N2CCCCC2=O)C1 ZINC000261773244 139224797 /nfs/dbraw/zinc/22/47/97/139224797.db2.gz IYPWIFBYMVMDJK-GDBMZVCRSA-N -1 0 330.384 1.673 50 0 EDAARM CC(=O)Nc1cccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000095471811 218407511 /nfs/dbraw/zinc/40/75/11/218407511.db2.gz KHUZABRNFVCDLF-UHFFFAOYSA-N -1 0 329.312 1.144 50 0 EDAARM O=C([O-])[C@@H]1CC[C@H]1C(=O)NC1CCN(C(=O)c2ccccc2F)CC1 ZINC000262057655 139247333 /nfs/dbraw/zinc/24/73/33/139247333.db2.gz IWRSVVTYKISMQP-CHWSQXEVSA-N -1 0 348.374 1.657 50 0 EDAARM COC(=O)c1sccc1[N-]S(=O)(=O)c1c(C)nn(C)c1C ZINC000007709032 210835936 /nfs/dbraw/zinc/83/59/36/210835936.db2.gz PYFKUMZHZIEEKB-UHFFFAOYSA-N -1 0 329.403 1.686 50 0 EDAARM Cc1c(C(=O)[O-])cnn1-c1cccc(NC(=O)[C@H]2COCCO2)c1 ZINC000262330699 139270653 /nfs/dbraw/zinc/27/06/53/139270653.db2.gz VJBJLLZQDNEWID-CQSZACIVSA-N -1 0 331.328 1.233 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(Oc3cnccn3)c2)CCO1 ZINC000262759363 139301666 /nfs/dbraw/zinc/30/16/66/139301666.db2.gz KJHWNWAPMJTGNC-CQSZACIVSA-N -1 0 343.339 1.585 50 0 EDAARM Cc1ccc(C(=O)NCC(=O)N2C[C@@H]3CCC[C@H]3[C@@H]2C(=O)[O-])cc1C ZINC000262960391 139315490 /nfs/dbraw/zinc/31/54/90/139315490.db2.gz LYQXXRLCFMYSCG-ZMSDIMECSA-N -1 0 344.411 1.745 50 0 EDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)C1 ZINC000263192707 139327582 /nfs/dbraw/zinc/32/75/82/139327582.db2.gz IUEOCOQHDGSMSB-XHSDSOJGSA-N -1 0 344.411 1.967 50 0 EDAARM CS(=O)(=O)c1cc(NC(=O)C[C@H]2CCCCO2)cc(C(=O)[O-])c1 ZINC000263305168 139334682 /nfs/dbraw/zinc/33/46/82/139334682.db2.gz VQYRGAFUKFQAHP-GFCCVEGCSA-N -1 0 341.385 1.686 50 0 EDAARM O=C([O-])Cn1nc(C2CCOCC2)nc1CNC(=O)c1ccccc1 ZINC000097574963 219036642 /nfs/dbraw/zinc/03/66/42/219036642.db2.gz RZXJIXJGLWASCC-UHFFFAOYSA-N -1 0 344.371 1.187 50 0 EDAARM CO[C@@H]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263567533 139348478 /nfs/dbraw/zinc/34/84/78/139348478.db2.gz GQPVJYVPUKOOID-YESZJQIVSA-N -1 0 347.411 1.970 50 0 EDAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)CCc2ccccn2)C1 ZINC000426734261 257956567 /nfs/dbraw/zinc/95/65/67/257956567.db2.gz INUMQQCJFCJZOT-CQSZACIVSA-N -1 0 342.399 1.702 50 0 EDAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)c2ccc[nH]c2=O)C1 ZINC000426641527 257960130 /nfs/dbraw/zinc/96/01/30/257960130.db2.gz MEVARAAJLIOHMZ-LLVKDONJSA-N -1 0 330.344 1.088 50 0 EDAARM COc1ccc2nc(C)cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c2c1 ZINC000299750991 258007180 /nfs/dbraw/zinc/00/71/80/258007180.db2.gz PBXWAZHSVQDHDO-OAHLLOKOSA-N -1 0 330.340 1.477 50 0 EDAARM COc1ccc(C)cc1C1(CNC(=O)[C@@H]2C[C@H]2C(=O)[O-])CCOCC1 ZINC000299751135 258007222 /nfs/dbraw/zinc/00/72/22/258007222.db2.gz PQJJBVUFIVEDQC-ZIAGYGMSSA-N -1 0 347.411 1.889 50 0 EDAARM COc1ccc(CNC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1C(=O)[O-] ZINC000299751666 258007331 /nfs/dbraw/zinc/00/73/31/258007331.db2.gz RGAGAZIMQOTQIP-GFCCVEGCSA-N -1 0 334.372 1.267 50 0 EDAARM O=C([O-])Cn1ccc(NC(=O)C[C@H]2Sc3ccccc3NC2=O)n1 ZINC000299748336 258007895 /nfs/dbraw/zinc/00/78/95/258007895.db2.gz GZYXDOKKGYKNKU-LLVKDONJSA-N -1 0 346.368 1.409 50 0 EDAARM COCCN(CC(=O)[O-])C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000299748656 258007922 /nfs/dbraw/zinc/00/79/22/258007922.db2.gz HUQZLUQQUVAZHX-MRXNPFEDSA-N -1 0 348.399 1.082 50 0 EDAARM Cc1c(CC(=O)N2CC[C@H](C(=O)[O-])C2)nnn1-c1ccc(C)cc1 ZINC000299743340 258009125 /nfs/dbraw/zinc/00/91/25/258009125.db2.gz NHFBHGIIEZLBEM-ZDUSSCGKSA-N -1 0 328.372 1.360 50 0 EDAARM CCc1ccc(C(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn(C)nn3)C2)[nH]1 ZINC000299781715 258090127 /nfs/dbraw/zinc/09/01/27/258090127.db2.gz RNDJVWMARZYBCG-CMPLNLGQSA-N -1 0 331.376 1.036 50 0 EDAARM O=C([O-])C[C@]1(c2cccc(F)c2)CC(=O)N(Cc2cccnc2)C1=O ZINC000299794779 258099669 /nfs/dbraw/zinc/09/96/69/258099669.db2.gz KIYMOMVYABEIFG-SFHVURJKSA-N -1 0 342.326 1.892 50 0 EDAARM O=C([O-])c1ccc(C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)cn1 ZINC000352226584 162061607 /nfs/dbraw/zinc/06/16/07/162061607.db2.gz UYFJYRTYLQEZJM-GFCCVEGCSA-N -1 0 343.314 1.454 50 0 EDAARM C[C@H](CN(C)C(=O)Cc1coc(-c2ccc(F)cc2)n1)c1nnn[n-]1 ZINC000124035270 222367118 /nfs/dbraw/zinc/36/71/18/222367118.db2.gz JDDIWBJIODTKCT-SNVBAGLBSA-N -1 0 344.350 1.798 50 0 EDAARM O=C([O-])[C@H]1C[C@@H]1C(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 ZINC000262748398 273017877 /nfs/dbraw/zinc/01/78/77/273017877.db2.gz JBLRUNWPAGQANN-KBPBESRZSA-N -1 0 331.372 1.520 50 0 EDAARM CN1C(=O)CCc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@@H]3C(=O)[O-])ccc21 ZINC000263047036 289811853 /nfs/dbraw/zinc/81/18/53/289811853.db2.gz RVMOCONBSMKTIH-GRDNDAEWSA-N -1 0 342.395 1.921 50 0 EDAARM CN1CC[C@@H](NC(=O)c2cc(Br)cc(Cl)c2[O-])C1=O ZINC000073147128 290142998 /nfs/dbraw/zinc/14/29/98/290142998.db2.gz PXMGMHWNVLWHGQ-SECBINFHSA-N -1 0 347.596 1.769 50 0 EDAARM CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263567530 293688973 /nfs/dbraw/zinc/68/89/73/293688973.db2.gz GQPVJYVPUKOOID-BRWVUGGUSA-N -1 0 347.411 1.970 50 0 EDAARM Cc1cc2n(n1)CCN(CC(=O)Nc1nc(C)c(C(=O)[O-])s1)C2 ZINC000244691751 301461041 /nfs/dbraw/zinc/46/10/41/301461041.db2.gz JIQFHRRAHOXEPH-UHFFFAOYSA-N -1 0 335.389 1.109 50 0 EDAARM Cc1ccc(C(=O)[O-])c(N2CCC[C@H](c3nccn3CC(N)=O)C2)n1 ZINC000095509818 301532388 /nfs/dbraw/zinc/53/23/88/301532388.db2.gz IDVDOKGIJXGXNX-LBPRGKRZSA-N -1 0 343.387 1.154 50 0 EDAARM COc1ccc(CN2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)c(OC)c1 ZINC000002553858 440865096 /nfs/dbraw/zinc/86/50/96/440865096.db2.gz WNWZAJDOAPWELA-LJGDNWOOSA-N -1 0 345.351 1.070 50 0 EDAARM COc1ccc(OC)c(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)c1 ZINC000000469962 440824891 /nfs/dbraw/zinc/82/48/91/440824891.db2.gz MORNFQFWYJLEMC-UHFFFAOYSA-N -1 0 336.369 1.604 50 0 EDAARM Cc1cc(=O)oc2cc(O[C@H](C)C(=O)N3CCC[C@@H]3C(=O)[O-])ccc12 ZINC000003191848 440891737 /nfs/dbraw/zinc/89/17/37/440891737.db2.gz FHLCGESJLLXQDI-BXUZGUMPSA-N -1 0 345.351 1.944 50 0 EDAARM CC1(C)[C@@H]2C[C@H]1C(CN1C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C1=O)=CC2 ZINC000003881886 440907544 /nfs/dbraw/zinc/90/75/44/440907544.db2.gz KFWIQRFOCDYDRG-IEVNUUMUSA-N -1 0 329.396 1.845 50 0 EDAARM Cn1cc(C(=O)[N-]S(=O)(=O)Nc2cccnc2)c2ccccc21 ZINC000006671766 441006257 /nfs/dbraw/zinc/00/62/57/441006257.db2.gz JADCHKBSGHDRGN-UHFFFAOYSA-N -1 0 330.369 1.660 50 0 EDAARM O=C(CCn1[n-]c(=O)ccc1=O)Nc1ccc(OC(F)F)cc1 ZINC000007327608 441046311 /nfs/dbraw/zinc/04/63/11/441046311.db2.gz ITRJNMUIBVXSKH-UHFFFAOYSA-N -1 0 325.271 1.167 50 0 EDAARM Cc1nn(C)c2cnn(CCNC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])c12 ZINC000057279869 441104546 /nfs/dbraw/zinc/10/45/46/441104546.db2.gz GEDKMUIIQDLPGA-VXGBXAGGSA-N -1 0 333.392 1.085 50 0 EDAARM CSc1ccc(-c2ccc(=O)n(CC(=O)N[C@H](C)C(=O)[O-])n2)cc1 ZINC000071328959 441144561 /nfs/dbraw/zinc/14/45/61/441144561.db2.gz NPDOSYHDJDXKTD-SNVBAGLBSA-N -1 0 347.396 1.222 50 0 EDAARM COc1ccccc1CC(=O)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990455 441174097 /nfs/dbraw/zinc/17/40/97/441174097.db2.gz VKDHSPOJXFGMPL-UHFFFAOYSA-N -1 0 338.367 1.159 50 0 EDAARM CC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)cc1 ZINC000047328511 441176824 /nfs/dbraw/zinc/17/68/24/441176824.db2.gz VKPJXMNNEBZMRQ-UHFFFAOYSA-N -1 0 343.368 1.666 50 0 EDAARM O=C([N-]O[C@@H]1CCCCO1)[C@@H]1CC(=O)N(c2ccc3c(c2)OCO3)C1 ZINC000058377069 441187371 /nfs/dbraw/zinc/18/73/71/441187371.db2.gz QYDAUGVHLQYBLH-BDJLRTHQSA-N -1 0 348.355 1.343 50 0 EDAARM O=C1[N-]C(=O)/C(=C/c2ccc(O)c(I)c2)N1 ZINC000100253388 441151522 /nfs/dbraw/zinc/15/15/22/441151522.db2.gz RZFDYLLHWYUKRN-DAXSKMNVSA-N -1 0 330.081 1.177 50 0 EDAARM CCOC(=O)c1c[n-]n(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)c1=N ZINC000101142412 441154230 /nfs/dbraw/zinc/15/42/30/441154230.db2.gz BDWJTUVRNIJWEA-ZDUSSCGKSA-N -1 0 346.431 1.992 50 0 EDAARM CC(C)c1ccc([C@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1 ZINC000101763633 441161943 /nfs/dbraw/zinc/16/19/43/441161943.db2.gz DSPVAPROXHZNHG-GFCCVEGCSA-N -1 0 328.372 1.341 50 0 EDAARM CC(C)n1cc(C(=O)[O-])c(=O)c(C(=O)N2CC(c3ccccn3)C2)c1 ZINC000426412747 447438260 /nfs/dbraw/zinc/43/82/60/447438260.db2.gz QOVLSIPPKPOEMC-UHFFFAOYSA-N -1 0 341.367 1.762 50 0 EDAARM COCCN1C(=O)c2ccccc2[C@@H](C(=O)[O-])[C@H]1c1nccn1C ZINC000072275874 441216915 /nfs/dbraw/zinc/21/69/15/441216915.db2.gz HLJAGWVOIJVJHU-KGLIPLIRSA-N -1 0 329.356 1.432 50 0 EDAARM CCCn1nc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)ccc1=O ZINC000072277074 441217801 /nfs/dbraw/zinc/21/78/01/441217801.db2.gz CROUTCPMGIQEQZ-OAHLLOKOSA-N -1 0 343.383 1.908 50 0 EDAARM CC(=O)Nc1ccc(S(=O)(=O)[N-]C(=O)c2n[nH]c(C)c2C)cc1 ZINC000072286393 441221000 /nfs/dbraw/zinc/22/10/00/441221000.db2.gz VBXGXGKCUYSDHD-UHFFFAOYSA-N -1 0 336.373 1.104 50 0 EDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2cc(C)no2)cc1OC ZINC000084124172 441383351 /nfs/dbraw/zinc/38/33/51/441383351.db2.gz FTQRIYCPPDQOIN-LLVKDONJSA-N -1 0 334.328 1.946 50 0 EDAARM Cc1cc([N-]S(=O)(=O)c2cc3n(c2)CCCNC3=O)ccc1F ZINC000065258672 441411291 /nfs/dbraw/zinc/41/12/91/441411291.db2.gz LWUDZXSMAIHMQZ-UHFFFAOYSA-N -1 0 337.376 1.870 50 0 EDAARM Cc1ccccc1S([O-])=CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000089696837 441571562 /nfs/dbraw/zinc/57/15/62/441571562.db2.gz KLYYMWWAXLXUCI-PSLXWICFSA-N -1 0 336.457 1.620 50 0 EDAARM CCC(=O)NCc1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC000076042532 441581502 /nfs/dbraw/zinc/58/15/02/441581502.db2.gz HVLSGDKWSIWYIO-UHFFFAOYSA-N -1 0 325.415 1.970 50 0 EDAARM O=C([O-])[C@@H]1[C@H]2C[C@@H]3[C@@H](OC(=O)[C@@H]31)[C@H]2Sc1ccc([N+](=O)[O-])cc1 ZINC000035828550 441604004 /nfs/dbraw/zinc/60/40/04/441604004.db2.gz IAZPUYOEEIBQDC-NGFXDRFKSA-N -1 0 335.337 1.948 50 0 biogenic,in-vitro EDAARM CCc1nn(C)cc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000091021736 441649993 /nfs/dbraw/zinc/64/99/93/441649993.db2.gz KUXDFGVLBJKAML-UHFFFAOYSA-N -1 0 334.401 1.069 50 0 EDAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)c1cccnc1 ZINC000115900826 441786631 /nfs/dbraw/zinc/78/66/31/441786631.db2.gz YPDIDCOUWLWQGO-OAHLLOKOSA-N -1 0 332.381 1.591 50 0 EDAARM O=C([N-]S(=O)(=O)C[C@H]1CCOC1)c1noc2c1CCCCC2 ZINC000159309338 441802786 /nfs/dbraw/zinc/80/27/86/441802786.db2.gz QXNFCDJJZAAHQI-JTQLQIEISA-N -1 0 328.390 1.040 50 0 EDAARM CCCS(=O)(=O)[N-]C(=O)C[C@@H]1c2ccccc2CCN1C(C)=O ZINC000123068071 441874550 /nfs/dbraw/zinc/87/45/50/441874550.db2.gz KVJWVHFBZWQXCR-OAHLLOKOSA-N -1 0 338.429 1.378 50 0 EDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 ZINC000069434076 441935364 /nfs/dbraw/zinc/93/53/64/441935364.db2.gz QGTGVDCEUOQEKP-FZMZJTMJSA-N -1 0 326.418 1.664 50 0 EDAARM C[C@H](NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O)[C@@H]1CCCO1 ZINC000069520382 441962506 /nfs/dbraw/zinc/96/25/06/441962506.db2.gz GBOJLELTNUEPRV-ZANVPECISA-N -1 0 330.381 1.495 50 0 EDAARM COc1ccc(OC)c([C@@H]2[C@H](C(=O)[O-])CC(=O)N2C[C@@H]2CCCO2)c1 ZINC000069699995 442012961 /nfs/dbraw/zinc/01/29/61/442012961.db2.gz GNYLRAKHTCCPCM-DXCKQFNASA-N -1 0 349.383 1.857 50 0 EDAARM COCc1cccc(C(=O)[N-]S(=O)(=O)C[C@H]2CCCCO2)c1 ZINC000069702530 442015547 /nfs/dbraw/zinc/01/55/47/442015547.db2.gz VDYGIRAUCYLGLR-CQSZACIVSA-N -1 0 327.402 1.462 50 0 EDAARM COc1ccc(C)cc1S(=O)(=O)[N-]c1cnn([C@@H]2CCOC2)c1 ZINC000096123256 442039921 /nfs/dbraw/zinc/03/99/21/442039921.db2.gz OPIRYNCUHJGIMD-CYBMUJFWSA-N -1 0 337.401 1.962 50 0 EDAARM O=C([O-])[C@@]12CN(C(=O)CCn3cccn3)C[C@@H]1c1ccccc1OC2 ZINC000096164477 442052331 /nfs/dbraw/zinc/05/23/31/442052331.db2.gz BVCYVHMCWAWUPE-RDTXWAMCSA-N -1 0 341.367 1.363 50 0 EDAARM Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1nn2c([n-]1)nc(C)cc2=O ZINC000170091295 442229215 /nfs/dbraw/zinc/22/92/15/442229215.db2.gz WZDUCPBSCQUKAN-MNOVXSKESA-N -1 0 343.412 1.928 50 0 EDAARM Cn1c(=O)c2ccc(C(=O)NC[C@H]3CCCC[C@@H]3O)cc2[n-]c1=S ZINC000155803653 442428471 /nfs/dbraw/zinc/42/84/71/442428471.db2.gz TXDAFYDJTQRIAA-RISCZKNCSA-N -1 0 347.440 1.503 50 0 EDAARM Cn1cc(CC(=O)[N-]S(=O)(=O)Cc2ccc(Cl)c(F)c2)cn1 ZINC000191692066 442491102 /nfs/dbraw/zinc/49/11/02/442491102.db2.gz FJBFQEOLRZCDBT-UHFFFAOYSA-N -1 0 345.783 1.401 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)CCc2nncn2-c2ccccc2)C1 ZINC000136114433 442650587 /nfs/dbraw/zinc/65/05/87/442650587.db2.gz HSBLLTKTAMNRTG-CYBMUJFWSA-N -1 0 328.372 1.523 50 0 EDAARM O=C([N-]S(=O)(=O)C[C@@H]1CCOC1)c1cncc(-c2ccccc2)c1 ZINC000157870629 442622113 /nfs/dbraw/zinc/62/21/13/442622113.db2.gz NIFDNHDHLWKOHE-CYBMUJFWSA-N -1 0 346.408 1.845 50 0 EDAARM CCCN(CCC)C(=O)C(=O)c1c(N)[n-]n(-c2ccccc2)c1=O ZINC000198727361 443044564 /nfs/dbraw/zinc/04/45/64/443044564.db2.gz XCPSLYCVUJTBPW-ZDUSSCGKSA-N -1 0 330.388 1.139 50 0 EDAARM COc1ccc(F)cc1[C@@H](NC(=O)c1cc(=O)[n-]o1)[C@H]1C[C@@H](O)C1 ZINC000222869078 443082712 /nfs/dbraw/zinc/08/27/12/443082712.db2.gz WSPVXNOIYWIKDA-KPCOEVGBSA-N -1 0 336.319 1.770 50 0 EDAARM C[C@]1(C(=O)[O-])CCN(C(=O)Cc2ccc(N3CCCC3=O)cc2)C1 ZINC000237643862 443178500 /nfs/dbraw/zinc/17/85/00/443178500.db2.gz NFZDAQKLPNVLFC-SFHVURJKSA-N -1 0 330.384 1.679 50 0 EDAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000237833614 443184009 /nfs/dbraw/zinc/18/40/09/443184009.db2.gz KLZBEQIQBMAHKZ-AWEZNQCLSA-N -1 0 329.356 1.415 50 0 EDAARM CC[C@@H](Oc1ccccc1F)C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000262408785 443193512 /nfs/dbraw/zinc/19/35/12/443193512.db2.gz CNEOGBMYRFSCOP-DGCLKSJQSA-N -1 0 325.336 1.685 50 0 EDAARM COCCn1cc(C(=O)N2CCOC[C@H]2C(=O)[O-])c2ccccc21 ZINC000268974606 443163157 /nfs/dbraw/zinc/16/31/57/443163157.db2.gz JCPHTNLHKMGZTD-HNNXBMFYSA-N -1 0 332.356 1.213 50 0 EDAARM CN1C(=O)CCc2cc(C(=O)N3C[C@@H]4CCC[C@@H]4[C@H]3C(=O)[O-])ccc21 ZINC000263047043 443222975 /nfs/dbraw/zinc/22/29/75/443222975.db2.gz RVMOCONBSMKTIH-ZQIUZPCESA-N -1 0 342.395 1.921 50 0 EDAARM CN1CCN(C(=O)C(C)(C)[N-]C(=O)C(F)(F)F)c2ccccc21 ZINC000241160570 443206111 /nfs/dbraw/zinc/20/61/11/443206111.db2.gz JYINQDGXSJGRCN-UHFFFAOYSA-N -1 0 329.322 1.927 50 0 EDAARM CN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccncc1 ZINC000244748514 443214452 /nfs/dbraw/zinc/21/44/52/443214452.db2.gz OJAUVUWJBBATJX-KRWDZBQOSA-N -1 0 339.395 1.552 50 0 EDAARM CCOc1ccc(/C=C\C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1OC ZINC000492151772 320377141 /nfs/dbraw/zinc/37/71/41/320377141.db2.gz AFFBHWOBTDBDOS-PKYBCLHXSA-N -1 0 335.356 1.419 50 0 EDAARM O=C1CN(Cc2cc(=O)oc3cc([O-])c(Cl)cc23)CN1C1CC1 ZINC000286346685 443695765 /nfs/dbraw/zinc/69/57/65/443695765.db2.gz XPDMANXAMIKHJS-UHFFFAOYSA-N -1 0 334.759 1.916 50 0 EDAARM Cc1cccc(=O)n1C[C@@](C)(O)C(=O)Nc1cccc(Cl)c1[O-] ZINC000281397123 443899314 /nfs/dbraw/zinc/89/93/14/443899314.db2.gz BWULFWASBXCQRA-MRXNPFEDSA-N -1 0 336.775 1.905 50 0 EDAARM O=C(N[C@H]1CCC(=O)N[C@@H]1C1CC1)c1nn(-c2ccccc2)cc1[O-] ZINC000375914467 447145305 /nfs/dbraw/zinc/14/53/05/447145305.db2.gz QIFIGBIVGOXPLM-XJKSGUPXSA-N -1 0 340.383 1.365 50 0 EDAARM O=C([O-])c1ccc(C(=O)NC2CCN(c3cnccn3)CC2)s1 ZINC000426535679 447466961 /nfs/dbraw/zinc/46/69/61/447466961.db2.gz IZFUKOZFPBEVAU-UHFFFAOYSA-N -1 0 332.385 1.635 50 0 EDAARM CC(=O)N1c2ccccc2C[C@H]1C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000583650584 448455369 /nfs/dbraw/zinc/45/53/69/448455369.db2.gz MRGRORMNOFDBMM-HOCLYGCPSA-N -1 0 332.400 1.827 50 0 EDAARM CO[C@H](CS(=O)(=O)N1CCC[C@@H](C(=O)[O-])C1)c1ccc(F)cc1 ZINC000530139729 449058899 /nfs/dbraw/zinc/05/88/99/449058899.db2.gz NRXQPSGPHUQMPF-TZMCWYRMSA-N -1 0 345.392 1.640 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)/C=C\c2ccc(N3CCCC3=O)cc2)CCO1 ZINC000606441907 449467485 /nfs/dbraw/zinc/46/74/85/449467485.db2.gz BCDODHOPZKZIRL-GTBONMDNSA-N -1 0 344.367 1.139 50 0 EDAARM O=C([O-])C[C@]1(NC(=O)c2ccc(C3CCOCC3)cc2)CCOC1 ZINC000630195970 451041850 /nfs/dbraw/zinc/04/18/50/451041850.db2.gz CZTWKPUFPZSFSQ-GOSISDBHSA-N -1 0 333.384 1.944 50 0 EDAARM CC(C)(C)N1C[C@@H](C(=O)N2CCc3ccccc3[C@@H]2C(=O)[O-])CC1=O ZINC000663144539 453704105 /nfs/dbraw/zinc/70/41/05/453704105.db2.gz LLDPHEWRWUBUDO-XJKSGUPXSA-N -1 0 344.411 1.844 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cnn(C[C@H]2CCCCO2)c1 ZINC000390827076 486461549 /nfs/dbraw/zinc/46/15/49/486461549.db2.gz DTUALAJYGARYOL-CYBMUJFWSA-N -1 0 340.405 1.858 50 0 EDAARM 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EDAARM COc1cc(/C=C\C(=O)N(CC(=O)[O-])C2CCOCC2)cc(OC)c1 ZINC000492137995 255159715 /nfs/dbraw/zinc/15/97/15/255159715.db2.gz KUVOHBGXMCZKAD-ARJAWSKDSA-N -1 0 349.383 1.809 50 0 EDAARM CC(C)c1ccc(OCCNC(=O)CN2CCC[C@@H]2C(=O)[O-])cc1 ZINC000236679523 258005637 /nfs/dbraw/zinc/00/56/37/258005637.db2.gz BQDSTCBAXSGHME-MRXNPFEDSA-N -1 0 334.416 1.854 50 0 EDAARM CC(C)N1C[C@H](C(=O)NC[C@@H](Cc2ccccc2)C(=O)[O-])CC1=O ZINC000236595679 258006184 /nfs/dbraw/zinc/00/61/84/258006184.db2.gz QJOJKMLMCORERM-HUUCEWRRSA-N -1 0 332.400 1.303 50 0 EDAARM CC(C)[C@H](Oc1ccc(F)cc1F)C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000299753597 258006576 /nfs/dbraw/zinc/00/65/76/258006576.db2.gz YSSGBNVHXQHODD-KGLIPLIRSA-N -1 0 343.326 1.680 50 0 EDAARM COc1cccc2c1OCC(C(=O)Nc1ccn(CC(=O)[O-])n1)=C2 ZINC000299753322 258006726 /nfs/dbraw/zinc/00/67/26/258006726.db2.gz XULOVSAFGIAPJB-UHFFFAOYSA-N -1 0 329.312 1.391 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(Cn3ccccc3=O)o2)C1 ZINC000299750242 258007560 /nfs/dbraw/zinc/00/75/60/258007560.db2.gz NAKOZWBYIQESCD-GFCCVEGCSA-N -1 0 330.340 1.426 50 0 EDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000299749581 258007667 /nfs/dbraw/zinc/00/76/67/258007667.db2.gz KWRSVIMDTOUNIP-MRXNPFEDSA-N -1 0 349.350 1.314 50 0 EDAARM Cc1ccc(S(=O)(=O)CCC(=O)N2CC[C@H](C(=O)[O-])C2)cc1 ZINC000299743190 258009064 /nfs/dbraw/zinc/00/90/64/258009064.db2.gz MLNGQXANOWGTLJ-LBPRGKRZSA-N -1 0 325.386 1.092 50 0 EDAARM Cc1cc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc(S(N)(=O)=O)c1C ZINC000299366028 258010708 /nfs/dbraw/zinc/01/07/08/258010708.db2.gz OZINCMWNIHMLKB-LBPRGKRZSA-N -1 0 340.401 1.030 50 0 EDAARM O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1[n-]c(=O)nc2ccccc21 ZINC000299761560 258078397 /nfs/dbraw/zinc/07/83/97/258078397.db2.gz KKWZLXGIFAOHJP-JTQLQIEISA-N -1 0 326.356 1.076 50 0 EDAARM CC(=O)N1CCCc2ccc(S(=O)(=O)[N-]c3nonc3C)cc21 ZINC000187716105 278032874 /nfs/dbraw/zinc/03/28/74/278032874.db2.gz FWMZWNTZZLFZBR-UHFFFAOYSA-N -1 0 336.373 1.478 50 0 EDAARM COc1cc(F)ccc1[C@@H](C(=O)[O-])N1CCN(c2cnccn2)CC1 ZINC000095388982 294992909 /nfs/dbraw/zinc/99/29/09/294992909.db2.gz FGZSZGVALAEVQG-INIZCTEOSA-N -1 0 346.362 1.572 50 0 EDAARM COc1ccc(C)cc1NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC000262410023 295106762 /nfs/dbraw/zinc/10/67/62/295106762.db2.gz NVBYQSXYVPFOAZ-SCRDCRAPSA-N -1 0 346.383 1.654 50 0 EDAARM C[C@@]12CC(=O)[C@@](C)(C1)[C@@H]1C(=O)N(c3ccc(C(=O)[O-])cc3)C(=O)[C@@H]12 ZINC000102957702 297928942 /nfs/dbraw/zinc/92/89/42/297928942.db2.gz QBBIKAMODROGHL-JGTCGTHISA-N -1 0 327.336 1.880 50 0 EDAARM Cc1cc(C)n2nc(C(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)nc2n1 ZINC000237797436 301258851 /nfs/dbraw/zinc/25/88/51/301258851.db2.gz IHLZGLVNRVVBKT-AVGNSLFASA-N -1 0 343.387 1.599 50 0 EDAARM Cc1cc(NC(=O)CN2CCC[C@@H]2C(=O)[O-])n(-c2ccc(C)cc2)n1 ZINC000237824103 301348370 /nfs/dbraw/zinc/34/83/70/301348370.db2.gz VKDURUHFJXJOAN-OAHLLOKOSA-N -1 0 342.399 1.977 50 0 EDAARM O=C([O-])c1cn(CC(=O)N2CCC[C@H]2/C=C\c2ccccc2)nn1 ZINC000556140891 306208318 /nfs/dbraw/zinc/20/83/18/306208318.db2.gz WCZUUPZDXDIJJW-CKXPSTMWSA-N -1 0 326.356 1.681 50 0 EDAARM Cc1ccccc1Cn1ccc([N-]S(=O)(=O)c2cnn(C)c2)n1 ZINC000002804451 440878203 /nfs/dbraw/zinc/87/82/03/440878203.db2.gz AIHYKZBMXFDPJB-UHFFFAOYSA-N -1 0 331.401 1.774 50 0 EDAARM Cc1cc(=O)oc2cc(O[C@@H](C)C(=O)N3CCC[C@H]3C(=O)[O-])ccc12 ZINC000003191842 440890107 /nfs/dbraw/zinc/89/01/07/440890107.db2.gz FHLCGESJLLXQDI-FZMZJTMJSA-N -1 0 345.351 1.944 50 0 EDAARM O=C([O-])c1cccc(NC(=O)CN2C(=O)COc3ccccc32)c1 ZINC000004841292 440927740 /nfs/dbraw/zinc/92/77/40/440927740.db2.gz IEBHSPBOFWPQMA-UHFFFAOYSA-N -1 0 326.308 1.749 50 0 EDAARM CCNC(=O)c1cc(S(=O)(=O)[N-]c2ccccn2)ccc1OC ZINC000006706809 441008632 /nfs/dbraw/zinc/00/86/32/441008632.db2.gz HBHSPBFRJPDUOI-UHFFFAOYSA-N -1 0 335.385 1.641 50 0 EDAARM Cc1nn(C)c2cnn(CCNC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c12 ZINC000057279867 441104775 /nfs/dbraw/zinc/10/47/75/441104775.db2.gz GEDKMUIIQDLPGA-RYUDHWBXSA-N -1 0 333.392 1.085 50 0 EDAARM Cc1noc(C)c1[C@H](C)C(=O)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000102139274 441166047 /nfs/dbraw/zinc/16/60/47/441166047.db2.gz HQYHXKCHXXANII-CABZTGNLSA-N -1 0 330.406 1.410 50 0 EDAARM COc1cc([C@H]2CC(C(=O)[O-])=Nc3nc(C)nn32)cc(OC)c1O ZINC000100247250 441151534 /nfs/dbraw/zinc/15/15/34/441151534.db2.gz YKPYYNRMOALIAJ-SNVBAGLBSA-N -1 0 332.316 1.293 50 0 EDAARM CCc1ccc(/C=C2\SC(=O)N(CC(=O)NCC(=O)[O-])C2=O)cc1 ZINC000016713255 441231293 /nfs/dbraw/zinc/23/12/93/441231293.db2.gz CJJLWALAJASRGR-GHXNOFRVSA-N -1 0 348.380 1.486 50 0 EDAARM O=C([N-]Cc1cccc(Cn2cncn2)c1)C(F)(F)Br ZINC000058424031 441193519 /nfs/dbraw/zinc/19/35/19/441193519.db2.gz PIXAWSZLNVSMJT-UHFFFAOYSA-N -1 0 345.147 1.930 50 0 EDAARM CCc1cccc([N-]S(=O)(=O)c2cc3n(c2)CCCNC3=O)c1 ZINC000065258621 441411766 /nfs/dbraw/zinc/41/17/66/441411766.db2.gz ICIOVHUAXWIADK-UHFFFAOYSA-N -1 0 333.413 1.985 50 0 EDAARM COc1ccc2c(c1)CN[C@@H](CCC(=O)[O-])N2C(=O)CCCl ZINC000032107491 441546926 /nfs/dbraw/zinc/54/69/26/441546926.db2.gz PXSWNAGOOIVIFV-CYBMUJFWSA-N -1 0 326.780 1.951 50 0 EDAARM NC(=O)c1ccc(OCC(=O)Nc2cccc(CC(=O)[O-])c2)cc1 ZINC000089780531 441578028 /nfs/dbraw/zinc/57/80/28/441578028.db2.gz RTLROKIEAMYNMY-UHFFFAOYSA-N -1 0 328.324 1.430 50 0 EDAARM O=C(CCn1c(=O)oc2ccccc21)NC1(C(=O)[O-])CCCCC1 ZINC000089873299 441588300 /nfs/dbraw/zinc/58/83/00/441588300.db2.gz IECLFDCDRCICDI-UHFFFAOYSA-N -1 0 332.356 1.888 50 0 EDAARM CC[C@@H](OC1CCCC1)C(=O)[N-]S(=O)(=O)c1c(C)noc1C ZINC000113650369 441623371 /nfs/dbraw/zinc/62/33/71/441623371.db2.gz MVPHXSRYYYAJEK-GFCCVEGCSA-N -1 0 330.406 1.834 50 0 EDAARM Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)[C@H]2CCCO2)c1 ZINC000069434087 441935394 /nfs/dbraw/zinc/93/53/94/441935394.db2.gz QGTGVDCEUOQEKP-SMDDNHRTSA-N -1 0 326.418 1.664 50 0 EDAARM CSc1ccc(CC(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])cc1 ZINC000095522264 441946885 /nfs/dbraw/zinc/94/68/85/441946885.db2.gz FZWQZOKGEHXYFY-CQSZACIVSA-N -1 0 331.397 1.712 50 0 EDAARM CS(=O)(=O)c1nc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)n[n-]1 ZINC000069529210 441964500 /nfs/dbraw/zinc/96/45/00/441964500.db2.gz CUYPWPGFOWEDKO-RKDXNWHRSA-N -1 0 340.792 1.604 50 0 EDAARM CC1(C(=O)[N-]S(=O)(=O)c2cccc(S(C)(=O)=O)c2)CCCC1 ZINC000069581746 441981106 /nfs/dbraw/zinc/98/11/06/441981106.db2.gz RCCKHNDASHHAFO-UHFFFAOYSA-N -1 0 345.442 1.475 50 0 EDAARM CC1(C)CC(=O)c2cc(C(=O)[N-]O[C@H]3CCCCO3)c(=O)[nH]c2C1 ZINC000069703463 442016138 /nfs/dbraw/zinc/01/61/38/442016138.db2.gz KMVCZPZLMGIBON-AWEZNQCLSA-N -1 0 334.372 1.718 50 0 EDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)/C=C/c2c(C)nn(C)c2C)s1 ZINC000069845428 442055079 /nfs/dbraw/zinc/05/50/79/442055079.db2.gz QJLRHVCUKCCMKA-VOTSOKGWSA-N -1 0 339.442 1.925 50 0 EDAARM COc1c(CN(C)Cc2nc(=O)c3sccc3[n-]2)c(C)nn1C ZINC000097162309 442178057 /nfs/dbraw/zinc/17/80/57/442178057.db2.gz IEISREKHTPEOMZ-UHFFFAOYSA-N -1 0 333.417 1.667 50 0 EDAARM CCc1cc(N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])nc(N2CCCC2)n1 ZINC000097370550 442191920 /nfs/dbraw/zinc/19/19/20/442191920.db2.gz MUNZXUUWVWPCMY-CQSZACIVSA-N -1 0 342.403 1.378 50 0 EDAARM CN(CC(=O)[O-])C(=O)[C@@H]1CCC(=O)N(C)[C@@H]1c1cccc(Cl)c1 ZINC000153097209 442261635 /nfs/dbraw/zinc/26/16/35/442261635.db2.gz HOILJJTZXBNWLX-IUODEOHRSA-N -1 0 338.791 1.793 50 0 EDAARM Cn1nccc1CCNC(=O)c1nn(-c2ccc(Cl)cc2)cc1[O-] ZINC000194490231 442906081 /nfs/dbraw/zinc/90/60/81/442906081.db2.gz SMUNOPMDEGXQCC-UHFFFAOYSA-N -1 0 345.790 1.937 50 0 EDAARM Cc1cc(Br)c(O)c([N-]S(=O)(=O)c2cn[nH]c2)c1 ZINC000182428004 318506144 /nfs/dbraw/zinc/50/61/44/318506144.db2.gz ZXNORCKSWOFIBN-UHFFFAOYSA-N -1 0 332.179 1.987 50 0 EDAARM COCCOc1ccc(F)cc1S(=O)(=O)[N-]c1cnsn1 ZINC000253428659 443067459 /nfs/dbraw/zinc/06/74/59/443067459.db2.gz NGDSIPGMTWCPMK-UHFFFAOYSA-N -1 0 333.366 1.503 50 0 EDAARM CCOc1ccccc1N1C[C@@H](C(=O)NC(C)(C)C(=O)[O-])CC1=O ZINC000268885457 443137187 /nfs/dbraw/zinc/13/71/87/443137187.db2.gz BWEDSHKDMDBHJW-NSHDSACASA-N -1 0 334.372 1.418 50 0 EDAARM Cc1oc(C(=O)[O-])cc1S(=O)(=O)N1CCN(CC(C)C)CC1 ZINC000236776611 443147602 /nfs/dbraw/zinc/14/76/02/443147602.db2.gz NZFUKVFARWVDHB-UHFFFAOYSA-N -1 0 330.406 1.249 50 0 EDAARM CN(C(=O)c1ccc(C(=O)[O-])o1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000237277100 443166648 /nfs/dbraw/zinc/16/66/48/443166648.db2.gz LIQNLIRDUHYGCM-GFCCVEGCSA-N -1 0 328.324 1.855 50 0 EDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1ncc(=O)c2ccccc21 ZINC000237930572 443188809 /nfs/dbraw/zinc/18/88/09/443188809.db2.gz LOFVMFTWRBSAMM-ZDUSSCGKSA-N -1 0 343.383 1.642 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2c(Cl)nc3ccccn32)CCO1 ZINC000238055520 443193393 /nfs/dbraw/zinc/19/33/93/443193393.db2.gz JZGTYHKGJPGUPX-ZWNMCFTASA-N -1 0 349.774 1.703 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)c2ccn(-c3ccccc3Cl)n2)CCO1 ZINC000238060660 443193755 /nfs/dbraw/zinc/19/37/55/443193755.db2.gz BQYCCPVPJUNFOZ-NSHDSACASA-N -1 0 349.774 1.841 50 0 EDAARM O=C([O-])CN(C(=O)CCc1cccc(F)c1F)C1CCOCC1 ZINC000238097537 443194497 /nfs/dbraw/zinc/19/44/97/443194497.db2.gz DEDQLSBKTARNCI-UHFFFAOYSA-N -1 0 327.327 1.990 50 0 EDAARM Cc1n[nH]c(C)c1S(=O)(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000261634406 443161947 /nfs/dbraw/zinc/16/19/47/443161947.db2.gz HYZPRUDTSLDZSH-UTUOFQBUSA-N -1 0 327.406 1.433 50 0 EDAARM CO[C@@H]1CCC[C@H]1[C@H]1COCCN1C(=O)Cc1ccc(C(=O)[O-])cc1 ZINC000263567531 443233311 /nfs/dbraw/zinc/23/33/11/443233311.db2.gz GQPVJYVPUKOOID-GVDBMIGSSA-N -1 0 347.411 1.970 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000269213258 443235793 /nfs/dbraw/zinc/23/57/93/443235793.db2.gz XEVBHBOVTMAKJA-MNOVXSKESA-N -1 0 336.775 1.626 50 0 EDAARM CC(C)CS(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000262484328 443198115 /nfs/dbraw/zinc/19/81/15/443198115.db2.gz YKDZJAZZYPEQDZ-XQQFMLRXSA-N -1 0 331.434 1.302 50 0 EDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2ccc3n[nH]nc3c2)oc1C ZINC000353830238 445774233 /nfs/dbraw/zinc/77/42/33/445774233.db2.gz VYPCKYZATRWYCG-UHFFFAOYSA-N -1 0 336.329 1.447 50 0 EDAARM COc1cc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])c2ccccc2n1 ZINC000426485494 447454290 /nfs/dbraw/zinc/45/42/90/447454290.db2.gz FSHCUENWMONART-AWEZNQCLSA-N -1 0 340.339 1.392 50 0 EDAARM Cc1n[nH]c(C)c1CC(=O)N1CCC[C@H](c2ccn(CC(=O)[O-])n2)C1 ZINC000426634125 447482876 /nfs/dbraw/zinc/48/28/76/447482876.db2.gz GNWKNCDICFKIIN-ZDUSSCGKSA-N -1 0 345.403 1.256 50 0 EDAARM COC(=O)c1cn([C@@H](CC(=O)[O-])c2ccccc2)cc2c(=O)[nH]nc1-2 ZINC000524733590 447945454 /nfs/dbraw/zinc/94/54/54/447945454.db2.gz XBFGQSZQNPXNLN-ZDUSSCGKSA-N -1 0 341.323 1.939 50 0 EDAARM O=C([O-])[C@H]1CN(S(=O)(=O)c2csc3ccccc32)CCO1 ZINC000582829983 448350321 /nfs/dbraw/zinc/35/03/21/448350321.db2.gz JWKKFCADWRUPOH-SNVBAGLBSA-N -1 0 327.383 1.375 50 0 EDAARM CC(C)(C(=O)[O-])C(=O)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC000578134254 448469698 /nfs/dbraw/zinc/46/96/98/448469698.db2.gz KRLTYZGVEVKXNU-UHFFFAOYSA-N -1 0 340.401 1.424 50 0 EDAARM COc1ccccc1O[C@H](C)CNC(=O)CCSCC(=O)[O-] ZINC000585134452 448706044 /nfs/dbraw/zinc/70/60/44/448706044.db2.gz USULBAOEPUNEIB-LLVKDONJSA-N -1 0 327.402 1.787 50 0 EDAARM C[C@H](CO)N(C)S(=O)(=O)c1cc(Cl)c(F)c(C(=O)[O-])c1 ZINC000585141253 448709775 /nfs/dbraw/zinc/70/97/75/448709775.db2.gz RVBUMXXFWLMQLI-ZCFIWIBFSA-N -1 0 325.745 1.179 50 0 EDAARM CCOC(=O)c1ccc([N-]S(=O)(=O)C[C@H](OC)C(C)C)c(O)c1 ZINC000585141476 448709915 /nfs/dbraw/zinc/70/99/15/448709915.db2.gz WMZYQGQPPUZUBG-AWEZNQCLSA-N -1 0 345.417 1.982 50 0 EDAARM Cc1nn(C)c2nc(C)c(C(=O)N(CC(=O)[O-])C3CCOCC3)cc12 ZINC000574519564 448892758 /nfs/dbraw/zinc/89/27/58/448892758.db2.gz TZCQXBHTFHSPAA-UHFFFAOYSA-N -1 0 346.387 1.291 50 0 EDAARM O=C(/C=C\c1cncc2ccccc12)[N-]S(=O)(=O)C[C@@H]1CCOC1 ZINC000606446261 449470399 /nfs/dbraw/zinc/47/03/99/449470399.db2.gz DSRCVIAXFJMDAZ-CFHLNLSMSA-N -1 0 346.408 1.731 50 0 EDAARM O=C([O-])COc1ccc(NC(=O)CN2CCCCC2=O)cc1Cl ZINC000630148872 451018751 /nfs/dbraw/zinc/01/87/51/451018751.db2.gz QIHBKPYLMBSYDN-UHFFFAOYSA-N -1 0 340.763 1.754 50 0 EDAARM Cc1cc(CC(=O)N2C[C@@H](c3ccc(F)cc3)[C@H](C(=O)[O-])C2)on1 ZINC000091713430 485918471 /nfs/dbraw/zinc/91/84/71/485918471.db2.gz OEPBTVOBBNSMKN-LSDHHAIUSA-N -1 0 332.331 1.991 50 0 EDAARM O=C(c1nc(Cl)ccc1Cl)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000084425340 486261421 /nfs/dbraw/zinc/26/14/21/486261421.db2.gz GCTPUPWQECZSLI-SSDOTTSWSA-N -1 0 327.175 1.921 50 0 EDAARM CC(C)S(=O)(=O)c1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1 ZINC000269061495 519787289 /nfs/dbraw/zinc/78/72/89/519787289.db2.gz ZVSLUTFMQSCPHN-INIZCTEOSA-N -1 0 339.413 1.806 50 0 EDAARM C[C@H](CN(C)C(=O)Cc1cc(Cl)c2c(c1)OCCO2)C(=O)[O-] ZINC000268942260 524278315 /nfs/dbraw/zinc/27/83/15/524278315.db2.gz TUGTYMCIBZNFPL-SECBINFHSA-N -1 0 327.764 1.833 50 0 EDAARM C[C@H](Oc1ccccc1C(F)(F)F)C(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268989336 525961117 /nfs/dbraw/zinc/96/11/17/525961117.db2.gz RHRLHKYZBXPKPE-ONGXEEELSA-N -1 0 347.289 1.785 50 0 EDAARM CC1(C)Cc2cccc(OCC(=O)N3CCO[C@@H](C(=O)[O-])C3)c2O1 ZINC000262959886 534958216 /nfs/dbraw/zinc/95/82/16/534958216.db2.gz KAJREBYFKHIKFB-CYBMUJFWSA-N -1 0 335.356 1.091 50 0 EDAARM 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COC(=O)c1ccc(CS(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1 ZINC000278474311 443343935 /nfs/dbraw/zinc/34/39/35/443343935.db2.gz IDPBFXCCRMFAAE-UHFFFAOYSA-N -1 0 335.385 1.822 50 0 EDAARM CN(Cc1nc(=O)c2sccc2[n-]1)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000270148170 443461253 /nfs/dbraw/zinc/46/12/53/443461253.db2.gz QTCDRNITYMJZFW-VIFPVBQESA-N -1 0 343.412 1.884 50 0 EDAARM O=S(=O)(Cc1ccccc1F)[N-]c1cncnc1-n1cccn1 ZINC000127239974 325709082 /nfs/dbraw/zinc/70/90/82/325709082.db2.gz NAEKJKBRWXGFRD-UHFFFAOYSA-N -1 0 333.348 1.743 50 0 EDAARM O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)c1cccc[n+]1[O-] ZINC000375958937 447175157 /nfs/dbraw/zinc/17/51/57/447175157.db2.gz DVTIXTTYYMYBBR-GFCCVEGCSA-N -1 0 348.725 1.145 50 0 EDAARM CC(C)Cc1nc(CN2CCC[C@H](c3ccn(CC(=O)[O-])n3)C2)no1 ZINC000426494289 447457253 /nfs/dbraw/zinc/45/72/53/447457253.db2.gz CHDQQZULMCVSER-ZDUSSCGKSA-N -1 0 347.419 1.929 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000390563738 447495131 /nfs/dbraw/zinc/49/51/31/447495131.db2.gz 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50 0 EDAARM COC(=O)[C@@]([N-]C(=O)C(F)(F)F)(c1cccn1C)C(F)(F)F ZINC000002601344 440866098 /nfs/dbraw/zinc/86/60/98/440866098.db2.gz RLSGRZCASNIBRZ-VIFPVBQESA-N -1 0 332.200 1.634 50 0 EDAARM CC(=O)Nc1ccc(S(=O)(=O)NC2(C(=O)[O-])CCCCC2)cc1 ZINC000000287775 440812325 /nfs/dbraw/zinc/81/23/25/440812325.db2.gz HGDSNYCKWLKVMM-UHFFFAOYSA-N -1 0 340.401 1.711 50 0 EDAARM NC(=O)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1[O-] ZINC000000386180 440818058 /nfs/dbraw/zinc/81/80/58/440818058.db2.gz UOANHBVRFVFHJX-UHFFFAOYSA-N -1 0 326.761 1.945 50 0 EDAARM O=C([O-])c1cccc(S(=O)(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000002637901 440868753 /nfs/dbraw/zinc/86/87/53/440868753.db2.gz QDFDEXAHWHFNPR-UHFFFAOYSA-N -1 0 333.325 1.355 50 0 EDAARM CC(C)NC(=O)c1cccc(NC(=O)c2nccnc2C(=O)[O-])c1 ZINC000071288278 441145108 /nfs/dbraw/zinc/14/51/08/441145108.db2.gz KSKGGPWBBSAGMH-UHFFFAOYSA-N -1 0 328.328 1.565 50 0 EDAARM Cc1noc(C)c1CCCNC(=O)c1c(C)[n-]n(CC(C)C)c1=O ZINC000101902129 441163551 /nfs/dbraw/zinc/16/35/51/441163551.db2.gz 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Cc1ncc(C(=O)[N-]S(=O)(=O)CCOc2ccccc2)s1 ZINC000170646049 442240961 /nfs/dbraw/zinc/24/09/61/442240961.db2.gz IPWQEHGZTDVWIH-UHFFFAOYSA-N -1 0 326.399 1.590 50 0 EDAARM CC(C)S(=O)(=O)c1ccccc1C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000261784340 443169943 /nfs/dbraw/zinc/16/99/43/443169943.db2.gz JWFMEDBJBQRBIC-LLVKDONJSA-N -1 0 325.386 1.415 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)Cc2coc(-c3ccccc3)n2)CCO1 ZINC000238196139 443196523 /nfs/dbraw/zinc/19/65/23/443196523.db2.gz UYGQMBIPFJGABW-CQSZACIVSA-N -1 0 330.340 1.586 50 0 EDAARM Cc1ccc(CN2C[C@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000237729155 443181419 /nfs/dbraw/zinc/18/14/19/443181419.db2.gz LMHWAXLTXQSXCG-HUUCEWRRSA-N -1 0 330.384 1.277 50 0 EDAARM CS(=O)(=O)CC1(CC(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])CC1 ZINC000262058715 443182132 /nfs/dbraw/zinc/18/21/32/443182132.db2.gz CSMGQCLLAMEXGO-UPJWGTAASA-N -1 0 343.445 1.446 50 0 EDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cn1ncc2ccccc2c1=O ZINC000237930870 443188778 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O=C([O-])C1CCC(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000299743657 444131203 /nfs/dbraw/zinc/13/12/03/444131203.db2.gz OIKJGSPRSOJJOK-KYHHOPLUSA-N -1 0 336.310 1.157 50 0 EDAARM C[C@@H]1CCN(C(=O)c2nn(-c3ccc(F)cc3F)cc2[O-])[C@@H]1CO ZINC000408523889 447675970 /nfs/dbraw/zinc/67/59/70/447675970.db2.gz VXMHCQDBSJCYOC-NOZJJQNGSA-N -1 0 337.326 1.699 50 0 EDAARM O=C([O-])CN(C(=O)c1cc2ccccc2c(=O)[nH]1)C1CCOCC1 ZINC000532602741 448279938 /nfs/dbraw/zinc/27/99/38/448279938.db2.gz AZDGCIUSBVXXEP-UHFFFAOYSA-N -1 0 330.340 1.646 50 0 EDAARM CN(Cc1cnn(CCC(=O)[O-])c1)C[C@H]1COc2ccccc2O1 ZINC000534587175 448456707 /nfs/dbraw/zinc/45/67/07/448456707.db2.gz OMBOLUATBKQXMM-AWEZNQCLSA-N -1 0 331.372 1.630 50 0 EDAARM Cc1nc2ccccc2c(C)c1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000521363662 448975101 /nfs/dbraw/zinc/97/51/01/448975101.db2.gz KXINNSXTVLGCRA-MRXNPFEDSA-N -1 0 328.368 1.706 50 0 EDAARM C[C@@H]1CC[C@H](C(=O)[O-])N1S(=O)(=O)c1cccc2c1OCCO2 ZINC000650232809 452616756 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CCC[C@](C)(NS(=O)(=O)c1cc(OC)c(OC)cc1F)C(=O)[O-] ZINC000097757756 219054928 /nfs/dbraw/zinc/05/49/28/219054928.db2.gz KVTQIWJUPZEFFU-AWEZNQCLSA-N -1 0 349.380 1.765 50 0 EDAARM CC(C)C[C@@H](NC(=O)[C@@H](C)NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000004535879 210215586 /nfs/dbraw/zinc/21/55/86/210215586.db2.gz YRQTWFBFEXBEQX-TZMCWYRMSA-N -1 0 336.388 1.917 50 0 EDAARM CCN(C(C)=O)[C@@H]1CCN(C(=O)c2ccccc2NCC(=O)[O-])C1 ZINC000065394611 214886985 /nfs/dbraw/zinc/88/69/85/214886985.db2.gz DRVAIRDAWUIOOF-CYBMUJFWSA-N -1 0 333.388 1.266 50 0 EDAARM COc1ccc2c(C)c(CC(=O)N3CCC[C@H]3C(=O)[O-])c(=O)oc2c1 ZINC000004064077 210111262 /nfs/dbraw/zinc/11/12/62/210111262.db2.gz DSKXDXAEQZHOMX-AWEZNQCLSA-N -1 0 345.351 1.728 50 0 EDAARM CCN(CC)S(=O)(=O)c1ccc(OC)c([N-]S(C)(=O)=O)c1 ZINC000003991875 210096644 /nfs/dbraw/zinc/09/66/44/210096644.db2.gz YUCXZDSOWWEHCM-UHFFFAOYSA-N -1 0 336.435 1.097 50 0 EDAARM CC(=O)Nc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)[O-])C2)cc1 ZINC000003865038 210080102 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COc1ccccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1 ZINC000000187528 440804722 /nfs/dbraw/zinc/80/47/22/440804722.db2.gz WXYYEQBEHQAZTR-UHFFFAOYSA-N -1 0 342.398 1.143 50 0 EDAARM CC(C)(C)NC(=O)CSc1nnnn1-c1ccc(C(=O)[O-])cc1 ZINC000000080586 440797064 /nfs/dbraw/zinc/79/70/64/440797064.db2.gz IPUBATLPLYJJEA-UHFFFAOYSA-N -1 0 335.389 1.367 50 0 EDAARM O=C([O-])c1c(Cl)ccc(S(=O)(=O)N2CCOCC2)c1Cl ZINC000000269340 440811311 /nfs/dbraw/zinc/81/13/11/440811311.db2.gz REPQHGIVMSXNKM-UHFFFAOYSA-N -1 0 340.184 1.713 50 0 EDAARM COc1ccc(OCC(=O)Nc2cnn(CCCC(=O)[O-])c2)cc1 ZINC000001424804 440844721 /nfs/dbraw/zinc/84/47/21/440844721.db2.gz MABOZMPCNRNAPK-UHFFFAOYSA-N -1 0 333.344 1.774 50 0 EDAARM CSCC[C@@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000001795936 440853253 /nfs/dbraw/zinc/85/32/53/440853253.db2.gz XWJNKCOADQIXDX-SNVBAGLBSA-N -1 0 341.813 1.964 50 0 EDAARM Cc1cc(O[C@H](C)C(=O)NCC(=O)[O-])c2c3c(c(=O)oc2c1)CCC3 ZINC000002115158 440857624 /nfs/dbraw/zinc/85/76/24/440857624.db2.gz 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441174115 /nfs/dbraw/zinc/17/41/15/441174115.db2.gz CZODHZGMPRKRIP-UHFFFAOYSA-N -1 0 333.351 1.702 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2S(N)(=O)=O)cc1C ZINC000071916521 441196564 /nfs/dbraw/zinc/19/65/64/441196564.db2.gz VAHBABAMNBSNJE-UHFFFAOYSA-N -1 0 340.426 1.752 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)COc2cccc(Br)c2)C1 ZINC000062118438 441296991 /nfs/dbraw/zinc/29/69/91/441296991.db2.gz IKWZQPPSAOVNJQ-SECBINFHSA-N -1 0 328.162 1.761 50 0 EDAARM CCn1ncn2cc(S(=O)(=O)[N-]c3ccccc3C)cc2c1=O ZINC000065246767 441409075 /nfs/dbraw/zinc/40/90/75/441409075.db2.gz XHCATASPKZYEPA-UHFFFAOYSA-N -1 0 332.385 1.625 50 0 EDAARM COCCOc1ccc(S(=O)(=O)[N-]c2ncc(C)s2)cc1 ZINC000065554855 441459054 /nfs/dbraw/zinc/45/90/54/441459054.db2.gz BSYNPACJQARTML-UHFFFAOYSA-N -1 0 328.415 2.278 50 0 EDAARM COc1cccc(CN(C)S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000075572321 441533825 /nfs/dbraw/zinc/53/38/25/441533825.db2.gz BGWOJYCTFDAZQH-CQSZACIVSA-N -1 0 342.417 1.311 50 0 EDAARM O=C([O-])CCCCNC(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC000089780765 441578362 /nfs/dbraw/zinc/57/83/62/441578362.db2.gz XXCQFHINFCXRSA-UHFFFAOYSA-N -1 0 340.401 1.112 50 0 EDAARM Cc1cc(C(=O)NCc2nc(=O)o[n-]2)nn1-c1ccccc1Cl ZINC000095989168 441973806 /nfs/dbraw/zinc/97/38/06/441973806.db2.gz JJKSNMGRTQDTPI-UHFFFAOYSA-N -1 0 333.735 1.440 50 0 EDAARM Cc1cc(CN(C)C(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)no1 ZINC000069484079 441947058 /nfs/dbraw/zinc/94/70/58/441947058.db2.gz FMUACINVDKJIDL-UHFFFAOYSA-N -1 0 329.360 1.137 50 0 EDAARM Cc1cnn(CC(=O)N2CCC(C(=O)[O-])(c3ccccc3)CC2)c1 ZINC000095960546 441960878 /nfs/dbraw/zinc/96/08/78/441960878.db2.gz CKMYUNZQLBXEIS-UHFFFAOYSA-N -1 0 327.384 1.837 50 0 EDAARM CC(C)Oc1ccc(CNC(=O)c2n[nH]c(=O)[n-]2)c(C(F)(F)F)c1 ZINC000069699671 442014014 /nfs/dbraw/zinc/01/40/14/442014014.db2.gz NMVINCZMXFCXOY-UHFFFAOYSA-N -1 0 344.293 1.834 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)C1(c2cccc(Cl)c2)CC1 ZINC000152465675 442216301 /nfs/dbraw/zinc/21/63/01/442216301.db2.gz 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COC(=O)N[C@@H]1CS[C@@H](CCCCC(=O)[O-])[C@H]1NC(=O)OC ZINC000003659946 440907576 /nfs/dbraw/zinc/90/75/76/440907576.db2.gz MYWMFXBHMKFOKF-YWVKMMECSA-N -1 0 334.394 1.196 50 0 EDAARM CC[C@H](C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000005258958 440944520 /nfs/dbraw/zinc/94/45/20/440944520.db2.gz GRVGHRORELXGGM-ZANVPECISA-N -1 0 329.374 1.235 50 0 EDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2cc(OC)ccc2OC)c[nH]1 ZINC000006779742 441013497 /nfs/dbraw/zinc/01/34/97/441013497.db2.gz WQFGWPXBUPJQEM-UHFFFAOYSA-N -1 0 340.357 1.619 50 0 EDAARM O=C(NCc1ccc2c(c1)OCO2)c1c(=O)[nH]c2ccccc2c1[O-] ZINC000009059114 441102290 /nfs/dbraw/zinc/10/22/90/441102290.db2.gz CDRQOECGQLZGGA-UHFFFAOYSA-N -1 0 338.319 1.892 50 0 EDAARM CCSc1nn2c([n-]1)nc(CSc1nnc(N)s1)cc2=O ZINC000009420690 441105194 /nfs/dbraw/zinc/10/51/94/441105194.db2.gz QMUSJWWELZRIGY-UHFFFAOYSA-N -1 0 341.447 1.668 50 0 EDAARM Cc1ccc(-c2nc([C@@H]3CCCCn4nnnc43)n(CC(=O)[O-])n2)o1 ZINC000097713489 441143858 /nfs/dbraw/zinc/14/38/58/441143858.db2.gz YSKYCUIVUHSCDU-JTQLQIEISA-N -1 0 343.347 1.233 50 0 EDAARM Cc1nc(CN2CCN(Cc3ccc(OCC(=O)[O-])cc3)CC2)no1 ZINC000097773170 441144779 /nfs/dbraw/zinc/14/47/79/441144779.db2.gz FZHJJBUYEQCBBQ-UHFFFAOYSA-N -1 0 346.387 1.159 50 0 EDAARM O=C([N-]n1cnc2ccccc2c1=O)c1cnn(-c2ccccc2)n1 ZINC000014122439 441173002 /nfs/dbraw/zinc/17/30/02/441173002.db2.gz JYXOLODTZWDXHY-UHFFFAOYSA-N -1 0 332.323 1.361 50 0 EDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NC(C)C)c2=O ZINC000017113429 441236753 /nfs/dbraw/zinc/23/67/53/441236753.db2.gz OKFUAXVKAXVMNT-UHFFFAOYSA-N -1 0 335.385 1.370 50 0 EDAARM COc1cccc([N-]S(=O)(=O)c2cc3n(c2)CCCNC3=O)c1 ZINC000065258629 441411372 /nfs/dbraw/zinc/41/13/72/441411372.db2.gz MGBAGUOADCKJKD-UHFFFAOYSA-N -1 0 335.385 1.431 50 0 EDAARM Cn1ncc(C(=O)NCCc2cccc(C(=O)[O-])c2)c1-n1cccc1 ZINC000107928931 441433478 /nfs/dbraw/zinc/43/34/78/441433478.db2.gz OBEJVEHKWFTSCC-UHFFFAOYSA-N -1 0 338.367 1.882 50 0 EDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)[C@H](O)COc1ccccc1C ZINC000055071715 441615291 /nfs/dbraw/zinc/61/52/91/441615291.db2.gz YOGTVPAKYRJVTI-CYBMUJFWSA-N -1 0 347.371 1.271 50 0 EDAARM COc1cccc2c1ccn2CC(=O)N[C@@H](CCSC)C(=O)[O-] ZINC000040310197 441621491 /nfs/dbraw/zinc/62/14/91/441621491.db2.gz NPXUKURLYKXQJJ-LBPRGKRZSA-N -1 0 336.413 1.972 50 0 EDAARM CSCC[C@H](NC(=O)CCNC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000041155370 441636152 /nfs/dbraw/zinc/63/61/52/441636152.db2.gz OXEYMGPDKLGFCS-ZDUSSCGKSA-N -1 0 338.429 1.437 50 0 EDAARM C[C@@H](NC(=O)CCc1nc(-c2ccccc2F)no1)c1nnn[n-]1 ZINC000055283522 441638069 /nfs/dbraw/zinc/63/80/69/441638069.db2.gz CWONUHNQDJKYIF-MRVPVSSYSA-N -1 0 331.311 1.199 50 0 EDAARM CC(=O)N1CCN(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)CC1 ZINC000067769790 441678266 /nfs/dbraw/zinc/67/82/66/441678266.db2.gz JWEOSBLZYJHOOC-UHFFFAOYSA-N -1 0 330.344 1.099 50 0 EDAARM CCC[C@@]1(C(=O)[O-])CCCN(Cc2nc3c(cnn3C)c(=O)[nH]2)C1 ZINC000091848879 441747728 /nfs/dbraw/zinc/74/77/28/441747728.db2.gz AJFDRIWNZQMYNG-MRXNPFEDSA-N -1 0 333.392 1.536 50 0 EDAARM Cc1nn(CCO)cc1-c1c(-c2ccccc2)ncn1CC(=O)[O-] ZINC000091952208 441754614 /nfs/dbraw/zinc/75/46/14/441754614.db2.gz HTZIVLPROQQAQV-UHFFFAOYSA-N -1 0 326.356 1.799 50 0 EDAARM CC(C)(C)c1cc(C(=O)N2C[C@@H](C(=O)[O-])[C@H](C3CC3)C2)[nH]c(=O)n1 ZINC000092037923 441763906 /nfs/dbraw/zinc/76/39/06/441763906.db2.gz VVDHZCNIOKLZHW-WDEREUQCSA-N -1 0 333.388 1.250 50 0 EDAARM CCOC(=O)N[C@H]1CCCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000057086794 441785266 /nfs/dbraw/zinc/78/52/66/441785266.db2.gz BXJXKJFBVSJRED-ZDUSSCGKSA-N -1 0 345.403 1.683 50 0 EDAARM O=S(=O)([N-][C@H]1CCN(c2ccccn2)C1)c1c(F)cccc1F ZINC000159301995 441801497 /nfs/dbraw/zinc/80/14/97/441801497.db2.gz MNAIAVPXELUFJQ-NSHDSACASA-N -1 0 339.367 1.917 50 0 EDAARM CN(CC1(O)CCCC1)C(=O)c1ccc2c(=O)[nH]c(=S)[n-]c2c1 ZINC000123900337 441903163 /nfs/dbraw/zinc/90/31/63/441903163.db2.gz UKOMPXJSOJQSRS-UHFFFAOYSA-N -1 0 333.413 1.589 50 0 EDAARM Cc1cc(S(=O)(=O)[N-]c2cc(-c3nncn3C)ccn2)c(C)o1 ZINC000095988782 441972774 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COc1cccc2cc(C(=O)[N-]S(=O)(=O)Cc3ccon3)oc21 ZINC000170649805 442241881 /nfs/dbraw/zinc/24/18/81/442241881.db2.gz FEFYYFJTURNLEN-UHFFFAOYSA-N -1 0 336.325 1.689 50 0 EDAARM O=C([O-])[C@H]1C[C@H]1C(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000191564297 442465632 /nfs/dbraw/zinc/46/56/32/442465632.db2.gz ZCONSGRBECEJHZ-ZJUUUORDSA-N -1 0 344.198 1.758 50 0 EDAARM C[C@H](C(F)(F)F)S(=O)(=O)[N-]CCN1CCc2sccc2C1 ZINC000182366809 442761087 /nfs/dbraw/zinc/76/10/87/442761087.db2.gz AMXNAJMLMFUXFG-SECBINFHSA-N -1 0 342.408 1.976 50 0 EDAARM Cc1nc(NC(=O)CN2CCC[C@H](c3ncc[nH]3)C2)sc1C(=O)[O-] ZINC000252485459 443029952 /nfs/dbraw/zinc/02/99/52/443029952.db2.gz GWAXLMCSIPQXIS-JTQLQIEISA-N -1 0 349.416 1.691 50 0 EDAARM CC(=O)Nc1ccc(C(C)=N/N=C2\NC(=O)[C@H](CC(=O)[O-])S2)cc1 ZINC000254378502 443075568 /nfs/dbraw/zinc/07/55/68/443075568.db2.gz IQPDIAZSTOJVFQ-LBPRGKRZSA-N -1 0 348.384 1.431 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000268978441 443164149 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EDAARM O=C([O-])[C@@H]1CN(C(=O)CCCc2nc3ccccc3s2)CCO1 ZINC000262949436 443217867 /nfs/dbraw/zinc/21/78/67/443217867.db2.gz IMCYZXLZHMDACK-LBPRGKRZSA-N -1 0 334.397 1.931 50 0 EDAARM CCOc1cc(/C=C\C(=O)N2CCO[C@@H](C(=O)[O-])C2)ccc1OC ZINC000492153866 320377311 /nfs/dbraw/zinc/37/73/11/320377311.db2.gz IJHUYLGETFTXGR-ZQMJAJRESA-N -1 0 335.356 1.419 50 0 EDAARM Cc1c(CC(=O)N2CCC[C@H](C(=O)[O-])C2)nnn1-c1ccc(C)cc1 ZINC000299745220 444132063 /nfs/dbraw/zinc/13/20/63/444132063.db2.gz WUYGBRKNZGYHSK-AWEZNQCLSA-N -1 0 342.399 1.750 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)c1csc(CCc2ccccc2)n1 ZINC000299749361 444134009 /nfs/dbraw/zinc/13/40/09/444134009.db2.gz KBSYGRVLSVWHJT-CQSZACIVSA-N -1 0 346.408 1.854 50 0 EDAARM Cc1c(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)nnn1-c1ccc(F)cc1 ZINC000299751638 444134340 /nfs/dbraw/zinc/13/43/40/444134340.db2.gz RBXFWYOWOKCYMY-ZDUSSCGKSA-N -1 0 348.334 1.031 50 0 EDAARM CN(CCC(=O)[O-])C(=O)C1CCN(c2ccc(Cl)cn2)CC1 ZINC000299752093 444135438 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50 0 EDAARM CC(C)[C@H](NC(=O)c1ccc(S(=O)(=O)C(C)C)cc1)C(=O)[O-] ZINC000108242130 204257553 /nfs/dbraw/zinc/25/75/53/204257553.db2.gz CITPOAHGTCMQLY-ZDUSSCGKSA-N -1 0 327.402 1.708 50 0 EDAARM Cc1oc(-c2cccs2)nc1CC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237663095 139057377 /nfs/dbraw/zinc/05/73/77/139057377.db2.gz RHSDAPLUBFOYDH-LLVKDONJSA-N -1 0 336.369 1.566 50 0 EDAARM O=C([O-])[C@@H]1CCCCN1C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1 ZINC000238033780 139067179 /nfs/dbraw/zinc/06/71/79/139067179.db2.gz SXPOPZVCABTJPD-LBPRGKRZSA-N -1 0 349.778 1.459 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000238078238 139068309 /nfs/dbraw/zinc/06/83/09/139068309.db2.gz QRIFAALTVXCRSF-AWEZNQCLSA-N -1 0 341.367 1.228 50 0 EDAARM COCCN(C)CC(=O)N1C[C@@H](c2cccc(F)c2)[C@H](C(=O)[O-])C1 ZINC000091460322 218010183 /nfs/dbraw/zinc/01/01/83/218010183.db2.gz ILCYJEILCLRWLB-LSDHHAIUSA-N -1 0 338.379 1.031 50 0 EDAARM CC(C)NS(=O)(=O)c1ccc(C(=O)NCC(C)(C)C(=O)[O-])cc1 ZINC000095425506 218367580 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CC(C)C[C@H](NC(=O)[C@@H]1CS[C@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084615 279187999 /nfs/dbraw/zinc/18/79/99/279187999.db2.gz BDWZXGZGXPGEHF-XEZPLFJOSA-N -1 0 348.424 1.872 50 0 EDAARM CN(C(=O)[C@@H]1[C@H](C(=O)[O-])C1(C)C)[C@@H]1CCc2ccccc2NC1=O ZINC000070666597 288899251 /nfs/dbraw/zinc/89/92/51/288899251.db2.gz KHTOPLGFWYEBPT-HZSPNIEDSA-N -1 0 330.384 1.755 50 0 EDAARM CN(C(=O)c1cccc(C(=O)[O-])c1)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000261729263 288923271 /nfs/dbraw/zinc/92/32/71/288923271.db2.gz GYOMKBGUWZOTJX-ZIAGYGMSSA-N -1 0 339.413 1.813 50 0 EDAARM C[C@@H]1C[C@@H](NC(=O)c2ccc(C(=O)[O-])o2)C(=O)N1c1ccccc1 ZINC000237570112 297282379 /nfs/dbraw/zinc/28/23/79/297282379.db2.gz HAGMWMSJFIVVLU-ZYHUDNBSSA-N -1 0 328.324 1.902 50 0 EDAARM Cc1ccn2c(c1)ncc(C(=O)N1CCCC[C@H]1CCC(=O)[O-])c2=O ZINC000237861435 302259719 /nfs/dbraw/zinc/25/97/19/302259719.db2.gz UTXUMUOXRGFXTJ-ZDUSSCGKSA-N -1 0 343.383 1.862 50 0 EDAARM Cc1nc2sccc2c(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])n1 ZINC000095387215 302687961 /nfs/dbraw/zinc/68/79/61/302687961.db2.gz CSPKUGYVHORHAO-LLVKDONJSA-N -1 0 346.412 1.559 50 0 EDAARM Cn1ncc(C(=O)[O-])c1C(=O)Nc1nnc(-c2ccncc2)s1 ZINC000020615325 303048729 /nfs/dbraw/zinc/04/87/29/303048729.db2.gz OQYZDGZYEWHPGU-UHFFFAOYSA-N -1 0 330.329 1.284 50 0 EDAARM O=C(c1ccc(F)cc1[O-])N1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000295624228 303243667 /nfs/dbraw/zinc/24/36/67/303243667.db2.gz KAJPYDKGBQHRIY-NWDGAFQWSA-N -1 0 328.343 1.953 50 0 EDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2nonc2C)c(F)cc1C ZINC000295932191 303284299 /nfs/dbraw/zinc/28/42/99/303284299.db2.gz KINVLDWJZHROOQ-UHFFFAOYSA-N -1 0 329.309 1.413 50 0 EDAARM O=C([O-])c1ccc(OS(=O)(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000001909001 440854232 /nfs/dbraw/zinc/85/42/32/440854232.db2.gz KIJKDQLYGMLKRM-UHFFFAOYSA-N -1 0 336.321 1.924 50 0 EDAARM O=C([O-])CCCn1c(=O)[nH]c2ccc(Br)cc2c1=O ZINC000000424181 440822144 /nfs/dbraw/zinc/82/21/44/440822144.db2.gz RRSCOCBKMQFRPE-UHFFFAOYSA-N -1 0 327.134 1.317 50 0 EDAARM 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PGRRHURVGJHUQC-UHFFFAOYSA-N -1 0 349.412 1.648 50 0 EDAARM Cc1noc(C)c1CC(=O)[N-]S(=O)(=O)N1CCc2ccccc21 ZINC000071859319 203131646 /nfs/dbraw/zinc/13/16/46/203131646.db2.gz MNSTURUPNKOLET-UHFFFAOYSA-N -1 0 335.385 1.258 50 0 EDAARM COc1cc(N2CCC(Oc3ccc(C)nc3)(C(=O)[O-])CC2)ncn1 ZINC000072412083 203217517 /nfs/dbraw/zinc/21/75/17/203217517.db2.gz FAVRCHTWXDQKNH-UHFFFAOYSA-N -1 0 344.371 1.691 50 0 EDAARM Nc1cc(N2CCC(C(=O)[O-])(n3cnc4ccccc43)CC2)ncn1 ZINC000072435539 203224305 /nfs/dbraw/zinc/22/43/05/203224305.db2.gz ZQQAXUDYCUKROO-UHFFFAOYSA-N -1 0 338.371 1.489 50 0 EDAARM O=C(NCCCc1n[nH]c(=O)[n-]1)c1ccc(Br)c(F)c1 ZINC000075093036 203300100 /nfs/dbraw/zinc/30/01/00/203300100.db2.gz DPUKFEKCHJQZPJ-UHFFFAOYSA-N -1 0 343.156 1.362 50 0 EDAARM CCc1n[nH]c(=O)c2cc(S(=O)(=O)[N-]c3cccc(OC)c3)cn21 ZINC000075874185 203325885 /nfs/dbraw/zinc/32/58/85/203325885.db2.gz BGBYOXCZYAWBGE-UHFFFAOYSA-N -1 0 348.384 1.394 50 0 EDAARM O=C([O-])[C@@H]1CN(c2nccnc2N2CCCC2)C[C@H]1c1ccncc1 ZINC000091486534 203635588 /nfs/dbraw/zinc/63/55/88/203635588.db2.gz XWVMOLKQJPUGNT-LSDHHAIUSA-N -1 0 339.399 1.776 50 0 EDAARM CCC[C@@H](NC(=O)/C=C/c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000095991864 203790139 /nfs/dbraw/zinc/79/01/39/203790139.db2.gz COUJCYHUVZGCAS-BTDICHCPSA-N -1 0 335.356 1.849 50 0 EDAARM COCc1cc(C(=O)NC[C@H](Cc2cccc(C)c2)C(=O)[O-])no1 ZINC000237191660 139043546 /nfs/dbraw/zinc/04/35/46/139043546.db2.gz GGMSMKMDKRCNRU-ZDUSSCGKSA-N -1 0 332.356 1.803 50 0 EDAARM O=C([O-])C1(NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)CCC1 ZINC000237948540 139064745 /nfs/dbraw/zinc/06/47/45/139064745.db2.gz MWWSPSDTZUNMFI-VIFPVBQESA-N -1 0 338.310 1.441 50 0 EDAARM O=C([O-])c1cccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 ZINC000000556918 206243261 /nfs/dbraw/zinc/24/32/61/206243261.db2.gz PZBJFBZKZPHPLU-UHFFFAOYSA-N -1 0 333.325 1.355 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)Cc1cccc(Br)c1 ZINC000088375987 304199763 /nfs/dbraw/zinc/19/97/63/304199763.db2.gz PDYNIAROPKIPMK-LLVKDONJSA-N -1 0 328.162 1.304 50 0 EDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2cncn2)cc1 ZINC000238044690 304207066 /nfs/dbraw/zinc/20/70/66/304207066.db2.gz JUEXWHBDIOGLBO-QGZVFWFLSA-N -1 0 348.362 1.919 50 0 EDAARM O=C([O-])CCNC(=O)Cc1cc2c(cc1Br)OCCO2 ZINC000266886761 249350329 /nfs/dbraw/zinc/35/03/29/249350329.db2.gz QSQPWRWBKUTZCC-UHFFFAOYSA-N -1 0 344.161 1.354 50 0 EDAARM CC(C)[C@H](CO)O[N-]C(=O)CNC(=O)c1ccc(C(C)(C)C)cc1 ZINC000408520678 250301267 /nfs/dbraw/zinc/30/12/67/250301267.db2.gz RYPSSULFAQFHJY-HNNXBMFYSA-N -1 0 336.432 1.779 50 0 EDAARM O=C([O-])C1CCN(C(=O)c2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 ZINC000262504200 139282992 /nfs/dbraw/zinc/28/29/92/139282992.db2.gz NXWSZVKRMFTTFX-OAHLLOKOSA-N -1 0 346.383 1.741 50 0 EDAARM C[C@@H]1CCCN(C(=O)CCOc2ccc(C(N)=O)cc2)[C@H]1C(=O)[O-] ZINC000263077729 139321117 /nfs/dbraw/zinc/32/11/17/139321117.db2.gz QXJMJIYWILYCJT-IAQYHMDHSA-N -1 0 334.372 1.266 50 0 EDAARM O=C([O-])[C@H](C[C@@H]1CCCc2ccccc21)NC(=O)c1ccc(=O)[nH]n1 ZINC000263168547 139326303 /nfs/dbraw/zinc/32/63/03/139326303.db2.gz WARPUJLSEXXMMP-WFASDCNBSA-N -1 0 341.367 1.463 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)NCc2nc(-c3cccc(F)c3)no2)C1 ZINC000263343406 139337033 /nfs/dbraw/zinc/33/70/33/139337033.db2.gz FXZLZOLIPNEPNL-LLVKDONJSA-N -1 0 348.334 1.882 50 0 EDAARM COc1ccc2c(c1)nc(CNC(=O)N1CCC(C(=O)[O-])CC1)n2C ZINC000263426787 139341291 /nfs/dbraw/zinc/34/12/91/139341291.db2.gz YBKXNYHAYPODOE-UHFFFAOYSA-N -1 0 346.387 1.588 50 0 EDAARM CN(C(=O)[C@H]1COc2ccccc2O1)[C@H](Cc1ccccc1)C(=O)[O-] ZINC000263464903 139343278 /nfs/dbraw/zinc/34/32/78/139343278.db2.gz QTPHRLIFUQNXPI-RHSMWYFYSA-N -1 0 341.363 1.981 50 0 EDAARM C[C@@]1(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CCCOC1 ZINC000263545046 139347229 /nfs/dbraw/zinc/34/72/29/139347229.db2.gz SVXCGGGDZJZCTM-OAHLLOKOSA-N -1 0 341.385 1.544 50 0 EDAARM O=C([O-])c1cc(S(=O)(=O)N2CCN3CCOc4cccc2c43)c[nH]1 ZINC000328586956 258046400 /nfs/dbraw/zinc/04/64/00/258046400.db2.gz NVGXNVPINBVXBZ-UHFFFAOYSA-N -1 0 349.368 1.121 50 0 EDAARM O=C(c1cc(=O)[n-]o1)N1CC[C@]2(C1)CCCN(C1CCOCC1)C2=O ZINC000091270489 304502924 /nfs/dbraw/zinc/50/29/24/304502924.db2.gz SNMMIWNHKFNUQM-KRWDZBQOSA-N -1 0 349.387 1.014 50 0 EDAARM CC[C@H](C)[C@@H](NC(=O)CCN1c2ccccc2O[C@@H](C)C1=O)C(=O)[O-] ZINC000268979407 287652937 /nfs/dbraw/zinc/65/29/37/287652937.db2.gz MEDSTMZKPNWCIC-MQIPJXDCSA-N -1 0 348.399 1.806 50 0 EDAARM CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000268962375 277980071 /nfs/dbraw/zinc/98/00/71/277980071.db2.gz ACOPDKAGHYWCBK-HZPDHXFCSA-N -1 0 344.367 1.263 50 0 EDAARM CC(=O)c1[nH]c(C)c(C(=O)N2Cc3nc[nH]c3C[C@@H]2C(=O)[O-])c1C ZINC000095501327 278239686 /nfs/dbraw/zinc/23/96/86/278239686.db2.gz KGIBMRXZXKRMSB-GFCCVEGCSA-N -1 0 330.344 1.209 50 0 EDAARM CC[C@H]1CN(c2ccccc2)CCN1C(=O)c1cnc(C(=O)[O-])cn1 ZINC000263451182 288300986 /nfs/dbraw/zinc/30/09/86/288300986.db2.gz SNFBLRNEBQGPFM-ZDUSSCGKSA-N -1 0 340.383 1.916 50 0 EDAARM CC1(C)[C@H]2C[C@@H]1C(CN1C[C@@]34C=C[C@@H](O3)[C@H](C(=O)[O-])[C@@H]4C1=O)=CC2 ZINC000035877400 281543545 /nfs/dbraw/zinc/54/35/45/281543545.db2.gz KFWIQRFOCDYDRG-VZTYJIHUSA-N -1 0 329.396 1.845 50 0 EDAARM CS(=O)(=O)C1(C(=O)Nc2ccc(C(=O)[O-])cc2F)CCCC1 ZINC000261907173 295475942 /nfs/dbraw/zinc/47/59/42/295475942.db2.gz FZAVQICJOJXMHM-UHFFFAOYSA-N -1 0 329.349 1.820 50 0 EDAARM C[C@@]1(NC(=O)c2ccc3[n-]c(=S)oc3c2)CCS(=O)(=O)C1 ZINC000170631949 297916505 /nfs/dbraw/zinc/91/65/05/297916505.db2.gz RJBAQXJJSDMNDU-CYBMUJFWSA-N -1 0 326.399 1.424 50 0 EDAARM Cc1ccccc1[C@H](CC(=O)N1CCC[C@H](C)[C@@H]1C(=O)[O-])NC(N)=O ZINC000263106444 302180832 /nfs/dbraw/zinc/18/08/32/302180832.db2.gz XSMADXUAFKUIQH-DUVNUKRYSA-N -1 0 347.415 1.806 50 0 EDAARM CC(=O)N(C)C1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])cc2)CC1 ZINC000492120573 305587418 /nfs/dbraw/zinc/58/74/18/305587418.db2.gz UKPKMGAPBVFNGP-YVMONPNESA-N -1 0 330.384 1.867 50 0 EDAARM CCOc1cc(/C=C\C(=O)N2CCOC[C@@H]2C(=O)[O-])ccc1OC ZINC000492991991 305609492 /nfs/dbraw/zinc/60/94/92/305609492.db2.gz XUWMRWAXTRABNJ-SCXUMTSISA-N -1 0 335.356 1.419 50 0 EDAARM CCc1oc2ccccc2c1CC(=O)[N-]S(=O)(=O)c1cnnn1C ZINC000528993553 305895877 /nfs/dbraw/zinc/89/58/77/305895877.db2.gz PRMUXRAZGYITJA-UHFFFAOYSA-N -1 0 348.384 1.171 50 0 EDAARM CC(=O)N[C@H](Cc1ccc(O)c(I)c1)C(=O)[O-] ZINC000002015203 440854819 /nfs/dbraw/zinc/85/48/19/440854819.db2.gz IVMIEKMLDYZRFB-SECBINFHSA-N -1 0 349.124 1.129 50 0 in-vitro EDAARM COc1ccc([C@H](O)[C@@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1OC ZINC000002518283 440865426 /nfs/dbraw/zinc/86/54/26/440865426.db2.gz UGANDYWOMZTRQE-OLZOCXBDSA-N -1 0 341.360 1.715 50 0 EDAARM COc1cc(OC)cc(-n2c(=O)[nH]c3cc(C(=O)[O-])ccc3c2=O)c1 ZINC000000423064 440822179 /nfs/dbraw/zinc/82/21/79/440822179.db2.gz TXBKBIUDBAKPSQ-UHFFFAOYSA-N -1 0 342.307 1.394 50 0 EDAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@@H]2SC1 ZINC000002786000 440876364 /nfs/dbraw/zinc/87/63/64/440876364.db2.gz KQCIIQCDGIMQQQ-YGRLFVJLSA-N -1 0 336.344 1.198 50 0 EDAARM O=C([O-])CCN1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC000004487280 440919275 /nfs/dbraw/zinc/91/92/75/440919275.db2.gz BMGWCDZGSSTQMW-UHFFFAOYSA-N -1 0 348.424 1.621 50 0 EDAARM CC1(C)[C@@H]2C[C@H]1C(CN1C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C1=O)=CC2 ZINC000003881888 440907494 /nfs/dbraw/zinc/90/74/94/440907494.db2.gz KFWIQRFOCDYDRG-QUYUGOAUSA-N -1 0 329.396 1.845 50 0 EDAARM O=C1C(Cl)=C(Cl)C(=O)N1c1cccc2c(=O)[nH][n-]c(=O)c21 ZINC000005314576 440947711 /nfs/dbraw/zinc/94/77/11/440947711.db2.gz HCPLMJVTXKWPCI-UHFFFAOYSA-N -1 0 326.095 1.191 50 0 EDAARM Cc1cc([N-]S(=O)(=O)c2cc3oc(=O)n(C)c3cc2Cl)no1 ZINC000005353263 440950382 /nfs/dbraw/zinc/95/03/82/440950382.db2.gz YJZAIBUZVVLJBY-UHFFFAOYSA-N -1 0 343.748 1.882 50 0 EDAARM CC(=O)N(C(=O)CCC(=O)[O-])c1c(C)n(C)n(-c2ccccc2)c1=O ZINC000004550570 440922844 /nfs/dbraw/zinc/92/28/44/440922844.db2.gz FISYUTSNHJPUHT-UHFFFAOYSA-N -1 0 345.355 1.229 50 0 EDAARM COc1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)c(OC)c1 ZINC000006681491 441007472 /nfs/dbraw/zinc/00/74/72/441007472.db2.gz HDLJMLVOGSNNCU-UHFFFAOYSA-N -1 0 342.398 1.665 50 0 EDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ccc(Br)cn1 ZINC000006706654 441008842 /nfs/dbraw/zinc/00/88/42/441008842.db2.gz FYYUOEDMZMBOTK-UHFFFAOYSA-N -1 0 331.195 1.687 50 0 EDAARM Cc1occc1C(=O)Nc1ccc2c(c1)C(=O)N(CCC(=O)[O-])C2=O ZINC000008907523 441101753 /nfs/dbraw/zinc/10/17/53/441101753.db2.gz UBUXGXKWOVDERH-UHFFFAOYSA-N -1 0 342.307 1.911 50 0 EDAARM CC[C@@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1CC(=O)[O-] ZINC000009218725 441103169 /nfs/dbraw/zinc/10/31/69/441103169.db2.gz VMVIYAPFXDVDHN-SNVBAGLBSA-N -1 0 349.412 1.488 50 0 EDAARM CCn1cc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3)cn1 ZINC000057279927 441104630 /nfs/dbraw/zinc/10/46/30/441104630.db2.gz WYIOBQOKVFXRNU-UHFFFAOYSA-N -1 0 334.401 1.934 50 0 EDAARM Cc1cc2[nH]c(=O)[nH]c2cc1S(=O)(=O)Nc1cccc(C(=O)[O-])c1 ZINC000011635318 441122764 /nfs/dbraw/zinc/12/27/64/441122764.db2.gz WOPLZRYVWPXFQO-UHFFFAOYSA-N -1 0 347.352 1.664 50 0 EDAARM COCCOc1cc(NC(=O)c2c(C)[n-]n(C)c2=O)ccc1OC ZINC000101901766 441163809 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ZINC000299748508 301765333 /nfs/dbraw/zinc/76/53/33/301765333.db2.gz HGWGOKUGULCKLT-JYJNAYRXSA-N -1 0 333.384 1.775 50 0 EDAARM CN(C[C@H]1CCCOC1)S(=O)(=O)c1ccc(OCC(=O)[O-])cc1 ZINC000320585899 303764958 /nfs/dbraw/zinc/76/49/58/303764958.db2.gz PFBZXTAXUMEVOE-GFCCVEGCSA-N -1 0 343.401 1.197 50 0 EDAARM COc1ccc(OC)c(NC(=O)[C@@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000000236788 440809277 /nfs/dbraw/zinc/80/92/77/440809277.db2.gz PEFJSHQZELBDGG-CQSZACIVSA-N -1 0 348.355 1.868 50 0 EDAARM COc1cc([C@@H]2N[C@@H](C(=O)[O-])CS2)cc(Br)c1O ZINC000000070059 440795221 /nfs/dbraw/zinc/79/52/21/440795221.db2.gz RUKNBZPNGQHSJO-GMSGAONNSA-N -1 0 334.191 1.952 50 0 EDAARM O=C([O-])CCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)CC(=O)N2 ZINC000000095714 440799218 /nfs/dbraw/zinc/79/92/18/440799218.db2.gz RMODALJYNPJOEK-JTQLQIEISA-N -1 0 329.316 1.013 50 0 EDAARM O=C([O-])Cc1ccc(NC(=O)CN2C(=O)c3ccccc3C2=O)cc1 ZINC000001064382 440838183 /nfs/dbraw/zinc/83/81/83/440838183.db2.gz HPZIOIHRHXHAJE-UHFFFAOYSA-N -1 0 338.319 1.548 50 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/nfs/dbraw/zinc/13/42/05/441134205.db2.gz LHWUEWUYTCXHHH-YPMHNXCESA-N -1 0 327.402 1.193 50 0 EDAARM O=C(Cn1nc(-c2ccccc2)oc1=O)[N-]OCc1ccccc1 ZINC000058368439 441186255 /nfs/dbraw/zinc/18/62/55/441186255.db2.gz CPJDUZNBLYKPLA-UHFFFAOYSA-N -1 0 325.324 1.751 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1ccc(Cl)c(C(N)=O)c1 ZINC000013019967 441152143 /nfs/dbraw/zinc/15/21/43/441152143.db2.gz LFAWLPGFDAZSLV-UHFFFAOYSA-N -1 0 329.765 1.845 50 0 EDAARM COc1cc(NC(=O)c2ncccc2[O-])ccc1NS(C)(=O)=O ZINC000058228937 441163214 /nfs/dbraw/zinc/16/32/14/441163214.db2.gz BUPXXPFSHBDBPV-UHFFFAOYSA-N -1 0 337.357 1.420 50 0 EDAARM NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3ccnc3)nc2)cc1 ZINC000072275930 441216406 /nfs/dbraw/zinc/21/64/06/441216406.db2.gz VLWCENXUXBLCHI-UHFFFAOYSA-N -1 0 343.368 1.167 50 0 EDAARM COc1ccc(C(N)=O)cc1[N-]S(=O)(=O)c1cc(F)ccc1F ZINC000048355272 441298089 /nfs/dbraw/zinc/29/80/89/441298089.db2.gz QXVHSOGZALGOPJ-UHFFFAOYSA-N -1 0 342.323 1.873 50 0 EDAARM CN(C)S(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccncc2)c1 ZINC000062639963 441307007 /nfs/dbraw/zinc/30/70/07/441307007.db2.gz JCJMZXNOPZBBLL-UHFFFAOYSA-N -1 0 341.414 1.133 50 0 EDAARM CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3cccn4ncnc34)ccc21 ZINC000065284063 441414122 /nfs/dbraw/zinc/41/41/22/441414122.db2.gz AUCLVLZSJSXOFZ-UHFFFAOYSA-N -1 0 343.368 1.049 50 0 EDAARM CC[C@H]1CCc2nc([N-]S(=O)(=O)c3cnn(C)c3)sc2C1 ZINC000066253088 441516543 /nfs/dbraw/zinc/51/65/43/441516543.db2.gz YXSMQPWJTCWGQN-VIFPVBQESA-N -1 0 326.447 2.192 50 0 EDAARM Cc1ccccc1S([O-])=CC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000089696833 441571551 /nfs/dbraw/zinc/57/15/51/441571551.db2.gz KLYYMWWAXLXUCI-LFVRLGFBSA-N -1 0 336.457 1.620 50 0 EDAARM CCOC(=O)[C@@H]1CCCN(C(=O)CN(CC(=O)[O-])c2ccccc2)C1 ZINC000034926600 441601707 /nfs/dbraw/zinc/60/17/07/441601707.db2.gz MYMXXLQIEWFGRX-CQSZACIVSA-N -1 0 348.399 1.379 50 0 EDAARM CCCn1cnc(S(=O)(=O)[N-]c2cccnc2-n2cccn2)c1 ZINC000089960742 441605562 /nfs/dbraw/zinc/60/55/62/441605562.db2.gz IDFMZXVNAJGGKM-UHFFFAOYSA-N -1 0 332.389 1.675 50 0 EDAARM CNC(=O)c1cccnc1N1C[C@@H](c2ccncc2)[C@H](C(=O)[O-])C1 ZINC000091326795 441695418 /nfs/dbraw/zinc/69/54/18/441695418.db2.gz ZUMQLCPFSDWTLT-UONOGXRCSA-N -1 0 326.356 1.141 50 0 EDAARM COc1cccc([C@@H]2CN(C(=O)CCn3cncn3)C[C@H]2C(=O)[O-])c1 ZINC000091872892 441748594 /nfs/dbraw/zinc/74/85/94/441748594.db2.gz RCAGNXRTFOUVDP-LSDHHAIUSA-N -1 0 344.371 1.004 50 0 EDAARM Cc1ccc(S(=O)(=O)[N-]C(=O)c2ccc3c(c2)OCO3)s1 ZINC000042317678 441723748 /nfs/dbraw/zinc/72/37/48/441723748.db2.gz KOCJQHDDJOEFHQ-UHFFFAOYSA-N -1 0 325.367 1.904 50 0 EDAARM O=C([O-])c1cccc([C@H]2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)c1 ZINC000095366421 441913816 /nfs/dbraw/zinc/91/38/16/441913816.db2.gz UKDOWTYJDKJXNL-LBPRGKRZSA-N -1 0 343.339 1.194 50 0 EDAARM Cn1c(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])nc2ccccc21 ZINC000095374880 441915739 /nfs/dbraw/zinc/91/57/39/441915739.db2.gz VGDYEDPQFKXSOK-GFCCVEGCSA-N -1 0 342.399 1.129 50 0 EDAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CCN3CCOCC3)C2)cc1 ZINC000095386276 441916738 /nfs/dbraw/zinc/91/67/38/441916738.db2.gz HZKQLTIIOYKEAT-KRWDZBQOSA-N -1 0 346.427 1.813 50 0 EDAARM O=C([O-])c1ccc([C@H]2CCCN(C(=O)CN3CCOCC3)C2)cc1 ZINC000095390896 441918185 /nfs/dbraw/zinc/91/81/85/441918185.db2.gz GHSUOVVSCZRRSY-INIZCTEOSA-N -1 0 332.400 1.423 50 0 EDAARM O=C([O-])[C@H]1CC(=O)NC12CCN(C(=O)NCc1cccs1)CC2 ZINC000095389579 441919319 /nfs/dbraw/zinc/91/93/19/441919319.db2.gz UMJMZSZJJQWJFP-LLVKDONJSA-N -1 0 337.401 1.013 50 0 EDAARM CC(C)n1cc(S(=O)(=O)[N-]c2ncn(-c3ccccc3)n2)cn1 ZINC000096007305 441978923 /nfs/dbraw/zinc/97/89/23/441978923.db2.gz BMOWGVOEMCASGU-UHFFFAOYSA-N -1 0 332.389 1.846 50 0 EDAARM COC(=O)C[C@H](c1cnn(C)c1C)c1c([O-])nc2ccccn2c1=O ZINC000096117065 442037469 /nfs/dbraw/zinc/03/74/69/442037469.db2.gz WQPKCUIQTMHKIF-LLVKDONJSA-N -1 0 342.355 1.137 50 0 EDAARM CC1CCN(CC(=O)[N-]S(=O)(=O)CCCC(F)(F)F)CC1 ZINC000126131129 442081818 /nfs/dbraw/zinc/08/18/18/442081818.db2.gz WRICVFXAEJZNQJ-UHFFFAOYSA-N -1 0 330.372 1.507 50 0 EDAARM Cc1cnn(CCCNC(=O)c2nn(-c3ccccc3)cc2[O-])c1 ZINC000096436272 442130381 /nfs/dbraw/zinc/13/03/81/442130381.db2.gz MYTUTTMKGYCEBX-UHFFFAOYSA-N -1 0 325.372 1.903 50 0 EDAARM O=C(Nc1nnn[n-]1)c1ncc(Br)cc1Br ZINC000097376391 442192147 /nfs/dbraw/zinc/19/21/47/442192147.db2.gz XABUEJQFETYISY-UHFFFAOYSA-N -1 0 347.958 1.372 50 0 EDAARM Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1nn2c([n-]1)nc(C)cc2=O ZINC000170091298 442229234 /nfs/dbraw/zinc/22/92/34/442229234.db2.gz WZDUCPBSCQUKAN-QWRGUYRKSA-N -1 0 343.412 1.928 50 0 EDAARM C[C@H]1CCc2c(C(=O)N3CCNC(=O)[C@H]3CC(=O)[O-])csc2C1 ZINC000170596785 442233970 /nfs/dbraw/zinc/23/39/70/442233970.db2.gz VQPLKWPZOISPOB-JOYOIKCWSA-N -1 0 336.413 1.288 50 0 EDAARM COC(=O)[C@H](C)S(=O)(=O)[N-]C(=O)c1oc2c(cccc2C)c1C ZINC000170619541 442237731 /nfs/dbraw/zinc/23/77/31/442237731.db2.gz RTTVBEPWLGIUET-JTQLQIEISA-N -1 0 339.369 1.671 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]C(=O)[C@@H]2OCCc3ccccc32)nc1C ZINC000180185961 442555630 /nfs/dbraw/zinc/55/56/30/442555630.db2.gz HBJICEIADYITPM-OAHLLOKOSA-N -1 0 349.412 1.330 50 0 EDAARM CC[C@@H]1C(=O)N2CC[C@@H]3C[C@H](OC)[C@@H](OC)C[C@@H]3[C@@H]2C[C@@H]1C(=O)[O-] ZINC000247664201 442864597 /nfs/dbraw/zinc/86/45/97/442864597.db2.gz VFCPLZFIKCOYQN-INBFJEQOSA-N -1 0 339.432 1.774 50 0 EDAARM O=C([O-])c1cc(NC(=O)CN2CCC(CO)CC2)ccc1Cl ZINC000252484899 443028652 /nfs/dbraw/zinc/02/86/52/443028652.db2.gz GKDRMARJRRSXFI-UHFFFAOYSA-N -1 0 326.780 1.681 50 0 EDAARM COc1ccc2c(c1)C(=NN=C1NC(=O)[C@H](CC(=O)[O-])S1)CCC2 ZINC000252597766 443044308 /nfs/dbraw/zinc/04/43/08/443044308.db2.gz CVGDZKOCQVCCEZ-ZDUSSCGKSA-N -1 0 347.396 1.798 50 0 EDAARM Cc1ccccc1C[C@@H](CNC(=O)COCC(F)(F)F)C(=O)[O-] ZINC000253429535 443068758 /nfs/dbraw/zinc/06/87/58/443068758.db2.gz HODBQQPILNYLLC-LBPRGKRZSA-N -1 0 333.306 1.933 50 0 EDAARM CCC[C@@H](NC(=O)/C=C\c1cc(OC)c2c(c1)OCCO2)C(=O)[O-] ZINC000222173565 443075201 /nfs/dbraw/zinc/07/52/01/443075201.db2.gz COUJCYHUVZGCAS-FOQNGQEVSA-N -1 0 335.356 1.849 50 0 EDAARM CC(=O)N[C@@H](C(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)C1CCCC1 ZINC000268926704 443148331 /nfs/dbraw/zinc/14/83/31/443148331.db2.gz FVOXWAPFAZTKQG-OAHLLOKOSA-N -1 0 336.388 1.940 50 0 EDAARM Cc1cc(C(=O)[O-])c(F)c(S(=O)(=O)NCc2ccnn2C)c1 ZINC000184927545 443100201 /nfs/dbraw/zinc/10/02/01/443100201.db2.gz FWZCRNOCKNCLFQ-UHFFFAOYSA-N -1 0 327.337 1.044 50 0 EDAARM CSCc1nc2ccccc2n1CC(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000237392369 443170959 /nfs/dbraw/zinc/17/09/59/443170959.db2.gz HVUFDUSRWMNVSW-LLVKDONJSA-N -1 0 333.413 1.832 50 0 EDAARM C[C@H](CN(C(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C1CC1)C(=O)[O-] ZINC000237615406 443177300 /nfs/dbraw/zinc/17/73/00/443177300.db2.gz LLWFWSHLTAPYAC-RKDXNWHRSA-N -1 0 336.310 1.109 50 0 EDAARM C[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(=O)n(Cc3ccccc3)n2)C1 ZINC000237656614 443178595 /nfs/dbraw/zinc/17/85/95/443178595.db2.gz SCWNLJMPYNRNKV-GOSISDBHSA-N -1 0 341.367 1.228 50 0 EDAARM O=C([O-])c1ccc(/C=C/C(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000237950041 443189989 /nfs/dbraw/zinc/18/99/89/443189989.db2.gz LRXJCHDAWIXENE-QPJJXVBHSA-N -1 0 338.367 1.537 50 0 EDAARM O=C([O-])CC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)C1 ZINC000237964847 443190212 /nfs/dbraw/zinc/19/02/12/443190212.db2.gz LZJRYXAZIGRQDQ-UONOGXRCSA-N -1 0 336.432 1.881 50 0 EDAARM O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(=O)n(-c2ccc(F)cc2)n1 ZINC000262743145 443209908 /nfs/dbraw/zinc/20/99/08/443209908.db2.gz JDDYOLNWQZZEQL-ZDUSSCGKSA-N -1 0 331.303 1.061 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CCO1 ZINC000262903858 443216429 /nfs/dbraw/zinc/21/64/29/443216429.db2.gz BWHFPMJGRHEDHQ-ZDUSSCGKSA-N -1 0 335.747 1.656 50 0 EDAARM O=C([O-])Cc1ccc(S(=O)(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1 ZINC000387225712 319131260 /nfs/dbraw/zinc/13/12/60/319131260.db2.gz NUEKNLFRFWPXDP-UONOGXRCSA-N -1 0 325.386 1.256 50 0 EDAARM O=C([O-])c1ccc(CNC(=O)[C@H]2CC(=O)N(Cc3ccccn3)C2)o1 ZINC000299742738 444130506 /nfs/dbraw/zinc/13/05/06/444130506.db2.gz ITUPZQAWPMXWIJ-NSHDSACASA-N -1 0 343.339 1.038 50 0 EDAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000299746147 444133136 /nfs/dbraw/zinc/13/31/36/444133136.db2.gz VRMNGRHSFMTUJQ-INIZCTEOSA-N -1 0 342.399 1.097 50 0 EDAARM CC(C)(NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1)C(=O)[O-] ZINC000299752074 444135040 /nfs/dbraw/zinc/13/50/40/444135040.db2.gz SQTPADCIJGXRIW-UHFFFAOYSA-N -1 0 325.752 1.463 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(Nc2cnccn2)c1 ZINC000299753828 444135571 /nfs/dbraw/zinc/13/55/71/444135571.db2.gz ZMMHARITVJZDFE-ZDUSSCGKSA-N -1 0 328.328 1.146 50 0 EDAARM CNS(=O)(=O)c1cc(NC(=O)[C@@H]2CCO[C@@H]2C(C)C)ccc1[O-] ZINC000330764387 445131542 /nfs/dbraw/zinc/13/15/42/445131542.db2.gz JCJPSXPLROJVTH-BXUZGUMPSA-N -1 0 342.417 1.300 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)c2csc(CCc3ccccc3)n2)CCO1 ZINC000362573403 445446875 /nfs/dbraw/zinc/44/68/75/445446875.db2.gz RYNCJPVWPSGIKW-AWEZNQCLSA-N -1 0 346.408 1.854 50 0 EDAARM Cc1cccc(C)c1OC1CN(C(=O)NC2(C(=O)[O-])CCOCC2)C1 ZINC000584899314 448670989 /nfs/dbraw/zinc/67/09/89/448670989.db2.gz WSZXOBAGGCEFRF-UHFFFAOYSA-N -1 0 348.399 1.710 50 0 EDAARM O=C([O-])COc1ccc(C(=O)N2CCC(O)(C(F)(F)F)CC2)cc1 ZINC000621538718 450762453 /nfs/dbraw/zinc/76/24/53/450762453.db2.gz XMDCQKMIYBCZKT-UHFFFAOYSA-N -1 0 347.289 1.679 50 0 EDAARM Cc1nc(-c2ccccn2)nc(N[C@@H]2C[C@H](C(=O)[O-])C[C@@H]2O)c1C ZINC000662894557 453590981 /nfs/dbraw/zinc/59/09/81/453590981.db2.gz AGEXPFCLPJZTFW-YUTCNCBUSA-N -1 0 328.372 1.791 50 0 EDAARM O=C([O-])CN1CC[C@@H](N2c3cccc4cccc(c34)S2(=O)=O)C1=O ZINC000663218481 453730161 /nfs/dbraw/zinc/73/01/61/453730161.db2.gz FGMSMYCOVNNPLO-GFCCVEGCSA-N -1 0 346.364 1.034 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)c2cc(N3CCNC3=O)ccc2Cl)C1 ZINC000269186844 526327215 /nfs/dbraw/zinc/32/72/15/526327215.db2.gz MYFOPDQXORLGEJ-VIFPVBQESA-N -1 0 337.763 1.416 50 0 EDAARM O=C([O-])COc1ccc(CCNC(=O)[C@H]2COc3ccccc32)cc1 ZINC000269039213 527617061 /nfs/dbraw/zinc/61/70/61/527617061.db2.gz PUNGNLAMXBFYKU-INIZCTEOSA-N -1 0 341.363 1.985 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cccc(OC[C@H]3CCCO3)c2)CCO1 ZINC000269046266 527631729 /nfs/dbraw/zinc/63/17/29/527631729.db2.gz SIURTRRYYXTWDU-HZPDHXFCSA-N -1 0 349.383 1.560 50 0 EDAARM COc1ccc([C@H](CC(=O)[O-])CC(=O)NCC(=O)NC(C)C)cc1 ZINC000226750554 536911251 /nfs/dbraw/zinc/91/12/51/536911251.db2.gz HJRLFJJKRMQWQL-ZDUSSCGKSA-N -1 0 336.388 1.284 50 0 EDAARM Cc1cccc2cc(C(=O)N3CCOC[C@H]3c3nnn[n-]3)sc21 ZINC000863981969 596739831 /nfs/dbraw/zinc/73/98/31/596739831.db2.gz OLHGXHCKHQUKNL-NSHDSACASA-N -1 0 329.385 1.937 50 0 EDAARM CCn1nc(C)c(CCNC(=O)c2cccc(NCC(=O)[O-])c2)c1C ZINC000055098803 214272264 /nfs/dbraw/zinc/27/22/64/214272264.db2.gz MEGVYOGUYGYRET-UHFFFAOYSA-N -1 0 344.415 1.989 50 0 EDAARM COC(=O)c1sc(NC(=O)[C@H]2[C@H]3CC[C@H](O3)[C@@H]2C(=O)[O-])nc1C ZINC000004646635 210237120 /nfs/dbraw/zinc/23/71/20/210237120.db2.gz XBBHGEXXTLHTJJ-XGEHTFHBSA-N -1 0 340.357 1.055 50 0 EDAARM O=C([O-])c1ccc(F)c(S(=O)(=O)NCCOc2ccccc2)c1 ZINC000004615069 210232534 /nfs/dbraw/zinc/23/25/34/210232534.db2.gz ONPYMUGTEVYAQO-UHFFFAOYSA-N -1 0 339.344 1.881 50 0 EDAARM COC(=O)c1c(S(=O)(=O)[N-]c2ccc(OC)cc2)cnn1C ZINC000049408756 214005735 /nfs/dbraw/zinc/00/57/35/214005735.db2.gz GIPLSRQTPLPRBY-UHFFFAOYSA-N -1 0 325.346 1.016 50 0 EDAARM CO[C@@H]1CCC[C@H]1OC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O ZINC000102759632 219228330 /nfs/dbraw/zinc/22/83/30/219228330.db2.gz RGGMYSQMHXLFKM-CHWSQXEVSA-N -1 0 334.397 1.947 50 0 EDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)c2cccc3c2CCC3)[C@@H](n2ccnn2)C1 ZINC000685940369 539577995 /nfs/dbraw/zinc/57/79/95/539577995.db2.gz HIPROGLNCDBIHX-MAZHCROVSA-N -1 0 340.383 1.601 50 0 EDAARM CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)c3ccc(F)cc3)[C@H]2SC1 ZINC000002786001 209913259 /nfs/dbraw/zinc/91/32/59/209913259.db2.gz KQCIIQCDGIMQQQ-QMTHXVAHSA-N -1 0 336.344 1.198 50 0 EDAARM O=C([O-])c1ccc2c(c1)[nH]c(=O)n(Cc1ccc3c(c1)OCO3)c2=O ZINC000040478859 213314461 /nfs/dbraw/zinc/31/44/61/213314461.db2.gz YDFWNWWYTYVKQJ-UHFFFAOYSA-N -1 0 340.291 1.165 50 0 EDAARM COC(=O)c1ccc(C(=O)Nc2cnn(CCCC(=O)[O-])c2)cc1 ZINC000001424799 209745028 /nfs/dbraw/zinc/74/50/28/209745028.db2.gz CTJDBHPIIHONQI-UHFFFAOYSA-N -1 0 331.328 1.787 50 0 EDAARM CCOC(=O)CSc1nc2sc(C(=O)[O-])c(C)c2c(N)n1 ZINC000035682012 213046173 /nfs/dbraw/zinc/04/61/73/213046173.db2.gz WCCIGGVNXHQXGX-UHFFFAOYSA-N -1 0 327.387 1.935 50 0 EDAARM CC1(C)[C@H](C(=O)[O-])[C@@H]1C(=O)Nc1ccccc1CC(=O)NC1CC1 ZINC000071285041 215753915 /nfs/dbraw/zinc/75/39/15/215753915.db2.gz NKVJBJBDYAVHLR-CABCVRRESA-N -1 0 330.384 1.803 50 0 EDAARM O=C(c1n[nH]c(=O)[n-]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 ZINC000071819825 215848497 /nfs/dbraw/zinc/84/84/97/215848497.db2.gz MRTPQJAMOWJWAT-NSHDSACASA-N -1 0 330.344 1.649 50 0 EDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)CCn3ccc(C)n3)CC2)c1 ZINC000072420503 216209053 /nfs/dbraw/zinc/20/90/53/216209053.db2.gz LODJIJBWNMXJPC-UHFFFAOYSA-N -1 0 345.403 1.189 50 0 EDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)CCc3cccnc3)CC2)c1 ZINC000072430290 216222341 /nfs/dbraw/zinc/22/23/41/216222341.db2.gz HRQZAVBVVHWOSE-UHFFFAOYSA-N -1 0 342.399 1.622 50 0 EDAARM Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CCOC[C@@H]1CC(=O)[O-] ZINC000072431555 216225807 /nfs/dbraw/zinc/22/58/07/216225807.db2.gz STAANRRVTWOZDT-ZDUSSCGKSA-N -1 0 329.356 1.701 50 0 EDAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(S(=O)(=O)C2CC2)CC1 ZINC000072463549 216245432 /nfs/dbraw/zinc/24/54/32/216245432.db2.gz QPAXFIUIVPPURI-UHFFFAOYSA-N -1 0 343.376 1.616 50 0 EDAARM O=C(CCc1cc(=O)[n-]o1)N1CCCN(Cc2cccnc2)CC1 ZINC000072462905 216245695 /nfs/dbraw/zinc/24/56/95/216245695.db2.gz GLWMAHLNKRONML-UHFFFAOYSA-N -1 0 330.388 1.442 50 0 EDAARM COCc1nc(CNc2nccc(-c3cc(C(=O)[O-])ccn3)n2)no1 ZINC000072463162 216245806 /nfs/dbraw/zinc/24/58/06/216245806.db2.gz QMIBAOLIQXDTKH-UHFFFAOYSA-N -1 0 342.315 1.378 50 0 EDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCNC(=O)C[C@@H]2c2ccccc2)C1 ZINC000263361030 304126861 /nfs/dbraw/zinc/12/68/61/304126861.db2.gz YIZDVTBZSYKAQD-RRFJBIMHSA-N -1 0 330.384 1.577 50 0 EDAARM CCN(C)S(=O)(=O)N1CCC[C@@H](c2cccc(C(=O)[O-])c2)C1 ZINC000217189366 241240179 /nfs/dbraw/zinc/24/01/79/241240179.db2.gz JLFXVVDOBFWBBF-CQSZACIVSA-N -1 0 326.418 1.761 50 0 EDAARM CSCC[C@@H](CO)[N-]S(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000225752948 242018173 /nfs/dbraw/zinc/01/81/73/242018173.db2.gz FETMGFIVYNEHPP-LURJTMIESA-N -1 0 347.355 1.635 50 0 EDAARM C[C@]1(C(=O)[O-])CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000237640893 242732324 /nfs/dbraw/zinc/73/23/24/242732324.db2.gz OIHLYNDXWCQSNM-KRWDZBQOSA-N -1 0 343.387 1.444 50 0 EDAARM Cc1c(C)c2c(c(C)c1O)CC[C@](C)(C(=O)NCCc1nnn[n-]1)O2 ZINC000244691976 243060800 /nfs/dbraw/zinc/06/08/00/243060800.db2.gz JMGHORKDXUNLEH-QGZVFWFLSA-N -1 0 345.403 1.273 50 0 EDAARM O=C(NCCc1nnn[n-]1)[C@@H](c1ccc(F)cc1)N1CCCCC1 ZINC000244778700 243077997 /nfs/dbraw/zinc/07/79/97/243077997.db2.gz PUZQPUAKIWBJJE-OAHLLOKOSA-N -1 0 332.383 1.225 50 0 EDAARM CCC[C@H]([NH2+][C@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21)C(=O)[O-] ZINC000248255651 243553775 /nfs/dbraw/zinc/55/37/75/243553775.db2.gz ODAIHABQVKJNIY-DGTMBMJNSA-N -1 0 340.420 1.462 50 0 EDAARM C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC000237452241 139051724 /nfs/dbraw/zinc/05/17/24/139051724.db2.gz NQTDJKCWXCCVJE-PWSUYJOCSA-N -1 0 338.791 1.782 50 0 EDAARM O=C([O-])[C@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000263192046 304180592 /nfs/dbraw/zinc/18/05/92/304180592.db2.gz MQLZPFOHFHRUQH-MRVPVSSYSA-N -1 0 345.764 1.504 50 0 EDAARM CS(=O)(=O)c1ccc(C(=O)NCCc2ccc(C(=O)[O-])cc2)cc1 ZINC000013442371 211556975 /nfs/dbraw/zinc/55/69/75/211556975.db2.gz OQHXQALULDDAKD-UHFFFAOYSA-N -1 0 347.392 1.761 50 0 EDAARM C[C@@H]1C(=O)C[C@@H](c2ccco2)N2C(=O)[C@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@]3(O4)[C@@H]12 ZINC000003881787 296254697 /nfs/dbraw/zinc/25/46/97/296254697.db2.gz RQULTYIEQUNDLH-ZQHYZJQFSA-N -1 0 343.335 1.165 50 0 EDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)OCc1ccc(C(N)=O)cc1 ZINC000012508286 211395208 /nfs/dbraw/zinc/39/52/08/211395208.db2.gz SWTXJDZDYPJQBH-UHFFFAOYSA-N -1 0 348.380 1.514 50 0 EDAARM COc1ccccc1[C@@H]1CN(C(=O)C2CCOCC2)C[C@H]1C(=O)[O-] ZINC000091441292 218005951 /nfs/dbraw/zinc/00/59/51/218005951.db2.gz JPNQELZOTOGYFW-LSDHHAIUSA-N -1 0 333.384 1.748 50 0 EDAARM CC(=O)N1CC2(C[C@H]1C(=O)[O-])CCN(Cc1noc(C3CC3)n1)CC2 ZINC000092066844 218114813 /nfs/dbraw/zinc/11/48/13/218114813.db2.gz MAOBHLKVDIUFFB-ZDUSSCGKSA-N -1 0 348.403 1.235 50 0 EDAARM O=C([O-])[C@]12CN(C(=O)NC3CCCC3)C[C@H]1CN(c1ccccn1)C2 ZINC000091892978 304215578 /nfs/dbraw/zinc/21/55/78/304215578.db2.gz ILKAWNBLAQRWHD-FZKQIMNGSA-N -1 0 344.415 1.557 50 0 EDAARM COc1ccc(-c2cc(-c3nnc(SCC(=O)[O-])n3N)n[nH]2)cc1 ZINC000009089378 211039425 /nfs/dbraw/zinc/03/94/25/211039425.db2.gz MDMCGTPPTJRGCZ-UHFFFAOYSA-N -1 0 346.372 1.234 50 0 EDAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)Cn3ccccc3=O)C2)cc1 ZINC000095357873 218291886 /nfs/dbraw/zinc/29/18/86/218291886.db2.gz BJBRTVPABHHNFD-MRXNPFEDSA-N -1 0 340.379 1.953 50 0 EDAARM O=C([O-])CCCCCNC(=O)c1ccc(=O)n(-c2ccccc2)n1 ZINC000095389834 218321778 /nfs/dbraw/zinc/32/17/78/218321778.db2.gz WNKBZVJRWYOHCJ-UHFFFAOYSA-N -1 0 329.356 1.607 50 0 EDAARM O=C([O-])c1ccc(C(=O)N2CCC(CN3CCCCC3=O)CC2)cn1 ZINC000262822084 139306096 /nfs/dbraw/zinc/30/60/96/139306096.db2.gz WAZWLBWXQIXPCX-UHFFFAOYSA-N -1 0 345.399 1.645 50 0 EDAARM COCCN1[C@H](C)CN(C(=O)c2cc(F)c(F)c([O-])c2F)C[C@@H]1C ZINC000097374939 219018348 /nfs/dbraw/zinc/01/83/48/219018348.db2.gz CNULTUJYLYWLJB-AOOOYVTPSA-N -1 0 346.349 1.991 50 0 EDAARM C[C@]1(C(=O)Nc2cc(C(=O)[O-])cc(S(C)(=O)=O)c2)CCCOC1 ZINC000263545044 139347248 /nfs/dbraw/zinc/34/72/48/139347248.db2.gz SVXCGGGDZJZCTM-HNNXBMFYSA-N -1 0 341.385 1.544 50 0 EDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)Cn1nnc2ccccc21 ZINC000299741360 258009280 /nfs/dbraw/zinc/00/92/80/258009280.db2.gz FHGVRJMFYXGKQS-LNSITVRQSA-N -1 0 328.372 1.676 50 0 EDAARM COCCN1C(=O)C[C@](CC(=O)[O-])(c2ccccc2Cl)C1=O ZINC000299759321 258076443 /nfs/dbraw/zinc/07/64/43/258076443.db2.gz QMQDFQCLQCHVNI-HNNXBMFYSA-N -1 0 325.748 1.458 50 0 EDAARM CC[C@@](C)(CC(=O)[O-])NC(=O)Cn1cc(Br)ccc1=O ZINC000095424863 287384954 /nfs/dbraw/zinc/38/49/54/287384954.db2.gz ZXWZAKDRZZXJFK-ZDUSSCGKSA-N -1 0 345.193 1.370 50 0 EDAARM C[C@@H](CN(C)C(=O)[C@H](C)Oc1ccc(F)c(F)c1)c1nnn[n-]1 ZINC000124107395 222377237 /nfs/dbraw/zinc/37/72/37/222377237.db2.gz OVOGXBOTZOPIRQ-IUCAKERBSA-N -1 0 325.319 1.507 50 0 EDAARM CC(C)(C)[C@@H](NS(C)(=O)=O)C(=O)N1CCC[C@H](CCC(=O)[O-])C1 ZINC000262863132 278494430 /nfs/dbraw/zinc/49/44/30/278494430.db2.gz DNVVKHCPTCDZBD-YPMHNXCESA-N -1 0 348.465 1.054 50 0 EDAARM COc1ccc(F)c([C@@H](C(=O)[O-])N2CCN(c3ncccn3)CC2)c1 ZINC000095373968 295148697 /nfs/dbraw/zinc/14/86/97/295148697.db2.gz NUGGFKZGYJDINJ-HNNXBMFYSA-N -1 0 346.362 1.572 50 0 EDAARM COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c(C)c1F ZINC000262433162 295187982 /nfs/dbraw/zinc/18/79/82/295187982.db2.gz OPHRJBAZHOEFHO-SNVBAGLBSA-N -1 0 331.365 1.771 50 0 EDAARM Cn1ccnc1C(=O)c1cccc(NC(=O)[C@@H]2[C@H](C(=O)[O-])C2(C)C)c1 ZINC000071287474 302987277 /nfs/dbraw/zinc/98/72/77/302987277.db2.gz RKOUCSADBRNTOC-QWHCGFSZSA-N -1 0 341.367 1.946 50 0 EDAARM O=C([O-])CS(=O)(=O)CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000001396986 440843596 /nfs/dbraw/zinc/84/35/96/440843596.db2.gz HIPGYWDMHRVXQB-UHFFFAOYSA-N -1 0 325.264 1.143 50 0 EDAARM COc1ccc2c(C)c(CCC(=O)NCCC(=O)[O-])c(=O)oc2c1 ZINC000002103800 440855045 /nfs/dbraw/zinc/85/50/45/440855045.db2.gz MKRPZTCLKSRKFT-UHFFFAOYSA-N -1 0 333.340 1.634 50 0 EDAARM Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)NCC(=O)[O-])cc1 ZINC000002826897 440879181 /nfs/dbraw/zinc/87/91/81/440879181.db2.gz IFOFVPCCWOMHPK-WJDWOHSUSA-N -1 0 338.363 1.967 50 0 EDAARM O=C([O-])CNS(=O)(=O)c1ccc(Br)cc1Cl ZINC000003289744 440895444 /nfs/dbraw/zinc/89/54/44/440895444.db2.gz KLOLJDKVVISHRN-UHFFFAOYSA-N -1 0 328.571 1.465 50 0 EDAARM CC(NC[C@@H]1CCCO1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000005816531 440969700 /nfs/dbraw/zinc/96/97/00/440969700.db2.gz VEDPHCVXJAYFNP-UROBUVALSA-N -1 0 335.404 1.440 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2ccccc2F)cc1S(N)(=O)=O ZINC000008110963 441082921 /nfs/dbraw/zinc/08/29/21/441082921.db2.gz VJFKITBBPPZMLF-UHFFFAOYSA-N -1 0 344.389 1.582 50 0 EDAARM CCOC(=O)N1CCN2c3ccc([N+](=O)[O-])cc3C[C@H](C(=O)[O-])[C@H]2C1 ZINC000012324170 441130166 /nfs/dbraw/zinc/13/01/66/441130166.db2.gz SGABTFCGSMKTJY-GXTWGEPZSA-N -1 0 349.343 1.499 50 0 EDAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071283319 441144117 /nfs/dbraw/zinc/14/41/17/441144117.db2.gz VAUSJLINPGNTHL-RYUDHWBXSA-N -1 0 349.339 1.555 50 0 EDAARM C[C@H](C[N-]S(=O)(=O)c1c(F)cccc1F)CN1CCCC1=O ZINC000057986469 441146623 /nfs/dbraw/zinc/14/66/23/441146623.db2.gz AWIHNOACKNLDEN-SNVBAGLBSA-N -1 0 332.372 1.502 50 0 EDAARM CCc1cccc(C)c1N(C(=O)CS(=O)(=O)[O-])[C@@H](C)COC ZINC000013827768 441167515 /nfs/dbraw/zinc/16/75/15/441167515.db2.gz CIGKZVUEZXGYSV-LBPRGKRZSA-N -1 0 329.418 1.813 50 0 in-vitro EDAARM O=C(c1ccc2[nH]ccc2c1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990535 441174333 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CC(C)[S@@](=O)c1ccc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1 ZINC000299751527 258007286 /nfs/dbraw/zinc/00/72/86/258007286.db2.gz QUVISWJKBDMXKN-WHEQGISXSA-N -1 0 325.386 1.128 50 0 EDAARM CCOc1cc(C(=O)NCC[C@@H]2CCCO2)ccc1OCC(=O)[O-] ZINC000299752395 258007344 /nfs/dbraw/zinc/00/73/44/258007344.db2.gz TZJDNGKBSMPUHP-ZDUSSCGKSA-N -1 0 337.372 1.848 50 0 EDAARM CN(C(=O)c1ccc(C(=O)[O-])nc1)[C@H]1CCN(c2ccccc2)C1=O ZINC000299748727 258007686 /nfs/dbraw/zinc/00/76/86/258007686.db2.gz HZGRISCEWOWWOM-HNNXBMFYSA-N -1 0 339.351 1.657 50 0 EDAARM Cc1c(C(=O)N[C@H](C)c2nc(C(C)C)no2)cnc2cc(=O)[n-]n21 ZINC000299781814 258090029 /nfs/dbraw/zinc/09/00/29/258090029.db2.gz LVTRJVISEKHADY-MRVPVSSYSA-N -1 0 330.348 1.328 50 0 EDAARM Cc1ncsc1CCC(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1 ZINC000299787081 258093833 /nfs/dbraw/zinc/09/38/33/258093833.db2.gz PFNFCELFICYEKU-WDEREUQCSA-N -1 0 349.416 1.219 50 0 EDAARM Cc1c(CC(=O)N2CCCC[C@H]2C(=O)[O-])nnn1-c1ccc(C)cc1 ZINC000360833757 152223311 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O=C([O-])Cn1nccc1[C@H]1CCCN(Cc2nc(C(=O)[O-])co2)C1 ZINC000426408937 447437621 /nfs/dbraw/zinc/43/76/21/447437621.db2.gz LBHLFKBTOGBOFC-JTQLQIEISA-N -1 0 334.332 1.034 50 0 EDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000012604873 441137300 /nfs/dbraw/zinc/13/73/00/441137300.db2.gz KUWAPAHTAZDGED-UHFFFAOYSA-N -1 0 334.353 1.373 50 0 EDAARM Cc1noc(C)c1CN1CCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000071280458 441143335 /nfs/dbraw/zinc/14/33/35/441143335.db2.gz WXHKVPWGQZXPDE-KBPBESRZSA-N -1 0 335.404 1.292 50 0 EDAARM COc1ccc(S(=O)(=O)N2CCOc3ccccc32)cc1C(=O)[O-] ZINC000058519249 441200714 /nfs/dbraw/zinc/20/07/14/441200714.db2.gz ZKCPHLPARTYWDM-UHFFFAOYSA-N -1 0 349.364 1.981 50 0 EDAARM CCNC(=O)N[C@H]1CN(C(=O)c2ccc([O-])c(Cl)c2)C[C@@H]1OC ZINC000072277970 441217420 /nfs/dbraw/zinc/21/74/20/441217420.db2.gz WRXVSVOYSJFQHS-AAEUAGOBSA-N -1 0 341.795 1.204 50 0 EDAARM CCCn1nc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)ccc1=O ZINC000072277357 441217941 /nfs/dbraw/zinc/21/79/41/441217941.db2.gz OAAJCWAZEGEPFR-CQSZACIVSA-N -1 0 329.356 1.599 50 0 EDAARM CCOc1ccc([N-]S(=O)(=O)c2n[nH]cc2C(=O)OC)cc1 ZINC000048991487 441340017 /nfs/dbraw/zinc/34/00/17/441340017.db2.gz HWEKAEDEOFBVIR-UHFFFAOYSA-N -1 0 325.346 1.396 50 0 EDAARM Cc1nnc2ccc(S(=O)(=O)[N-]c3ccc4c(c3)OCCO4)cn12 ZINC000065199071 441406879 /nfs/dbraw/zinc/40/68/79/441406879.db2.gz KMYLZQYUWWSSOJ-UHFFFAOYSA-N -1 0 346.368 1.610 50 0 EDAARM O=C(Cn1c(=O)c2ccccc2[n-]c1=S)NC[C@H]1CCCC[C@H]1O ZINC000086334569 441461898 /nfs/dbraw/zinc/46/18/98/441461898.db2.gz JAYSKZOLCVHPPQ-BXUZGUMPSA-N -1 0 347.440 1.726 50 0 EDAARM Cc1ccc(O)c(S(=O)(=O)N2CCOc3c(C(=O)[O-])cccc32)c1 ZINC000089624080 441564964 /nfs/dbraw/zinc/56/49/64/441564964.db2.gz BXIKUHGWBXRTJF-UHFFFAOYSA-N -1 0 349.364 1.987 50 0 EDAARM O=C([O-])[C@H]1CCCN1C(=O)CCn1cc(Br)ccc1=O ZINC000033510827 441594892 /nfs/dbraw/zinc/59/48/92/441594892.db2.gz UPAFOEQGWBYIJQ-SNVBAGLBSA-N -1 0 343.177 1.077 50 0 EDAARM O=C([N-]S(=O)(=O)c1cccc(-c2nnco2)c1)[C@@H]1C[C@H]1C1CC1 ZINC000159119312 441789361 /nfs/dbraw/zinc/78/93/61/441789361.db2.gz RALHNSXOLGSYBT-QWHCGFSZSA-N -1 0 333.369 1.588 50 0 EDAARM COc1cc(F)ccc1[C@H](C(=O)[O-])N1CCN(c2ncccn2)CC1 ZINC000095390962 441918437 /nfs/dbraw/zinc/91/84/37/441918437.db2.gz NRYBDKRBWGAGGV-OAHLLOKOSA-N -1 0 346.362 1.572 50 0 EDAARM COCCC1(C(=O)[N-]S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000123824325 441900270 /nfs/dbraw/zinc/90/02/70/441900270.db2.gz XMWROTIZWXSZKF-UHFFFAOYSA-N -1 0 334.397 1.856 50 0 EDAARM Cc1cc(F)ccc1-n1ccc(C(=O)N(C)C[C@H](C)c2nnn[n-]2)n1 ZINC000124515018 441933051 /nfs/dbraw/zinc/93/30/51/441933051.db2.gz NWVXVFUJDSKTOZ-NSHDSACASA-N -1 0 343.366 1.709 50 0 EDAARM COc1cccc(CN2CCN(c3ccc(C(=O)[O-])cn3)CC2=O)c1 ZINC000095501361 441938554 /nfs/dbraw/zinc/93/85/54/441938554.db2.gz UISMJPGWMDVYJX-UHFFFAOYSA-N -1 0 341.367 1.637 50 0 EDAARM COCCOCCCC(=O)NCc1ccc(C(=O)[O-])c(OC)c1 ZINC000095973485 441965938 /nfs/dbraw/zinc/96/59/38/441965938.db2.gz GAGAJXAGNXTMHM-UHFFFAOYSA-N -1 0 325.361 1.453 50 0 EDAARM Cc1ccc(S(=O)(=O)[N-]c2ncn(Cc3ccccn3)n2)cc1F ZINC000069581378 441980942 /nfs/dbraw/zinc/98/09/42/441980942.db2.gz LONDOJJOSBZQKY-UHFFFAOYSA-N -1 0 347.375 1.970 50 0 EDAARM COC(=O)C[C@@H](c1cccnc1)c1c([O-])nc2cc(C)ccn2c1=O ZINC000096115958 442037316 /nfs/dbraw/zinc/03/73/16/442037316.db2.gz DZQWHVLYHLDPMF-ZDUSSCGKSA-N -1 0 339.351 1.799 50 0 EDAARM Cc1nonc1C(=O)N1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096152376 442047414 /nfs/dbraw/zinc/04/74/14/442047414.db2.gz BWBSINYIJLUIPY-BDJLRTHQSA-N -1 0 329.312 1.081 50 0 EDAARM O=C([O-])c1ccc(C(=O)/C=C\c2cnc(N3CCOCC3)nc2)cc1 ZINC000096295315 442110367 /nfs/dbraw/zinc/11/03/67/442110367.db2.gz PVMHMHPTWSVLHR-BHQIHCQQSA-N -1 0 339.351 1.908 50 0 EDAARM COCCS(=O)(=O)[N-]C(=O)c1ccc(C(F)(F)F)nc1C ZINC000170625437 442238103 /nfs/dbraw/zinc/23/81/03/442238103.db2.gz BFRWNMFHQXCJPV-UHFFFAOYSA-N -1 0 326.296 1.115 50 0 EDAARM O=C([O-])c1coc(C(=O)N2CCCN(C(=O)c3ccccc3)CC2)c1 ZINC000191571863 442466939 /nfs/dbraw/zinc/46/69/39/442466939.db2.gz VNOYFXHCXRHYES-UHFFFAOYSA-N -1 0 342.351 1.966 50 0 EDAARM Cc1cc(S(=O)(=O)[N-]c2cc(S(N)(=O)=O)ccc2C)c(C)o1 ZINC000182780408 318512762 /nfs/dbraw/zinc/51/27/62/318512762.db2.gz OIJIYKMNSFUWKF-UHFFFAOYSA-N -1 0 344.414 1.653 50 0 EDAARM O=C([N-]S(=O)(=O)c1ncccc1F)c1cccc(-c2nc[nH]n2)c1 ZINC000225471187 443105777 /nfs/dbraw/zinc/10/57/77/443105777.db2.gz LHIXXUCZLZUIMF-UHFFFAOYSA-N -1 0 347.331 1.125 50 0 EDAARM CC(C)Oc1ncccc1C(=O)[N-]S(=O)(=O)c1nccs1 ZINC000225470529 443106264 /nfs/dbraw/zinc/10/62/64/443106264.db2.gz UXCOKFYYVFNNMD-UHFFFAOYSA-N -1 0 327.387 1.444 50 0 EDAARM CC(C)c1nn(C)c2sc(C(=O)N3CCOC[C@@H]3C(=O)[O-])cc12 ZINC000268978394 443164292 /nfs/dbraw/zinc/16/42/92/443164292.db2.gz LKJOTTYRFZUVGQ-SNVBAGLBSA-N -1 0 337.401 1.684 50 0 EDAARM Cc1nn(C)c(C)c1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000237682208 443179914 /nfs/dbraw/zinc/17/99/14/443179914.db2.gz AONGQXWYIOYORX-INIZCTEOSA-N -1 0 327.384 1.618 50 0 EDAARM Cc1ccc(CN2C[C@@H](C(=O)N3CC[C@H](C(=O)[O-])C3)CC2=O)cc1 ZINC000237725631 443180104 /nfs/dbraw/zinc/18/01/04/443180104.db2.gz LMHWAXLTXQSXCG-GJZGRUSLSA-N -1 0 330.384 1.277 50 0 EDAARM Cc1ccnc2nc(C(=O)N3Cc4ccccc4C[C@H]3C(=O)[O-])nn21 ZINC000237875434 443186031 /nfs/dbraw/zinc/18/60/31/443186031.db2.gz HTROOYBGWIMCHQ-ZDUSSCGKSA-N -1 0 337.339 1.084 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)C1 ZINC000262385563 443192983 /nfs/dbraw/zinc/19/29/83/443192983.db2.gz DOBPHVRGSUOLGM-JTQLQIEISA-N -1 0 345.804 1.437 50 0 EDAARM O=C([O-])[C@@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000238073667 443193612 /nfs/dbraw/zinc/19/36/12/443193612.db2.gz XPKGMDPANSXZJG-MFKMUULPSA-N -1 0 338.310 1.393 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)CCCOc2ccc(F)cc2)CCO1 ZINC000268946802 443156470 /nfs/dbraw/zinc/15/64/70/443156470.db2.gz HHELLROFXGJWHN-AWEZNQCLSA-N -1 0 325.336 1.687 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)/C=C/c2cccc3cccnc23)CCO1 ZINC000238197282 443196061 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O=C([O-])[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2F)CCO1 ZINC000263067823 443223827 /nfs/dbraw/zinc/22/38/27/443223827.db2.gz ZATJFJOCIVICJN-ZDUSSCGKSA-N -1 0 329.299 1.436 50 0 EDAARM CC(C)(C)c1noc(CCCC(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000263069473 443224168 /nfs/dbraw/zinc/22/41/68/443224168.db2.gz ZISQXFJNJBLNMR-SNVBAGLBSA-N -1 0 325.365 1.002 50 0 EDAARM C[C@]1(NC(=O)[C@@H]2CC23CCS(=O)(=O)CC3)CCCC[C@H]1C(=O)[O-] ZINC000263261526 443227769 /nfs/dbraw/zinc/22/77/69/443227769.db2.gz JUYGTKBBCVANLA-HUBLWGQQSA-N -1 0 343.445 1.351 50 0 EDAARM Cc1nnc2n1C[C@H](C(=O)[O-])N(C(=O)c1ccc(C(C)C)cc1)C2 ZINC000263400962 443229720 /nfs/dbraw/zinc/22/97/20/443229720.db2.gz GNQNBQFTMJHWEQ-CQSZACIVSA-N -1 0 328.372 1.819 50 0 EDAARM CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1cccc(C(=O)[O-])n1 ZINC000263566159 443233083 /nfs/dbraw/zinc/23/30/83/443233083.db2.gz FYBRKHWXSAEAGN-BYCMXARLSA-N -1 0 334.372 1.436 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C/c2cnn(-c3ccccc3)c2)CCO1 ZINC000328595115 444389272 /nfs/dbraw/zinc/38/92/72/444389272.db2.gz LDPBIJQZFNPYNY-LFAOLKIESA-N -1 0 327.340 1.198 50 0 EDAARM Cc1ccc(-n2[n-]c(C(=O)Nc3ccn(CC(F)F)n3)cc2=O)cc1 ZINC000361206261 445752946 /nfs/dbraw/zinc/75/29/46/445752946.db2.gz LDGYNLSSJVTPIE-UHFFFAOYSA-N -1 0 347.325 2.188 50 0 EDAARM Cc1nccn1CC[C@H](NC(=O)Cc1n[nH]c(=O)[n-]1)c1ccccc1 ZINC000426503133 447460431 /nfs/dbraw/zinc/46/04/31/447460431.db2.gz JBXHNTOWPMETNM-AWEZNQCLSA-N -1 0 340.387 1.506 50 0 EDAARM CC(C)c1cc(CN(C)Cc2cnc(N(C)CC(=O)[O-])nc2)on1 ZINC000534592095 448456756 /nfs/dbraw/zinc/45/67/56/448456756.db2.gz BAEQHUHTWADPKG-UHFFFAOYSA-N -1 0 333.392 1.741 50 0 EDAARM CC(C)Oc1ccc(CCNC(=O)c2c[n-]n3c2nccc3=O)cc1 ZINC000585114102 448694815 /nfs/dbraw/zinc/69/48/15/448694815.db2.gz RSGHCBWLZVCBOS-UHFFFAOYSA-N -1 0 340.383 1.782 50 0 EDAARM Cc1ncc(CNC(=O)[C@@H]2CC(C(=O)[O-])=NN2c2ccccc2)s1 ZINC000585134278 448704336 /nfs/dbraw/zinc/70/43/36/448704336.db2.gz LAPXAEBYGGIAAW-AWEZNQCLSA-N -1 0 344.396 1.787 50 0 EDAARM CCC1CCN(S(=O)(=O)N[C@@H]2CCCCC[C@@H]2C(=O)[O-])CC1 ZINC000629312708 450591259 /nfs/dbraw/zinc/59/12/59/450591259.db2.gz FLNZHUGUIJMOLG-UONOGXRCSA-N -1 0 332.466 1.976 50 0 EDAARM COc1ccc(C(=O)N2CCC(n3cc(C(=O)[O-])nn3)CC2)c(O)c1 ZINC000622000444 450981490 /nfs/dbraw/zinc/98/14/90/450981490.db2.gz MXAIDBSFDLUHTL-UHFFFAOYSA-N -1 0 346.343 1.168 50 0 EDAARM CCN(c1cnn(C)c1)S(=O)(=O)c1cc(C)cc(C(=O)[O-])c1O ZINC000655593259 452412752 /nfs/dbraw/zinc/41/27/52/452412752.db2.gz CONXZHDKGLPCMA-UHFFFAOYSA-N -1 0 339.373 1.348 50 0 EDAARM O=C([O-])[C@@H]1C[C@H](O)[C@@H](Nc2ccc3nnc(-c4ccccc4)n3n2)C1 ZINC000662896062 453591728 /nfs/dbraw/zinc/59/17/28/453591728.db2.gz JOTZMAMDEPPRMX-AVGNSLFASA-N -1 0 339.355 1.427 50 0 EDAARM CCc1nc(CN2CCN(C(=O)[C@H](C(=O)[O-])C(C)(C)C)CC2)no1 ZINC000663101164 453682028 /nfs/dbraw/zinc/68/20/28/453682028.db2.gz QPFWLEQSUVLMFQ-CYBMUJFWSA-N -1 0 338.408 1.023 50 0 EDAARM CCOc1ccccc1OCCCC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268983857 521561435 /nfs/dbraw/zinc/56/14/35/521561435.db2.gz OPBPFDJYDKKMEG-ZDUSSCGKSA-N -1 0 337.372 1.556 50 0 EDAARM CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(N3CCN(C)CC3)cc21 ZINC000000001894 523349921 /nfs/dbraw/zinc/34/99/21/523349921.db2.gz FHFYDNQZQSQIAI-UHFFFAOYSA-N -1 0 333.363 1.611 50 0 world EDAARM Cn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC[C@H]3O)cc2[n-]c1=S ZINC000130695389 534705470 /nfs/dbraw/zinc/70/54/70/534705470.db2.gz JUPXAGDHALHBNB-DGCLKSJQSA-N -1 0 333.413 1.256 50 0 EDAARM CC(=O)C[C@@H](C)NC(=O)CCn1c(=O)c2ccccc2[n-]c1=S ZINC000129462695 526447853 /nfs/dbraw/zinc/44/78/53/526447853.db2.gz YWWYMHMMFKLHDI-SNVBAGLBSA-N -1 0 333.413 1.559 50 0 EDAARM CC(C)n1cnnc1S([O-])=CC(=O)N(C)Cc1cccs1 ZINC000096461450 528647772 /nfs/dbraw/zinc/64/77/72/528647772.db2.gz AMOPDZVAZLCSSL-NRFANRHFSA-N -1 0 326.447 1.687 50 0 EDAARM CCCS(=O)(=O)[N-]C(=O)c1[nH]c(-c2cccc(OC)c2)nc1C ZINC000133071478 528812208 /nfs/dbraw/zinc/81/22/08/528812208.db2.gz TZSRRUJRLJLUDE-UHFFFAOYSA-N -1 0 337.401 1.863 50 0 EDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)Cc2cc(F)ccc2OC)C1 ZINC000263133628 536667424 /nfs/dbraw/zinc/66/74/24/536667424.db2.gz WDWYENIOWRVOPH-INIZCTEOSA-N -1 0 325.336 1.327 50 0 EDAARM CC(C)(C)OC(=O)NCCC(=O)N[C@H](c1nnn[n-]1)c1ccccc1 ZINC000747469539 579645187 /nfs/dbraw/zinc/64/51/87/579645187.db2.gz GKSWLBYHKRQSBX-ZDUSSCGKSA-N -1 0 346.391 1.320 50 0 EDAARM CN(C)c1cc(C(=O)N2CCC[C@H]2c2nnn[n-]2)c2ccccc2n1 ZINC000816271108 593682570 /nfs/dbraw/zinc/68/25/70/593682570.db2.gz CREZLTHKKKSKSN-AWEZNQCLSA-N -1 0 337.387 1.791 50 0 EDAARM COc1cc(S(=O)(=O)[N-]c2ccc3c(c2)N(C)CCO3)sn1 ZINC000952994964 708048457 /nfs/dbraw/zinc/04/84/57/708048457.db2.gz YCHPMJXKKPKBDT-UHFFFAOYSA-N -1 0 341.414 1.781 50 0 EDAARM Cc1ccc(-c2nc([C@H]3CCCCn4nnnc43)n(CC(=O)[O-])n2)o1 ZINC000097713490 219050857 /nfs/dbraw/zinc/05/08/57/219050857.db2.gz YSKYCUIVUHSCDU-SNVBAGLBSA-N -1 0 343.347 1.233 50 0 EDAARM O=C([O-])c1cccc(OCCNC(=O)CCC(=O)NC2CCCC2)c1 ZINC000055120188 214276217 /nfs/dbraw/zinc/27/62/17/214276217.db2.gz XWSBFGUOEZEACN-UHFFFAOYSA-N -1 0 348.399 1.719 50 0 EDAARM COc1ccc2[nH]cc(CCN3C(=O)N[C@H](CCC(=O)[O-])C3=O)c2c1 ZINC000098041244 219073380 /nfs/dbraw/zinc/07/33/80/219073380.db2.gz XQJOSFMJFDVWFF-CQSZACIVSA-N -1 0 345.355 1.504 50 0 EDAARM O=C(NCc1cccnc1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100613667 219102907 /nfs/dbraw/zinc/10/29/07/219102907.db2.gz XTSVHDLYQSVKLK-UHFFFAOYSA-N -1 0 335.363 1.978 50 0 EDAARM CC(NC[C@@H]1CCCO1)=C1C(=O)[N-]C(=O)N(C2CCCCC2)C1=O ZINC000101040083 219114520 /nfs/dbraw/zinc/11/45/20/219114520.db2.gz VEDPHCVXJAYFNP-UQRISPGASA-N -1 0 335.404 1.440 50 0 EDAARM CCOC(=O)c1c[n-]n(C2CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1=N ZINC000101142398 219118004 /nfs/dbraw/zinc/11/80/04/219118004.db2.gz FFRCBNQMYJPKOQ-CYBMUJFWSA-N -1 0 346.431 1.992 50 0 EDAARM CC[C@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000004062081 210110099 /nfs/dbraw/zinc/11/00/99/210110099.db2.gz DGTCRFIPTQTOCR-LBPRGKRZSA-N -1 0 333.340 1.637 50 0 EDAARM CCOC(=O)c1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@H]4C2=O)cc1 ZINC000004041737 210105922 /nfs/dbraw/zinc/10/59/22/210105922.db2.gz HFONFDOIGODJRZ-ZUMXRPEOSA-N -1 0 343.335 1.234 50 0 EDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2cc(Cl)ccc2C)C1 ZINC000685940925 539580464 /nfs/dbraw/zinc/58/04/64/539580464.db2.gz KMNMEXVZIZQVHL-GWCFXTLKSA-N -1 0 338.791 1.700 50 0 EDAARM O=C([O-])[C@@H]1C[C@@H](NC(=O)c2ccc3c(c2)CCC3)[C@@H](n2ccnn2)C1 ZINC000685940650 539579083 /nfs/dbraw/zinc/57/90/83/539579083.db2.gz QQCSITXFLUIZBX-OAGGEKHMSA-N -1 0 340.383 1.601 50 0 EDAARM CC[C@@](C)(NC(=O)c1ccc2c(c1)[n-]c(=S)n(C)c2=O)C(=O)OC ZINC000102832118 219233962 /nfs/dbraw/zinc/23/39/62/219233962.db2.gz JHBBHUYIVLMSGT-MRXNPFEDSA-N -1 0 349.412 1.294 50 0 EDAARM CC(C)n1cc(C(=O)N2CCC[C@H](Cn3cc(C(=O)[O-])nn3)C2)cn1 ZINC000067787730 215212569 /nfs/dbraw/zinc/21/25/69/215212569.db2.gz QMGOJBNISMPEIO-LBPRGKRZSA-N -1 0 346.391 1.306 50 0 EDAARM CC(=O)NC1CCN(Cc2nc(-c3ccc(C(=O)[O-])cc3)no2)CC1 ZINC000067895418 215244272 /nfs/dbraw/zinc/24/42/72/215244272.db2.gz JKROXECXHNLKDQ-UHFFFAOYSA-N -1 0 344.371 1.535 50 0 EDAARM O=C([O-])CCC(=O)Nc1ccc2c(c1)OCCOCCOCCO2 ZINC000004834338 304045586 /nfs/dbraw/zinc/04/55/86/304045586.db2.gz RWBOFHZEMJVBQD-UHFFFAOYSA-N -1 0 339.344 1.294 50 0 EDAARM COc1ccc(OC)c([C@H](C)NC(=O)c2nn(C)cc2C(=O)[O-])c1 ZINC000036615402 213102796 /nfs/dbraw/zinc/10/27/96/213102796.db2.gz NXEQKTLZLZTTOK-VIFPVBQESA-N -1 0 333.344 1.627 50 0 EDAARM Cc1cccc(CN2CCN(C(=O)c3nn(C)cc3C(=O)[O-])CC2)c1 ZINC000036615482 213102820 /nfs/dbraw/zinc/10/28/20/213102820.db2.gz JKFTUCHHETYIGR-UHFFFAOYSA-N -1 0 342.399 1.385 50 0 EDAARM COc1ccc([N-]S(=O)(=O)c2cccs2)cc1-n1cnnn1 ZINC000036358916 213089581 /nfs/dbraw/zinc/08/95/81/213089581.db2.gz IJPSUGQJSYPMOB-UHFFFAOYSA-N -1 0 337.386 1.533 50 0 EDAARM COc1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cn1 ZINC000028913814 212644524 /nfs/dbraw/zinc/64/45/24/212644524.db2.gz BWGUIASQNOUHIU-RUDMXATFSA-N -1 0 334.353 1.989 50 0 EDAARM CC1(C)[C@H](C(=O)N2CCN(CCOc3ccccc3)CC2)[C@@H]1C(=O)[O-] ZINC000072403542 216194784 /nfs/dbraw/zinc/19/47/84/216194784.db2.gz SVAYXKHBAAAMPE-JKSUJKDBSA-N -1 0 346.427 1.566 50 0 EDAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000072408455 216200061 /nfs/dbraw/zinc/20/00/61/216200061.db2.gz HWLDMBLHSPTALF-GFCCVEGCSA-N -1 0 337.347 1.687 50 0 EDAARM Cc1ccc(S(=O)(=O)[N-]NC(=S)NCc2ccccc2)cc1 ZINC000000068112 209398477 /nfs/dbraw/zinc/39/84/77/209398477.db2.gz CVNRHVRMICKLMF-UHFFFAOYSA-N -1 0 335.454 1.853 50 0 EDAARM O=C([O-])C1(Oc2ccccc2F)CCN(C(=O)c2ncc[nH]2)CC1 ZINC000072428561 216221296 /nfs/dbraw/zinc/22/12/96/216221296.db2.gz MEPBRUHWCZTJBB-UHFFFAOYSA-N -1 0 333.319 1.687 50 0 EDAARM O=C([O-])[C@H]1CC2(CN1C(=O)C1CC1)CCN(Cc1ncc[nH]1)CC2 ZINC000072447945 216237445 /nfs/dbraw/zinc/23/74/45/216237445.db2.gz FSKHLKKJLQFFMZ-CYBMUJFWSA-N -1 0 332.404 1.087 50 0 EDAARM O=C([O-])C1(n2ccnc2)CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000072475725 216252676 /nfs/dbraw/zinc/25/26/76/216252676.db2.gz IFZVJNHQLAVWEU-UHFFFAOYSA-N -1 0 335.385 1.148 50 0 EDAARM O=C([O-])CO[C@H]1CCOC[C@H]1NC(=O)CCCCc1ccccc1 ZINC000218905134 241350308 /nfs/dbraw/zinc/35/03/08/241350308.db2.gz KLYTWPGJAARLJK-CVEARBPZSA-N -1 0 335.400 1.774 50 0 EDAARM Cc1cc(F)ccc1CC(=O)N[C@@H]1COCC[C@@H]1OCC(=O)[O-] ZINC000219928027 241418733 /nfs/dbraw/zinc/41/87/33/241418733.db2.gz UVWCTUFGGVEYKS-KGLIPLIRSA-N -1 0 325.336 1.052 50 0 EDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(OC)c1 ZINC000021883857 212258616 /nfs/dbraw/zinc/25/86/16/212258616.db2.gz OVYIJTLVWJPPCF-UHFFFAOYSA-N -1 0 325.346 1.396 50 0 EDAARM O=C([O-])CCN(C(=O)c1cc(Br)c[nH]1)C1CCOCC1 ZINC000238073227 242922338 /nfs/dbraw/zinc/92/23/38/242922338.db2.gz KXOAIEBNTUKSNV-UHFFFAOYSA-N -1 0 345.193 1.873 50 0 EDAARM Cn1ncc(C(=O)[O-])c1C(=O)NCc1cnn(-c2ccccc2)c1 ZINC000020615003 212156147 /nfs/dbraw/zinc/15/61/47/212156147.db2.gz ZHMDFFYEKYEMJM-UHFFFAOYSA-N -1 0 325.328 1.234 50 0 EDAARM C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)C(=O)[O-] ZINC000237375986 139049617 /nfs/dbraw/zinc/04/96/17/139049617.db2.gz NQTDJKCWXCCVJE-ZYHUDNBSSA-N -1 0 338.791 1.782 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)Cc2ccc(F)c(Br)c2)CCO1 ZINC000237966071 139065252 /nfs/dbraw/zinc/06/52/52/139065252.db2.gz ZDHCTKLKFYCROM-LLVKDONJSA-N -1 0 346.152 1.443 50 0 EDAARM O=C([O-])COc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCCO2)c1 ZINC000567592353 306456036 /nfs/dbraw/zinc/45/60/36/306456036.db2.gz WGDGXXFCRZVMAN-CABCVRRESA-N -1 0 335.356 1.170 50 0 EDAARM O=C([O-])c1ccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1 ZINC000238092853 139068804 /nfs/dbraw/zinc/06/88/04/139068804.db2.gz KNSIQXPNDOIVEP-OAHLLOKOSA-N -1 0 344.411 1.835 50 0 EDAARM COc1ccccc1[C@@H]1CN(C(=O)Cn2nccc2C)C[C@H]1C(=O)[O-] ZINC000091391132 217999781 /nfs/dbraw/zinc/99/97/81/217999781.db2.gz LGDRHBANLWKBTO-LSDHHAIUSA-N -1 0 343.383 1.527 50 0 EDAARM Cc1cc(NCCc2n[nH]c(=O)n2C)nc(-c2ccccc2[O-])n1 ZINC000091562846 218022929 /nfs/dbraw/zinc/02/29/29/218022929.db2.gz UKBQBEFFGJZPIN-UHFFFAOYSA-N -1 0 326.360 1.234 50 0 EDAARM 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EDAARM Cc1cc(CS(=O)(=O)N2[C@H](C(=O)[O-])C[C@H]3CCCC[C@@H]32)on1 ZINC000262473568 443195843 /nfs/dbraw/zinc/19/58/43/443195843.db2.gz UQDXSBQLRLQTRN-WXHSDQCUSA-N -1 0 328.390 1.531 50 0 EDAARM C[C@@]1(NC(=O)c2csc(S(C)(=O)=O)c2)CCCC[C@H]1C(=O)[O-] ZINC000263251547 443227974 /nfs/dbraw/zinc/22/79/74/443227974.db2.gz HJJRGCCGFQAYKB-IINYFYTJSA-N -1 0 345.442 1.915 50 0 EDAARM Cc1noc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)c1C ZINC000240626658 443202999 /nfs/dbraw/zinc/20/29/99/443202999.db2.gz HIKKJMXSCPVIGM-UHFFFAOYSA-N -1 0 347.396 1.928 50 0 EDAARM Cn1nnc2cc(C(=O)N3[C@@H]4CCCC[C@H]4C[C@H]3C(=O)[O-])ccc21 ZINC000265266376 443588455 /nfs/dbraw/zinc/58/84/55/443588455.db2.gz BSTLTRFETRIOIG-ZBINZKHDSA-N -1 0 328.372 1.826 50 0 EDAARM CCCCn1nc(C(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])ccc1=O ZINC000299744461 444132143 /nfs/dbraw/zinc/13/21/43/444132143.db2.gz SJPFMFSHPISFQF-CFVMTHIKSA-N -1 0 347.415 1.901 50 0 EDAARM c1nn(Cc2nnc3n2CCCC3)cc1N=c1nc(C2CC2)[n-]s1 ZINC000328620373 444397483 /nfs/dbraw/zinc/39/74/83/444397483.db2.gz WUWYYEYXYUOSMG-UHFFFAOYSA-N -1 0 342.432 1.754 50 0 EDAARM COc1ccc([C@H](NC(=O)Cn2cc(C)cn2)C(=O)[O-])cc1Cl ZINC000455911392 447255836 /nfs/dbraw/zinc/25/58/36/447255836.db2.gz BPYGMSSQZYAYEE-AWEZNQCLSA-N -1 0 337.763 1.796 50 0 EDAARM O=C([O-])[C@H](Cc1ccc(O)cc1)NC(=O)c1scc2c1OCCO2 ZINC000426546269 447468231 /nfs/dbraw/zinc/46/82/31/447468231.db2.gz WFZTWECYHMPVPW-NSHDSACASA-N -1 0 349.364 1.651 50 0 EDAARM O=C([N-]C[C@H]1Cc2ccccc2N1C(=O)c1ccon1)C(F)(F)F ZINC000408521761 447673207 /nfs/dbraw/zinc/67/32/07/447673207.db2.gz CHDXFOSAIKKANC-SNVBAGLBSA-N -1 0 339.273 1.925 50 0 EDAARM CC(C)(C)C(=O)N1CCC[C@H](C(=O)Nc2cnn(CC(=O)[O-])c2)C1 ZINC000647745634 452480160 /nfs/dbraw/zinc/48/01/60/452480160.db2.gz LLXSAOVDYGODPB-NSHDSACASA-N -1 0 336.392 1.191 50 0 EDAARM CC[C@@H]1CN([C@H]2CCCCN(CC(=O)[O-])C2=O)CCN1CC(F)F ZINC000643875344 452778295 /nfs/dbraw/zinc/77/82/95/452778295.db2.gz RNPFOQIVJSQLLY-OLZOCXBDSA-N -1 0 347.406 1.113 50 0 EDAARM Cc1nc(-c2ccccn2)nc(N[C@@H]2C[C@@H](C(=O)[O-])C[C@H]2O)c1C ZINC000662894556 453590852 /nfs/dbraw/zinc/59/08/52/453590852.db2.gz AGEXPFCLPJZTFW-MRVWCRGKSA-N -1 0 328.372 1.791 50 0 EDAARM O=S(=O)(c1ccccc1[O-])N1CCC[C@](O)(C(F)(F)F)CC1 ZINC000389074740 486860878 /nfs/dbraw/zinc/86/08/78/486860878.db2.gz XJKZHIOGSPGJOO-GFCCVEGCSA-N -1 0 339.335 1.860 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@@H]2CCCN(C(=O)c3ccccc3)C2)C1 ZINC000136137702 534520386 /nfs/dbraw/zinc/52/03/86/534520386.db2.gz VCMSPDVREOOPRX-HZPDHXFCSA-N -1 0 344.411 1.862 50 0 EDAARM CC[C@@H](C)[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)[O-] ZINC000207716388 535660001 /nfs/dbraw/zinc/66/00/01/535660001.db2.gz MQXBCBVPCOSUBF-SJKOYZFVSA-N -1 0 343.383 1.526 50 0 EDAARM CCOc1cc(C(=O)N2CCCO[C@H](C)C2)ccc1OCC(=O)[O-] ZINC000263550017 535663556 /nfs/dbraw/zinc/66/35/56/535663556.db2.gz VYIWQKXKBHLSLW-GFCCVEGCSA-N -1 0 337.372 1.800 50 0 EDAARM Cc1coc(CC(=O)[O-])c1C(=O)N1CCOc2cc(O)ccc2C1 ZINC000863981930 596739995 /nfs/dbraw/zinc/73/99/95/596739995.db2.gz WOMRRJAIABMPAK-UHFFFAOYSA-N -1 0 331.324 1.956 50 0 EDAARM C[C@@H](O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000585121827 605050645 /nfs/dbraw/zinc/05/06/45/605050645.db2.gz BGTNRIMIRSDVTA-MWLCHTKSSA-N -1 0 347.820 1.820 50 0 EDAARM Nn1c(=O)c(CCC(=O)[O-])nnc1SCc1cccc(Cl)c1 ZINC000004727561 210261819 /nfs/dbraw/zinc/26/18/19/210261819.db2.gz BLFVSBVVIGYIQF-UHFFFAOYSA-N -1 0 340.792 1.315 50 0 EDAARM Cc1cc(NC(=O)[N-]S(=O)(=O)Oc2ccc(F)cc2F)no1 ZINC000004594144 210229158 /nfs/dbraw/zinc/22/91/58/210229158.db2.gz RBZONVKQFDMUMI-UHFFFAOYSA-N -1 0 333.272 1.707 50 0 EDAARM CN(C)c1ncccc1[N-]S(=O)(=O)c1ccc2c(c1)C(=O)NCC2 ZINC000187733674 529814968 /nfs/dbraw/zinc/81/49/68/529814968.db2.gz UBGDACXXUMFDAU-UHFFFAOYSA-N -1 0 346.412 1.234 50 0 EDAARM Cc1nn(C)c(C)c1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000004411713 210189961 /nfs/dbraw/zinc/18/99/61/210189961.db2.gz PGSDZYXDDKPBLP-UHFFFAOYSA-N -1 0 348.428 1.965 50 0 EDAARM CCc1ccccc1NC(=O)C(=O)Nc1c(C)nn(CC(=O)[O-])c1C ZINC000065493433 214931915 /nfs/dbraw/zinc/93/19/15/214931915.db2.gz JVRNQHGFHHNZAG-UHFFFAOYSA-N -1 0 344.371 1.724 50 0 EDAARM CC(C)Cc1cc(C(=O)N2CCc3c(c(C(=O)[O-])nn3C)C2)n(C)n1 ZINC000067643081 215171304 /nfs/dbraw/zinc/17/13/04/215171304.db2.gz HTWJWUDZOIZNAF-UHFFFAOYSA-N -1 0 345.403 1.249 50 0 EDAARM O=C([O-])c1coc(C(=O)NC2CCN(C(=O)c3ccoc3)CC2)c1 ZINC000183756839 235217863 /nfs/dbraw/zinc/21/78/63/235217863.db2.gz LHFPLPLDRUJANX-UHFFFAOYSA-N -1 0 332.312 1.605 50 0 EDAARM O=C([O-])CC[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2)C1 ZINC000261942409 304063703 /nfs/dbraw/zinc/06/37/03/304063703.db2.gz UXQIMKUOZAGUFE-GFCCVEGCSA-N -1 0 329.360 1.379 50 0 EDAARM O=C([O-])c1cc(NC(=O)[C@H]2CCCO2)cc(NC(=O)[C@H]2CCCO2)c1 ZINC000000468088 209619372 /nfs/dbraw/zinc/61/93/72/209619372.db2.gz LFGPDNXHZZBXRT-ZIAGYGMSSA-N -1 0 348.355 1.620 50 0 EDAARM CCS(=O)(=O)Nc1cnc(N2CCCCCC2)c(C(=O)[O-])c1 ZINC000035397421 213025890 /nfs/dbraw/zinc/02/58/90/213025890.db2.gz UQOHQQZHPCFZLN-UHFFFAOYSA-N -1 0 327.406 1.922 50 0 EDAARM Cn1ccnc1C(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)c1 ZINC000071287477 215754588 /nfs/dbraw/zinc/75/45/88/215754588.db2.gz RKOUCSADBRNTOC-STQMWFEESA-N -1 0 341.367 1.946 50 0 EDAARM COc1ccc(S(=O)(=O)[N-]c2nc(C(N)=O)cs2)c(C)c1C ZINC000071913806 215958350 /nfs/dbraw/zinc/95/83/50/215958350.db2.gz PNCZTJBOKUEJAS-UHFFFAOYSA-N -1 0 341.414 1.668 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)[C@H]2SCCc3sccc32)CCO1 ZINC000268944017 304084381 /nfs/dbraw/zinc/08/43/81/304084381.db2.gz GIWLWZXPPWCFIK-ZANVPECISA-N -1 0 327.427 1.781 50 0 EDAARM Cn1c2ccc([C@H](NC(=O)c3ccccc3)C(=O)[O-])cc2n(C)c1=O ZINC000030834297 212710884 /nfs/dbraw/zinc/71/08/84/212710884.db2.gz WSFYSOJAQNQHTL-HNNXBMFYSA-N -1 0 339.351 1.433 50 0 EDAARM NS(=O)(=O)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1 ZINC000000358748 209549843 /nfs/dbraw/zinc/54/98/43/209549843.db2.gz GZMIIXJVSILWAP-NWDGAFQWSA-N -1 0 326.374 1.164 50 0 EDAARM Cc1ccc(NC(=O)Cc2nnc(SCC(=O)[O-])n2C)c(C)c1 ZINC000072328101 216152417 /nfs/dbraw/zinc/15/24/17/216152417.db2.gz XHIGZKJHOJCHNH-UHFFFAOYSA-N -1 0 334.401 1.790 50 0 EDAARM CC(C)(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)[C@@H]3CCCO3)CC2)n1 ZINC000072410071 216202194 /nfs/dbraw/zinc/20/21/94/216202194.db2.gz NONSRIHRIIYSBJ-ZDUSSCGKSA-N -1 0 349.431 1.762 50 0 EDAARM Cc1cc(C)n(-c2ccc(F)cc2CN2CCO[C@H](C(=O)[O-])C2)n1 ZINC000072410075 216202594 /nfs/dbraw/zinc/20/25/94/216202594.db2.gz XBAGCMOXHWUITJ-INIZCTEOSA-N -1 0 333.363 1.914 50 0 EDAARM Cn1cc(C(=O)N2CCC(Oc3cccc(F)c3)(C(=O)[O-])CC2)cn1 ZINC000072426422 216217534 /nfs/dbraw/zinc/21/75/34/216217534.db2.gz VUPWRGXDMYTHJL-UHFFFAOYSA-N -1 0 347.346 1.698 50 0 EDAARM O=C([O-])C1CCN([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)CC1 ZINC000000062524 209395810 /nfs/dbraw/zinc/39/58/10/209395810.db2.gz NJVDTDHZCYROLK-ZDUSSCGKSA-N -1 0 336.775 1.769 50 0 EDAARM O=C([O-])[C@@H]1C2CCC(CC2)[C@@H]1C(=O)N1CCN(c2ncccn2)CC1 ZINC000017071843 304097442 /nfs/dbraw/zinc/09/74/42/304097442.db2.gz FKTTVMUTXAEHHI-PFSRBDOWSA-N -1 0 344.415 1.262 50 0 EDAARM O=C(CCc1cc(=O)[n-]o1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000072448231 216239000 /nfs/dbraw/zinc/23/90/00/216239000.db2.gz YNGBSGCQMOMYEZ-UHFFFAOYSA-N -1 0 333.363 1.384 50 0 EDAARM COCc1ccc(C(=O)N2CCC(C(=O)[O-])(n3cccn3)CC2)o1 ZINC000072473814 216252005 /nfs/dbraw/zinc/25/20/05/216252005.db2.gz ZNRPFHGPLKFYQT-UHFFFAOYSA-N -1 0 333.344 1.339 50 0 EDAARM O=C([O-])[C@@H]1CCCCN1S(=O)(=O)c1ccc(Cl)c2nonc21 ZINC000263192052 304106255 /nfs/dbraw/zinc/10/62/55/304106255.db2.gz MQLZPFOHFHRUQH-QMMMGPOBSA-N -1 0 345.764 1.504 50 0 EDAARM O=C(c1ccccc1[N-]S(=O)(=O)c1ccccc1)N1CCOCC1 ZINC000022960373 212339198 /nfs/dbraw/zinc/33/91/98/212339198.db2.gz BWVXLCZONPHLFI-UHFFFAOYSA-N -1 0 346.408 1.960 50 0 EDAARM Cn1nc(-c2cccs2)cc1C(=O)N1CCOC[C@H]1CC(=O)[O-] ZINC000219132634 241368198 /nfs/dbraw/zinc/36/81/98/241368198.db2.gz YFTJGEWDYIJGPU-SNVBAGLBSA-N -1 0 335.385 1.464 50 0 EDAARM CCc1nc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)no1 ZINC000253419837 243954155 /nfs/dbraw/zinc/95/41/55/243954155.db2.gz GBYSYRPWSWICCV-UHFFFAOYSA-N -1 0 340.336 1.457 50 0 EDAARM Cc1[nH]nc(C(N)=O)c1[N-]S(=O)(=O)c1cccc(Cl)c1C ZINC000078601477 217084004 /nfs/dbraw/zinc/08/40/04/217084004.db2.gz CCZBFAWEGLKUTL-UHFFFAOYSA-N -1 0 328.781 1.580 50 0 EDAARM O=C([O-])CNC(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000238188709 139069912 /nfs/dbraw/zinc/06/99/12/139069912.db2.gz BHJPYDPQJJKITE-JTQLQIEISA-N -1 0 344.289 1.255 50 0 EDAARM CCN(CC(=O)[O-])C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000236924547 284406359 /nfs/dbraw/zinc/40/63/59/284406359.db2.gz QUMFRXYPKQCEMQ-UHFFFAOYSA-N -1 0 327.327 1.946 50 0 EDAARM O=C([O-])[C@H]1CCCN1CC(=O)NC[C@H]1CCN(c2ccccc2)C1 ZINC000269298802 304187280 /nfs/dbraw/zinc/18/72/80/304187280.db2.gz PMGSZUAXTNEIMY-GDBMZVCRSA-N -1 0 331.416 1.178 50 0 EDAARM CS(=O)(=O)c1cccc(S(=O)(=O)[N-]C(=O)CC2CCCC2)c1 ZINC000089490212 217805294 /nfs/dbraw/zinc/80/52/94/217805294.db2.gz OIPKVVIKDGBPAL-UHFFFAOYSA-N -1 0 345.442 1.475 50 0 EDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1ccc(-n2ccnn2)cc1 ZINC000238044601 304207143 /nfs/dbraw/zinc/20/71/43/304207143.db2.gz HQXMMTXBKQQYLL-QGZVFWFLSA-N -1 0 348.362 1.919 50 0 EDAARM COc1ccc2c(C)c(CC(=O)N[C@H](C)C(=O)[O-])c(=O)oc2c1C ZINC000011865472 211260218 /nfs/dbraw/zinc/26/02/18/211260218.db2.gz OBXIDNNXFQACNF-SNVBAGLBSA-N -1 0 333.340 1.550 50 0 EDAARM COc1cnc(N2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)nc1 ZINC000091563226 218022728 /nfs/dbraw/zinc/02/27/28/218022728.db2.gz ZQSQOLIQYBJACF-GFCCVEGCSA-N -1 0 348.403 1.167 50 0 EDAARM CC1(C(=O)N2C[C@@H](c3ccc4c(c3)OCO4)[C@H](C(=O)[O-])C2)COC1 ZINC000091656542 218041472 /nfs/dbraw/zinc/04/14/72/218041472.db2.gz BKQWBTMDBRSXLG-NWDGAFQWSA-N -1 0 333.340 1.078 50 0 EDAARM CCC[C@@H]1CN(c2ncc(F)c(N3CCOCC3)n2)C[C@H]1C(=O)[O-] ZINC000091663701 218042122 /nfs/dbraw/zinc/04/21/22/218042122.db2.gz RALGEVOXIPXSFJ-VXGBXAGGSA-N -1 0 338.383 1.389 50 0 EDAARM C[C@H](c1ccon1)N(C)C(=O)c1ccc(N2CC(=O)N=C2[O-])cc1 ZINC000091950536 218093935 /nfs/dbraw/zinc/09/39/35/218093935.db2.gz FJEVOCGZVPYXOW-SNVBAGLBSA-N -1 0 328.328 1.564 50 0 EDAARM Cc1ccc(C(=O)N2CCC3(CC2)[C@@H](C(=O)[O-])CC(=O)N3C)s1 ZINC000095355421 218289189 /nfs/dbraw/zinc/28/91/89/218289189.db2.gz NZGCMKPHQDWUNF-LLVKDONJSA-N -1 0 336.413 1.594 50 0 EDAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CCN3CCOCC3)C2)cc1 ZINC000095386275 218317825 /nfs/dbraw/zinc/31/78/25/218317825.db2.gz HZKQLTIIOYKEAT-QGZVFWFLSA-N -1 0 346.427 1.813 50 0 EDAARM CNc1nc(C(=O)N2CCCn3nc(CCC(=O)[O-])cc3C2)cs1 ZINC000095385869 218318459 /nfs/dbraw/zinc/31/84/59/218318459.db2.gz JWILIJNLPWCMJC-UHFFFAOYSA-N -1 0 349.416 1.445 50 0 EDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2-c2ccno2)C1 ZINC000262466159 139280895 /nfs/dbraw/zinc/28/08/95/139280895.db2.gz SZPHZUPKGCUQMC-NSHDSACASA-N -1 0 336.369 1.827 50 0 EDAARM Cc1c(C(=O)N(C)CC(=O)[O-])nnn1-c1ccc(OC(F)F)cc1 ZINC000262492522 139282314 /nfs/dbraw/zinc/28/23/14/139282314.db2.gz WTYMDMSVNNOUDJ-UHFFFAOYSA-N -1 0 340.286 1.334 50 0 EDAARM 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EDAARM O=C([O-])c1ccccc1CC(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000071279249 441143101 /nfs/dbraw/zinc/14/31/01/441143101.db2.gz YYGXYHYETWYBOQ-UHFFFAOYSA-N -1 0 341.302 1.681 50 0 EDAARM CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)[O-] ZINC000071335131 441145642 /nfs/dbraw/zinc/14/56/42/441145642.db2.gz HMARZUXPCKWLQH-ZUZCIYMTSA-N -1 0 349.412 1.587 50 0 EDAARM O=C([N-]S(=O)(=O)c1cccnc1)c1ccccc1OCC1CC1 ZINC000102115248 441166018 /nfs/dbraw/zinc/16/60/18/441166018.db2.gz SYQFFMJDJQKXBJ-UHFFFAOYSA-N -1 0 332.381 1.989 50 0 EDAARM Cc1ccccc1OCC(=O)N1CCc2c(nc3cc[n-]n3c2=O)C1 ZINC000102990090 441174053 /nfs/dbraw/zinc/17/40/53/441174053.db2.gz SVNNGAVWQPIYJL-UHFFFAOYSA-N -1 0 338.367 1.295 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]c2nc3c(s2)C[C@H](C)CC3)cn1 ZINC000014222007 441179215 /nfs/dbraw/zinc/17/92/15/441179215.db2.gz RAIOPDXEDIBIJF-SECBINFHSA-N -1 0 326.447 2.285 50 0 EDAARM CN(C(=O)CSc1ccccc1C(=O)[O-])[C@H]1CCS(=O)(=O)C1 ZINC000012937189 441149272 /nfs/dbraw/zinc/14/92/72/441149272.db2.gz 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50 0 EDAARM CC[C@@](C)(c1nnnn1-c1c(C)cccc1C)N(C=O)CC(=O)[O-] ZINC000035178175 441602819 /nfs/dbraw/zinc/60/28/19/441602819.db2.gz NOVQOZCEJRBYKE-INIZCTEOSA-N -1 0 331.376 1.447 50 0 EDAARM CCC[C@](C)(NC(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1)C(=O)[O-] ZINC000089949439 441603211 /nfs/dbraw/zinc/60/32/11/441603211.db2.gz XSQWIDRRLSVITA-DLBZAZTESA-N -1 0 347.371 1.114 50 0 EDAARM O=C(Cc1cccs1)[N-]S(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000042268045 441719725 /nfs/dbraw/zinc/71/97/25/441719725.db2.gz OMAXBGJXPGSEHN-UHFFFAOYSA-N -1 0 339.394 1.567 50 0 EDAARM O=C([O-])[C@H]1CCC[C@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000095991876 441973571 /nfs/dbraw/zinc/97/35/71/441973571.db2.gz IBEDIVGTJPEQOO-KBPBESRZSA-N -1 0 332.404 1.453 50 0 EDAARM COc1ccc(CNC(=O)C[C@@H](SC(C)=O)C(=O)[O-])cc1OC ZINC000095918229 441953830 /nfs/dbraw/zinc/95/38/30/441953830.db2.gz IFUVCERYMHEICE-CYBMUJFWSA-N -1 0 341.385 1.443 50 0 EDAARM CC(C)OCCC(=O)[N-]S(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000069641450 441997706 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COc1ccc(C)cc1-n1ccc(C(=O)N2CCC[C@H]2C(=O)[O-])n1 ZINC000237212382 536787557 /nfs/dbraw/zinc/78/75/57/536787557.db2.gz NGMSNWFPXDOMSZ-ZDUSSCGKSA-N -1 0 329.356 1.879 50 0 EDAARM O=C([O-])c1ccc(/C=C\C(=O)N2CC[C@](O)(C(F)(F)F)C2)cc1 ZINC000888104929 591033505 /nfs/dbraw/zinc/03/35/05/591033505.db2.gz NOUKIZMVMIZRGC-JHAQOBCDSA-N -1 0 329.274 1.924 50 0 EDAARM O=C([C@@H]1CCN(c2ccccc2F)C1)N1CCC(c2nnn[n-]2)CC1 ZINC000864233191 596796869 /nfs/dbraw/zinc/79/68/69/596796869.db2.gz HWSBCZNVDIDKIF-CYBMUJFWSA-N -1 0 344.394 1.571 50 0 EDAARM CC(C)Oc1ncc(C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1Cl ZINC000584908047 599939034 /nfs/dbraw/zinc/93/90/34/599939034.db2.gz DXDNVYBZYSVCJE-NSHDSACASA-N -1 0 328.752 1.448 50 0 EDAARM CCOc1ccc([C@H]2CC(c3c([O-])[nH]c(=S)n(C)c3=O)=NN2)cc1 ZINC000101494920 219129198 /nfs/dbraw/zinc/12/91/98/219129198.db2.gz QVYOQGPBGHRXDX-LLVKDONJSA-N -1 0 346.412 1.986 50 0 EDAARM CCn1cc(S(=O)(=O)Nc2cc(C(=O)[O-])c(F)cc2F)cn1 ZINC000066581043 215056382 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Cn1cc(CN2C(=O)C[C@@H](C(=O)[O-])[C@@H]2c2ccc3c(c2)CCO3)cn1 ZINC000069492036 215444630 /nfs/dbraw/zinc/44/46/30/215444630.db2.gz FEYOWCWFKCKUQM-PBHICJAKSA-N -1 0 341.367 1.529 50 0 EDAARM COC(=O)Cn1cc([N-]S(=O)(=O)c2cccc(Cl)c2)cn1 ZINC000038030614 213194712 /nfs/dbraw/zinc/19/47/12/213194712.db2.gz HZEOSFKODQZQJV-UHFFFAOYSA-N -1 0 329.765 1.510 50 0 EDAARM C[C@@H]1CCCC[C@@]12NC(=O)N(CC(=O)[N-]OCc1ccccc1)C2=O ZINC000036727597 213113721 /nfs/dbraw/zinc/11/37/21/213113721.db2.gz QMAHFPNXYULLGR-FZKQIMNGSA-N -1 0 345.399 1.735 50 0 EDAARM O=C([O-])C[C@@H]1COCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000128300095 304078830 /nfs/dbraw/zinc/07/88/30/304078830.db2.gz AKNZESHKJOZXHD-SSDOTTSWSA-N -1 0 325.795 1.266 50 0 EDAARM O=C([O-])c1ccccc1[C@@H]1CCN(S(=O)(=O)c2cccnc2)C1 ZINC000072128906 216019832 /nfs/dbraw/zinc/01/98/32/216019832.db2.gz ACEWYCIWZZURJI-GFCCVEGCSA-N -1 0 332.381 1.958 50 0 EDAARM O=C([O-])c1cccc(C[C@@H]2CCN(C(=O)CN3CCCC3=O)C2)c1 ZINC000072143991 216028720 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O=C([O-])[C@@H]1CCCN1C(=O)c1ccc(Cl)c(N2CCNC2=O)c1 ZINC000262083889 304113219 /nfs/dbraw/zinc/11/32/19/304113219.db2.gz FQHBKGVFNBKUCX-NSHDSACASA-N -1 0 337.763 1.559 50 0 EDAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)N(C)C(=O)CO3)n1 ZINC000227161745 242125671 /nfs/dbraw/zinc/12/56/71/242125671.db2.gz UTCIHXZCTVJKCY-UHFFFAOYSA-N -1 0 333.369 1.546 50 0 EDAARM CC(=O)N1CCC(C(=O)N[C@H](CC(=O)[O-])c2ccccc2C)CC1 ZINC000236832845 242374702 /nfs/dbraw/zinc/37/47/02/242374702.db2.gz VFEFJHPGQOYPHU-MRXNPFEDSA-N -1 0 332.400 1.886 50 0 EDAARM O=C([O-])CC[C@@H]1CCCCN1C(=O)Cc1ccc(-n2cnnn2)cc1 ZINC000237929469 242861472 /nfs/dbraw/zinc/86/14/72/242861472.db2.gz GYQUTXGVALAMPV-AWEZNQCLSA-N -1 0 343.387 1.451 50 0 EDAARM O=C([O-])c1cccc(-c2nc3c([nH]2)CCN(C(=O)[C@H]2CCOC2)C3)c1 ZINC000244723518 243069254 /nfs/dbraw/zinc/06/92/54/243069254.db2.gz MDBSVXVTMGWSIO-ZDUSSCGKSA-N -1 0 341.367 1.696 50 0 EDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1S(=O)(=O)c1cncc(F)c1 ZINC000261863631 304145506 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EDAARM Cc1ccc([C@H](C(=O)[O-])N2CCN(Cc3nccn3C)CC2)c(F)c1 ZINC000095368223 218300307 /nfs/dbraw/zinc/30/03/07/218300307.db2.gz UYAZULLPCFZWIH-QGZVFWFLSA-N -1 0 346.406 1.811 50 0 EDAARM O=C([O-])c1cccc([C@@H]2CCCN(S(=O)(=O)c3cn[nH]c3)C2)c1 ZINC000095392288 218324216 /nfs/dbraw/zinc/32/42/16/218324216.db2.gz CMJZJVQQBOXZBK-CYBMUJFWSA-N -1 0 335.385 1.676 50 0 EDAARM O=C([O-])[C@@H](NC(=O)[C@@H]1CCS(=O)(=O)C1)c1ccc(Cl)c(F)c1 ZINC000262040136 139245961 /nfs/dbraw/zinc/24/59/61/139245961.db2.gz AEUGZAQNAIHPCF-KCJUWKMLSA-N -1 0 349.767 1.156 50 0 EDAARM O=C([O-])[C@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000006746616 210699774 /nfs/dbraw/zinc/69/97/74/210699774.db2.gz DMWLEQRDIILKGN-VIFPVBQESA-N -1 0 348.218 1.934 50 0 EDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccccc2Br)C1 ZINC000006746618 210698971 /nfs/dbraw/zinc/69/89/71/210698971.db2.gz DMWLEQRDIILKGN-SECBINFHSA-N -1 0 348.218 1.934 50 0 EDAARM Cc1cc2ncc(C(=O)Nc3cnn(C(C)(C)C(=O)[O-])c3)c(C)n2n1 ZINC000262693740 139296889 /nfs/dbraw/zinc/29/68/89/139296889.db2.gz CXGGDVDZQCSHIP-UHFFFAOYSA-N -1 0 342.359 1.615 50 0 EDAARM CC(=O)Nc1ccc(F)c(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)c1 ZINC000262785015 139303383 /nfs/dbraw/zinc/30/33/83/139303383.db2.gz MMQZILWQFIZCFA-HZMBPMFUSA-N -1 0 338.335 1.394 50 0 EDAARM CS(=O)(=O)c1cc(NC(=O)N2CC[C@H](C(=O)[O-])C2)ccc1Cl ZINC000262985240 139316465 /nfs/dbraw/zinc/31/64/65/139316465.db2.gz CLRAJPZTIJVHNT-QMMMGPOBSA-N -1 0 346.792 1.682 50 0 EDAARM C[C@](NC(=O)[C@H]1COCCO1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000263028505 139318530 /nfs/dbraw/zinc/31/85/30/139318530.db2.gz OIKFNKRESNPQGE-BXUZGUMPSA-N -1 0 348.182 1.825 50 0 EDAARM COc1cccc(SCC(=O)NC2(C(=O)[O-])CCOCC2)c1 ZINC000263039417 139319119 /nfs/dbraw/zinc/31/91/19/139319119.db2.gz VNXLCQIGQLOLMR-UHFFFAOYSA-N -1 0 325.386 1.537 50 0 EDAARM CC(=O)Nc1cc(S(=O)(=O)N2C[C@@H](C)[C@H](C(=O)[O-])C2)ccc1F ZINC000263055121 139319960 /nfs/dbraw/zinc/31/99/60/139319960.db2.gz DWOSOWYIVRJTFA-LDYMZIIASA-N -1 0 344.364 1.125 50 0 EDAARM CS(=O)(=O)c1cc(C(=O)N2C[C@@H]3CCC[C@@H]3[C@@H]2C(=O)[O-])cs1 ZINC000263121265 139323524 /nfs/dbraw/zinc/32/35/24/139323524.db2.gz XCSZBOJXZVJASG-PTOFAABTSA-N -1 0 343.426 1.477 50 0 EDAARM COc1ccc(Cn2ccc(NC(=O)N3CC[C@H](C(=O)[O-])C3)n2)cc1 ZINC000263129679 139323954 /nfs/dbraw/zinc/32/39/54/139323954.db2.gz XYMUEMPALNEQOF-ZDUSSCGKSA-N -1 0 344.371 1.878 50 0 EDAARM C[C@H](NC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1)[C@H]1CCCOC1 ZINC000263238066 139330231 /nfs/dbraw/zinc/33/02/31/139330231.db2.gz NJNQEEABHHPZDH-UKKRHICBSA-N -1 0 338.326 1.706 50 0 EDAARM C[C@H]1C[C@@H](C(=O)[O-])CN(C(=O)N[C@@H]2CCCC[C@H]2S(C)(=O)=O)C1 ZINC000263334231 139336431 /nfs/dbraw/zinc/33/64/31/139336431.db2.gz MDDBHQBMYNIYGO-UMSGYPCISA-N -1 0 346.449 1.094 50 0 EDAARM COc1cccnc1CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263356095 139337748 /nfs/dbraw/zinc/33/77/48/139337748.db2.gz JAXSTRHLHKGMKZ-RKDXNWHRSA-N -1 0 347.293 1.495 50 0 EDAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O 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332.356 1.205 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cnn(Cc2ccccc2Cl)c1 ZINC000299747769 258008737 /nfs/dbraw/zinc/00/87/37/258008737.db2.gz DZPJTXXVHJCYFG-AWEZNQCLSA-N -1 0 349.774 1.510 50 0 EDAARM CCn1ccc(-c2nnc(SCC(=O)[O-])n2C[C@H]2CCCO2)n1 ZINC000002538208 258049902 /nfs/dbraw/zinc/04/99/02/258049902.db2.gz MNJRTOWCIXKMJN-SNVBAGLBSA-N -1 0 337.405 1.517 50 0 EDAARM CC(C)(C)S(=O)(=O)CC(=O)N1CCc2ccccc2[C@H]1C(=O)[O-] ZINC000263274769 278476257 /nfs/dbraw/zinc/47/62/57/278476257.db2.gz QFEMRBZXDDONAZ-AWEZNQCLSA-N -1 0 339.413 1.410 50 0 EDAARM CC(C)NC(=O)Nc1ccc(C(=O)N2CCOC[C@@H]2C(=O)[O-])cc1 ZINC000262530623 279593715 /nfs/dbraw/zinc/59/37/15/279593715.db2.gz SLJFGKGOJZREOB-CYBMUJFWSA-N -1 0 335.360 1.142 50 0 EDAARM CC1(C)C[C@@H](NC(=O)c2cnc(C(=O)[O-])cn2)c2cc(N)ccc2O1 ZINC000408521642 281316486 /nfs/dbraw/zinc/31/64/86/281316486.db2.gz GGPBRELKFISGLO-LLVKDONJSA-N -1 0 342.355 1.789 50 0 EDAARM CC1(C)C[C@H](C(=O)N2CCC(C(=O)[O-])(n3ccnc3)CC2)CCO1 ZINC000072409290 281334139 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331.372 1.727 50 0 EDAARM C[C@H](C(=O)[O-])N1C(=O)/C(=C2\C(=O)Nc3ccccc32)SC1=S ZINC000001748989 298215956 /nfs/dbraw/zinc/21/59/56/298215956.db2.gz SQTWVYNREXHISB-VQAQDHJASA-N -1 0 334.378 1.683 50 0 EDAARM C[C@H]1CN(C(=O)CCc2ccc(C(=O)[O-])cc2)C[C@@]2(CCOC2)O1 ZINC000263569104 300126347 /nfs/dbraw/zinc/12/63/47/300126347.db2.gz HHUMUCMDCSAPAQ-SCLBCKFNSA-N -1 0 333.384 1.724 50 0 EDAARM CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000000266598 440811460 /nfs/dbraw/zinc/81/14/60/440811460.db2.gz CPNDWLIIQRYPLM-OAHLLOKOSA-N -1 0 348.380 1.749 50 0 EDAARM COc1ccc(S(=O)(=O)N(CC(=O)[O-])Cc2ccccc2)cc1 ZINC000000118554 440800418 /nfs/dbraw/zinc/80/04/18/440800418.db2.gz UFCYEQXQMJKGQB-UHFFFAOYSA-N -1 0 335.381 1.971 50 0 EDAARM CC(=O)Nc1ccc(NC(=O)C[C@H](NCc2ccco2)C(=O)[O-])cc1 ZINC000006857046 441019953 /nfs/dbraw/zinc/01/99/53/441019953.db2.gz GHXIZIYDEAHWMV-HNNXBMFYSA-N -1 0 345.355 1.810 50 0 EDAARM O=C([O-])[C@@H](NC(=O)Cn1ncc2ccccc2c1=O)c1ccccc1 ZINC000071328965 441145013 /nfs/dbraw/zinc/14/50/13/441145013.db2.gz QKNFJCWXNHSFLA-INIZCTEOSA-N -1 0 337.335 1.339 50 0 EDAARM CC[C@H](C)[C@H](NC(=O)Cn1nc(-c2cccs2)ccc1=O)C(=O)[O-] ZINC000071335126 441145992 /nfs/dbraw/zinc/14/59/92/441145992.db2.gz HMARZUXPCKWLQH-BONVTDFDSA-N -1 0 349.412 1.587 50 0 EDAARM CC(C)(C)c1ccc(S(=O)(=O)N2CCN[C@@H](C(=O)[O-])C2)cc1 ZINC000071754301 441151916 /nfs/dbraw/zinc/15/19/16/441151916.db2.gz SQSYVHNVIJHCAU-CYBMUJFWSA-N -1 0 326.418 1.031 50 0 EDAARM Cc1nc(NC(=O)[N-]S(=O)(=O)c2cccs2)[nH]c(=O)c1C ZINC000013407803 441158638 /nfs/dbraw/zinc/15/86/38/441158638.db2.gz LEYZJCPXZCOYKD-UHFFFAOYSA-N -1 0 328.375 1.371 50 0 EDAARM Cc1cccc([N-]S(=O)(=O)c2ccc3c(c2)CCC(=O)N3C)n1 ZINC000072265352 441210291 /nfs/dbraw/zinc/21/02/91/441210291.db2.gz UGPMRQLCKFLCFV-UHFFFAOYSA-N -1 0 331.397 2.100 50 0 EDAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3cccc4ccccc43)c(=O)c1-2 ZINC000017920978 441245848 /nfs/dbraw/zinc/24/58/48/441245848.db2.gz RDCHQYFNINCDCX-ZIAGYGMSSA-N -1 0 337.335 1.220 50 0 EDAARM Cc1nn(C)c(Cl)c1[C@H]1CC(=O)Nc2c1c(C)nn2CC(=O)[O-] ZINC000065526660 441452145 /nfs/dbraw/zinc/45/21/45/441452145.db2.gz PHWTWFKCDACLSY-MRVPVSSYSA-N -1 0 337.767 1.446 50 0 EDAARM O=S(=O)([N-]c1nc2ncccn2n1)c1ccc2c(c1)CCCC2 ZINC000065588184 441464410 /nfs/dbraw/zinc/46/44/10/441464410.db2.gz PQGGHDIKGAEHKN-UHFFFAOYSA-N -1 0 329.385 1.804 50 0 EDAARM COc1ccc(-c2nnc(SCC(=O)NC3CC3)[n-]c2=O)cc1 ZINC000032778619 441571767 /nfs/dbraw/zinc/57/17/67/441571767.db2.gz XVENILYLUMJKLK-UHFFFAOYSA-N -1 0 332.385 1.624 50 0 EDAARM O=C([O-])C1(NC(=O)CNC(=O)c2ccccc2)Cc2ccccc2C1 ZINC000089823013 441583239 /nfs/dbraw/zinc/58/32/39/441583239.db2.gz MEUOPXOYBQWOLA-UHFFFAOYSA-N -1 0 338.363 1.155 50 0 EDAARM C[C@H]1Oc2ccccc2N(CCC(=O)N2CCC[C@@H]2C(=O)[O-])C1=O ZINC000033520839 441596359 /nfs/dbraw/zinc/59/63/59/441596359.db2.gz MOBRNHKVZGKVPU-DGCLKSJQSA-N -1 0 332.356 1.266 50 0 EDAARM COCCc1noc(CN(C)[C@@H](C(=O)[O-])c2cccc3c2OCC3)n1 ZINC000095497902 441937917 /nfs/dbraw/zinc/93/79/17/441937917.db2.gz WFEUQEMFLUHVGX-OAHLLOKOSA-N -1 0 347.371 1.451 50 0 EDAARM Cc1ccccc1[C@H]1[C@H](C(=O)[O-])CCC(=O)N1CCN1CCOCC1 ZINC000069492965 441952286 /nfs/dbraw/zinc/95/22/86/441952286.db2.gz HGUXBEQHFMGUEZ-AEFFLSMTSA-N -1 0 346.427 1.692 50 0 EDAARM O=C([O-])[C@H]1CCC(=O)N(CCNc2ncccn2)[C@H]1c1cscn1 ZINC000069585681 441981584 /nfs/dbraw/zinc/98/15/84/441981584.db2.gz NOLQAVIUKLDVMF-GXFFZTMASA-N -1 0 347.400 1.410 50 0 EDAARM Cn1cnc(S(=O)(=O)[N-]c2ccc3c(c2)N(C(=O)C2CC2)CC3)c1 ZINC000096025680 441982856 /nfs/dbraw/zinc/98/28/56/441982856.db2.gz GXIBJVPAKNVRDH-UHFFFAOYSA-N -1 0 346.412 1.520 50 0 EDAARM Cc1cccc(S(=O)(=O)[N-]c2cnc(N(C)C)nc2N(C)C)c1 ZINC000096098779 442027237 /nfs/dbraw/zinc/02/72/37/442027237.db2.gz SRNCOEVNYZEFFG-UHFFFAOYSA-N -1 0 335.433 1.718 50 0 EDAARM COc1ccc(S(=O)(=O)[N-]c2cnn([C@H]3CCOC3)c2)cc1F ZINC000096123293 442039930 /nfs/dbraw/zinc/03/99/30/442039930.db2.gz MEJHMYZTUFNMKU-NSHDSACASA-N -1 0 341.364 1.793 50 0 EDAARM O=C(Cc1ccoc1)[N-]S(=O)(=O)N1CCc2sccc2C1 ZINC000097164126 442178123 /nfs/dbraw/zinc/17/81/23/442178123.db2.gz CYCZUGHQXGHYCT-UHFFFAOYSA-N -1 0 326.399 1.303 50 0 EDAARM O=C(NC[C@H](O)C(F)(F)F)c1cc(F)cc(Br)c1[O-] ZINC000170088588 442228875 /nfs/dbraw/zinc/22/88/75/442228875.db2.gz NEDHJTIHXVWANE-ZETCQYMHSA-N -1 0 346.074 1.947 50 0 EDAARM CC[C@H](NC(=O)[C@@H]1CC(=O)N(c2cc(C)ccc2OC)C1)C(=O)[O-] ZINC000170575727 442232935 /nfs/dbraw/zinc/23/29/35/442232935.db2.gz WQUXYCROJMQTIA-NEPJUHHUSA-N -1 0 334.372 1.336 50 0 EDAARM O=C(Nc1[n-]c(=O)ncc1F)c1cnn(-c2ccc(F)cc2F)c1 ZINC000170605942 442234974 /nfs/dbraw/zinc/23/49/74/442234974.db2.gz PMGMNCMOJIMKQX-UHFFFAOYSA-N -1 0 335.245 1.625 50 0 EDAARM Cn1c(=O)c2ccc(C(=O)N3C[C@@H]4[C@H](C3)C4(C)C)cc2[n-]c1=S ZINC000170640998 442240340 /nfs/dbraw/zinc/24/03/40/442240340.db2.gz RGPQBRKBHIIBON-TXEJJXNPSA-N -1 0 329.425 1.950 50 0 EDAARM CCOC(=O)c1c[n-]n(C2CCN(c3cc(C)nc(C)n3)CC2)c1=N ZINC000195571618 443034251 /nfs/dbraw/zinc/03/42/51/443034251.db2.gz FHHJKBMAYUXTIL-UHFFFAOYSA-N -1 0 344.419 1.721 50 0 EDAARM CC(C)Oc1ccc(C(=O)N[C@@H]2COCC[C@@H]2OCC(=O)[O-])cc1 ZINC000223713596 443092789 /nfs/dbraw/zinc/09/27/89/443092789.db2.gz JOGLUCNMMSFIBG-CABCVRRESA-N -1 0 337.372 1.462 50 0 EDAARM O=C([O-])CCNC(=O)C1CCN(C(=O)/C=C\c2ccccc2)CC1 ZINC000222052273 443075006 /nfs/dbraw/zinc/07/50/06/443075006.db2.gz MJZKANMCULVOHV-SREVYHEPSA-N -1 0 330.384 1.529 50 0 EDAARM COc1ccc(F)cc1[C@@H](NC(=O)c1cc(=O)[n-]o1)[C@H]1C[C@H](O)C1 ZINC000223109090 443085197 /nfs/dbraw/zinc/08/51/97/443085197.db2.gz WSPVXNOIYWIKDA-FLBPPNCPSA-N -1 0 336.319 1.770 50 0 EDAARM COC(=O)c1ccc(S(=O)(=O)[N-]c2ccnn2C)cc1OC ZINC000225632284 443116619 /nfs/dbraw/zinc/11/66/19/443116619.db2.gz SWRDVVYFTQLQHW-UHFFFAOYSA-N -1 0 325.346 1.016 50 0 EDAARM CN(CCCC(=O)[O-])C(=O)[C@@H]1CCN(c2cc(F)cc(F)c2)C1=O ZINC000237274876 443167225 /nfs/dbraw/zinc/16/72/25/443167225.db2.gz UCRKCSNCDXAJMY-ZDUSSCGKSA-N -1 0 340.326 1.641 50 0 EDAARM O=C([O-])CCN1CCN(C(=O)COc2ccc(Cl)cc2)CC1 ZINC000238162467 443196504 /nfs/dbraw/zinc/19/65/04/443196504.db2.gz UCMXFJWTKBWCSH-UHFFFAOYSA-N -1 0 326.780 1.338 50 0 EDAARM CC(C)C[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000261815717 443170741 /nfs/dbraw/zinc/17/07/41/443170741.db2.gz WGPBGQOWNGOLFY-VHSXEESVSA-N -1 0 338.326 1.260 50 0 EDAARM C[C@](NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1)(C(=O)[O-])C1CC1 ZINC000237448276 443171831 /nfs/dbraw/zinc/17/18/31/443171831.db2.gz QRPBXYIWOYVZEG-SCLBCKFNSA-N -1 0 330.384 1.405 50 0 EDAARM Cc1c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)cnn1-c1ccccc1F ZINC000237759835 443182700 /nfs/dbraw/zinc/18/27/00/443182700.db2.gz KFFUTDHVADLLIG-CQSZACIVSA-N -1 0 333.319 1.245 50 0 EDAARM CN1C[C@H](C(=O)NCc2ccc(OCCCC(=O)[O-])cc2)CC1=O ZINC000262435583 443194628 /nfs/dbraw/zinc/19/46/28/443194628.db2.gz LEXSNYQODRYKNJ-CYBMUJFWSA-N -1 0 334.372 1.025 50 0 EDAARM CC[C@@H](NC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000268934873 443150967 /nfs/dbraw/zinc/15/09/67/443150967.db2.gz MXXBJGOAAHKZIH-SNVBAGLBSA-N -1 0 332.312 1.706 50 0 EDAARM CN(CCCOc1ccc(F)cc1)C(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237098815 443158135 /nfs/dbraw/zinc/15/81/35/443158135.db2.gz RKKOALRKDJZLKG-OAHLLOKOSA-N -1 0 338.379 1.602 50 0 EDAARM COc1cc2[nH]c(CCCNC(=O)[C@H]3C[C@H]3C(=O)[O-])cc2c(OC)c1 ZINC000268959790 443159697 /nfs/dbraw/zinc/15/96/97/443159697.db2.gz XZAFNXZCGAIFEM-QWHCGFSZSA-N -1 0 346.383 1.955 50 0 EDAARM O=C(Cn1ncc2ccccc2c1=O)NC[C@H]1CC[C@H](C(=O)[O-])CC1 ZINC000238899401 443198089 /nfs/dbraw/zinc/19/80/89/443198089.db2.gz GHFKXPLFBDGJND-JOCQHMNTSA-N -1 0 343.383 1.404 50 0 EDAARM O=C([O-])c1n[nH]c2c1CN(Cc1cc(-c3ccncc3)no1)CC2 ZINC000240971752 443205400 /nfs/dbraw/zinc/20/54/00/443205400.db2.gz UCDAESBFBLEHFT-UHFFFAOYSA-N -1 0 325.328 1.716 50 0 EDAARM COc1ccc(C(=O)N[C@H](C(=O)[O-])C(C)C)cc1N1CCNC1=O ZINC000262724792 443209395 /nfs/dbraw/zinc/20/93/95/443209395.db2.gz YGVNGUKBEUQPMP-ZDUSSCGKSA-N -1 0 335.360 1.064 50 0 EDAARM Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2CCO[C@H](C(=O)[O-])C2)c1 ZINC000262906895 443217130 /nfs/dbraw/zinc/21/71/30/443217130.db2.gz CCVIISFCMAYLIZ-GWCFXTLKSA-N -1 0 327.764 1.728 50 0 EDAARM COc1ccc(Cl)c(S(=O)(=O)N2[C@@H](C)CC[C@H]2C(=O)[O-])c1 ZINC000283891305 443757401 /nfs/dbraw/zinc/75/74/01/443757401.db2.gz JOJBQGKWUNVNOT-KWQFWETISA-N -1 0 333.793 1.975 50 0 EDAARM Cc1nccn1CCN(C)C(=O)c1cn(C(C)C)cc(C(=O)[O-])c1=O ZINC000426486022 447454533 /nfs/dbraw/zinc/45/45/33/447454533.db2.gz QNWUYOCBJGOKBF-UHFFFAOYSA-N -1 0 346.387 1.405 50 0 EDAARM COC(=O)c1cn(Nc2ccccc2C(=O)[O-])cc2c(=O)[nH]nc1-2 ZINC000524734701 447945955 /nfs/dbraw/zinc/94/59/55/447945955.db2.gz FDTLQPIVUGZVPX-UHFFFAOYSA-N -1 0 328.284 1.449 50 0 EDAARM O=C([O-])c1ccccc1C(=O)NC1CCN(C(=O)N2CCCC2)CC1 ZINC000534676299 448465811 /nfs/dbraw/zinc/46/58/11/448465811.db2.gz XMVVLCKHSSRKLT-UHFFFAOYSA-N -1 0 345.399 1.795 50 0 EDAARM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)[C@@H]1COCCO1 ZINC000585134258 448704836 /nfs/dbraw/zinc/70/48/36/448704836.db2.gz KDLXBIZJXVILBT-HOTGVXAUSA-N -1 0 329.352 1.367 50 0 EDAARM CC(=O)c1ccc(S(=O)(=O)[N-]C(=O)C=Cc2ccccn2)cc1 ZINC000606442268 449467352 /nfs/dbraw/zinc/46/73/52/449467352.db2.gz SEZXNFDCAQGZMO-YFHOEESVSA-N -1 0 330.365 1.803 50 0 EDAARM Cc1cccc(-n2ncc3c2nc2n(c3=O)C[C@@H](CC(=O)[O-])S2)c1 ZINC000618255073 450103144 /nfs/dbraw/zinc/10/31/44/450103144.db2.gz JSNWBVZYSSLVHE-LLVKDONJSA-N -1 0 342.380 1.840 50 0 EDAARM O=C([O-])CNC(=O)Cc1ccc(NC(=O)[C@]23CCC[C@H]2OCC3)cc1 ZINC000630133901 451010443 /nfs/dbraw/zinc/01/04/43/451010443.db2.gz KBQPICUOBDJZTN-KDOFPFPSSA-N -1 0 346.383 1.328 50 0 EDAARM O=C([O-])[C@@H](Cc1ccncc1)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000655600312 452420658 /nfs/dbraw/zinc/42/06/58/452420658.db2.gz CMOUWSPJCBRHCU-HZPDHXFCSA-N -1 0 326.352 1.508 50 0 EDAARM COc1cc([N-]S(=O)(=O)CCCCF)c(C(N)=O)cc1OC ZINC000253425207 522754879 /nfs/dbraw/zinc/75/48/79/522754879.db2.gz QURAOYWQPWPESP-UHFFFAOYSA-N -1 0 334.369 1.294 50 0 EDAARM Cc1ccc(C(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1S(C)(=O)=O ZINC000268942518 526131026 /nfs/dbraw/zinc/13/10/26/526131026.db2.gz FQWQVTKDIVBBIY-HNNXBMFYSA-N -1 0 325.386 1.335 50 0 EDAARM COc1ccc(Cl)c(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])c1 ZINC000262680636 536542482 /nfs/dbraw/zinc/54/24/82/536542482.db2.gz SQCZWSBTRIMDPB-LLVKDONJSA-N -1 0 333.793 1.976 50 0 EDAARM CC[C@H](NC(=O)c1ccc(S(=O)(=O)C2CCCC2)cc1)C(=O)[O-] ZINC000262071535 535878517 /nfs/dbraw/zinc/87/85/17/535878517.db2.gz IUQICQBIXIVINB-AWEZNQCLSA-N -1 0 339.413 1.996 50 0 EDAARM COc1cc(C)cc(C)c1S(=O)(=O)N1C[C@@H](C)[C@H](C(=O)[O-])C1 ZINC000263162322 536632213 /nfs/dbraw/zinc/63/22/13/536632213.db2.gz QUEHWTRQXZPKOU-VXGBXAGGSA-N -1 0 327.402 1.653 50 0 EDAARM C[C@@]1(CS(=O)(=O)N2CCC[C@@]2(C)C(=O)[O-])CC1(Cl)Cl ZINC000864500196 596249960 /nfs/dbraw/zinc/24/99/60/596249960.db2.gz NERMSOMBFXAQLC-UWVGGRQHSA-N -1 0 330.233 1.839 50 0 EDAARM O=C([O-])[C@H]1CCN(S(=O)(=O)c2ccc(Br)cc2)C1 ZINC000062119864 214700100 /nfs/dbraw/zinc/70/01/00/214700100.db2.gz KZQOEFKQSVOJCK-QMMMGPOBSA-N -1 0 334.191 1.544 50 0 EDAARM 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O=C([O-])[C@@H]1COCCN1C(=O)c1cccc(-c2noc(C3CC3)n2)c1 ZINC000299753188 258006563 /nfs/dbraw/zinc/00/65/63/258006563.db2.gz XEEZPMODSFBOBT-ZDUSSCGKSA-N -1 0 343.339 1.540 50 0 EDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)c1cccc(-n2cncn2)c1 ZINC000299752807 258006907 /nfs/dbraw/zinc/00/69/07/258006907.db2.gz VNFUCYVZLOWHRP-KRWDZBQOSA-N -1 0 348.362 1.919 50 0 EDAARM CC(C)Oc1ncc(C(=O)N2CCOC[C@H]2C(=O)[O-])cc1Cl ZINC000299752206 258007156 /nfs/dbraw/zinc/00/71/56/258007156.db2.gz SWAOWHKHGZZSPF-NSHDSACASA-N -1 0 328.752 1.448 50 0 EDAARM COc1ccc(CNC(=O)CCOC[C@@H]2CCCO2)cc1C(=O)[O-] ZINC000299748018 258007972 /nfs/dbraw/zinc/00/79/72/258007972.db2.gz FVSYEJHWCQFIER-ZDUSSCGKSA-N -1 0 337.372 1.595 50 0 EDAARM O=C([O-])CNC(=O)[C@H](c1cccc(Br)c1)N1CCCC1 ZINC000299747448 258008207 /nfs/dbraw/zinc/00/82/07/258008207.db2.gz DASMLUJSJJDYFG-ZDUSSCGKSA-N -1 0 341.205 1.787 50 0 EDAARM O=C([O-])CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1COCCO1 ZINC000299747659 258008476 /nfs/dbraw/zinc/00/84/76/258008476.db2.gz DPDFZMIBPPIQLN-LBPRGKRZSA-N -1 0 347.289 1.534 50 0 EDAARM O=C([O-])c1ccc(CNC(=O)[C@@H]2CC(=O)N(Cc3ccccn3)C2)o1 ZINC000299742737 258009356 /nfs/dbraw/zinc/00/93/56/258009356.db2.gz ITUPZQAWPMXWIJ-LLVKDONJSA-N -1 0 343.339 1.038 50 0 EDAARM CCOc1ccc2c(c1)C[C@H](C(=O)N1CC[C@@](C)(C(=O)[O-])C1)CO2 ZINC000299742090 258009540 /nfs/dbraw/zinc/00/95/40/258009540.db2.gz GUEAILSJTRQTCH-SCLBCKFNSA-N -1 0 333.384 1.960 50 0 EDAARM CC(C)(C(=O)N1C[C@H](CC(=O)[O-])[C@H](c2cn[nH]n2)C1)n1cccc1 ZINC000299790917 258096702 /nfs/dbraw/zinc/09/67/02/258096702.db2.gz CWVPCGKOZYGTKU-NWDGAFQWSA-N -1 0 331.376 1.058 50 0 EDAARM Cn1c(=O)c2ccc(C(=O)NCCOCC3CC3)cc2[n-]c1=S ZINC000170623158 258071201 /nfs/dbraw/zinc/07/12/01/258071201.db2.gz IJXIRDPYBJOPES-UHFFFAOYSA-N -1 0 333.413 1.379 50 0 EDAARM Cc1cnn(-c2ccc(C(=O)N(CC(=O)[O-])C3CCOCC3)cc2)c1 ZINC000237913191 287706979 /nfs/dbraw/zinc/70/69/79/287706979.db2.gz DKBYVVJJMHFHMV-UHFFFAOYSA-N -1 0 343.383 1.887 50 0 EDAARM CC(C)(C(=O)N1CCn2nc(CCC(=O)[O-])cc2C1)n1cccc1 ZINC000072429918 278269651 /nfs/dbraw/zinc/26/96/51/278269651.db2.gz NFZSJELFRBKNDN-UHFFFAOYSA-N -1 0 330.388 1.479 50 0 EDAARM CC(C)Cn1nc(C(=O)[O-])c2c1CCN(C(=O)c1ccc(=O)[nH]c1)C2 ZINC000067850937 279260624 /nfs/dbraw/zinc/26/06/24/279260624.db2.gz CAVLWBPSRQWYCG-UHFFFAOYSA-N -1 0 344.371 1.124 50 0 EDAARM CCn1cncc1S(=O)(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21 ZINC000262375545 288749371 /nfs/dbraw/zinc/74/93/71/288749371.db2.gz GCHYHBIFTFXQCR-WOPDTQHZSA-N -1 0 327.406 1.309 50 0 EDAARM COc1ncnc(N(C)C)c1[N-]S(=O)(=O)c1ccc2c(c1)CCC2 ZINC000119792975 295468831 /nfs/dbraw/zinc/46/88/31/295468831.db2.gz PBGBGSQCAILBCF-UHFFFAOYSA-N -1 0 348.428 1.841 50 0 EDAARM C[C@H](CNC(=O)[C@H]1CCN(c2cc(F)cc(F)c2)C1=O)C(=O)[O-] ZINC000237471066 298761713 /nfs/dbraw/zinc/76/17/13/298761713.db2.gz YQCOOSPMKXXYOY-PRHODGIISA-N -1 0 326.299 1.155 50 0 EDAARM O=C([O-])CCCC(=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000000147561 440802349 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O=C([O-])c1ccccc1CC(=O)NCc1nnc2n1CCCCC2 ZINC000044980289 440936628 /nfs/dbraw/zinc/93/66/28/440936628.db2.gz VGQWWIJHKCCECA-UHFFFAOYSA-N -1 0 328.372 1.562 50 0 EDAARM COc1ccc2c(C)c(CCC(=O)N[C@H](C)C(=O)[O-])c(=O)oc2c1 ZINC000005956835 440974202 /nfs/dbraw/zinc/97/42/02/440974202.db2.gz SDSWYPQQXDOHLP-SNVBAGLBSA-N -1 0 333.340 1.632 50 0 EDAARM CCn1nc(C)c2c1cnn2CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-] ZINC000057279854 441104671 /nfs/dbraw/zinc/10/46/71/441104671.db2.gz VHOQZHCWVSVLNZ-CHWSQXEVSA-N -1 0 345.403 1.344 50 0 EDAARM O=C([O-])c1ccc(S(=O)(=O)NCc2ccc3c(c2)OCCO3)cc1 ZINC000013071905 441153214 /nfs/dbraw/zinc/15/32/14/441153214.db2.gz IZCRPZHRLOEOOK-UHFFFAOYSA-N -1 0 349.364 1.635 50 0 EDAARM COCCNC(=O)[C@H](C)Oc1ccc(C(=O)[O-])cc1Br ZINC000013316406 441156643 /nfs/dbraw/zinc/15/66/43/441156643.db2.gz XKJWXWIXQSEJCZ-QMMMGPOBSA-N -1 0 346.177 1.677 50 0 EDAARM CS(=O)(=O)c1ccccc1C(=O)NCCc1ccc(C(=O)[O-])cc1 ZINC000013441907 441158917 /nfs/dbraw/zinc/15/89/17/441158917.db2.gz NWSKBFWEYNFWMS-UHFFFAOYSA-N -1 0 347.392 1.761 50 0 EDAARM Nc1cc(S(=O)(=O)N2CCCC2)ccc1NCCCC(=O)[O-] ZINC000015775160 441210156 /nfs/dbraw/zinc/21/01/56/441210156.db2.gz QHSWGLRUKKBDJD-UHFFFAOYSA-N -1 0 327.406 1.330 50 0 EDAARM CCOc1cc(S(=O)(=O)[N-]c2nnc[nH]2)ccc1Br ZINC000015880002 441212615 /nfs/dbraw/zinc/21/26/15/441212615.db2.gz KXXOLPCRTDYGEC-UHFFFAOYSA-N -1 0 347.194 1.767 50 0 EDAARM C[C@@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cccnc2)C1=O ZINC000023946232 441301180 /nfs/dbraw/zinc/30/11/80/441301180.db2.gz AUKPPGDMBNMWTQ-SFHVURJKSA-N -1 0 338.367 1.670 50 0 EDAARM Cc1ccc(-c2nc(C(=O)[N-]N3CC(=O)NC3=O)cs2)c(C)c1 ZINC000064022639 441362876 /nfs/dbraw/zinc/36/28/76/441362876.db2.gz NSDRKLJHTXIIRI-UHFFFAOYSA-N -1 0 330.369 1.624 50 0 EDAARM CC(C)(C)N1C(=O)[N-]C(=O)C(=NNc2ccc([N+](=O)[O-])cc2)C1=O ZINC000107433250 441416216 /nfs/dbraw/zinc/41/62/16/441416216.db2.gz UKJYNCFGLDTEHA-LICLKQGHSA-N -1 0 333.304 1.240 50 0 EDAARM CN(C)C(=O)Sc1cccc([N-]S(=O)(=O)c2cnn(C)c2)c1 ZINC000065518955 441450234 /nfs/dbraw/zinc/45/02/34/441450234.db2.gz GPVLZPPLWYYRJO-UHFFFAOYSA-N -1 0 340.430 1.995 50 0 EDAARM Cc1ccccc1S([O-])=CC(=O)N[C@H](C)C(=O)N1CCCCC1 ZINC000089696838 441571500 /nfs/dbraw/zinc/57/15/00/441571500.db2.gz KLYYMWWAXLXUCI-QKFKETGDSA-N -1 0 336.457 1.620 50 0 EDAARM O=C([O-])[C@@H](NC(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C1CC1 ZINC000089853289 441586897 /nfs/dbraw/zinc/58/68/97/441586897.db2.gz LZUXDPUMKVRRNT-ZDUSSCGKSA-N -1 0 326.356 1.738 50 0 EDAARM CC(=O)Nc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1 ZINC000041670382 441668092 /nfs/dbraw/zinc/66/80/92/441668092.db2.gz YVGHMXVKTUMQOX-UHFFFAOYSA-N -1 0 329.312 1.144 50 0 EDAARM COc1ccc(OC)c(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)c1 ZINC000041670354 441668282 /nfs/dbraw/zinc/66/82/82/441668282.db2.gz HGIJDXANYFPZOK-UHFFFAOYSA-N -1 0 332.312 1.202 50 0 EDAARM O=C(CCc1cc(=O)[n-]o1)N1CCC[C@H](OCc2cccnc2)C1 ZINC000077540791 441801016 /nfs/dbraw/zinc/80/10/16/441801016.db2.gz AUZLEIUJQCTGAT-HNNXBMFYSA-N -1 0 331.372 1.916 50 0 EDAARM Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000069527933 441964908 /nfs/dbraw/zinc/96/49/08/441964908.db2.gz XHRXWCSEKHXHCA-UHFFFAOYSA-N -1 0 341.371 1.952 50 0 EDAARM O=S(=O)(CCCc1ccccc1Br)c1cnn[n-]1 ZINC000096009380 441980251 /nfs/dbraw/zinc/98/02/51/441980251.db2.gz ATWPBZMKSPBJCZ-UHFFFAOYSA-N -1 0 330.207 1.974 50 0 EDAARM C[C@H](CN(C)S(=O)(=O)Cc1ccccc1Cl)c1nnn[n-]1 ZINC000170598974 442233693 /nfs/dbraw/zinc/23/36/93/442233693.db2.gz GQWSOJXCPAOVSS-SECBINFHSA-N -1 0 329.813 1.418 50 0 EDAARM CCOC(=O)c1cnc([N-]S(=O)(=O)c2ccccc2F)n1C ZINC000170609239 442236037 /nfs/dbraw/zinc/23/60/37/442236037.db2.gz BYHVGORITBLCMD-UHFFFAOYSA-N -1 0 327.337 1.537 50 0 EDAARM CCO[C@@H]1C[C@](NC(=O)c2[nH]nc3ccccc32)(C(=O)[O-])C1(C)C ZINC000193025190 442706111 /nfs/dbraw/zinc/70/61/11/442706111.db2.gz RGDHENLWKSZVGH-PXAZEXFGSA-N -1 0 331.372 1.951 50 0 EDAARM C[C@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cn1 ZINC000252510906 443038316 /nfs/dbraw/zinc/03/83/16/443038316.db2.gz ZRDHQQQJKVYESW-ZYHUDNBSSA-N -1 0 346.391 1.942 50 0 EDAARM C[C@H](CNC(=O)[C@@]1(C)CCCN1C(=O)c1ccccc1)CC(=O)[O-] ZINC000252550880 443042579 /nfs/dbraw/zinc/04/25/79/443042579.db2.gz SZOXRPHZNGSTPF-SCLBCKFNSA-N -1 0 332.400 1.908 50 0 EDAARM O=C(N[C@@H](c1nnn[n-]1)c1ccc(Cl)c(F)c1)c1cnns1 ZINC000253421166 443065021 /nfs/dbraw/zinc/06/50/21/443065021.db2.gz RDCSDGTZBPCFCE-SECBINFHSA-N -1 0 339.743 1.363 50 0 EDAARM CCC(=O)[N-]S(=O)(=O)c1cc(F)c(F)c(Br)c1 ZINC000225473094 443106019 /nfs/dbraw/zinc/10/60/19/443106019.db2.gz TYOAJGGLUSWYAB-UHFFFAOYSA-N -1 0 328.134 1.942 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C/c1cc2c(c(Cl)c1)OCO2 ZINC000268997255 443169509 /nfs/dbraw/zinc/16/95/09/443169509.db2.gz WQKGRDXILSSUBR-FMBMQGQPSA-N -1 0 339.731 1.394 50 0 EDAARM Cc1ccc(CN2C[C@@H](C(=O)N(C)C[C@H](C)C(=O)[O-])CC2=O)cc1 ZINC000237392528 443170845 /nfs/dbraw/zinc/17/08/45/443170845.db2.gz HCLCGKJYKZQTDP-ZFWWWQNUSA-N -1 0 332.400 1.523 50 0 EDAARM Cc1nn(-c2ccccc2)c(C)c1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000237833532 443183961 /nfs/dbraw/zinc/18/39/61/443183961.db2.gz KLZBEQIQBMAHKZ-CQSZACIVSA-N -1 0 329.356 1.415 50 0 EDAARM COc1nc(C)ccc1C(=O)N1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC000263102657 443224832 /nfs/dbraw/zinc/22/48/32/443224832.db2.gz UEHNQJWGIOTHMD-ZDUSSCGKSA-N -1 0 332.278 1.878 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)CCc2nc(-c3cccs3)no2)CCO1 ZINC000262895427 443215725 /nfs/dbraw/zinc/21/57/25/443215725.db2.gz AUIGXXZEKOOPGQ-SECBINFHSA-N -1 0 337.357 1.043 50 0 EDAARM CC(C)(C(=O)N1CCO[C@H](C(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000262935230 443218031 /nfs/dbraw/zinc/21/80/31/443218031.db2.gz GXUIJLAWRHBIBA-AWEZNQCLSA-N -1 0 335.356 1.047 50 0 EDAARM C[C@]12CCC(=O)N1[C@H](C(=O)NCCc1cccc(C(=O)[O-])c1)CS2 ZINC000271928598 443518440 /nfs/dbraw/zinc/51/84/40/443518440.db2.gz GQBCUBRQAQEPKB-GUYCJALGSA-N -1 0 348.424 1.498 50 0 EDAARM C[C@@H]1CCn2ncc(C(=O)N[C@H](Cc3ccccc3)C(=O)[O-])c2C1 ZINC000565540404 321190468 /nfs/dbraw/zinc/19/04/68/321190468.db2.gz UEGXYPIEBJHARG-IUODEOHRSA-N -1 0 327.384 1.891 50 0 EDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCN1C(=O)CCc2ccccc21 ZINC000299743224 444131279 /nfs/dbraw/zinc/13/12/79/444131279.db2.gz KDUCROWROMIUCA-HNNXBMFYSA-N -1 0 330.384 1.822 50 0 EDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)CCC(=O)N1CCCCCC1 ZINC000426599008 447479131 /nfs/dbraw/zinc/47/91/31/447479131.db2.gz SKFMQYJEUACPMJ-INIZCTEOSA-N -1 0 346.427 1.981 50 0 EDAARM CN1C[C@@H]2C[C@H]1CN2c1ccc2c(=O)c(C(=O)[O-])cn(C3CC3)c2c1 ZINC000390822419 447497627 /nfs/dbraw/zinc/49/76/27/447497627.db2.gz VVUYWJSYRYXUEJ-KBPBESRZSA-N -1 0 339.395 1.927 50 0 EDAARM O=C([O-])[C@H](Cc1cccc2ccccc21)NC(=O)[C@H]1COCCO1 ZINC000585134260 448704772 /nfs/dbraw/zinc/70/47/72/448704772.db2.gz KDLXBIZJXVILBT-JKSUJKDBSA-N -1 0 329.352 1.367 50 0 EDAARM COCCC1(C(=O)[N-]S(=O)(=O)c2cnc(Cl)n2C)CCC1 ZINC000585135934 448706837 /nfs/dbraw/zinc/70/68/37/448706837.db2.gz JJDCPOMVNKAOQV-UHFFFAOYSA-N -1 0 335.813 1.085 50 0 EDAARM CCn1ncc(CNC(=O)N=c2nc(-c3ccsc3)[n-]s2)n1 ZINC000529058335 448748424 /nfs/dbraw/zinc/74/84/24/448748424.db2.gz KDVPRCSQAKZLRJ-UHFFFAOYSA-N -1 0 335.418 1.622 50 0 EDAARM Cc1ccc(NC(=O)N[C@@H]2CC[C@H](C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000647703466 452433366 /nfs/dbraw/zinc/43/33/66/452433366.db2.gz DUKXJXLNIADFIA-WDEREUQCSA-N -1 0 340.401 1.773 50 0 EDAARM CO[C@H](CS(=O)(=O)[N-]c1cccc2n[nH]cc21)[C@H]1CCOC1 ZINC000656617628 453325885 /nfs/dbraw/zinc/32/58/85/453325885.db2.gz OPLVIYFAHLJXFC-IINYFYTJSA-N -1 0 325.390 1.356 50 0 EDAARM CC(C)[C@H](Cn1nccn1)NS(=O)(=O)c1ccc(Cl)s1 ZINC000238875286 486171062 /nfs/dbraw/zinc/17/10/62/486171062.db2.gz NWSTYRZYKWGQMP-VIFPVBQESA-N -1 0 334.854 1.996 50 0 EDAARM Cn1cc(S(=O)(=O)[N-]c2cnn(Cc3cccc(F)c3)c2)cn1 ZINC000002804179 486486394 /nfs/dbraw/zinc/48/63/94/486486394.db2.gz BEJRRAFCRGTOIK-UHFFFAOYSA-N -1 0 335.364 1.605 50 0 EDAARM CC(C)(C)OC(=O)N1CCN(c2cccc(F)n2)C[C@H]1C(=O)[O-] ZINC000169725394 526409558 /nfs/dbraw/zinc/40/95/58/526409558.db2.gz UGMNGHYVOPEUJX-JTQLQIEISA-N -1 0 325.340 1.731 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)c2cc(=O)[nH]c3cc(F)ccc32)CCO1 ZINC000262750277 527629867 /nfs/dbraw/zinc/62/98/67/527629867.db2.gz KHAHUVCIZHLWET-SNVBAGLBSA-N -1 0 334.303 1.395 50 0 EDAARM CCNC(=O)N1CC[C@@H](NC(=O)c2ccc3[n-]c(=S)oc3c2)C1 ZINC000154859642 528142373 /nfs/dbraw/zinc/14/23/73/528142373.db2.gz SOIUCKGTWHZYAX-SNVBAGLBSA-N -1 0 334.401 1.650 50 0 EDAARM CC1(C)S[C@@H]2[C@@H](NC(=O)c3ccccc3F)C(=O)N2[C@@H]1C(=O)[O-] ZINC000226376956 535015967 /nfs/dbraw/zinc/01/59/67/535015967.db2.gz KMEXQIYEMOCEMV-OPQQBVKSSA-N -1 0 338.360 1.071 50 0 EDAARM CC[C@](CNC(=O)c1c(C)c(C)n[nH]c1=O)(C(=O)[O-])c1ccccc1 ZINC000262895115 535869250 /nfs/dbraw/zinc/86/92/50/535869250.db2.gz CHZZTECFGRQSIK-GOSISDBHSA-N -1 0 343.383 1.549 50 0 EDAARM COc1ccc(-c2nnc(CNC(=O)N3CC[C@H](C(=O)[O-])C3)[nH]2)cc1 ZINC000263194576 536516793 /nfs/dbraw/zinc/51/67/93/536516793.db2.gz GTUZGZTZZIIWAN-NSHDSACASA-N -1 0 345.359 1.096 50 0 EDAARM Cc1nn(CC(=O)[O-])c(C)c1NC(=O)CC(=O)Nc1cccc(C)c1 ZINC000055133633 214277335 /nfs/dbraw/zinc/27/73/35/214277335.db2.gz KDCHMVSIMYYSGG-UHFFFAOYSA-N -1 0 344.371 1.860 50 0 EDAARM Cc1cccnc1NCCNC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055131252 214277646 /nfs/dbraw/zinc/27/76/46/214277646.db2.gz OENOMYLKCPAMIY-UHFFFAOYSA-N -1 0 328.372 1.728 50 0 EDAARM O=C([O-])Cn1nc(-c2ccncc2)nc1-c1scc2c1OCCO2 ZINC000097831146 219058665 /nfs/dbraw/zinc/05/86/65/219058665.db2.gz KUMUZXWCMDNAHN-UHFFFAOYSA-N -1 0 344.352 1.924 50 0 EDAARM COC(=O)[C@@H](NC(=O)CSc1nnc(C)c(=O)[n-]1)c1ccccc1 ZINC000004625329 210233415 /nfs/dbraw/zinc/23/34/15/210233415.db2.gz DVYHJLJSSGADBO-LBPRGKRZSA-N -1 0 348.384 1.008 50 0 EDAARM CC(C)[C@H](NC(=O)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)[O-] ZINC000049545063 214016532 /nfs/dbraw/zinc/01/65/32/214016532.db2.gz PSWFLIUHFSQEEF-INIZCTEOSA-N -1 0 347.346 1.275 50 0 EDAARM COC(=O)C1=C([O-])c2c(C)c(C(=O)OC[C@H]3CCCO3)[nH]c2C[C@@H]1C ZINC000004488745 210202620 /nfs/dbraw/zinc/20/26/20/210202620.db2.gz ONXLEUZXCQNZNJ-NDMJEZRESA-N -1 0 349.383 1.823 50 0 EDAARM CCOC(=O)Cn1[nH][n-]c2c(=O)n(-c3ccc(C(C)C)cc3)c(=O)c1=2 ZINC000101278286 219121493 /nfs/dbraw/zinc/12/14/93/219121493.db2.gz SQJRNDVGQZZUCX-CABCVRRESA-N -1 0 344.371 1.666 50 0 EDAARM COc1ccc(OC)c(S(=O)(=O)[N-]C(=O)c2csc(C)n2)c1 ZINC000065643684 214989649 /nfs/dbraw/zinc/98/96/49/214989649.db2.gz HWLOIEZRNZWEKL-UHFFFAOYSA-N -1 0 342.398 1.587 50 0 EDAARM Cc1n[nH]c(C)c1[C@@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)[O-] ZINC000067587194 215165029 /nfs/dbraw/zinc/16/50/29/215165029.db2.gz XGYMIXMSJOJZCW-MYSGNRETSA-N -1 0 335.385 1.743 50 0 EDAARM CNC(=O)c1cccc(-n2c(COCC(=O)[O-])nc3ccccc32)c1 ZINC000067692097 215188327 /nfs/dbraw/zinc/18/83/27/215188327.db2.gz LDGWJDSUFUEAJY-UHFFFAOYSA-N -1 0 339.351 1.986 50 0 EDAARM COc1ccc(C(=O)N[C@@H](C(=O)[O-])c2c(C)n[nH]c2C)c(F)c1F ZINC000067772315 215209889 /nfs/dbraw/zinc/20/98/89/215209889.db2.gz JDVJULAIMSHBAV-CYBMUJFWSA-N -1 0 339.298 1.869 50 0 EDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 ZINC000002737585 209899884 /nfs/dbraw/zinc/89/98/84/209899884.db2.gz HCHQDFNJHUCYKX-UHFFFAOYSA-N -1 0 332.381 1.693 50 0 EDAARM CC(C)(C)OC(=O)NC[C@@H](NC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002244306 209833921 /nfs/dbraw/zinc/83/39/21/209833921.db2.gz WJKGPJRAGHSOLM-GFCCVEGCSA-N -1 0 338.360 1.891 50 0 EDAARM Cc1nnsc1C(=O)[N-]c1nnc(Cc2ccc3c(c2)OCO3)o1 ZINC000036652545 213106954 /nfs/dbraw/zinc/10/69/54/213106954.db2.gz NRATVOUCTILVSM-UHFFFAOYSA-N -1 0 345.340 1.801 50 0 EDAARM Cc1noc(C)c1CN1CCN(C(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000071280460 215750361 /nfs/dbraw/zinc/75/03/61/215750361.db2.gz WXHKVPWGQZXPDE-KGLIPLIRSA-N -1 0 335.404 1.292 50 0 EDAARM NS(=O)(=O)c1cccc(NC(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000035347932 213022945 /nfs/dbraw/zinc/02/29/45/213022945.db2.gz RIYPAVPHPBBWBZ-UHFFFAOYSA-N -1 0 326.355 1.346 50 0 EDAARM CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)CC1 ZINC000034926396 213000001 /nfs/dbraw/zinc/00/00/01/213000001.db2.gz DGSOJHKMFRSUOX-QWRGUYRKSA-N -1 0 326.393 1.423 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2CCCO[C@H]2c2ccccc2)CCO1 ZINC000268938904 304077015 /nfs/dbraw/zinc/07/70/15/304077015.db2.gz DESODTFVOUNYTB-INMHGKMJSA-N -1 0 333.384 1.856 50 0 EDAARM Cc1nn(CC(=O)[O-])c(C)c1NS(=O)(=O)NCc1ccccc1 ZINC000071746016 215801893 /nfs/dbraw/zinc/80/18/93/215801893.db2.gz ZSKPLCOBEYUTOW-UHFFFAOYSA-N -1 0 338.389 1.031 50 0 EDAARM O=C([O-])c1ccccc1[C@@H]1CCN(C(=O)CCCn2cnnn2)C1 ZINC000072146262 216033477 /nfs/dbraw/zinc/03/34/77/216033477.db2.gz HRCBWMLXWKPLBB-GFCCVEGCSA-N -1 0 329.360 1.168 50 0 EDAARM O=C([O-])[C@H]1CC2(CN1C(=O)c1ccco1)CCN(C(=O)C1CC1)CC2 ZINC000072423911 216213328 /nfs/dbraw/zinc/21/33/28/216213328.db2.gz HCRGOZAFNLGKBH-CYBMUJFWSA-N -1 0 346.383 1.598 50 0 EDAARM CCC(=O)c1c([O-])[nH]c(=O)n(-c2cccc(C(F)(F)F)c2)c1=O ZINC000023226896 212360876 /nfs/dbraw/zinc/36/08/76/212360876.db2.gz UUCJLLPUJNTUNF-UHFFFAOYSA-N -1 0 328.246 1.843 50 0 EDAARM C[C@@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OC(C)(C)C)C(=O)[O-] ZINC000005322394 296097846 /nfs/dbraw/zinc/09/78/46/296097846.db2.gz CMZUWIZPTIOFJA-RISCZKNCSA-N -1 0 348.399 1.938 50 0 EDAARM C[C@H](C(=O)[O-])[C@@H](NC(=O)[C@H]1CC(=O)N(CC2CC2)C1)c1ccccc1 ZINC000230164992 242242035 /nfs/dbraw/zinc/24/20/35/242242035.db2.gz WUQYUCGIAHJKKC-YLQAJVPDSA-N -1 0 344.411 1.823 50 0 EDAARM C[C@@H](C(=O)N1CCC[C@H](C(=O)[O-])C1)n1nnc(-c2ccccc2)n1 ZINC000237454330 242647332 /nfs/dbraw/zinc/64/73/32/242647332.db2.gz LMPJREFUNMLMIO-AAEUAGOBSA-N -1 0 329.360 1.224 50 0 EDAARM Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237838552 242816902 /nfs/dbraw/zinc/81/69/02/242816902.db2.gz GHLQWDDRDVFFKV-AWEZNQCLSA-N -1 0 327.384 1.965 50 0 EDAARM Cc1ccc(CN2C[C@H](C(=O)N[C@@](C)(C(=O)[O-])C3CC3)CC2=O)cc1 ZINC000237730981 242773912 /nfs/dbraw/zinc/77/39/12/242773912.db2.gz KEHJLJTUHTXHQH-AUUYWEPGSA-N -1 0 344.411 1.713 50 0 EDAARM O=C([O-])[C@@H]1CS[C@@H](c2cc3c(cc2Br)OCO3)N1 ZINC000005730949 304137747 /nfs/dbraw/zinc/13/77/47/304137747.db2.gz UDKXIQLKNNYCCI-XVKPBYJWSA-N -1 0 332.175 1.966 50 0 EDAARM O=C([O-])c1ccc(C(=O)N2CCC[C@H]2C(=O)NCc2ccco2)s1 ZINC000237979012 139065618 /nfs/dbraw/zinc/06/56/18/139065618.db2.gz WZDGXHYHKWNBJW-NSHDSACASA-N -1 0 348.380 1.960 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)Cc2ccc(O)c(F)c2)C[C@H]1c1ccncc1 ZINC000091462563 218011273 /nfs/dbraw/zinc/01/12/73/218011273.db2.gz RBIHIAIVZDFOSS-UONOGXRCSA-N -1 0 344.342 1.796 50 0 EDAARM O=C([O-])[C@@H]1CC(=O)NC12CCN(C(=O)NCc1cccc(F)c1)CC2 ZINC000091644900 218037632 /nfs/dbraw/zinc/03/76/32/218037632.db2.gz SAYCOBQUIUPHFX-ZDUSSCGKSA-N -1 0 349.362 1.091 50 0 EDAARM COc1c([N-]S(=O)(=O)Cc2ccc(F)cc2F)c(C)nn1C ZINC000092864337 218177540 /nfs/dbraw/zinc/17/75/40/218177540.db2.gz IOMPGHOUVAEOCR-UHFFFAOYSA-N -1 0 331.344 1.957 50 0 EDAARM O=C(NCCCN1CCOC1=O)c1nn(-c2ccccc2F)cc1[O-] ZINC000095351183 218285521 /nfs/dbraw/zinc/28/55/21/218285521.db2.gz GQEGCGODDUIATB-UHFFFAOYSA-N -1 0 348.334 1.289 50 0 EDAARM Cc1nc(CCNC(=O)c2cn3ccsc3n2)sc1C(=O)[O-] ZINC000095356446 218290299 /nfs/dbraw/zinc/29/02/99/218290299.db2.gz FCFBVYNCLMDNPJ-UHFFFAOYSA-N -1 0 336.398 1.831 50 0 EDAARM CC(C)[C@H](NC(=O)CCCn1c(=O)[nH]c2ccccc2c1=O)C(=O)[O-] ZINC000008972268 211023887 /nfs/dbraw/zinc/02/38/87/211023887.db2.gz WOVSOUGNKRKOSI-AWEZNQCLSA-N -1 0 347.371 1.108 50 0 EDAARM O=C([O-])[C@@H](c1ccoc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000095374600 218307405 /nfs/dbraw/zinc/30/74/05/218307405.db2.gz OGONUIODXNXZBL-QGZVFWFLSA-N -1 0 344.367 1.952 50 0 EDAARM O=C([O-])c1cncnc1N1CCC(NC(=O)c2ccccc2)CC1 ZINC000095376271 218309273 /nfs/dbraw/zinc/30/92/73/218309273.db2.gz HYKLGCGHFZDYJF-UHFFFAOYSA-N -1 0 326.356 1.574 50 0 EDAARM O=C([O-])[C@H](c1ccc(CO)cc1)N1CCN(C2CCCC2)C(=O)C1 ZINC000095382175 218314484 /nfs/dbraw/zinc/31/44/84/218314484.db2.gz WVEOKOADJLBZQV-KRWDZBQOSA-N -1 0 332.400 1.391 50 0 EDAARM COc1ccc(C)cc1CN1[N-]S(=O)(=O)c2ccccc2C1=O ZINC000008718295 210988534 /nfs/dbraw/zinc/98/85/34/210988534.db2.gz MDDWJNUCJVFSBR-UHFFFAOYSA-N -1 0 332.381 1.853 50 0 EDAARM Cc1cccc(C(=O)N[C@H](C(=O)N2CCO[C@@H](C(=O)[O-])C2)C(C)C)c1 ZINC000095425353 218367673 /nfs/dbraw/zinc/36/76/73/218367673.db2.gz CGFLDRKZXQDOPA-CABCVRRESA-N -1 0 348.399 1.061 50 0 EDAARM Cc1cc(C)nc(N2C[C@H]3CN(C(=O)C4CCC4)C[C@@]3(C(=O)[O-])C2)n1 ZINC000096136526 218619310 /nfs/dbraw/zinc/61/93/10/218619310.db2.gz ANNIEITZDYQZGG-RDTXWAMCSA-N -1 0 344.415 1.243 50 0 EDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CNC(=O)c1cccs1 ZINC000262394689 139275907 /nfs/dbraw/zinc/27/59/07/139275907.db2.gz BSOXEJZDOFVSIL-UTUOFQBUSA-N -1 0 336.413 1.722 50 0 EDAARM C[C@@H](C(=O)[O-])N(C(=O)[C@H]1CCN(c2ccc(F)cc2)C1=O)C1CC1 ZINC000262605383 139289517 /nfs/dbraw/zinc/28/95/17/139289517.db2.gz KNSHJKJRUNPTPM-HZMBPMFUSA-N -1 0 334.347 1.643 50 0 EDAARM O=C([O-])c1cccc(C(=O)NCCN2CCc3ccccc3C2)n1 ZINC000262616326 139290436 /nfs/dbraw/zinc/29/04/36/139290436.db2.gz LXEVYGSHCZHBLN-UHFFFAOYSA-N -1 0 325.368 1.568 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)C1(c2cccc(F)c2)CCCC1 ZINC000152477443 223970745 /nfs/dbraw/zinc/97/07/45/223970745.db2.gz NWUDDIDNIFVGKF-UHFFFAOYSA-N -1 0 349.387 1.933 50 0 EDAARM O=C([O-])c1ccc(C(=O)N2CCNC(=O)[C@@H]2c2ccccc2)s1 ZINC000237981754 304234428 /nfs/dbraw/zinc/23/44/28/304234428.db2.gz ANIHOYFOVDFQCY-ZDUSSCGKSA-N -1 0 330.365 1.760 50 0 EDAARM C[C@@H](Cc1ccc(NC(=O)C[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)[O-] ZINC000262770004 139302443 /nfs/dbraw/zinc/30/24/43/139302443.db2.gz LGTIUACEXFHNSJ-AAEUAGOBSA-N -1 0 339.413 1.713 50 0 EDAARM C[C@@]1(NC(=O)c2csc(S(N)(=O)=O)c2)CCCC[C@H]1C(=O)[O-] ZINC000262853285 139308088 /nfs/dbraw/zinc/30/80/88/139308088.db2.gz SPXFRPBIDUFQHT-TVQRCGJNSA-N -1 0 346.430 1.159 50 0 EDAARM COc1cccc(OCC(=O)N2CC[C@](C(=O)[O-])(C(F)(F)F)C2)c1 ZINC000262893143 139310950 /nfs/dbraw/zinc/31/09/50/139310950.db2.gz DDVRJXQFGZGTKR-AWEZNQCLSA-N -1 0 347.289 1.940 50 0 EDAARM Cn1c2ccccc2n(CC(=O)N[C@]2(C)CCCC[C@H]2C(=O)[O-])c1=O ZINC000262895768 139311067 /nfs/dbraw/zinc/31/10/67/139311067.db2.gz ZJCWSEGSSWMLRC-KPZWWZAWSA-N -1 0 345.399 1.490 50 0 EDAARM CC(C)Oc1ccc(NC(=O)N2CC[C@](C)(C(=O)[O-])C2)cc1C(N)=O ZINC000263090501 139321910 /nfs/dbraw/zinc/32/19/10/139321910.db2.gz SJUMWJVXKXUQCW-KRWDZBQOSA-N -1 0 349.387 1.901 50 0 EDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)NCc2cccc(N3CCCC3=O)c2)C1 ZINC000263192728 139327622 /nfs/dbraw/zinc/32/76/22/139327622.db2.gz IULZFKDNICWPOT-UONOGXRCSA-N -1 0 330.384 1.931 50 0 EDAARM Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(N)=O)cc2)c1C ZINC000005134179 210397042 /nfs/dbraw/zinc/39/70/42/210397042.db2.gz JJYSDTBBSODBBR-UHFFFAOYSA-N -1 0 348.380 1.901 50 0 EDAARM COc1ccc(C2=NO[C@@H](CNC(=O)N3CC[C@H](C(=O)[O-])C3)C2)cc1 ZINC000263405290 139340212 /nfs/dbraw/zinc/34/02/12/139340212.db2.gz SYNHVUGURYFLSG-GXTWGEPZSA-N -1 0 347.371 1.304 50 0 EDAARM O=C([O-])c1ccccc1NC(=O)CN1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O ZINC000004592843 304270349 /nfs/dbraw/zinc/27/03/49/304270349.db2.gz VPVJMOXWDSXDAW-OWLDWWDNSA-N -1 0 342.351 1.354 50 0 EDAARM O=C([O-])CCNC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1 ZINC000016626882 257950492 /nfs/dbraw/zinc/95/04/92/257950492.db2.gz UGLQKUWTCHKLLK-UHFFFAOYSA-N -1 0 346.430 1.127 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)/C=C/c2ccc3c(c2)OCCO3)CCO1 ZINC000328595346 258043413 /nfs/dbraw/zinc/04/34/13/258043413.db2.gz RXEVEGNZWHGNRU-OHVSUOQFSA-N -1 0 333.340 1.173 50 0 EDAARM Cc1c(C(=O)N2CCCC[C@@H]2C(=O)[O-])nnn1-c1ccc(F)cc1 ZINC000408513211 257984710 /nfs/dbraw/zinc/98/47/10/257984710.db2.gz AZICFLKGKOVMMX-CYBMUJFWSA-N -1 0 332.335 1.794 50 0 EDAARM CC(C)c1noc(-c2ccccc2C(=O)N2CCO[C@@H](C(=O)[O-])C2)n1 ZINC000299750771 258007589 /nfs/dbraw/zinc/00/75/89/258007589.db2.gz OIHFZXIXVCPVNL-CYBMUJFWSA-N -1 0 345.355 1.786 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)CCCn2nnc(-c3ccccc3)n2)C1 ZINC000299742530 258009475 /nfs/dbraw/zinc/00/94/75/258009475.db2.gz JXJHGVACIPYHHN-CYBMUJFWSA-N -1 0 329.360 1.053 50 0 EDAARM Cc1nc2c(c(N3C[C@H](CC(=O)[O-])[C@H](c4cn(C)nn4)C3)n1)CCC2 ZINC000299788393 258094873 /nfs/dbraw/zinc/09/48/73/258094873.db2.gz RGMFSNYUHPZAQM-WCQYABFASA-N -1 0 342.403 1.097 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)CCN2C(=O)CCc3ccccc32)CCO1 ZINC000299753374 132422798 /nfs/dbraw/zinc/42/27/98/132422798.db2.gz YAGQKDQKJQLCPZ-CQSZACIVSA-N -1 0 346.383 1.058 50 0 EDAARM C[C@@H](CN(C)C(=O)c1cnn(C)c1-c1ccccc1)c1nnn[n-]1 ZINC000124067819 222372749 /nfs/dbraw/zinc/37/27/49/222372749.db2.gz BDJDFXOWAVHJBM-NSHDSACASA-N -1 0 325.376 1.476 50 0 EDAARM CCc1csc(NC(=O)Cc2c(C)nc3cc(=O)[n-]n3c2C)n1 ZINC000069775033 276697979 /nfs/dbraw/zinc/69/79/79/276697979.db2.gz ZKLSKQXTHBVCFG-UHFFFAOYSA-N -1 0 331.401 1.840 50 0 EDAARM CC(C)(C)n1nc(C(=O)N2CCO[C@H](CC(=O)[O-])C2)cc1C1CC1 ZINC000236770485 278584029 /nfs/dbraw/zinc/58/40/29/278584029.db2.gz SXAJSWNNNWCFFI-GFCCVEGCSA-N -1 0 335.404 1.831 50 0 EDAARM CC(C)[C@H](NC(=O)CCN1c2ccccc2O[C@@H](C)C1=O)C(=O)[O-] ZINC000033520823 280293969 /nfs/dbraw/zinc/29/39/69/280293969.db2.gz XHDJVSKQHDFYSX-NHYWBVRUSA-N -1 0 334.372 1.416 50 0 EDAARM CN1C(C(=O)Nc2ccccn2)=C([O-])c2sccc2S1(=O)=O ZINC000100006429 289860433 /nfs/dbraw/zinc/86/04/33/289860433.db2.gz LZNWYQJJBLGYLT-UHFFFAOYSA-N -1 0 337.382 1.643 50 0 world EDAARM CS(=O)(=O)Cc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1 ZINC000069628362 295512740 /nfs/dbraw/zinc/51/27/40/295512740.db2.gz ZOJREPZSUAQFGP-KBPBESRZSA-N -1 0 337.397 1.837 50 0 EDAARM C[C@]1(C(=O)[O-])CCC[C@H]1NS(=O)(=O)c1cnn(-c2ccccc2)c1 ZINC000548223523 306121382 /nfs/dbraw/zinc/12/13/82/306121382.db2.gz ZTAOKGHBLGJEEC-ZBFHGGJFSA-N -1 0 349.412 1.794 50 0 EDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc(Br)cc1 ZINC000000253107 440809970 /nfs/dbraw/zinc/80/99/70/440809970.db2.gz ORZCOQODYMJAIP-SNVBAGLBSA-N -1 0 334.191 1.687 50 0 EDAARM C[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)C(=O)NCC(=O)[O-] ZINC000002116961 440857550 /nfs/dbraw/zinc/85/75/50/440857550.db2.gz WMKBGKQZKVPADD-VIFPVBQESA-N -1 0 331.324 1.250 50 0 EDAARM CSCC[C@H](NS(=O)(=O)c1cccc2nsnc21)C(=O)[O-] ZINC000002319192 440859854 /nfs/dbraw/zinc/85/98/54/440859854.db2.gz SUDACGGCBAXTTK-QMMMGPOBSA-N -1 0 347.443 1.176 50 0 EDAARM 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COc1ccc(N2C(=O)[C@@H]3ON=C(c4cn(C)nc4C)[C@@H]3C2=O)cc1 ZINC000101343929 219123321 /nfs/dbraw/zinc/12/33/21/219123321.db2.gz SGWQMTLXQBWAIF-DZGCQCFKSA-N -1 0 340.339 1.030 50 0 EDAARM O=C([O-])[C@H]1[C@H]2C=C[C@H](C2)[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000004142630 210130654 /nfs/dbraw/zinc/13/06/54/210130654.db2.gz HWGDPWQYIQOKHA-OWSLCNJRSA-N -1 0 340.423 1.854 50 0 EDAARM CCOc1cc(C(=O)N2C[C@@H](C(=O)NC)CC[C@H]2C(=O)[O-])ccc1C ZINC000685940526 539578968 /nfs/dbraw/zinc/57/89/68/539578968.db2.gz CNDQIEUJOVZXCQ-KBPBESRZSA-N -1 0 348.399 1.445 50 0 EDAARM Cc1ccc(-c2cc(C([O-])=C3C(=O)N(C)C(=O)N(C)C3=O)n[nH]2)s1 ZINC000103502018 219308348 /nfs/dbraw/zinc/30/83/48/219308348.db2.gz RFZICQFXHBULAE-UHFFFAOYSA-N -1 0 346.368 1.296 50 0 EDAARM O=C([O-])CN1C(=O)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O ZINC000001915469 209804910 /nfs/dbraw/zinc/80/49/10/209804910.db2.gz QWXSGSDKGGYSSJ-UHFFFAOYSA-N -1 0 331.111 1.369 50 0 EDAARM O=C([O-])C1=Nc2nc(C(F)(F)F)nn2[C@H](c2ccc(O)cc2)C1 ZINC000101600017 304035744 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ZINC000010342112 211167947 /nfs/dbraw/zinc/16/79/47/211167947.db2.gz GCOCVJYQPZIKHQ-UHFFFAOYSA-N -1 0 329.341 1.782 50 0 EDAARM Cn1nc(-c2cccc([N-]S(=O)(=O)c3cccnc3)c2)ccc1=O ZINC000010324797 211164501 /nfs/dbraw/zinc/16/45/01/211164501.db2.gz NUGAGQDZRVVHDV-UHFFFAOYSA-N -1 0 342.380 1.643 50 0 EDAARM Cc1ccc(CCNC(=O)c2ccc(N3CC(=O)N=C3[O-])cc2)o1 ZINC000095372435 218305148 /nfs/dbraw/zinc/30/51/48/218305148.db2.gz MUSFMIAMCBREEE-UHFFFAOYSA-N -1 0 327.340 1.617 50 0 EDAARM O=C([O-])c1ccc([C@@H]2CCCN(C(=O)CN3CCCC3=O)C2)cc1 ZINC000095373089 218305205 /nfs/dbraw/zinc/30/52/05/218305205.db2.gz ARZQOLPFQXMNLM-OAHLLOKOSA-N -1 0 330.384 1.713 50 0 EDAARM CC(C)c1cc(C(=O)[O-])c2c(=O)[nH]c(=O)n(Cc3ccccc3)c2n1 ZINC000008938401 211019595 /nfs/dbraw/zinc/01/95/95/211019595.db2.gz OEMWCYJCBWVNAY-UHFFFAOYSA-N -1 0 339.351 1.955 50 0 EDAARM CCCc1cc(C(=O)NCCc2nc(C)c(C(=O)[O-])s2)n(C)n1 ZINC000095384477 218316919 /nfs/dbraw/zinc/31/69/19/218316919.db2.gz IRFGIQODZGOVRW-UHFFFAOYSA-N -1 0 336.417 1.808 50 0 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/nfs/dbraw/zinc/30/71/78/139307178.db2.gz ZSBAVQLMPWJLJJ-MRXNPFEDSA-N -1 0 326.352 1.983 50 0 EDAARM CC(=O)c1c(C)[nH]c(C(=O)NCCc2nc(C(=O)[O-])cs2)c1C ZINC000262894686 139311062 /nfs/dbraw/zinc/31/10/62/139311062.db2.gz COOPNCGFMQFPEH-UHFFFAOYSA-N -1 0 335.385 1.961 50 0 EDAARM Cc1ccc(NC(=O)N2CC[C@@](C)(C(=O)[O-])C2)c(S(C)(=O)=O)c1 ZINC000263024656 139318454 /nfs/dbraw/zinc/31/84/54/139318454.db2.gz AJALRIVBRWWUOC-OAHLLOKOSA-N -1 0 340.401 1.727 50 0 EDAARM COC[C@]1(C(=O)[O-])CCN(C(=O)c2ccnc(OC3CCC3)c2)C1 ZINC000263102681 139322458 /nfs/dbraw/zinc/32/24/58/139322458.db2.gz UEROBOHPTPNVPS-KRWDZBQOSA-N -1 0 334.372 1.576 50 0 EDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262561545 299559966 /nfs/dbraw/zinc/55/99/66/299559966.db2.gz YPAUHFUNOKPJGC-DUVNUKRYSA-N -1 0 333.384 1.781 50 0 EDAARM CCc1nc(SCc2nc(C3CCCC3)nn2CC(=O)[O-])n[nH]1 ZINC000097334321 219012673 /nfs/dbraw/zinc/01/26/73/219012673.db2.gz VRHWWJAACMFPSN-UHFFFAOYSA-N -1 0 336.421 1.993 50 0 EDAARM COc1cc(/C=C\C(=O)N2CC[C@@H](C(=O)[O-])C2)cc2c1OCCO2 ZINC000492233302 255164093 /nfs/dbraw/zinc/16/40/93/255164093.db2.gz STQUOCJZITXONX-ZZKXABKFSA-N -1 0 333.340 1.413 50 0 EDAARM CCN1CCN([C@@H](c2ccco2)c2sc3ncnn3c2[O-])CC1 ZINC000022027265 285333255 /nfs/dbraw/zinc/33/32/55/285333255.db2.gz ODUDLEXHHRGCEH-LBPRGKRZSA-N -1 0 333.417 1.816 50 0 EDAARM O=C([O-])[C@@H](Cc1ccccc1)NC(=O)N1CC(=O)Nc2ccccc21 ZINC000015970919 257950613 /nfs/dbraw/zinc/95/06/13/257950613.db2.gz PTEUELDWMJPCTL-CQSZACIVSA-N -1 0 339.351 1.851 50 0 EDAARM CCOC(=O)c1c(CC)c(C)sc1NC(=O)COCC(=O)[O-] ZINC000017067466 257975239 /nfs/dbraw/zinc/97/52/39/257975239.db2.gz AJWWQIWDFVFAOP-UHFFFAOYSA-N -1 0 329.374 1.835 50 0 EDAARM O=C([O-])c1cccc(CCNC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000299745054 257933001 /nfs/dbraw/zinc/93/30/01/257933001.db2.gz VUSSYSYMURKVPY-OAHLLOKOSA-N -1 0 344.411 1.835 50 0 EDAARM COc1cc(/C=C/C(=O)N2CCC[C@@H]2C(=O)[O-])cc2c1OCCO2 ZINC000328591116 258044298 /nfs/dbraw/zinc/04/42/98/258044298.db2.gz PVYUHVHMCPMBOP-ZYOFXKKJSA-N -1 0 333.340 1.555 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)c2ccccc2OC[C@@H]2CCCO2)CCO1 ZINC000299748215 258008234 /nfs/dbraw/zinc/00/82/34/258008234.db2.gz GLWDDBVRYNXGIV-UONOGXRCSA-N -1 0 349.383 1.560 50 0 EDAARM Cn1cc([C@@H]2CN(C(=O)/C=C/c3ccccc3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299786896 258093685 /nfs/dbraw/zinc/09/36/85/258093685.db2.gz RLOHKBCIYPFOEY-MHKRFPNSSA-N -1 0 340.383 1.545 50 0 EDAARM COc1ccc(CC(=O)N2C[C@H](CC(=O)[O-])[C@H](c3cn[nH]n3)C2)cc1 ZINC000299757034 258074901 /nfs/dbraw/zinc/07/49/01/258074901.db2.gz HMNGEVYGUQVXGQ-GXTWGEPZSA-N -1 0 344.371 1.073 50 0 EDAARM CS(=O)(=O)CCN(C(=O)c1ccc2[n-]c(=S)oc2c1)C1CC1 ZINC000155119578 533357624 /nfs/dbraw/zinc/35/76/24/533357624.db2.gz PYBNUMWSSBHRQO-UHFFFAOYSA-N -1 0 340.426 1.766 50 0 EDAARM COc1ccc(C(C)(C)C(=O)[N-]S(=O)(=O)Cc2ccon2)cc1 ZINC000155781573 533357796 /nfs/dbraw/zinc/35/77/96/533357796.db2.gz XGAULGAIAWUJOL-UHFFFAOYSA-N -1 0 338.385 1.607 50 0 EDAARM CCOc1ccccc1[C@H](CC(=O)N1CCC[C@H]1C(=O)[O-])NC(C)=O ZINC000262901188 286582127 /nfs/dbraw/zinc/58/21/27/286582127.db2.gz PXMVOSWDNSYHQQ-GJZGRUSLSA-N -1 0 348.399 1.728 50 0 EDAARM C[C@H]1CC[C@@H](C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)O1 ZINC000158734675 533682823 /nfs/dbraw/zinc/68/28/23/533682823.db2.gz TXPXJXUDIKLZHF-CBAPKCEASA-N -1 0 338.307 1.473 50 0 EDAARM Cc1nc(S(=O)(=O)N2CCc3c(C)cccc3[C@H]2C(=O)[O-])c[nH]1 ZINC000274960845 268250426 /nfs/dbraw/zinc/25/04/26/268250426.db2.gz BJNTUSIFKBLUSB-AWEZNQCLSA-N -1 0 335.385 1.399 50 0 EDAARM Cc1cc(C(=O)N2CCn3cccc3[C@H]2C)[nH]c2nc(=O)[n-]c(=O)c1-2 ZINC000172631878 301117882 /nfs/dbraw/zinc/11/78/82/301117882.db2.gz PJPKRJGVQXKZIB-SNVBAGLBSA-N -1 0 339.355 1.351 50 0 EDAARM COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSCC(=O)[O-])c1 ZINC000000103066 440799473 /nfs/dbraw/zinc/79/94/73/440799473.db2.gz WOLIHZSRMIKZTB-UHFFFAOYSA-N -1 0 341.341 1.016 50 0 EDAARM CN(c1cccc([N-]S(=O)(=O)c2cccs2)c1)S(C)(=O)=O ZINC000000609634 440832871 /nfs/dbraw/zinc/83/28/71/440832871.db2.gz CGGIPOQJIHTHJD-UHFFFAOYSA-N -1 0 346.455 1.945 50 0 EDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccc2c3c(cccc31)C(=O)N2 ZINC000000816452 440834485 /nfs/dbraw/zinc/83/44/85/440834485.db2.gz IDHSWARUVROLOY-GFCCVEGCSA-N -1 0 346.364 1.643 50 0 EDAARM Cc1cc(OCC(=O)NCCC(=O)[O-])c2c(C)c(C)c(=O)oc2c1 ZINC000002094191 440855424 /nfs/dbraw/zinc/85/54/24/440855424.db2.gz BFTRNEQEOULUGT-UHFFFAOYSA-N -1 0 333.340 1.688 50 0 EDAARM O=C([O-])c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1 ZINC000003268222 440893031 /nfs/dbraw/zinc/89/30/31/440893031.db2.gz MXYWYUIGPWWUNX-UHFFFAOYSA-N -1 0 333.325 1.355 50 0 EDAARM C[C@H]1CN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000003296600 440894574 /nfs/dbraw/zinc/89/45/74/440894574.db2.gz OEQFUZRYEZVPSD-IUCAKERBSA-N -1 0 333.793 1.836 50 0 EDAARM COC(=O)c1ccccc1[N-]S(=O)(=O)c1csc(C(N)=O)c1 ZINC000006681511 441007529 /nfs/dbraw/zinc/00/75/29/441007529.db2.gz NFRNJOOKUMVNNS-UHFFFAOYSA-N -1 0 340.382 1.434 50 0 EDAARM COC(=O)c1cc(S(=O)(=O)[N-]c2n[nH]c3ccccc32)ccc1O ZINC000069971070 441098540 /nfs/dbraw/zinc/09/85/40/441098540.db2.gz GPMOQLYWSBEASM-UHFFFAOYSA-N -1 0 347.352 1.856 50 0 EDAARM C/C(NN1CCCCC1)=C1/C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000009359719 441104109 /nfs/dbraw/zinc/10/41/09/441104109.db2.gz CUDXMAIMXPSKBR-FYWRMAATSA-N -1 0 342.399 1.530 50 0 EDAARM Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])C2(C)C)cc1 ZINC000071286722 441144090 /nfs/dbraw/zinc/14/40/90/441144090.db2.gz WAYIXLJBQCMYAE-OLZOCXBDSA-N -1 0 341.367 1.946 50 0 EDAARM CCOC(=O)c1c(C)[nH]nc1S(=O)(=O)[N-]c1ccc(OC)cc1 ZINC000047417506 441184562 /nfs/dbraw/zinc/18/45/62/441184562.db2.gz LHRPKZUBCCQRQW-UHFFFAOYSA-N -1 0 339.373 1.704 50 0 EDAARM O=C([O-])c1cccc(OCC(=O)NC[C@H]2COc3ccccc3O2)c1 ZINC000013035461 441152358 /nfs/dbraw/zinc/15/23/58/441152358.db2.gz LVWXNBRKKKCZOG-AWEZNQCLSA-N -1 0 343.335 1.720 50 0 EDAARM CC(C)(C)NC(=O)CSc1nc([O-])cc(=O)n1-c1ccccc1 ZINC000013112101 441153421 /nfs/dbraw/zinc/15/34/21/441153421.db2.gz FJTOAFUOXUZVGN-UHFFFAOYSA-N -1 0 333.413 1.945 50 0 EDAARM Cc1cccc(Cl)c1S(=O)(=O)N1CCC(O)(C(=O)[O-])CC1 ZINC000071776339 441154886 /nfs/dbraw/zinc/15/48/86/441154886.db2.gz AMYNMZLDIGNDKM-UHFFFAOYSA-N -1 0 333.793 1.249 50 0 EDAARM CS(=O)(=O)Cc1cccc(C(=O)NCc2ccc(C(=O)[O-])cc2)c1 ZINC000013261610 441156259 /nfs/dbraw/zinc/15/62/59/441156259.db2.gz YTGPMFWQKPKXDQ-UHFFFAOYSA-N -1 0 347.392 1.859 50 0 EDAARM Cn1cc([C@@H]2[C@H](C(=O)[O-])CC(=O)N2CCOc2cccc(F)c2)cn1 ZINC000072275767 441216278 /nfs/dbraw/zinc/21/62/78/441216278.db2.gz QWJYZLCIEKMIRP-GDBMZVCRSA-N -1 0 347.346 1.612 50 0 EDAARM COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(N(C)C)nc1 ZINC000072275921 441216605 /nfs/dbraw/zinc/21/66/05/441216605.db2.gz OHARCDCGOAVTSU-UHFFFAOYSA-N -1 0 341.414 1.797 50 0 EDAARM COc1cccc(CN[C@@H](C)c2nnn[n-]2)c1OCCn1ccnc1 ZINC000065423233 441431284 /nfs/dbraw/zinc/43/12/84/441431284.db2.gz SBUPHIKFXZWTOB-LBPRGKRZSA-N -1 0 343.391 1.335 50 0 EDAARM CC(C)n1cc(S(=O)(=O)[N-]c2ccc(N3CCCC3)cn2)cn1 ZINC000076068432 441593021 /nfs/dbraw/zinc/59/30/21/441593021.db2.gz SRIPYUDTCMJBCF-UHFFFAOYSA-N -1 0 335.433 2.260 50 0 EDAARM CCc1ccccc1NC(=O)[C@@H](CC)Sc1n[nH]c(=O)[n-]c1=O ZINC000041606186 441663801 /nfs/dbraw/zinc/66/38/01/441663801.db2.gz ZYSNICKQHMRSFD-LLVKDONJSA-N -1 0 334.401 1.942 50 0 EDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2cnc(N3CCOCC3)nc2)C1 ZINC000091364685 441697091 /nfs/dbraw/zinc/69/70/91/441697091.db2.gz OTDPCCGNETVINR-QGZVFWFLSA-N -1 0 348.403 1.030 50 0 EDAARM CNC(=O)c1cnc(C=Cc2ccc(OCCC(=O)[O-])cc2)[nH]c1=O ZINC000068274239 441765887 /nfs/dbraw/zinc/76/58/87/441765887.db2.gz CQWBRZJSTRPMEX-QPJJXVBHSA-N -1 0 343.339 1.153 50 0 EDAARM COc1cccc2c1OCC(C(=O)[N-]S(=O)(=O)c1cccnc1)=C2 ZINC000069537246 441971303 /nfs/dbraw/zinc/97/13/03/441971303.db2.gz ZRKKILDMBHLGKC-UHFFFAOYSA-N -1 0 346.364 1.371 50 0 EDAARM O=C([O-])[C@@H]1Cc2[nH]cnc2CN1C(=O)c1ccccc1N1CCCC1 ZINC000095507070 441941118 /nfs/dbraw/zinc/94/11/18/441941118.db2.gz VDDWVSBADZWQSU-INIZCTEOSA-N -1 0 340.383 1.662 50 0 EDAARM Cc1ccc(-c2nc(CN3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])no2)cc1 ZINC000095518725 441946519 /nfs/dbraw/zinc/94/65/19/441946519.db2.gz HPTYLBMBUCMVSY-CQSZACIVSA-N -1 0 339.355 1.780 50 0 EDAARM CCc1nc(S([O-])=CC(=O)NCCc2c(F)cccc2F)n[nH]1 ZINC000095966747 441962940 /nfs/dbraw/zinc/96/29/40/441962940.db2.gz FGTQSVRBZDXOBF-HSZRJFAPSA-N -1 0 342.371 1.112 50 0 EDAARM COc1cccc(CN2C(=O)CC[C@@H](C(=O)[O-])[C@H]2c2cnn(C)c2)c1 ZINC000069815435 442049044 /nfs/dbraw/zinc/04/90/44/442049044.db2.gz VVFKNCXMEHEDPU-NVXWUHKLSA-N -1 0 343.383 1.993 50 0 EDAARM O=S(=O)([N-]c1ccc(N2CCCC2)cn1)c1c[nH]c2ncccc12 ZINC000096408035 442115500 /nfs/dbraw/zinc/11/55/00/442115500.db2.gz WTBITWJNQYXRLD-UHFFFAOYSA-N -1 0 343.412 2.359 50 0 EDAARM Cc1cccc(N(CC(=O)N2CCCCC2)Cc2n[nH]c(=O)[n-]2)c1 ZINC000096490436 442142042 /nfs/dbraw/zinc/14/20/42/442142042.db2.gz NHRZVNKEKGNEEB-UHFFFAOYSA-N -1 0 329.404 1.426 50 0 EDAARM Cc1ccnc([N-]S(=O)(=O)c2cnn(Cc3ccccc3)c2)n1 ZINC000097114320 442171203 /nfs/dbraw/zinc/17/12/03/442171203.db2.gz KEJHREWLWQGXRI-UHFFFAOYSA-N -1 0 329.385 1.831 50 0 EDAARM COC(=O)[C@@H](C)S(=O)(=O)[N-]C(=O)c1oc2c(cccc2C)c1C ZINC000170619542 442237699 /nfs/dbraw/zinc/23/76/99/442237699.db2.gz RTTVBEPWLGIUET-SNVBAGLBSA-N -1 0 339.369 1.671 50 0 EDAARM O=C([N-]S(=O)(=O)c1ccc(Cl)cn1)c1ccc2c(c1)OCO2 ZINC000170625783 442238072 /nfs/dbraw/zinc/23/80/72/442238072.db2.gz ZAYCCXSIMQHGFQ-UHFFFAOYSA-N -1 0 340.744 1.582 50 0 EDAARM COC(=O)c1ncsc1S(=O)(=O)[N-]C(=O)c1c(C)coc1C ZINC000225470816 443105735 /nfs/dbraw/zinc/10/57/35/443105735.db2.gz PBRMFCIHGHKFLF-UHFFFAOYSA-N -1 0 344.370 1.258 50 0 EDAARM CC(C)C[C@H](CNC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1)C(=O)[O-] ZINC000261818005 443170921 /nfs/dbraw/zinc/17/09/21/443170921.db2.gz WGPBGQOWNGOLFY-ZJUUUORDSA-N -1 0 338.326 1.260 50 0 EDAARM CC(C)(C(=O)N1CCO[C@@H](CC(=O)[O-])C1)c1ccc2c(c1)OCCO2 ZINC000269045042 443181912 /nfs/dbraw/zinc/18/19/12/443181912.db2.gz SDQVATLREGMKIC-ZDUSSCGKSA-N -1 0 349.383 1.438 50 0 EDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000238075311 443194723 /nfs/dbraw/zinc/19/47/23/443194723.db2.gz XPKGMDPANSXZJG-GXFFZTMASA-N -1 0 338.310 1.393 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)CCCOc2ccc(F)cc2)CCO1 ZINC000268946804 443156355 /nfs/dbraw/zinc/15/63/55/443156355.db2.gz HHELLROFXGJWHN-CQSZACIVSA-N -1 0 325.336 1.687 50 0 EDAARM Cc1cc(C)n2nc(C(=O)N3[C@@H]4CCCC[C@@H]4C[C@H]3C(=O)[O-])nc2n1 ZINC000261640002 443162364 /nfs/dbraw/zinc/16/23/64/443162364.db2.gz IHLZGLVNRVVBKT-UPJWGTAASA-N -1 0 343.387 1.599 50 0 EDAARM CCc1nc(COc2ccc(C(=O)N3CC[C@H](C(=O)[O-])C3)cc2)no1 ZINC000269218649 443236931 /nfs/dbraw/zinc/23/69/31/443236931.db2.gz ZALAHEQJCYLTGC-LBPRGKRZSA-N -1 0 345.355 1.758 50 0 EDAARM C[C@H](OC[C@@H]1CCCCO1)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-] ZINC000262588359 443201632 /nfs/dbraw/zinc/20/16/32/443201632.db2.gz HEUHRIGPKZBNHC-RRQGHBQHSA-N -1 0 347.411 1.999 50 0 EDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)N1CC[C@](C)(C(=O)[O-])C1 ZINC000299745353 444132079 /nfs/dbraw/zinc/13/20/79/444132079.db2.gz YGXOPZVEILSUKT-HNNXBMFYSA-N -1 0 325.386 1.335 50 0 EDAARM Cc1c(C(=O)[O-])sc2ncnc(NCCCN3CCOCC3)c12 ZINC000299759627 444136697 /nfs/dbraw/zinc/13/66/97/444136697.db2.gz PNZLWGHRWVAGCI-UHFFFAOYSA-N -1 0 336.417 1.832 50 0 EDAARM Cc1cc(C(=O)N2CCC[C@@H](c3ccn(CC(=O)[O-])n3)C2)nn1C ZINC000426471045 447449881 /nfs/dbraw/zinc/44/98/81/447449881.db2.gz STKDGXGASVQRMS-GFCCVEGCSA-N -1 0 331.376 1.029 50 0 EDAARM O=C(NCCCc1nnn[n-]1)c1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000426518861 447462515 /nfs/dbraw/zinc/46/25/15/447462515.db2.gz WGLCFKGSUVYURG-UHFFFAOYSA-N -1 0 339.281 1.457 50 0 EDAARM Cc1ncc(S(=O)(=O)N2CCc3ccccc3[C@H]2C(=O)[O-])n1C ZINC000630447175 451198592 /nfs/dbraw/zinc/19/85/92/451198592.db2.gz PSEHIZPFQNEQCV-AWEZNQCLSA-N -1 0 335.385 1.101 50 0 EDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)[C@@H]1OCCc2ccccc21 ZINC000655600313 452420574 /nfs/dbraw/zinc/42/05/74/452420574.db2.gz CMOUWSPJCBRHCU-JKSUJKDBSA-N -1 0 326.352 1.508 50 0 EDAARM COCCOc1cc(C)ccc1NC(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000669496599 486271444 /nfs/dbraw/zinc/27/14/44/486271444.db2.gz NTFMEEVKIHSERE-CQSZACIVSA-N -1 0 338.360 1.338 50 0 EDAARM C/C=C/c1ccc(OCC(=O)N2CCOC[C@H]2C(=O)[O-])c(OC)c1 ZINC000268982328 518552388 /nfs/dbraw/zinc/55/23/88/518552388.db2.gz NOSOEVJKJKSYMQ-OOPCZODUSA-N -1 0 335.356 1.419 50 0 EDAARM CS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC(=O)[O-])C2CC2)c1 ZINC000268947021 525249354 /nfs/dbraw/zinc/24/93/54/525249354.db2.gz NECDJYQVMFXFJS-UHFFFAOYSA-N -1 0 331.777 1.433 50 0 EDAARM CCN1C(=O)COc2ccc(S(=O)(=O)[N-]c3cccnc3)cc21 ZINC000227161886 535433638 /nfs/dbraw/zinc/43/36/38/535433638.db2.gz VEGHQHSWTNTSDO-UHFFFAOYSA-N -1 0 333.369 1.628 50 0 EDAARM COc1cc(C(=O)N[C@H](C(=O)[O-])[C@H]2CCCOC2)ccc1Cl ZINC000262804787 536512371 /nfs/dbraw/zinc/51/23/71/536512371.db2.gz OOZNYQQJBZOEJF-GWCFXTLKSA-N -1 0 327.764 1.958 50 0 EDAARM COc1ccccc1NC(=O)C1CCN(C(=O)[C@H]2C[C@H]2C(=O)[O-])CC1 ZINC000262845308 537079852 /nfs/dbraw/zinc/07/98/52/537079852.db2.gz SQFOEFBNGRPKGZ-QWHCGFSZSA-N -1 0 346.383 1.593 50 0 EDAARM CC(C)(C)CC(=O)[N-]S(=O)(=O)[C@H]1CS(=O)(=O)c2ccccc21 ZINC000888093404 591022954 /nfs/dbraw/zinc/02/29/54/591022954.db2.gz HTTZREWZJVVYMJ-LBPRGKRZSA-N -1 0 345.442 1.397 50 0 EDAARM CCCn1c(-c2cccc(C)c2)nnc1S(=O)(=O)Cc1cn[nH]n1 ZINC000864091011 596753000 /nfs/dbraw/zinc/75/30/00/596753000.db2.gz KDOWOUNJRTYWFY-UHFFFAOYSA-N -1 0 346.416 1.756 50 0 EDAARM CCOC(=O)c1sc([N-]S(=O)(=O)c2cn(C)cn2)cc1C ZINC000052096599 214116377 /nfs/dbraw/zinc/11/63/77/214116377.db2.gz ZNDYATCPTBIKDH-UHFFFAOYSA-N -1 0 329.403 1.768 50 0 EDAARM O=C(NCc1ccccn1)c1c([O-])c2cccc3c2n(c1=O)CCC3 ZINC000100662799 219104463 /nfs/dbraw/zinc/10/44/63/219104463.db2.gz SBRSVDGTSLDFAL-UHFFFAOYSA-N -1 0 335.363 1.978 50 0 EDAARM CC[C@@H](C)Oc1ccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)cc1OC ZINC000101675123 219154637 /nfs/dbraw/zinc/15/46/37/219154637.db2.gz DLLZULJGTMKTFL-BXKDBHETSA-N -1 0 345.359 1.842 50 0 EDAARM Cc1cc2ncc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)c(=O)n2[n-]1 ZINC000102000517 219180356 /nfs/dbraw/zinc/18/03/56/219180356.db2.gz UCGHNGXJRUMBOF-JTQLQIEISA-N -1 0 336.355 1.698 50 0 EDAARM C[C@@H](O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)[O-] ZINC000003412821 210031848 /nfs/dbraw/zinc/03/18/48/210031848.db2.gz PJGCWKMZBLUPLO-MLUIRONXSA-N -1 0 328.173 1.106 50 0 EDAARM Cc1ccc(F)c(C(=O)N[C@@H]2C[C@@H](C(=O)[O-])C[C@@H]2n2ccnn2)c1 ZINC000685940406 539578203 /nfs/dbraw/zinc/57/82/03/539578203.db2.gz JKOVQQOMCHCFHR-HONMWMINSA-N -1 0 332.335 1.560 50 0 EDAARM CCOC(=O)c1sc2[nH]c(CSCC(=O)[O-])nc(=O)c2c1C ZINC000003300886 210001906 /nfs/dbraw/zinc/00/19/06/210001906.db2.gz ONTNGYYKHQRYMK-UHFFFAOYSA-N -1 0 342.398 1.788 50 0 EDAARM Cc1cc(C)c(NC(=O)CCC(=O)N[C@H](C)c2n[nH]c(=O)[n-]2)c(C)c1 ZINC000067643130 215171675 /nfs/dbraw/zinc/17/16/75/215171675.db2.gz PPMUYDPXQNBJLP-GFCCVEGCSA-N -1 0 345.403 1.619 50 0 EDAARM C[C@@H](NC(=O)c1cc(COc2ccccc2F)n[nH]1)c1n[nH]c(=O)[n-]1 ZINC000067818901 215221558 /nfs/dbraw/zinc/22/15/58/215221558.db2.gz JEFHZKUYTVIHOE-MRVPVSSYSA-N -1 0 346.322 1.030 50 0 EDAARM O=C([O-])Cn1ccc2c(nnc3c(-c4ccc(F)cc4)cnn32)c1=O ZINC000040391458 213296482 /nfs/dbraw/zinc/29/64/82/213296482.db2.gz NYIXYIOXTHBCEW-UHFFFAOYSA-N -1 0 339.286 1.330 50 0 EDAARM Cc1nc(-c2ncccn2)[n-]c(=O)c1CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000069896786 215623832 /nfs/dbraw/zinc/62/38/32/215623832.db2.gz WHLFJUPLQLIDAY-SMDDNHRTSA-N -1 0 341.415 1.773 50 0 EDAARM O=C([O-])c1cc(S(=O)(=O)NCC2CC2)c(Br)s1 ZINC000037465671 213149794 /nfs/dbraw/zinc/14/97/94/213149794.db2.gz DCJIFMJEYCMXFW-UHFFFAOYSA-N -1 0 340.220 1.897 50 0 EDAARM O=S(=O)([N-][C@H]1CCN(c2nccs2)C1)c1c(F)cccc1F ZINC000206818554 241051040 /nfs/dbraw/zinc/05/10/40/241051040.db2.gz BBVXZJNXDPUCTM-VIFPVBQESA-N -1 0 345.396 1.979 50 0 EDAARM O=c1c2c([n-]n1CCO)CN(Cc1ccc([C@@H]3CCCCO3)o1)CC2 ZINC000215719766 241139018 /nfs/dbraw/zinc/13/90/18/241139018.db2.gz DBGNBLAGZUHYCZ-INIZCTEOSA-N -1 0 347.415 1.562 50 0 EDAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cccnc2)cc1 ZINC000218778714 241345784 /nfs/dbraw/zinc/34/57/84/241345784.db2.gz AYELQGAFAAKRES-HZPDHXFCSA-N -1 0 342.351 1.746 50 0 EDAARM Cc1nc(NC(=O)CN(C)CCc2ccccn2)sc1C(=O)[O-] ZINC000244626469 243043841 /nfs/dbraw/zinc/04/38/41/243043841.db2.gz FMICXDJSIVECRL-UHFFFAOYSA-N -1 0 334.401 1.658 50 0 EDAARM COc1cc(C(=O)N[C@H](CC(C)C)C(=O)[O-])cc(OC)c1OC ZINC000019926679 212084848 /nfs/dbraw/zinc/08/48/48/212084848.db2.gz UCOFFKFPVPCXPY-LLVKDONJSA-N -1 0 325.361 1.942 50 0 EDAARM COc1ccc(S(=O)(=O)[N-]c2ccccc2C(N)=O)c(OC)c1 ZINC000017070702 211951358 /nfs/dbraw/zinc/95/13/58/211951358.db2.gz GIINHQKUILFPIB-UHFFFAOYSA-N -1 0 336.369 1.604 50 0 EDAARM O=C([O-])[C@H]1CCCC[C@H]1C(=O)N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000005179684 304181401 /nfs/dbraw/zinc/18/14/01/304181401.db2.gz BNZGFUBHIKEAGN-BARDWOONSA-N -1 0 344.411 1.685 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccco2)C1 ZINC000136143943 304182847 /nfs/dbraw/zinc/18/28/47/304182847.db2.gz RUKBYBDKWKMCPL-STQMWFEESA-N -1 0 334.372 1.598 50 0 EDAARM COc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccnn2C)cc1OC ZINC000084303661 217595633 /nfs/dbraw/zinc/59/56/33/217595633.db2.gz ZUNLJPCTEIOLFZ-LLVKDONJSA-N -1 0 333.344 1.383 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCc3ccccc3)C2)C1 ZINC000013260572 211539180 /nfs/dbraw/zinc/53/91/80/211539180.db2.gz LFFHOQVMXCECRV-JKSUJKDBSA-N -1 0 344.411 1.401 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)CCc1ncc(-c2ccccc2F)o1 ZINC000269000340 304199520 /nfs/dbraw/zinc/19/95/20/304199520.db2.gz YNNBYDNXVLVQSB-CYBMUJFWSA-N -1 0 348.330 1.725 50 0 EDAARM O=C1CCC(=O)N1c1ccc(S(=O)(=O)[N-]c2ccccn2)cc1 ZINC000012200320 211318766 /nfs/dbraw/zinc/31/87/66/211318766.db2.gz YZXSJPPJFPZRHV-UHFFFAOYSA-N -1 0 331.353 1.536 50 0 EDAARM CCc1nc(N)sc1C(=O)N1C[C@@H](c2ccncc2)[C@H](C(=O)[O-])C1 ZINC000091551067 218021935 /nfs/dbraw/zinc/02/19/35/218021935.db2.gz IZDJHLDTKRHXBQ-WDEREUQCSA-N -1 0 346.412 1.623 50 0 EDAARM Cc1occc1C(=O)N1CCC2(CCC(=O)N([C@H](C)C(=O)[O-])C2)CC1 ZINC000091625079 218034634 /nfs/dbraw/zinc/03/46/34/218034634.db2.gz SOVMPWFTJTUCKT-GFCCVEGCSA-N -1 0 348.399 1.906 50 0 EDAARM Cc1ncn(CC(=O)N2C[C@@H](c3cccc(F)c3)[C@H](C(=O)[O-])C2)c1C ZINC000091943319 218092635 /nfs/dbraw/zinc/09/26/35/218092635.db2.gz RWABXLAXARWRGY-JKSUJKDBSA-N -1 0 345.374 1.966 50 0 EDAARM Cc1cnn(CC(=O)N2C[C@@H](c3ccccc3C)[C@H](C(=O)[O-])C2)c1 ZINC000092107285 218120696 /nfs/dbraw/zinc/12/06/96/218120696.db2.gz LNGIBAJUUZHEIA-JKSUJKDBSA-N -1 0 327.384 1.827 50 0 EDAARM Cc1noc(C)c1[C@H](C(=O)[O-])N1CCN(Cc2ccncc2)CC1 ZINC000095366721 218299150 /nfs/dbraw/zinc/29/91/50/218299150.db2.gz BJXLUHFRNBOFST-MRXNPFEDSA-N -1 0 330.388 1.630 50 0 EDAARM CN(CCCC(=O)[O-])C(=O)C1=NN(Cc2ccc(F)cc2)C(=O)CC1 ZINC000095389881 218321745 /nfs/dbraw/zinc/32/17/45/218321745.db2.gz VUZBNAMJRLVVLI-UHFFFAOYSA-N -1 0 349.362 1.627 50 0 EDAARM COc1ccc(Br)cc1CNC(=O)[C@@H]1C[C@@H]1C(=O)[O-] ZINC000258789250 139208300 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/nfs/dbraw/zinc/03/56/88/219035688.db2.gz RVOSNWFARHWBJF-UHFFFAOYSA-N -1 0 343.343 1.153 50 0 EDAARM O=C([O-])C1CCN(C(=O)N[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000263409363 139340289 /nfs/dbraw/zinc/34/02/89/139340289.db2.gz UMCCFJXGQMWXBF-GFCCVEGCSA-N -1 0 349.362 1.437 50 0 EDAARM O=c1nc[n-]c2c3c4c(c(N5CCOCC5)nc3sc21)CCC4 ZINC000018187795 285202132 /nfs/dbraw/zinc/20/21/32/285202132.db2.gz UFVJIDABJIKEQQ-UHFFFAOYSA-N -1 0 328.397 1.858 50 0 EDAARM CC(=O)N[C@@H](CC(=O)NC1(C(=O)[O-])CC1)c1c(F)cccc1F ZINC000236691230 258001163 /nfs/dbraw/zinc/00/11/63/258001163.db2.gz SQICFUOFZSPTKZ-NSHDSACASA-N -1 0 326.299 1.266 50 0 EDAARM Cc1cc2nc(CN(C)Cc3cnc4ccccc4n3)cc(=O)n2[n-]1 ZINC000334159684 258004761 /nfs/dbraw/zinc/00/47/61/258004761.db2.gz KZQOPTHLLMPHOW-UHFFFAOYSA-N -1 0 334.383 1.906 50 0 EDAARM CC1(C)C(=O)NC(=O)N1CC(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000299751732 258007068 /nfs/dbraw/zinc/00/70/68/258007068.db2.gz RLRJUVWXIHEJBK-LBPRGKRZSA-N -1 0 347.371 1.039 50 0 EDAARM 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/nfs/dbraw/zinc/98/71/90/302987190.db2.gz RKOUCSADBRNTOC-OLZOCXBDSA-N -1 0 341.367 1.946 50 0 EDAARM Cn1ncc2c1C[C@H](C(=O)N1[C@@H]3CCCC[C@H]3C[C@H]1C(=O)[O-])CC2 ZINC000263400885 303058672 /nfs/dbraw/zinc/05/86/72/303058672.db2.gz GMZAZFXWIOWAON-DMEJVMROSA-N -1 0 331.416 1.769 50 0 EDAARM NC(=O)[C@H]1Cc2ccccc2CN1Cc1nc(=O)c2sccc2[n-]1 ZINC000071834778 303337189 /nfs/dbraw/zinc/33/71/89/303337189.db2.gz ZOKYZUTVGIQHRH-CYBMUJFWSA-N -1 0 340.408 1.397 50 0 EDAARM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@H]1CCCO1 ZINC000001077837 440837714 /nfs/dbraw/zinc/83/77/14/440837714.db2.gz XVYDFXMMDQACSZ-CYBMUJFWSA-N -1 0 348.384 1.395 50 0 EDAARM Cc1cc(Cl)ccc1NC(=O)CSc1n[nH]c(=O)[n-]c1=O ZINC000001282719 440840025 /nfs/dbraw/zinc/84/00/25/440840025.db2.gz GZNFKBRZKGGQMT-UHFFFAOYSA-N -1 0 326.765 1.151 50 0 EDAARM CCc1cc(=O)oc2cc(O[C@@H](C)C(=O)NCCC(=O)[O-])ccc12 ZINC000002091743 440855849 /nfs/dbraw/zinc/85/58/49/440855849.db2.gz WALOXTDZLGTBHG-JTQLQIEISA-N -1 0 333.340 1.714 50 0 EDAARM CC(C)C[C@H](NC(=O)OCc1ccccc1)C(=O)NCCC(=O)[O-] ZINC000002556694 440865264 /nfs/dbraw/zinc/86/52/64/440865264.db2.gz YBQKEBJWZXSFMI-AWEZNQCLSA-N -1 0 336.388 1.918 50 0 EDAARM CNC(=O)[C@H](COC(C)(C)C)NC(=O)[C@@H](CC(=O)[O-])CC(C)C ZINC000044123476 440821282 /nfs/dbraw/zinc/82/12/82/440821282.db2.gz MLJHGDYPASKIHL-NEPJUHHUSA-N -1 0 330.425 1.169 50 0 EDAARM COc1ccc(C(=O)[O-])cc1S(=O)(=O)NCCc1ccccn1 ZINC000003276917 440894737 /nfs/dbraw/zinc/89/47/37/440894737.db2.gz GUNHNFJLHHGFNP-UHFFFAOYSA-N -1 0 336.369 1.309 50 0 EDAARM O=C([O-])CS(=O)(=O)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000005249068 440943858 /nfs/dbraw/zinc/94/38/58/440943858.db2.gz GEKRZCHNCOANHG-UHFFFAOYSA-N -1 0 325.264 1.143 50 0 EDAARM CS(=O)(=O)N1CCCN(C(=O)c2ccc([O-])c(Cl)c2)CC1 ZINC000045319250 440972326 /nfs/dbraw/zinc/97/23/26/440972326.db2.gz GNPPAZOPFNUQGI-UHFFFAOYSA-N -1 0 332.809 1.153 50 0 EDAARM O=C([O-])[C@@H]1CC[C@H](C(=O)N2CCC(C(=O)NCc3ccco3)CC2)C1 ZINC000097532392 441140071 /nfs/dbraw/zinc/14/00/71/441140071.db2.gz 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Nc1nc(Oc2ccccc2F)c(I)c(=O)[n-]1 ZINC000013574469 441160697 /nfs/dbraw/zinc/16/06/97/441160697.db2.gz YFHCBZCIYZSEFY-UHFFFAOYSA-N -1 0 347.087 1.888 50 0 EDAARM CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[N-]O[C@H]1CCCCO1 ZINC000058416158 441192964 /nfs/dbraw/zinc/19/29/64/441192964.db2.gz MVMVNRMWHJLXNR-SJORKVTESA-N -1 0 345.399 1.790 50 0 EDAARM CCn1ncn2cc(S(=O)(=O)[N-]c3ccc(C)cc3C)cc2c1=O ZINC000065246781 441409757 /nfs/dbraw/zinc/40/97/57/441409757.db2.gz QACUXUJITLSSKE-UHFFFAOYSA-N -1 0 346.412 1.934 50 0 EDAARM Cc1nn(C)c(N(C)C)c1[C@@H]1[C@@H](C(=O)[O-])CC(=O)N1[C@@H](C)C(C)C ZINC000075584231 441536223 /nfs/dbraw/zinc/53/62/23/441536223.db2.gz QOYMRJRUSFEFCV-HUBLWGQQSA-N -1 0 336.436 1.813 50 0 EDAARM Cc1c(Br)cccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000088440289 441508769 /nfs/dbraw/zinc/50/87/69/441508769.db2.gz KNLOUBJPNOSNKW-NSHDSACASA-N -1 0 328.162 1.683 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)[N-]c1cccnc1N1CCOCC1 ZINC000089532562 441558542 /nfs/dbraw/zinc/55/85/42/441558542.db2.gz WSEXLVJZDUUASK-UHFFFAOYSA-N -1 0 338.389 1.324 50 0 EDAARM CC(C)C[C@@H](NC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000033464034 441595337 /nfs/dbraw/zinc/59/53/37/441595337.db2.gz GVAATBVPOZJKOU-LXTVHRRPSA-N -1 0 328.453 1.736 50 0 EDAARM C[C@@](COc1ccccc1)(NC(=O)Cc1ccc(O)cc1)C(=O)[O-] ZINC000095989437 441973748 /nfs/dbraw/zinc/97/37/48/441973748.db2.gz IWCXEWWHFKJHSC-SFHVURJKSA-N -1 0 329.352 1.973 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]C(=O)c2cc3cccc(F)c3o2)cn1 ZINC000124637399 441942016 /nfs/dbraw/zinc/94/20/16/441942016.db2.gz GBCQPCYVGSJJFO-UHFFFAOYSA-N -1 0 337.332 1.907 50 0 EDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000069514598 441959462 /nfs/dbraw/zinc/95/94/62/441959462.db2.gz FHBCIXJUURMQOO-LSDHHAIUSA-N -1 0 338.429 1.842 50 0 EDAARM COc1cc(F)c(S(=O)(=O)[N-]c2ncccc2C)cc1OC ZINC000069674233 442009158 /nfs/dbraw/zinc/00/91/58/442009158.db2.gz AEIINQVNYUZJOB-UHFFFAOYSA-N -1 0 326.349 2.347 50 0 EDAARM O=C(CC1CCCC1)N1CCN(Cc2cc(=O)n3[n-]ccc3n2)CC1 ZINC000069701744 442014602 /nfs/dbraw/zinc/01/46/02/442014602.db2.gz VFUSWQROCCGOPX-UHFFFAOYSA-N -1 0 343.431 1.247 50 0 EDAARM Cc1c(C(=O)Nc2[n-]c(=O)ncc2F)nnn1-c1cccc(Cl)c1 ZINC000170088500 442228833 /nfs/dbraw/zinc/22/88/33/442228833.db2.gz XVCHKWBNRJAQPM-UHFFFAOYSA-N -1 0 348.725 1.704 50 0 EDAARM Cc1noc(C)c1C[C@@H](C)C(=O)[N-]S(=O)(=O)CC1CCOCC1 ZINC000170646086 442240906 /nfs/dbraw/zinc/24/09/06/442240906.db2.gz KVIWSEUDDPFNCX-SNVBAGLBSA-N -1 0 344.433 1.343 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)c2ccc(-n3cnnn3)cc2Cl)C1 ZINC000128535434 442272933 /nfs/dbraw/zinc/27/29/33/442272933.db2.gz UOMIAPKROOAHQZ-VIFPVBQESA-N -1 0 335.751 1.253 50 0 EDAARM CN1C(=O)C[C@H](NC(=O)[C@@H]2C[C@@H]2C(=O)[O-])[C@H]1c1ccc(Cl)cc1 ZINC000191677915 442488496 /nfs/dbraw/zinc/48/84/96/442488496.db2.gz NSGIHHYHEQXUIB-OWTLIXCDSA-N -1 0 336.775 1.449 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2c[nH]c(=O)c(Br)c2)C1 ZINC000136112862 442650816 /nfs/dbraw/zinc/65/08/16/442650816.db2.gz KAZDMPFQDPPVEZ-SSDOTTSWSA-N -1 0 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216257569 /nfs/dbraw/zinc/25/75/69/216257569.db2.gz MWKVNWXGFUEBLK-UHFFFAOYSA-N -1 0 347.396 1.985 50 0 EDAARM O=C([O-])CNC(=O)[C@@H]1CCN(c2cc(Cl)ccc2Cl)C1=O ZINC000238188489 242945044 /nfs/dbraw/zinc/94/50/44/242945044.db2.gz SVKTVVXEUBLVRJ-QMMMGPOBSA-N -1 0 331.155 1.547 50 0 EDAARM Cc1n[nH]c(C(N)=O)c1[N-]S(=O)(=O)c1cc(F)ccc1Cl ZINC000078763805 217115419 /nfs/dbraw/zinc/11/54/19/217115419.db2.gz ISSRSSAWPZEDPW-UHFFFAOYSA-N -1 0 332.744 1.410 50 0 EDAARM O=C([O-])CNC(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000238191667 139069961 /nfs/dbraw/zinc/06/99/61/139069961.db2.gz BHJPYDPQJJKITE-SNVBAGLBSA-N -1 0 344.289 1.255 50 0 EDAARM O=C([O-])C1CCN(S(=O)(=O)c2cccc(Br)c2)CC1 ZINC000013262578 211538801 /nfs/dbraw/zinc/53/88/01/211538801.db2.gz MJWMHHMFZQMDGW-UHFFFAOYSA-N -1 0 348.218 1.934 50 0 EDAARM O=C(c1ccc2c(=O)[nH]c(=S)[n-]c2c1)N1CC[C@]2(CCOC2)C1 ZINC000155202109 284673352 /nfs/dbraw/zinc/67/33/52/284673352.db2.gz XVSVSOIPJLPSOS-INIZCTEOSA-N -1 0 331.397 1.464 50 0 EDAARM O=C([O-])CCCC(=O)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000012403798 211369383 /nfs/dbraw/zinc/36/93/83/211369383.db2.gz ZXLSDMNSUJZOMN-CQSZACIVSA-N -1 0 334.372 1.789 50 0 EDAARM COCC[C@@]1(C(=O)[O-])CCCN(C(=O)CN(C)Cc2cccnc2)C1 ZINC000091817517 218069377 /nfs/dbraw/zinc/06/93/77/218069377.db2.gz GTHIOXCCTHTYSK-SFHVURJKSA-N -1 0 349.431 1.243 50 0 EDAARM COc1ccccc1[C@@H]1CN(C(=O)c2ccnc(N)c2)C[C@H]1C(=O)[O-] ZINC000091818536 218071101 /nfs/dbraw/zinc/07/11/01/218071101.db2.gz ZFEBJBQAUCPZJO-UONOGXRCSA-N -1 0 341.367 1.613 50 0 EDAARM Cc1nc(CN2CCC3(CCC(=O)N([C@H](C)C(=O)[O-])C3)CC2)co1 ZINC000091964910 218096155 /nfs/dbraw/zinc/09/61/55/218096155.db2.gz ONMOSLBATBYRAL-GFCCVEGCSA-N -1 0 335.404 1.661 50 0 EDAARM COc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)CC(=O)N3)c(OC)c1 ZINC000009572788 211103123 /nfs/dbraw/zinc/10/31/23/211103123.db2.gz KGEXXAMBXDLHAM-UHFFFAOYSA-N -1 0 348.380 1.999 50 0 EDAARM CSCC[C@@H](NC(=O)c1cc(-c2ccc(O)cc2)n[nH]1)C(=O)[O-] ZINC000095356106 218289570 /nfs/dbraw/zinc/28/95/70/218289570.db2.gz FAANDPPHMPUWJM-LLVKDONJSA-N -1 0 335.385 1.718 50 0 EDAARM Cc1ccc(C)c(NC(=O)N2CCC3(CC2)NC(=O)C[C@H]3C(=O)[O-])c1 ZINC000095371394 218303845 /nfs/dbraw/zinc/30/38/45/218303845.db2.gz FPFKWEROHSUJNG-ZDUSSCGKSA-N -1 0 345.399 1.891 50 0 EDAARM O=C([O-])[C@@]1(C(F)(F)F)CCN(C(=O)CN2CCCCCC2=O)C1 ZINC000261663704 139215460 /nfs/dbraw/zinc/21/54/60/139215460.db2.gz GMOYFPAEWGJNSN-CYBMUJFWSA-N -1 0 336.310 1.255 50 0 EDAARM C[C@@H](CS(C)(=O)=O)N(C(=O)c1cccc(C(=O)[O-])c1)C1CC1 ZINC000261701431 139218894 /nfs/dbraw/zinc/21/88/94/139218894.db2.gz COKISATVCXXTNS-JTQLQIEISA-N -1 0 325.386 1.423 50 0 EDAARM C[C@@H](C(=O)[O-])N(C)S(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000261694681 139218073 /nfs/dbraw/zinc/21/80/73/139218073.db2.gz NHDQTHCBHQTFHY-SFYZADRCSA-N -1 0 333.793 1.757 50 0 EDAARM CCc1c(C(=O)NCCSCC(=O)[O-])cnn1-c1ccccc1 ZINC000095425372 218367884 /nfs/dbraw/zinc/36/78/84/218367884.db2.gz CHSYLXNOEYKYFX-UHFFFAOYSA-N -1 0 333.413 1.982 50 0 EDAARM COc1cc(C(=O)N(C)CC(=O)N2CCC[C@@H](C(=O)[O-])C2)ccc1C ZINC000262156231 139255826 /nfs/dbraw/zinc/25/58/26/139255826.db2.gz KDAXZMIVQJZKCK-CQSZACIVSA-N -1 0 348.399 1.399 50 0 EDAARM C[C@@H](CCC(=O)[O-])NC(=O)C1=NN(Cc2ccccc2)C(=O)CC1 ZINC000262157199 139255928 /nfs/dbraw/zinc/25/59/28/139255928.db2.gz OMPZKEYPXWWFDO-LBPRGKRZSA-N -1 0 331.372 1.535 50 0 EDAARM O=C([O-])c1cc2n(n1)CCCN(C(=O)c1coc3c1C(=O)CCC3)C2 ZINC000065410917 304229401 /nfs/dbraw/zinc/22/94/01/304229401.db2.gz OTPLLDZTBYZTJO-UHFFFAOYSA-N -1 0 343.339 1.739 50 0 EDAARM O=C([O-])C1CCN(C(=O)c2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 ZINC000262504196 139282997 /nfs/dbraw/zinc/28/29/97/139282997.db2.gz NXWSZVKRMFTTFX-HNNXBMFYSA-N -1 0 346.383 1.741 50 0 EDAARM C[C@@H](NC(=O)c1ccoc1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262517237 139283775 /nfs/dbraw/zinc/28/37/75/139283775.db2.gz LNBNOQBESGEEHO-IAQYHMDHSA-N -1 0 342.351 1.609 50 0 EDAARM CCO[C@@H]1C[C@](NC(=O)c2cc(C(C)=O)cn2C)(C(=O)[O-])C1(C)C ZINC000262767593 139302165 /nfs/dbraw/zinc/30/21/65/139302165.db2.gz GQFSPRRZTPJRTO-DYVFJYSZSA-N -1 0 336.388 1.616 50 0 EDAARM C[C@H](Cc1ccc(NC(=O)C2CCS(=O)(=O)CC2)cc1)C(=O)[O-] ZINC000262867585 139309112 /nfs/dbraw/zinc/30/91/12/139309112.db2.gz WDMVCYSJAKSLAH-LLVKDONJSA-N -1 0 339.413 1.713 50 0 EDAARM C[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)c2cccs2)C[C@H]1C(=O)[O-] ZINC000262884684 139310397 /nfs/dbraw/zinc/31/03/97/139310397.db2.gz KYVFQKMDXAUEKP-UTUOFQBUSA-N -1 0 336.413 1.532 50 0 EDAARM COC[C@@]1(C(=O)[O-])CCN(C(=O)c2ccc(Cl)c(OC)c2)C1 ZINC000263025228 139318456 /nfs/dbraw/zinc/31/84/56/139318456.db2.gz OCHNHUBDLZTLFZ-OAHLLOKOSA-N -1 0 327.764 1.912 50 0 EDAARM Cc1ccc(C(=O)N[C@@H](C(=O)N[C@H]2C[C@@H](C(=O)[O-])C2)C(C)C)cc1 ZINC000263171362 139326421 /nfs/dbraw/zinc/32/64/21/139326421.db2.gz FYWASLKSFNUZBS-QLFBSQMISA-N -1 0 332.400 1.729 50 0 EDAARM O=C([O-])[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)c3nonc32)C1 ZINC000263168297 139326186 /nfs/dbraw/zinc/32/61/86/139326186.db2.gz KIWDBTBYSXPSAL-SSDOTTSWSA-N -1 0 345.764 1.362 50 0 EDAARM O=C(NC[C@H](O)c1cccc(O)c1)c1cc(=O)c2cccc(F)c2[n-]1 ZINC000097463460 219025897 /nfs/dbraw/zinc/02/58/97/219025897.db2.gz TVSJHDXTIPVEIV-INIZCTEOSA-N -1 0 342.326 1.836 50 0 EDAARM O=C([O-])c1cn(CC(=O)N2CCC[C@@H]2/C=C/c2ccccc2)nn1 ZINC000263366005 139338254 /nfs/dbraw/zinc/33/82/54/139338254.db2.gz WCZUUPZDXDIJJW-MYSGNRETSA-N -1 0 326.356 1.681 50 0 EDAARM O=C([O-])c1cccc(NC(=O)c2cc3c([nH]c2=O)CCCC3=O)c1 ZINC000035506342 304263355 /nfs/dbraw/zinc/26/33/55/304263355.db2.gz LWTOXMSTKFTXQZ-UHFFFAOYSA-N -1 0 326.308 1.844 50 0 EDAARM Cc1cc(C)n(CCCN(C)C(=O)NC2(C(=O)[O-])CCOCC2)n1 ZINC000426707436 257957567 /nfs/dbraw/zinc/95/75/67/257957567.db2.gz NPXGWXRBJZARLB-UHFFFAOYSA-N -1 0 338.408 1.165 50 0 EDAARM Cc1cc(C(=O)N2CCC[C@@H](c3ccnn3CC(=O)[O-])C2)cc(=O)[nH]1 ZINC000426643066 257959813 /nfs/dbraw/zinc/95/98/13/257959813.db2.gz VTQRZTCIJQWXHJ-GFCCVEGCSA-N -1 0 344.371 1.397 50 0 EDAARM O=C([O-])CN(C(=O)c1ccc(-n2cccn2)c(F)c1)C1CCOCC1 ZINC000238113614 258005428 /nfs/dbraw/zinc/00/54/28/258005428.db2.gz OEMJAQZBLHJAAS-UHFFFAOYSA-N -1 0 347.346 1.717 50 0 EDAARM CC(C)c1ccc(OCCNC(=O)CN2CCC[C@H]2C(=O)[O-])cc1 ZINC000236679555 258005496 /nfs/dbraw/zinc/00/54/96/258005496.db2.gz BQDSTCBAXSGHME-INIZCTEOSA-N -1 0 334.416 1.854 50 0 EDAARM C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(CC(=O)[O-])C1CCOCC1 ZINC000299753275 258006778 /nfs/dbraw/zinc/00/67/78/258006778.db2.gz XOVVEIAIZYELDH-JTQLQIEISA-N -1 0 343.326 1.824 50 0 EDAARM CC(C)c1ncc(Cl)c(C(=O)N(CC(=O)[O-])C2CCOCC2)n1 ZINC000299747346 258007963 /nfs/dbraw/zinc/00/79/63/258007963.db2.gz CSRVNEPGDALWGI-UHFFFAOYSA-N -1 0 341.795 1.959 50 0 EDAARM C[C@@H](CS(=O)(=O)c1ccc(F)cc1)C(=O)N1CC[C@@H](C(=O)[O-])C1 ZINC000299744677 258008851 /nfs/dbraw/zinc/00/88/51/258008851.db2.gz UCWDMANAHANLLA-WDEREUQCSA-N -1 0 343.376 1.169 50 0 EDAARM COC(=O)c1c([O-])c2cc(I)ccc2[nH]c1=O ZINC000032919416 291995329 /nfs/dbraw/zinc/99/53/29/291995329.db2.gz JLRKGBOQNXRUKK-UHFFFAOYSA-N -1 0 345.092 1.625 50 0 EDAARM CC[C@H]1CN(C(=O)c2cc(C)c3c(=O)[n-]c(=O)nc-3[nH]2)C[C@H](CC)O1 ZINC000333674652 141354554 /nfs/dbraw/zinc/35/45/54/141354554.db2.gz DESVAEUIZRERPM-QWRGUYRKSA-N -1 0 346.387 1.774 50 0 EDAARM CC[C@@H](NC(=O)OCC1=Cc2ccccc2S1(=O)=O)C(=O)[O-] ZINC000101466452 286889697 /nfs/dbraw/zinc/88/96/97/286889697.db2.gz MVDRBIHLJOPPCQ-LLVKDONJSA-N -1 0 325.342 1.404 50 0 EDAARM CC[C@@]1(C(=O)[O-])CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000091846982 287410474 /nfs/dbraw/zinc/41/04/74/287410474.db2.gz XGWWUQVMNNNZHA-MRXNPFEDSA-N -1 0 339.413 1.807 50 0 EDAARM CC(C)(C)OC(=O)N1CCC(C(=O)N2CCC[C@H]2C(=O)[O-])CC1 ZINC000003881751 278381236 /nfs/dbraw/zinc/38/12/36/278381236.db2.gz SFPANDZRFRLKER-LBPRGKRZSA-N -1 0 326.393 1.709 50 0 EDAARM CC(C)C[C@H](NC(=O)[C@@H]1CS[C@@H]2c3ccccc3C(=O)N12)C(=O)[O-] ZINC000004084616 279188147 /nfs/dbraw/zinc/18/81/47/279188147.db2.gz BDWZXGZGXPGEHF-HEHGZKQESA-N -1 0 348.424 1.872 50 0 EDAARM Cc1c(S(=O)(=O)N2CCc3c(C)cccc3[C@@H]2C(=O)[O-])cnn1C ZINC000291866974 289201475 /nfs/dbraw/zinc/20/14/75/289201475.db2.gz KVLPAHAYXQRNFQ-OAHLLOKOSA-N -1 0 349.412 1.410 50 0 EDAARM Cc1ccc(C2(C(=O)N3CCN(CC(=O)[O-])C(=O)[C@H]3C)CC2)cc1 ZINC000426360052 447423828 /nfs/dbraw/zinc/42/38/28/447423828.db2.gz DJCLWZDGQWOWGX-CYBMUJFWSA-N -1 0 330.384 1.171 50 0 EDAARM O=C([O-])[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 ZINC000002510145 440864470 /nfs/dbraw/zinc/86/44/70/440864470.db2.gz JZTKZVJMSCONAK-INIZCTEOSA-N -1 0 327.336 1.971 50 0 EDAARM COc1ccccc1C(=O)Nc1ccc(S(=O)(=O)[N-]C(C)=O)cc1 ZINC000000311448 440814659 /nfs/dbraw/zinc/81/46/59/440814659.db2.gz NSQLZJIOMLUHAB-UHFFFAOYSA-N -1 0 348.380 1.772 50 0 EDAARM CC(=O)[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccccc2)cc1 ZINC000000311215 440814672 /nfs/dbraw/zinc/81/46/72/440814672.db2.gz KEQQGUMEQPYRKV-UHFFFAOYSA-N -1 0 348.380 1.529 50 0 EDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ncn(Cc2ccccc2)n1 ZINC000002804464 440877647 /nfs/dbraw/zinc/87/76/47/440877647.db2.gz SXSKIWMREGVFSR-UHFFFAOYSA-N -1 0 332.389 1.169 50 0 EDAARM Cc1nn(C)cc1S(=O)(=O)[N-]c1ncn(Cc2ccccc2C)n1 ZINC000002804380 440878094 /nfs/dbraw/zinc/87/80/94/440878094.db2.gz CFZUSFUJXZPRAX-UHFFFAOYSA-N -1 0 346.416 1.478 50 0 EDAARM COC(=O)c1ccc2c(c1)[nH]c(=O)n(CCCCCC(=O)[O-])c2=O ZINC000002952272 440884928 /nfs/dbraw/zinc/88/49/28/440884928.db2.gz WYUNRUMHEVHWEV-UHFFFAOYSA-N -1 0 334.328 1.121 50 0 EDAARM CCNC(=O)c1cc(S(=O)(=O)[N-]c2cccnc2)ccc1OC ZINC000006706894 441008371 /nfs/dbraw/zinc/00/83/71/441008371.db2.gz YOYIROSFIXRUHV-UHFFFAOYSA-N -1 0 335.385 1.641 50 0 EDAARM O=C([O-])CSc1nc2c(cnn2-c2ccc(Cl)cc2)c(=O)[nH]1 ZINC000009691982 441106998 /nfs/dbraw/zinc/10/69/98/441106998.db2.gz WMLHTZLONACGIP-UHFFFAOYSA-N -1 0 336.760 1.939 50 0 EDAARM CS(=O)(=O)Cc1ccc(C(=O)NCc2ccc(C(=O)[O-])cc2)cc1 ZINC000008429567 441093093 /nfs/dbraw/zinc/09/30/93/441093093.db2.gz UQBPTIZHXGKWCK-UHFFFAOYSA-N -1 0 347.392 1.859 50 0 EDAARM CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1ccccc1OC ZINC000017306834 441241053 /nfs/dbraw/zinc/24/10/53/441241053.db2.gz 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CC(=O)Nc1nc(C(=O)N2[C@@H]3CCCC[C@@H]3C[C@H]2C(=O)[O-])cs1 ZINC000274787857 443612021 /nfs/dbraw/zinc/61/20/21/443612021.db2.gz PGXQHASJDYSULD-JLLWLGSASA-N -1 0 337.401 1.959 50 0 EDAARM Cc1cccc(Cl)c1S(=O)(=O)[N-]C(=O)/C=C\c1ccncn1 ZINC000492757260 320384968 /nfs/dbraw/zinc/38/49/68/320384968.db2.gz AEYCLBOSQCZMLQ-WAYWQWQTSA-N -1 0 337.788 1.957 50 0 EDAARM Cc1cccc(=O)n1C[C@](C)(O)C(=O)Nc1cccc(Cl)c1[O-] ZINC000281397121 443899151 /nfs/dbraw/zinc/89/91/51/443899151.db2.gz BWULFWASBXCQRA-INIZCTEOSA-N -1 0 336.775 1.905 50 0 EDAARM CC(=O)N1CSC[C@@H]1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000299753205 444135239 /nfs/dbraw/zinc/13/52/39/444135239.db2.gz XFXPAUOVWLLUMD-LERXQTSPSA-N -1 0 336.413 1.486 50 0 EDAARM CN(C)c1ncc(CN(C)C(=O)c2cc(F)c(F)c([O-])c2F)cn1 ZINC000097375072 325705974 /nfs/dbraw/zinc/70/59/74/325705974.db2.gz CEJSHHOZVHHXNS-UHFFFAOYSA-N -1 0 340.305 1.938 50 0 EDAARM Cc1ccc2[nH]c(C(=O)N[C@H](C)c3n[nH]c(CC(=O)[O-])n3)cc2c1 ZINC000426583935 447476532 /nfs/dbraw/zinc/47/65/32/447476532.db2.gz GMLVGCPVMOCHFE-SECBINFHSA-N -1 0 327.344 1.713 50 0 EDAARM Cn1ncc(C(=O)[O-])c1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000585135134 448705200 /nfs/dbraw/zinc/70/52/00/448705200.db2.gz ZEFVQEBQJIYBQO-CYBMUJFWSA-N -1 0 349.774 1.985 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)c1ccc(N2CCCCC2=O)cc1 ZINC000521362966 448974616 /nfs/dbraw/zinc/97/46/16/448974616.db2.gz VNAPOZDEDMVZPX-CQSZACIVSA-N -1 0 332.356 1.129 50 0 EDAARM COc1cccc(C[C@H](NC(=O)c2n[nH]c3c2CCCC3)C(=O)[O-])c1 ZINC000630242731 451072723 /nfs/dbraw/zinc/07/27/23/451072723.db2.gz KJYIFUPVUCQQSO-HNNXBMFYSA-N -1 0 343.383 1.723 50 0 EDAARM O=C([O-])COc1ccc(C(=O)N[C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000630305107 451103353 /nfs/dbraw/zinc/10/33/53/451103353.db2.gz GJOVQEMJBWUAKK-AWEZNQCLSA-N -1 0 332.356 1.033 50 0 EDAARM C[C@H]1Oc2c(cccc2C(=O)N2CC[C@H](C(=O)[O-])[C@H](C)C2)NC1=O ZINC000659224080 453676093 /nfs/dbraw/zinc/67/60/93/453676093.db2.gz KUINWJISJZVVLK-MXWKQRLJSA-N -1 0 332.356 1.589 50 0 EDAARM CCc1nc(CN2CCN(C(=O)[C@@H](C(=O)[O-])C(C)(C)C)CC2)no1 ZINC000663101165 453682090 /nfs/dbraw/zinc/68/20/90/453682090.db2.gz QPFWLEQSUVLMFQ-ZDUSSCGKSA-N -1 0 338.408 1.023 50 0 EDAARM CN(Cc1cnn(C)c1)C(=O)N[C@@H](COCc1ccccc1)C(=O)[O-] ZINC000670459280 486550276 /nfs/dbraw/zinc/55/02/76/486550276.db2.gz CYCLNEFMHIRTJP-HNNXBMFYSA-N -1 0 346.387 1.232 50 0 EDAARM CC(=O)N[C@H](CC(=O)N1CCC[C@H](C(=O)[O-])C1)c1ccc(C)cc1 ZINC000133065743 526881500 /nfs/dbraw/zinc/88/15/00/526881500.db2.gz OWVSXAGLIXKYCO-JKSUJKDBSA-N -1 0 332.400 1.886 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CCO1 ZINC000269025497 527629752 /nfs/dbraw/zinc/62/97/52/527629752.db2.gz JYINXBNQBCGAOK-ADEWGFFLSA-N -1 0 325.311 1.770 50 0 EDAARM COCCCn1cnnc1[C@@H](C)NC(=O)c1cccc(C(=O)[O-])c1 ZINC000097756537 219054897 /nfs/dbraw/zinc/05/48/97/219054897.db2.gz PNWKZPWTKRBHPI-LLVKDONJSA-N -1 0 332.360 1.504 50 0 EDAARM O=C(OCc1ccccc1)c1[n-][nH]c2c(O)n(-c3ccccc3)c(=O)c1-2 ZINC000100165680 219093565 /nfs/dbraw/zinc/09/35/65/219093565.db2.gz MINMHOUNGOUDNR-CABCVRRESA-N -1 0 349.346 1.247 50 0 EDAARM CCC[C@H](NC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12)C(=O)[O-] ZINC000004063848 210111099 /nfs/dbraw/zinc/11/10/99/210111099.db2.gz DNUSTSREINMNEP-LBPRGKRZSA-N -1 0 333.340 1.719 50 0 EDAARM CCOC(=O)COc1ccc([C@@H]2N[C@H](C(=O)[O-])CS2)cc1OC ZINC000003642663 210070926 /nfs/dbraw/zinc/07/09/26/210070926.db2.gz QDIQWKPFASJXHF-IINYFYTJSA-N -1 0 341.385 1.425 50 0 EDAARM CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])N(C(=O)c2ccc(F)c(F)c2)C1 ZINC000685941442 539580435 /nfs/dbraw/zinc/58/04/35/539580435.db2.gz WXQCFQZLRNJXEQ-CABZTGNLSA-N -1 0 326.299 1.016 50 0 EDAARM O=C([O-])[C@H]1C[C@@H](NC(=O)c2ccc(C3CC3)cc2)[C@@H](n2ccnn2)C1 ZINC000685940594 539578574 /nfs/dbraw/zinc/57/85/74/539578574.db2.gz OZTXZRGKFVNOMR-XHSDSOJGSA-N -1 0 340.383 1.990 50 0 EDAARM CCCCN1CCN([C@H]2CCc3c(c(C(=O)[O-])nn3CC)C2)CC1=O ZINC000067895741 215244519 /nfs/dbraw/zinc/24/45/19/215244519.db2.gz LDMBQPPRCCNDFB-ZDUSSCGKSA-N -1 0 348.447 1.403 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/nfs/dbraw/zinc/56/24/47/441562447.db2.gz LMCRLFVGVAJBGL-UHFFFAOYSA-N -1 0 334.357 1.222 50 0 EDAARM Cc1n[n-]c(-c2ccccc2N2C(=O)c3ccccc3C2=O)nc1=O ZINC000032934894 441580138 /nfs/dbraw/zinc/58/01/38/441580138.db2.gz VZUZUUMZQNVLDD-UHFFFAOYSA-N -1 0 332.319 1.941 50 0 EDAARM Cn1c2ccccc2c([C@@H](C(=O)[O-])[NH+]2CCN(C)CC2)c1C(=O)[O-] ZINC000036365419 441607231 /nfs/dbraw/zinc/60/72/31/441607231.db2.gz PHKRKUXIAJCNNC-HNNXBMFYSA-N -1 0 331.372 1.250 50 0 EDAARM Cc1n[nH]c(C)c1[C@H](NC(=O)c1cccc2c1OCCO2)C(=O)[O-] ZINC000067946606 441700001 /nfs/dbraw/zinc/70/00/01/441700001.db2.gz NIGRAKGKCMGERA-ZDUSSCGKSA-N -1 0 331.328 1.353 50 0 EDAARM O=C(/C=C/c1cncc(F)c1)[N-]S(=O)(=O)C[C@@H]1CCCCO1 ZINC000122401042 441847944 /nfs/dbraw/zinc/84/79/44/441847944.db2.gz HBAWCNSIXNDWBR-IHVVCDCBSA-N -1 0 328.365 1.249 50 0 EDAARM CS(=O)(=O)c1nc(NC(=O)CCc2ccc(Cl)s2)n[n-]1 ZINC000069567374 441975941 /nfs/dbraw/zinc/97/59/41/441975941.db2.gz HWDNHRWTKMXVDD-UHFFFAOYSA-N -1 0 334.810 1.494 50 0 EDAARM O=C(Cn1nnc2ccccc21)Nc1ccc(-c2nc(=O)o[n-]2)cc1 ZINC000069585374 441982426 /nfs/dbraw/zinc/98/24/26/441982426.db2.gz ROVAHFWICFOZOA-UHFFFAOYSA-N -1 0 336.311 1.413 50 0 EDAARM CCC[C@H](C)CC(=O)[N-]S(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC000069810994 442046244 /nfs/dbraw/zinc/04/62/44/442046244.db2.gz ZINIOAUNWQXMDU-NSHDSACASA-N -1 0 347.458 1.721 50 0 EDAARM CCCOc1c(Cl)cccc1NC(=O)NCCc1n[nH]c(=O)[n-]1 ZINC000096153416 442047026 /nfs/dbraw/zinc/04/70/26/442047026.db2.gz LMZUOOSOFAIVOD-UHFFFAOYSA-N -1 0 339.783 1.904 50 0 EDAARM COCC(=O)N1CCC(Oc2ccc3ncccc3c2)(C(=O)[O-])CC1 ZINC000096161506 442051309 /nfs/dbraw/zinc/05/13/09/442051309.db2.gz QRSUHVUHXPSYQG-UHFFFAOYSA-N -1 0 344.367 1.706 50 0 EDAARM CN(Cc1nc(=O)c2sccc2[n-]1)c1ncnc2c1cnn2C ZINC000097094783 442166116 /nfs/dbraw/zinc/16/61/16/442166116.db2.gz PGHLNKJFTRMBLX-UHFFFAOYSA-N -1 0 327.373 1.298 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@@H]1C[C@@]12CCCc1ccccc12 ZINC000152515460 442221531 /nfs/dbraw/zinc/22/15/31/442221531.db2.gz 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ZINC000262978845 443219536 /nfs/dbraw/zinc/21/95/36/443219536.db2.gz MPVKTSUCFCTFFH-BXKDBHETSA-N -1 0 347.289 1.785 50 0 EDAARM CO[C@@H]1CCC[C@@H]1[C@@H]1COCCN1C(=O)c1ccc(C(=O)[O-])c(C)n1 ZINC000263568829 443232859 /nfs/dbraw/zinc/23/28/59/443232859.db2.gz HDLBIBQFWYFZKO-VNQPRFMTSA-N -1 0 348.399 1.744 50 0 EDAARM CCC[C@@H](C(=O)OCC)S(=O)(=O)[N-]c1ccc(C(N)=O)c(C)c1 ZINC000239352475 443199584 /nfs/dbraw/zinc/19/95/84/443199584.db2.gz ACHWURNDIAGEGJ-ZDUSSCGKSA-N -1 0 342.417 1.567 50 0 EDAARM CN1C(=O)C[C@@H](C(=O)Nc2ccn(CC(=O)[O-])n2)c2ccccc21 ZINC000299747181 444134619 /nfs/dbraw/zinc/13/46/19/444134619.db2.gz CHYMQUGLUQAAMW-LLVKDONJSA-N -1 0 328.328 1.057 50 0 EDAARM COCc1noc([C@@H](C)N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000131778941 325710419 /nfs/dbraw/zinc/71/04/19/325710419.db2.gz PRVRHJODCGWFDS-MRVPVSSYSA-N -1 0 335.389 1.707 50 0 EDAARM Cc1n[nH]c(C)c1CC(=O)N1CCC[C@@H](c2ccnn2CC(=O)[O-])C1 ZINC000426505955 447460491 /nfs/dbraw/zinc/46/04/91/447460491.db2.gz XENXXXFOYGYLRR-CYBMUJFWSA-N 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452477805 /nfs/dbraw/zinc/47/78/05/452477805.db2.gz MSMHSOLJFMEOSH-BBBLOLIVSA-N -1 0 349.368 1.419 50 0 EDAARM C[C@@](NC(=O)c1ccnn1C1CCOCC1)(C(=O)[O-])c1ccccc1 ZINC000663142005 453702339 /nfs/dbraw/zinc/70/23/39/453702339.db2.gz RXLMOVWRILHNLP-SFHVURJKSA-N -1 0 343.383 1.964 50 0 EDAARM CCc1nc(S(=O)(=O)N[C@@H]2C=C[C@@H](C(=O)[O-])C2)cn1CC1CC1 ZINC000663286206 453755226 /nfs/dbraw/zinc/75/52/26/453755226.db2.gz PKGQHPJHOFIRPS-VXGBXAGGSA-N -1 0 339.417 1.163 50 0 EDAARM CC(C)(C(=O)[O-])n1cc(NC(=O)Cn2ccc(C(F)(F)F)n2)cn1 ZINC000262694567 534388911 /nfs/dbraw/zinc/38/89/11/534388911.db2.gz DDKZIQLZNDKWNN-UHFFFAOYSA-N -1 0 345.281 1.557 50 0 EDAARM Cc1cccc2c(=O)n(CC(=O)N3CCCC[C@@H]3C(=O)[O-])cnc12 ZINC000158496056 534779125 /nfs/dbraw/zinc/77/91/25/534779125.db2.gz VVLAQFFYWPRGKS-CYBMUJFWSA-N -1 0 329.356 1.171 50 0 EDAARM C[C@H](Oc1ccc(F)cc1Cl)C(=O)N1CCO[C@@H](CC(=O)[O-])C1 ZINC000262733660 525939055 /nfs/dbraw/zinc/93/90/55/525939055.db2.gz IIXVSBVGVXDFMA-ONGXEEELSA-N -1 0 345.754 1.949 50 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/nfs/dbraw/zinc/34/86/53/213348653.db2.gz RYYAJWJAKSOJKA-BJMVGYQFSA-N -1 0 348.380 1.767 50 0 EDAARM COc1ccc(CN2CCOC[C@H]2CC(=O)[O-])cc1Cn1cccn1 ZINC000072154458 216044320 /nfs/dbraw/zinc/04/43/20/216044320.db2.gz FVKXUOBZCBSCBR-MRXNPFEDSA-N -1 0 345.399 1.616 50 0 EDAARM O=c1[n-]c(CCn2ccnc2-c2cccc(Cn3cccn3)c2)n[nH]1 ZINC000072165837 216055604 /nfs/dbraw/zinc/05/56/04/216055604.db2.gz ZKBTYURUTNOALT-UHFFFAOYSA-N -1 0 335.371 1.449 50 0 EDAARM COc1ccccc1-n1cc(C(=O)N2CCOC[C@H]2CC(=O)[O-])cn1 ZINC000072168970 216061261 /nfs/dbraw/zinc/06/12/61/216061261.db2.gz DLFAFYDILYBLNT-CYBMUJFWSA-N -1 0 345.355 1.197 50 0 EDAARM O=C([O-])C1(Oc2cccc(F)c2)CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000072421016 216208406 /nfs/dbraw/zinc/20/84/06/216208406.db2.gz ARJQNEYKIAREJV-LBPRGKRZSA-N -1 0 337.347 1.687 50 0 EDAARM O=C([O-])c1ccc(O[C@@H]2COCC[C@H]2NC(=O)c2cncnc2)cc1 ZINC000219312476 241377267 /nfs/dbraw/zinc/37/72/67/241377267.db2.gz HHBBGQWJNYRBIL-HUUCEWRRSA-N -1 0 343.339 1.141 50 0 EDAARM Cc1c(C(=O)N(CC(=O)[O-])C2CC2)nnn1-c1ccccc1Cl ZINC000237726977 242770715 /nfs/dbraw/zinc/77/07/15/242770715.db2.gz UMAVEUOWJMWEQX-UHFFFAOYSA-N -1 0 334.763 1.918 50 0 EDAARM O=C([O-])C1CCN(C(=O)c2cc(N3CCCC3=O)ccc2F)CC1 ZINC000238033633 242907328 /nfs/dbraw/zinc/90/73/28/242907328.db2.gz KGXSTTJQSFAPKY-UHFFFAOYSA-N -1 0 334.347 1.889 50 0 EDAARM O=C([O-])[C@@H]1C[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000262678284 304139815 /nfs/dbraw/zinc/13/98/15/304139815.db2.gz ZCWCKMLIDRJPIM-ZNMIVQPWSA-N -1 0 330.384 1.057 50 0 EDAARM COC[C@](C)(NC(=O)c1cc(C)n(-c2ccc(C)cc2)n1)C(=O)[O-] ZINC000191095635 138904817 /nfs/dbraw/zinc/90/48/17/138904817.db2.gz ATYPGDUFZAIZLR-KRWDZBQOSA-N -1 0 331.372 1.709 50 0 EDAARM CC(=O)c1cc2c(cc1NC(=O)c1c(C(=O)[O-])cnn1C)OCO2 ZINC000020614777 212154589 /nfs/dbraw/zinc/15/45/89/212154589.db2.gz NETGRIJCAUQQRP-UHFFFAOYSA-N -1 0 331.284 1.302 50 0 EDAARM CSCC[C@H](NC(=O)Cc1ccc2c(c1)OCCCO2)C(=O)[O-] ZINC000253399996 243906299 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O=C([O-])C1(n2cccn2)CCN(C(=O)CCc2ccccn2)CC1 ZINC000072453930 216240692 /nfs/dbraw/zinc/24/06/92/216240692.db2.gz UDSIWDDYMZJEFX-UHFFFAOYSA-N -1 0 328.372 1.313 50 0 EDAARM Cc1nccn1C1(C(=O)[O-])CCN(C(=O)Cc2ccsc2)CC1 ZINC000072473523 216250851 /nfs/dbraw/zinc/25/08/51/216250851.db2.gz GWKSTJYOAIUSKG-UHFFFAOYSA-N -1 0 333.413 1.898 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)c2ccc(CSc3nc[nH]n3)o2)C1 ZINC000055393590 304110160 /nfs/dbraw/zinc/11/01/60/304110160.db2.gz BVTUMNKGPGTKLG-SECBINFHSA-N -1 0 336.373 1.627 50 0 EDAARM C[C@]1(CCc2ccccc2)NC(=O)N([N-]C(=O)c2cccnc2)C1=O ZINC000023946235 212399778 /nfs/dbraw/zinc/39/97/78/212399778.db2.gz AUKPPGDMBNMWTQ-GOSISDBHSA-N -1 0 338.367 1.670 50 0 EDAARM Cn1nc(C(=O)[O-])c2c1CCN(Cc1ccc(S(C)(=O)=O)cc1)C2 ZINC000215198762 241110863 /nfs/dbraw/zinc/11/08/63/241110863.db2.gz OBOWSWUHQKIRCB-UHFFFAOYSA-N -1 0 349.412 1.080 50 0 EDAARM O=C([O-])c1nc[nH]c1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000216200590 241175121 /nfs/dbraw/zinc/17/51/21/241175121.db2.gz 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ZINC000020200780 212110592 /nfs/dbraw/zinc/11/05/92/212110592.db2.gz MVHUMHIFXOULAK-HNNXBMFYSA-N -1 0 344.411 1.980 50 0 EDAARM Cc1ccc(N2C(=O)C[C@H](N3CCC(C(=O)[O-])CC3)C2=O)c(C)c1 ZINC000019999474 212093303 /nfs/dbraw/zinc/09/33/03/212093303.db2.gz GRRCUPXZCWIEJH-HNNXBMFYSA-N -1 0 330.384 1.732 50 0 EDAARM COc1ccc(NC(=O)[C@H]2[C@H](C(=O)[O-])C2(C)C)cc1C(=O)N(C)C ZINC000079482566 217231292 /nfs/dbraw/zinc/23/12/92/217231292.db2.gz ZVWVSIHKBJFOFV-CHWSQXEVSA-N -1 0 334.372 1.692 50 0 EDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)Cc1cn2ccsc2n1 ZINC000095350085 304206700 /nfs/dbraw/zinc/20/67/00/304206700.db2.gz ONGBWUWRKURVRF-CQSZACIVSA-N -1 0 341.392 1.976 50 0 EDAARM Cc1nn(CC(F)F)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)[O-] ZINC000012396397 211367990 /nfs/dbraw/zinc/36/79/90/211367990.db2.gz LRDAJBPEZGLXNW-UHFFFAOYSA-N -1 0 339.220 1.875 50 0 EDAARM CCc1cc(C(=O)N2CCC3(CC2)[C@H](C(=O)[O-])CC(=O)N3C)ccn1 ZINC000091894579 218085797 /nfs/dbraw/zinc/08/57/97/218085797.db2.gz QTQXIMGZBWIFNM-AWEZNQCLSA-N -1 0 345.399 1.182 50 0 EDAARM CC(=O)N1CC2(C[C@@H]1C(=O)[O-])CCN(Cc1noc(C3CC3)n1)CC2 ZINC000092066841 218114435 /nfs/dbraw/zinc/11/44/35/218114435.db2.gz MAOBHLKVDIUFFB-CYBMUJFWSA-N -1 0 348.403 1.235 50 0 EDAARM O=C(NCc1ccc(Cl)cc1)C1=Nc2ccccc2S(=O)(=O)[N-]1 ZINC000010272662 211160165 /nfs/dbraw/zinc/16/01/65/211160165.db2.gz ZDIURCYMSJBJLT-UHFFFAOYSA-N -1 0 349.799 1.978 50 0 EDAARM COc1ccc([C@H](C(=O)[O-])N2CCSCC2)c(OC)c1OC ZINC000095370957 218303674 /nfs/dbraw/zinc/30/36/74/218303674.db2.gz XEUNVUSJWMPERQ-GFCCVEGCSA-N -1 0 327.402 1.887 50 0 EDAARM Cc1ccc(C(=O)N2CCCC[C@H]2C(=O)[O-])cc1N1CCNC1=O ZINC000095382350 218315109 /nfs/dbraw/zinc/31/51/09/218315109.db2.gz LTHPPSBSMZDYGZ-ZDUSSCGKSA-N -1 0 331.372 1.604 50 0 EDAARM Cc1nn(CC(=O)N2CCCC[C@@H]2C(=O)[O-])c(=O)c2ccccc12 ZINC000095400108 218333890 /nfs/dbraw/zinc/33/38/90/218333890.db2.gz NPDHNCDPKUDJTL-CQSZACIVSA-N -1 0 329.356 1.171 50 0 EDAARM C[C@@H](CCC(=O)[O-])NC(=O)c1cccn(Cc2ccccc2)c1=O ZINC000095991892 218498586 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50 0 EDAARM Cn1nc2c(c1-c1nc(C3CCOCC3)nn1CC(=O)[O-])CCCC2 ZINC000097402532 219021513 /nfs/dbraw/zinc/02/15/13/219021513.db2.gz UHTRKLPMDCYUNL-UHFFFAOYSA-N -1 0 345.403 1.536 50 0 EDAARM O=C([O-])c1ccc(C(=O)N2CCN(c3cc(C4CC4)[nH]n3)CC2)cc1 ZINC000263381112 139339108 /nfs/dbraw/zinc/33/91/08/139339108.db2.gz BRTYAHOKQDSGFV-UHFFFAOYSA-N -1 0 340.383 1.948 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000263483312 139344435 /nfs/dbraw/zinc/34/44/35/139344435.db2.gz LODJLJPVNAGOPB-MRVPVSSYSA-N -1 0 348.327 1.621 50 0 EDAARM CCS(=O)(=O)c1ccc(Cl)c(C(=O)N2CCC[C@@H]2C(=O)[O-])c1 ZINC000328591104 258044195 /nfs/dbraw/zinc/04/41/95/258044195.db2.gz FJNNMJMCHPNFNZ-GFCCVEGCSA-N -1 0 345.804 1.823 50 0 EDAARM CC(=O)N[C@@H](CC(=O)N1CC[C@@](C)(C(=O)[O-])C1)c1ccc(C)cc1 ZINC000236688727 258001184 /nfs/dbraw/zinc/00/11/84/258001184.db2.gz XTTOWLDJZIYDIL-MAUKXSAKSA-N -1 0 332.400 1.886 50 0 EDAARM O=C([O-])CN(C(=O)COc1ccc(Cl)cc1)C1CCOCC1 ZINC000299753624 258006598 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Nc1ccc(C(=O)N2CCC(Oc3ccccc3)(C(=O)[O-])CC2)cn1 ZINC000072477986 258064928 /nfs/dbraw/zinc/06/49/28/258064928.db2.gz DIRAGOQZMNYARX-UHFFFAOYSA-N -1 0 341.367 1.802 50 0 EDAARM O=C([O-])c1nc[nH]c1C(=O)NC[C@H](c1cccnc1)N1CCCCC1 ZINC000097402324 304283883 /nfs/dbraw/zinc/28/38/83/304283883.db2.gz WMPMLTMANHYVTE-CYBMUJFWSA-N -1 0 343.387 1.460 50 0 EDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000378183409 158102279 /nfs/dbraw/zinc/10/22/79/158102279.db2.gz OAAGITVDZLJBST-PSASIEDQSA-N -1 0 326.299 1.249 50 0 EDAARM CC(=O)N[C@](C)(Cc1ccc(OC(C)=O)c(OC(C)=O)c1)C(=O)[O-] ZINC000003852310 278182541 /nfs/dbraw/zinc/18/25/41/278182541.db2.gz HAKWNFAAZYTBIV-MRXNPFEDSA-N -1 0 337.328 1.059 50 0 EDAARM CN(C)C(=O)c1ccc2c(c1)N(CC(=O)[O-])C(=O)[C@@H]1CCCCN21 ZINC000049454909 289031375 /nfs/dbraw/zinc/03/13/75/289031375.db2.gz LBEJMJQIEXEAMF-ZDUSSCGKSA-N -1 0 331.372 1.179 50 0 EDAARM O=C([O-])[C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000292569989 289384246 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COCCN1C(=O)c2ccccc2[C@H](C(=O)[O-])[C@H]1c1nccn1C ZINC000072275876 441216874 /nfs/dbraw/zinc/21/68/74/441216874.db2.gz HLJAGWVOIJVJHU-KBPBESRZSA-N -1 0 329.356 1.432 50 0 EDAARM C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)cs1)C(=O)[O-] ZINC000016650606 441229997 /nfs/dbraw/zinc/22/99/97/441229997.db2.gz STKYAFNXTILNKG-SECBINFHSA-N -1 0 346.430 1.126 50 0 EDAARM CC(C)C[C@H](NC(=O)Cn1nc(-c2ccco2)ccc1=O)C(=O)[O-] ZINC000061717944 441285231 /nfs/dbraw/zinc/28/52/31/441285231.db2.gz PUSUCABRYPGDGJ-LBPRGKRZSA-N -1 0 333.344 1.119 50 0 EDAARM O=C([O-])c1cc(S(=O)(=O)NN=c2cccc[nH]2)ccc1Cl ZINC000049651013 441361318 /nfs/dbraw/zinc/36/13/18/441361318.db2.gz UQLJRAGSWVLMTB-UHFFFAOYSA-N -1 0 327.749 1.739 50 0 EDAARM CCc1nc(C)ccc1OCC(=O)N1CCn2nc(C(=O)[O-])cc2C1 ZINC000065374425 441421057 /nfs/dbraw/zinc/42/10/57/441421057.db2.gz BBUIDJRHTIRBPZ-UHFFFAOYSA-N -1 0 344.371 1.268 50 0 EDAARM CC(=O)c1ccc(N2C[C@@H]3CN(C(=O)C4CC4)C[C@]3(C(=O)[O-])C2)nc1 ZINC000065505939 441447624 /nfs/dbraw/zinc/44/76/24/441447624.db2.gz ISCGZVHWWUHJRN-RDTXWAMCSA-N -1 0 343.383 1.044 50 0 EDAARM CCOC(=O)[C@H]1CCCN(C(=O)Cc2c(C(=O)[O-])c(C)cn2C)C1 ZINC000064980543 441399437 /nfs/dbraw/zinc/39/94/37/441399437.db2.gz OMGKNXUZJVQEHS-LBPRGKRZSA-N -1 0 336.388 1.376 50 0 EDAARM CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)Nc2cccnc2)c1 ZINC000065532760 441453287 /nfs/dbraw/zinc/45/32/87/441453287.db2.gz HWKGKVPDSBNWDG-UHFFFAOYSA-N -1 0 348.384 1.664 50 0 EDAARM CCOC(=O)N[C@@H]1CCCN(Cc2c([O-])nnn2-c2ccccc2)C1 ZINC000057086793 441784859 /nfs/dbraw/zinc/78/48/59/441784859.db2.gz BXJXKJFBVSJRED-CYBMUJFWSA-N -1 0 345.403 1.683 50 0 EDAARM C[C@H](Oc1ccccc1Cl)C(=O)Nc1n[n-]c(S(C)(=O)=O)n1 ZINC000069557377 441972981 /nfs/dbraw/zinc/97/29/81/441972981.db2.gz LTHYWWIXSZMZAA-ZETCQYMHSA-N -1 0 344.780 1.268 50 0 EDAARM O=C(Nc1ccc(-c2nc(=O)o[n-]2)cc1)c1ccc(-n2ccnc2)nc1 ZINC000069737585 442023477 /nfs/dbraw/zinc/02/34/77/442023477.db2.gz SKNTWMFPSAFSCJ-UHFFFAOYSA-N -1 0 348.322 1.863 50 0 EDAARM COc1cc(C2(C(=O)[N-]S(=O)(=O)c3cnn(C)c3)CC2)ccc1C ZINC000069813700 442047801 /nfs/dbraw/zinc/04/78/01/442047801.db2.gz BZLPNCGGZICDER-UHFFFAOYSA-N -1 0 349.412 1.274 50 0 EDAARM Cc1cccc(CS(=O)(=O)[N-]c2ncn(Cc3ccncc3)n2)c1 ZINC000097140229 442174163 /nfs/dbraw/zinc/17/41/63/442174163.db2.gz MDXXHXQDEXGNPB-UHFFFAOYSA-N -1 0 343.412 1.972 50 0 EDAARM O=C([O-])/C=C\c1ccc(S(=O)(=O)NCCNc2ccccn2)cc1 ZINC000096936125 442151348 /nfs/dbraw/zinc/15/13/48/442151348.db2.gz IHWPFRXFUCSZOH-TWGQIWQCSA-N -1 0 347.396 1.570 50 0 EDAARM CCc1nc(C)ncc1C(=O)[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC000169989260 442228372 /nfs/dbraw/zinc/22/83/72/442228372.db2.gz BBIZPRAUZVSEHS-UHFFFAOYSA-N -1 0 341.339 1.744 50 0 EDAARM O=C([O-])C[C@H]1COCCN1S(=O)(=O)c1ccc(Cl)s1 ZINC000128299844 442257995 /nfs/dbraw/zinc/25/79/95/442257995.db2.gz AKNZESHKJOZXHD-ZETCQYMHSA-N -1 0 325.795 1.266 50 0 EDAARM Cc1cc([N-]S(=O)(=O)c2ccc(C(=O)N3CCCC3)cc2)nn1C ZINC000252481977 443027771 /nfs/dbraw/zinc/02/77/71/443027771.db2.gz CWEQQHKWGFMFGR-UHFFFAOYSA-N -1 0 348.428 1.765 50 0 EDAARM O=C([O-])CC[C@@]1(CCC(=O)NCc2ccccc2F)CCC(=O)N1 ZINC000223657019 443092242 /nfs/dbraw/zinc/09/22/42/443092242.db2.gz WKLZRUKNQGSGDY-QGZVFWFLSA-N -1 0 336.363 1.736 50 0 EDAARM O=C([O-])CO[C@@H]1COCC[C@H]1NC(=O)c1cccc(Cl)c1F ZINC000223021315 443083974 /nfs/dbraw/zinc/08/39/74/443083974.db2.gz HTJVDGGAHYCSKH-GHMZBOCLSA-N -1 0 331.727 1.468 50 0 EDAARM Cc1cn2c(n1)CC[C@H](NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1)C2 ZINC000225586711 443113889 /nfs/dbraw/zinc/11/38/89/443113889.db2.gz IPKQWRRGUJNWEV-LBPRGKRZSA-N -1 0 349.412 1.491 50 0 EDAARM Cc1ccc(CN2C[C@@H](C(=O)N[C@](C)(C(=O)[O-])C3CC3)CC2=O)cc1 ZINC000237727467 443181585 /nfs/dbraw/zinc/18/15/85/443181585.db2.gz KEHJLJTUHTXHQH-LIRRHRJNSA-N -1 0 344.411 1.713 50 0 EDAARM Cc1ccccc1-n1cc(C(=O)N(CC(=O)[O-])C2CCOCC2)cn1 ZINC000237730501 443181590 /nfs/dbraw/zinc/18/15/90/443181590.db2.gz NSTVQSXWNRAQRI-UHFFFAOYSA-N -1 0 343.383 1.887 50 0 EDAARM Cc1noc2nc(C3CC3)cc(C(=O)N3CCO[C@@H](C(=O)[O-])C3)c12 ZINC000262366801 443191826 /nfs/dbraw/zinc/19/18/26/443191826.db2.gz FGFDMLKPVLQWFK-GFCCVEGCSA-N -1 0 331.328 1.334 50 0 EDAARM O=C([O-])[C@@H]1CCCN1C(=O)CCCn1nnc(-c2ccccc2)n1 ZINC000238062206 443193543 /nfs/dbraw/zinc/19/35/43/443193543.db2.gz ZYGMLBBURKBYKJ-ZDUSSCGKSA-N -1 0 329.360 1.196 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)[C@H]2CC(=O)N(c3ccc(F)cc3F)C2)C1 ZINC000238091627 443194852 /nfs/dbraw/zinc/19/48/52/443194852.db2.gz AZQSULDSFWOOSJ-UWVGGRQHSA-N -1 0 338.310 1.251 50 0 EDAARM Cc1ccc(N2C[C@@H](C(=O)N3CCO[C@H](CC(=O)[O-])C3)CC2=O)cc1 ZINC000268941176 443154676 /nfs/dbraw/zinc/15/46/76/443154676.db2.gz DXTQGNUPIXNLSV-DZGCQCFKSA-N -1 0 346.383 1.050 50 0 EDAARM CCCn1[nH]ccc1=NC(=O)CN1CC[C@H](CNc2ccccn2)C1 ZINC000263628200 443234399 /nfs/dbraw/zinc/23/43/99/443234399.db2.gz WOCIIVVEJVJVHV-OAHLLOKOSA-N -1 0 342.447 1.483 50 0 EDAARM O=C([O-])[C@@H]1CCCN1CC(=O)NCC1(c2ccccc2)CCOCC1 ZINC000262679230 443207262 /nfs/dbraw/zinc/20/72/62/443207262.db2.gz VKRIMRIIXIFSJC-INIZCTEOSA-N -1 0 346.427 1.400 50 0 EDAARM O=C([O-])[C@H]1CN(C(=O)COc2ccc(C(F)(F)F)cc2)CCO1 ZINC000262926803 443216957 /nfs/dbraw/zinc/21/69/57/443216957.db2.gz FUCNQPIRLUHPGI-LLVKDONJSA-N -1 0 333.262 1.396 50 0 EDAARM Cn1cc(C(=O)N[C@H](Cc2c[nH]c3cc(F)ccc23)C(=O)[O-])cn1 ZINC000097231232 325705957 /nfs/dbraw/zinc/70/59/57/325705957.db2.gz RALGQPBKKUGJFW-CQSZACIVSA-N -1 0 330.319 1.466 50 0 EDAARM Cc1ccn2nc(C(=O)N3Cc4nc[nH]c4C[C@H]3C(=O)[O-])cc2c1 ZINC000426627664 447482412 /nfs/dbraw/zinc/48/24/12/447482412.db2.gz JXNNXPVWZDTZLR-AWEZNQCLSA-N -1 0 325.328 1.018 50 0 EDAARM CCCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)c2cccc(=O)n2[O-])C1 ZINC000408515680 447668786 /nfs/dbraw/zinc/66/87/86/447668786.db2.gz YAUDRFNXEUIEJW-QWHCGFSZSA-N -1 0 335.404 1.243 50 0 EDAARM Cc1ccc(CCC(=O)N2CC(CN3C(=O)COC3=O)C2)cc1C ZINC000575615536 447873599 /nfs/dbraw/zinc/87/35/99/447873599.db2.gz GCMQSHSZJGLSFK-UHFFFAOYSA-N -1 0 330.384 1.673 50 0 EDAARM CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)[C@@H]1CCCS1(=O)=O ZINC000582796107 448343841 /nfs/dbraw/zinc/34/38/41/448343841.db2.gz JXIQCJCJLMWYJT-ZDUSSCGKSA-N -1 0 341.385 1.688 50 0 EDAARM C[C@H](CS(C)(=O)=O)N(C(=O)CC1(CC(=O)[O-])CCCC1)C1CC1 ZINC000585134409 448705430 /nfs/dbraw/zinc/70/54/30/448705430.db2.gz RKVUERHQRPMAIJ-GFCCVEGCSA-N -1 0 345.461 1.836 50 0 EDAARM CN1CCc2c(CNC(=O)c3ccco3)c3c(c(O)c2C1=O)OCO3 ZINC000604404482 449226788 /nfs/dbraw/zinc/22/67/88/449226788.db2.gz OLGXIHMDNRLIMD-UHFFFAOYSA-N -1 0 344.323 1.272 50 0 EDAARM O=C([O-])[C@H](Cc1ccncc1)NC(=O)Cc1ccc2c(c1)CCCO2 ZINC000655597651 452418593 /nfs/dbraw/zinc/41/85/93/452418593.db2.gz VHODYZNMJBEOSV-INIZCTEOSA-N -1 0 340.379 1.761 50 0 EDAARM Cc1cc2c(cc1Br)N(Cc1n[nH]c(=O)[n-]1)C[C@@H](C)O2 ZINC000092619060 485948395 /nfs/dbraw/zinc/94/83/95/485948395.db2.gz MRKLVYOSQFJRNZ-MRVPVSSYSA-N -1 0 339.193 1.956 50 0 EDAARM O=C(c1ccc(Br)cn1)N1CCC[C@@H](c2nnn[n-]2)C1 ZINC000170056993 486169212 /nfs/dbraw/zinc/16/92/12/486169212.db2.gz WOMKXLATCOKNQS-MRVPVSSYSA-N -1 0 337.181 1.377 50 0 EDAARM Cc1nc(CS(=O)(=O)N2[C@@H]3CCCC[C@H]3C[C@H]2C(=O)[O-])cs1 ZINC000669451034 486207155 /nfs/dbraw/zinc/20/71/55/486207155.db2.gz PEGXTARTWYJGQJ-UHTWSYAYSA-N -1 0 344.458 1.999 50 0 EDAARM CC(C)[C@@H](NC(=O)c1nc(N2CCCC2)ncc1Cl)C(=O)[O-] ZINC000236722427 535224710 /nfs/dbraw/zinc/22/47/10/535224710.db2.gz QNLFAJUWFAYIEH-SNVBAGLBSA-N -1 0 326.784 1.569 50 0 EDAARM CC[C@H](C)[C@@H](NC(=O)Cn1nc(-c2ccccc2)ccc1=O)C(=O)[O-] ZINC000207716429 535854751 /nfs/dbraw/zinc/85/47/51/535854751.db2.gz MQXBCBVPCOSUBF-YVEFUNNKSA-N -1 0 343.383 1.526 50 0 EDAARM CN(CCC(=O)[O-])C(=O)C1(c2ccc(F)cc2F)CCOCC1 ZINC000237216234 536309130 /nfs/dbraw/zinc/30/91/30/536309130.db2.gz SCMYBHUKQUDRIF-UHFFFAOYSA-N -1 0 327.327 1.946 50 0 EDAARM CN1C(=O)c2ccc(C(=O)N3CCC[C@H](CCC(=O)[O-])C3)cc2C1=O ZINC000262158805 536327200 /nfs/dbraw/zinc/32/72/00/536327200.db2.gz MYQFYBIHZHMCPX-LLVKDONJSA-N -1 0 344.367 1.629 50 0 EDAARM Cn1ncc2c1[n-]cc(C(=O)Nc1ccnn1C[C@H]1CCOC1)c2=O ZINC000119205551 590953846 /nfs/dbraw/zinc/95/38/46/590953846.db2.gz IPODYIMDODQRRC-SNVBAGLBSA-N -1 0 342.359 1.159 50 0 EDAARM O=C([O-])Cn1nc([C@@H]2CCOC2)nc1-c1cnn(-c2ccccc2)c1 ZINC000097745208 219053601 /nfs/dbraw/zinc/05/36/01/219053601.db2.gz MVZWOOLJQQHWTF-GFCCVEGCSA-N -1 0 339.355 1.719 50 0 EDAARM NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cccs2)c1 ZINC000049463505 214009521 /nfs/dbraw/zinc/00/95/21/214009521.db2.gz PWZQXNOQAXAASR-UHFFFAOYSA-N -1 0 332.428 1.337 50 0 EDAARM O=C([O-])[C@@]12CCC(=O)N1c1ccccc1C(=O)N2Cc1ccco1 ZINC000004206980 210145081 /nfs/dbraw/zinc/14/50/81/210145081.db2.gz VYRSDMYXIBQWTJ-QGZVFWFLSA-N -1 0 326.308 1.843 50 0 EDAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@@H](CC(C)C)C(=O)[O-] ZINC000004061492 210109953 /nfs/dbraw/zinc/10/99/53/210109953.db2.gz DMYDXEMBBNXGLF-AWEZNQCLSA-N -1 0 347.367 1.965 50 0 EDAARM COc1ccc(N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)[O-])[C@@H]4C2=O)c(OC)c1 ZINC000003881825 210083236 /nfs/dbraw/zinc/08/32/36/210083236.db2.gz BUSCMEVMRSMUDE-LSCFUAHRSA-N -1 0 331.324 1.075 50 0 EDAARM O=C([O-])C1=Nc2ncnn2[C@H](c2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000102171712 219188363 /nfs/dbraw/zinc/18/83/63/219188363.db2.gz BUQKPELVEAGJLW-LBPRGKRZSA-N -1 0 326.291 1.791 50 0 EDAARM O=C([O-])c1nn(CC2CC2)c2c1CN(C(=O)c1ccc(O)cn1)CC2 ZINC000067697005 215188625 /nfs/dbraw/zinc/18/86/25/215188625.db2.gz JGHMPDHXKKVBMO-UHFFFAOYSA-N -1 0 342.355 1.290 50 0 EDAARM C[C@@H]1CCCC[C@]12NC(=O)N(CC(=O)[N-]OCc1ccccc1)C2=O ZINC000036727595 213113302 /nfs/dbraw/zinc/11/33/02/213113302.db2.gz QMAHFPNXYULLGR-ACJLOTCBSA-N -1 0 345.399 1.735 50 0 EDAARM O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@@H]1COc2ccccc2O1 ZINC000035686319 213047114 /nfs/dbraw/zinc/04/71/14/213047114.db2.gz ITLUQYSOARYKJW-BBRMVZONSA-N -1 0 327.336 1.639 50 0 EDAARM COc1ccc(OC)c(S(=O)(=O)N[C@@H](CCSC)C(=O)[O-])c1 ZINC000035686140 213046185 /nfs/dbraw/zinc/04/61/85/213046185.db2.gz XTEAHTVUHGSREL-JTQLQIEISA-N -1 0 349.430 1.188 50 0 EDAARM Cc1nn(CCNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c(C)c1Cl ZINC000035670949 213045451 /nfs/dbraw/zinc/04/54/51/213045451.db2.gz TUBBNEMNBDXTIE-NEPJUHHUSA-N -1 0 325.796 1.937 50 0 EDAARM CNc1ncc(C(=O)N2CC[C@@H](c3ccccc3C(=O)[O-])C2)cn1 ZINC000072162321 216050932 /nfs/dbraw/zinc/05/09/32/216050932.db2.gz XUNSOYRCXOVGLA-LLVKDONJSA-N -1 0 326.356 1.846 50 0 EDAARM O=C(NCCS(=O)(=O)NCC1CCC1)c1ccc([O-])c(Cl)c1 ZINC000072275007 216099984 /nfs/dbraw/zinc/09/99/84/216099984.db2.gz GETOWJJTRNAHRB-UHFFFAOYSA-N -1 0 346.836 1.495 50 0 EDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)NCCc2ccccc2)CC1 ZINC000072476820 216254706 /nfs/dbraw/zinc/25/47/06/216254706.db2.gz RDPPRTINPRIGJM-UHFFFAOYSA-N -1 0 342.399 1.711 50 0 EDAARM Cc1cnn(C2(C(=O)[O-])CCN(C(=O)Cc3c(C)noc3C)CC2)c1 ZINC000072475550 216253437 /nfs/dbraw/zinc/25/34/37/216253437.db2.gz ZYBZBSDDDFWQRS-UHFFFAOYSA-N -1 0 346.387 1.441 50 0 EDAARM Cc1cc(C(=O)N[C@@H]2CCOC[C@H]2Oc2ccc(C(=O)[O-])cc2)on1 ZINC000220275437 241436118 /nfs/dbraw/zinc/43/61/18/241436118.db2.gz QXRCDHVYVYNQEC-UKRRQHHQSA-N -1 0 346.339 1.648 50 0 EDAARM Cc1nn(-c2cccc(Cl)c2)nc1C(=O)N1CCC[C@H]1C(=O)[O-] ZINC000225444770 241865450 /nfs/dbraw/zinc/86/54/50/241865450.db2.gz NBGBXEKOAAJERJ-LBPRGKRZSA-N -1 0 334.763 1.918 50 0 EDAARM O=C([O-])[C@@H]1Cc2ccccc2CN1C(=O)[C@@H]1COc2ccccc2O1 ZINC000268943080 304152303 /nfs/dbraw/zinc/15/23/03/304152303.db2.gz KWETYEXVPNKSAP-YOEHRIQHSA-N -1 0 339.347 1.865 50 0 EDAARM O=C([O-])C1CCN([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)CC1 ZINC000019720840 212058132 /nfs/dbraw/zinc/05/81/32/212058132.db2.gz ODCYARGJQGXETG-CYBMUJFWSA-N -1 0 336.775 1.769 50 0 EDAARM CN(CC(=O)NCc1ccc(C(=O)[O-])cc1)C(=O)c1cccs1 ZINC000078355224 217044598 /nfs/dbraw/zinc/04/45/98/217044598.db2.gz ZFHHCJDRNPUMCU-UHFFFAOYSA-N -1 0 332.381 1.835 50 0 EDAARM O=C([O-])[C@H]1CCCN1S(=O)(=O)c1ccccc1OC(F)(F)F ZINC000072280287 304187929 /nfs/dbraw/zinc/18/79/29/304187929.db2.gz QYRJNSHSECNUGY-MRVPVSSYSA-N -1 0 339.291 1.823 50 0 EDAARM COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)[O-])cc3C2=O)cc1 ZINC000000240492 284559157 /nfs/dbraw/zinc/55/91/57/284559157.db2.gz SGSUWYULXSQHNT-UHFFFAOYSA-N -1 0 325.276 1.972 50 0 EDAARM O=C([O-])[C@H]1Cc2ccccc2CN1C(=O)c1n[nH]c(=O)c2ccccc21 ZINC000238041075 304207368 /nfs/dbraw/zinc/20/73/68/304207368.db2.gz VHLJBYGRRDIZBP-OAHLLOKOSA-N -1 0 349.346 1.575 50 0 EDAARM Cc1c2ccc(O)cc2oc(=O)c1CC(=O)N[C@H](CC(C)C)C(=O)[O-] ZINC000011865391 211261443 /nfs/dbraw/zinc/26/14/43/211261443.db2.gz DMYDXEMBBNXGLF-CQSZACIVSA-N -1 0 347.367 1.965 50 0 EDAARM CC[C@H](C)[C@H](NC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)C(=O)[O-] ZINC000010219801 211155165 /nfs/dbraw/zinc/15/51/65/211155165.db2.gz DNTHCRKMZOQPPL-GWCFXTLKSA-N -1 0 342.417 1.166 50 0 EDAARM C[C@H](NC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC000009530589 211099928 /nfs/dbraw/zinc/09/99/28/211099928.db2.gz NLBWBTPRTXMCDR-NSHDSACASA-N -1 0 344.371 1.108 50 0 EDAARM CC(C)(C)c1cc(CN2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])[nH]n1 ZINC000095374039 218306241 /nfs/dbraw/zinc/30/62/41/218306241.db2.gz PMTJWNZDNPAPFT-GFCCVEGCSA-N -1 0 334.420 1.263 50 0 EDAARM CCc1ccccc1-n1cc([O-])c(C(=O)NCCc2cnn(C)c2)n1 ZINC000095409472 218345177 /nfs/dbraw/zinc/34/51/77/218345177.db2.gz LSTHUHVWADMWGV-UHFFFAOYSA-N -1 0 339.399 1.846 50 0 EDAARM COc1cc(NC(=O)C2CCN(C(=O)N(C)C)CC2)ccc1C(=O)[O-] ZINC000262311493 139268984 /nfs/dbraw/zinc/26/89/84/139268984.db2.gz YYVAGXZDNCZQMI-UHFFFAOYSA-N -1 0 349.387 1.726 50 0 EDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)Nc1ccc(F)c(-n2nnnc2C2CC2)c1 ZINC000262419300 139277858 /nfs/dbraw/zinc/27/78/58/139277858.db2.gz PWIJDRHACNHUDV-NXEZZACHSA-N -1 0 331.307 1.338 50 0 EDAARM O=C([O-])[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CCOC1CCOCC1 ZINC000262460883 139280624 /nfs/dbraw/zinc/28/06/24/139280624.db2.gz VUUYEMLGWVYMEA-YUELXQCFSA-N -1 0 325.405 1.816 50 0 EDAARM O=C([O-])[C@@H]1CC12CCN(C(=O)c1ccc(N3CCNC3=O)cc1)CC2 ZINC000262492482 139282175 /nfs/dbraw/zinc/28/21/75/139282175.db2.gz WSTPBLMNOFJAQL-AWEZNQCLSA-N -1 0 343.383 1.543 50 0 EDAARM C[C@@]1(NC(=O)c2ccc(S(C)(=O)=O)o2)CCCC[C@H]1C(=O)[O-] ZINC000262720347 139298872 /nfs/dbraw/zinc/29/88/72/139298872.db2.gz DSKRACBRHTVKPN-LKFCYVNXSA-N -1 0 329.374 1.446 50 0 EDAARM C[C@H](OC[C@@H]1CCCO1)C(=O)N1C[C@H](C(=O)[O-])[C@H](c2ccccc2)C1 ZINC000262788981 139303608 /nfs/dbraw/zinc/30/36/08/139303608.db2.gz BRACMDDHIGQXKM-HJWJTTGWSA-N -1 0 347.411 1.897 50 0 EDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cnn(C(C)(C)C(=O)[O-])c1 ZINC000262829558 139306451 /nfs/dbraw/zinc/30/64/51/139306451.db2.gz RFVBYIGCEWOAIQ-VIFPVBQESA-N -1 0 333.392 1.795 50 0 EDAARM Cn1c2ccccc2n(CC(=O)N[C@]2(C)CCCC[C@@H]2C(=O)[O-])c1=O ZINC000262895769 139311089 /nfs/dbraw/zinc/31/10/89/139311089.db2.gz ZJCWSEGSSWMLRC-KZULUSFZSA-N -1 0 345.399 1.490 50 0 EDAARM CC(C)NC(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-] ZINC000263253531 139331222 /nfs/dbraw/zinc/33/12/22/139331222.db2.gz KFUVNVDJLBRWED-GJZGRUSLSA-N -1 0 347.415 1.381 50 0 EDAARM O=C([O-])CNC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccccc1 ZINC000004837627 210293512 /nfs/dbraw/zinc/29/35/12/210293512.db2.gz UVFKJRKPUYFYKD-GDNBJRDFSA-N -1 0 342.326 1.797 50 0 EDAARM O=C([O-])c1ccccc1CCC(=O)N[C@@H]1CCO[C@]2(CCOC2)C1 ZINC000263231743 304268933 /nfs/dbraw/zinc/26/89/33/304268933.db2.gz BSAYZENPRWJPIB-RDTXWAMCSA-N -1 0 333.384 1.772 50 0 EDAARM Cc1ccc(N2CC[C@@H](C(=O)N3CCO[C@H](CC(=O)[O-])C3)C2=O)cc1 ZINC000299753012 258006804 /nfs/dbraw/zinc/00/68/04/258006804.db2.gz WMJHTWAHRHZHCY-CABCVRRESA-N -1 0 346.383 1.050 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)Cc1csc(Cc2ccccc2)n1 ZINC000299752058 258007065 /nfs/dbraw/zinc/00/70/65/258007065.db2.gz SOOXDYZAOPIVKF-AWEZNQCLSA-N -1 0 346.408 1.588 50 0 EDAARM Cc1ccc([C@@H]2OCCC[C@@H]2C(=O)N2CCO[C@@H](C(=O)[O-])C2)cc1 ZINC000299748511 258007989 /nfs/dbraw/zinc/00/79/89/258007989.db2.gz HGWGOKUGULCKLT-XHSDSOJGSA-N -1 0 333.384 1.775 50 0 EDAARM O=C([O-])CCN(C(=O)c1ccc2c(c1)CCC(=O)N2)C1CCOCC1 ZINC000299748854 258008083 /nfs/dbraw/zinc/00/80/83/258008083.db2.gz ILPWELWPDJIFOY-UHFFFAOYSA-N -1 0 346.383 1.667 50 0 EDAARM CCn1cc(NC(=O)CCC(=O)[O-])c(C(=O)NCc2ccco2)n1 ZINC000006490201 258052021 /nfs/dbraw/zinc/05/20/21/258052021.db2.gz ISIOHKPSNOERDQ-UHFFFAOYSA-N -1 0 334.332 1.229 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc(C(=O)c3cc[nH]c3)cc2)CCO1 ZINC000345855748 143140037 /nfs/dbraw/zinc/14/00/37/143140037.db2.gz CTMVREXLMPZPMU-AWEZNQCLSA-N -1 0 328.324 1.171 50 0 EDAARM CC[C@@H]1C(=O)N2CC[C@@H]3C[C@H](OC)[C@H](OC)C[C@H]3[C@@H]2C[C@@H]1C(=O)[O-] ZINC000247664205 286981327 /nfs/dbraw/zinc/98/13/27/286981327.db2.gz VFCPLZFIKCOYQN-NMCQGECBSA-N -1 0 339.432 1.774 50 0 EDAARM COC(=O)Nc1ccc(S(=O)(=O)[N-]c2nnc(C)s2)cc1 ZINC000000982387 267375807 /nfs/dbraw/zinc/37/58/07/267375807.db2.gz XWAGWFJRGQJYOI-UHFFFAOYSA-N -1 0 328.375 1.826 50 0 EDAARM CC(=O)Nc1cc(S(=O)(=O)N2CCCC[C@H]2C(=O)[O-])ccc1F ZINC000262659620 278186148 /nfs/dbraw/zinc/18/61/48/278186148.db2.gz LJLDRVLMBICNLQ-ZDUSSCGKSA-N -1 0 344.364 1.412 50 0 EDAARM CO[C@@H]1CCC[C@@H]1[C@H]1COCCN1C(=O)c1ccnc(C(=O)[O-])c1 ZINC000263572708 293693135 /nfs/dbraw/zinc/69/31/35/293693135.db2.gz LIKADUKZJPTCAV-BPLDGKMQSA-N -1 0 334.372 1.436 50 0 EDAARM COc1cccc([C@@H](c2sc3ncnn3c2[O-])N2CCOCC2)c1 ZINC000022609857 295315246 /nfs/dbraw/zinc/31/52/46/295315246.db2.gz CVQWZDHYNBBZPI-ZDUSSCGKSA-N -1 0 346.412 1.927 50 0 EDAARM COc1cccc([C@H]2CC(C(=O)[O-])=Nc3nnnn32)c1OC(C)C ZINC000101675681 295326512 /nfs/dbraw/zinc/32/65/12/295326512.db2.gz RCDPMZJKICMEBG-LLVKDONJSA-N -1 0 331.332 1.452 50 0 EDAARM Cc1ccccc1[C@@H]1CN(C(=O)CCCn2cncn2)C[C@H]1C(=O)[O-] ZINC000091493741 302153686 /nfs/dbraw/zinc/15/36/86/302153686.db2.gz AQPVVCYUOFZGLC-JKSUJKDBSA-N -1 0 342.399 1.694 50 0 EDAARM C[C@@H]1C[C@H]1c1ccc(/C=C\C(=O)[N-]S(=O)(=O)c2cnccn2)o1 ZINC000492163797 305588184 /nfs/dbraw/zinc/58/81/84/305588184.db2.gz OWIYMFMMCOOHBI-SIIXBRRKSA-N -1 0 333.369 1.711 50 0 EDAARM O=C([O-])CN(c1ccc2c(c1)OCCO2)S(=O)(=O)c1ccccc1 ZINC000000555122 440831509 /nfs/dbraw/zinc/83/15/09/440831509.db2.gz ADFPMRGHMHJFMZ-UHFFFAOYSA-N -1 0 349.364 1.738 50 0 EDAARM COc1cc(OC)c2c(C)c(CC(=O)NCCC(=O)[O-])c(=O)oc2c1 ZINC000002113407 440857471 /nfs/dbraw/zinc/85/74/71/440857471.db2.gz OFVDBUYETRCEEN-UHFFFAOYSA-N -1 0 349.339 1.252 50 0 EDAARM CN(CC(=O)[O-])C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000002456003 440862959 /nfs/dbraw/zinc/86/29/59/440862959.db2.gz RXDREMGTSROIOX-UHFFFAOYSA-N -1 0 340.401 1.018 50 0 EDAARM Cc1ccccc1Cn1cc([N-]S(=O)(=O)c2cnn(C)c2)cn1 ZINC000002804396 440878324 /nfs/dbraw/zinc/87/83/24/440878324.db2.gz ROWIRQYAGFFXQD-UHFFFAOYSA-N -1 0 331.401 1.774 50 0 EDAARM O=C([O-])c1cccn2c(=O)c(NC(=O)c3ccc(F)cc3)cnc12 ZINC000003225009 440890911 /nfs/dbraw/zinc/89/09/11/440890911.db2.gz CGWBFSOAWREYIV-UHFFFAOYSA-N -1 0 327.271 1.784 50 0 EDAARM CC(NC[C@@H]1CCCO1)=C1C(=O)[N-]C(=O)N(Cc2ccccc2)C1=O ZINC000005816532 440970088 /nfs/dbraw/zinc/97/00/88/440970088.db2.gz QDADVKBMKNIKRG-YEQVNJDRSA-N -1 0 343.383 1.308 50 0 EDAARM COc1ccc(Br)cc1S(=O)(=O)[N-]c1nnc[nH]1 ZINC000006533364 440997401 /nfs/dbraw/zinc/99/74/01/440997401.db2.gz 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ZINC000075584268 441536742 /nfs/dbraw/zinc/53/67/42/441536742.db2.gz JYONTPYQDJRXII-TZMCWYRMSA-N -1 0 325.386 1.014 50 0 EDAARM CCOC(=O)c1[nH]c(C)c(S(=O)(=O)[N-]c2ccc(C)cn2)c1C ZINC000035480223 441603717 /nfs/dbraw/zinc/60/37/17/441603717.db2.gz YXRDNIIKIGTEFV-UHFFFAOYSA-N -1 0 337.401 2.312 50 0 EDAARM CC(C)(NC(=O)OCc1ccccc1)C1=NC(C(=O)[O-])C(=O)C(=O)N1 ZINC000095836232 441953428 /nfs/dbraw/zinc/95/34/28/441953428.db2.gz QRGVJIXXHJKLHH-UHFFFAOYSA-N -1 0 347.327 1.748 50 0 EDAARM COC(=O)c1c(C)ccc(F)c1[N-]S(=O)(=O)c1cn(C)c(C)n1 ZINC000069709731 442020000 /nfs/dbraw/zinc/02/00/00/442020000.db2.gz CRJRBIMSOINEGQ-UHFFFAOYSA-N -1 0 341.364 1.763 50 0 EDAARM COC(=O)c1cccc(S(=O)(=O)[N-]C(=O)/C=C\c2ccco2)c1 ZINC000096291697 442110344 /nfs/dbraw/zinc/11/03/44/442110344.db2.gz IYIYJWAVCHMTAK-FPLPWBNLSA-N -1 0 335.337 1.585 50 0 EDAARM O=C(c1n[nH]c(=O)[n-]1)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000096461255 442137912 /nfs/dbraw/zinc/13/79/12/442137912.db2.gz FNMIBSHBHAYFIZ-LLVKDONJSA-N -1 0 340.343 1.928 50 0 EDAARM Cc1nn(CC(C)C)c(C)c1S(=O)(=O)[N-]c1nc2ccccn2n1 ZINC000097164251 442177579 /nfs/dbraw/zinc/17/75/79/442177579.db2.gz ZCXZVLMIXVOUHX-UHFFFAOYSA-N -1 0 348.432 1.999 50 0 EDAARM CCc1nn(C)c(CC)c1S(=O)(=O)[N-]c1ccc2nncn2c1 ZINC000097048823 442160345 /nfs/dbraw/zinc/16/03/45/442160345.db2.gz SJEBORHATSVVNT-UHFFFAOYSA-N -1 0 334.405 1.388 50 0 EDAARM C[C@H]1CO[C@H](c2ccccc2Cl)CN1CC(=O)NCC(=O)[O-] ZINC000170593609 442233574 /nfs/dbraw/zinc/23/35/74/442233574.db2.gz KBQSZQSWWBSGOO-GWCFXTLKSA-N -1 0 326.780 1.303 50 0 EDAARM O=C([O-])[C@@H]1CCN(C(=O)[C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000178272062 442420355 /nfs/dbraw/zinc/42/03/55/442420355.db2.gz GDCVCYOTAJHRPE-MFKMUULPSA-N -1 0 336.775 1.626 50 0 EDAARM O=C([O-])[C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(F)(F)F)O1 ZINC000189040158 442864961 /nfs/dbraw/zinc/86/49/61/442864961.db2.gz FQLWPBMRYSISTG-TUAOUCFPSA-N -1 0 331.290 1.908 50 0 EDAARM O=S(=O)(C[C@@H]1CCCCO1)c1nc(-c2ccccc2F)n[n-]1 ZINC000195131495 442987525 /nfs/dbraw/zinc/98/75/25/442987525.db2.gz WGNNVHIUWXGLLD-JTQLQIEISA-N -1 0 325.365 1.954 50 0 EDAARM C[C@@H]([N-]C(=O)C(F)(F)Cl)C(=O)Nc1ccc(-n2cncn2)cc1 ZINC000195570568 443032610 /nfs/dbraw/zinc/03/26/10/443032610.db2.gz FTKRVFJWEOLHIE-MRVPVSSYSA-N -1 0 343.721 1.542 50 0 EDAARM COc1cc(N2C(=O)N[C@H](CCC(=O)[O-])C2=O)cc(OC)c1OC ZINC000252499310 443035211 /nfs/dbraw/zinc/03/52/11/443035211.db2.gz RYPNARKFSGIVLE-SECBINFHSA-N -1 0 338.316 1.002 50 0 EDAARM C[C@@H](C1CC1)n1cc(NC(=O)N2CCC[C@@H](c3n[n-]c(=O)o3)C2)cn1 ZINC000252510903 443038175 /nfs/dbraw/zinc/03/81/75/443038175.db2.gz ZRDHQQQJKVYESW-CMPLNLGQSA-N -1 0 346.391 1.942 50 0 EDAARM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@@H]1C[C@H]1C(=O)[O-] ZINC000253429760 443068496 /nfs/dbraw/zinc/06/84/96/443068496.db2.gz IFBYQQDNMSOEHN-HUUCEWRRSA-N -1 0 327.384 1.885 50 0 EDAARM Cc1c(S(=O)(=O)[N-]c2nc3ncccn3n2)c2ccccc2n1C ZINC000225434942 443103731 /nfs/dbraw/zinc/10/37/31/443103731.db2.gz LVTRMRKLTWUTLT-UHFFFAOYSA-N -1 0 342.384 1.725 50 0 EDAARM CCc1nc([N-]S(=O)(=O)c2cc3c4c(c2)CCCN4C(=O)C3)no1 ZINC000184952711 443105931 /nfs/dbraw/zinc/10/59/31/443105931.db2.gz VHUXOMJJBGPQOW-UHFFFAOYSA-N -1 0 348.384 1.268 50 0 EDAARM Cc1c(C(=O)N2CCOC[C@H]2C(=O)[O-])cnn1Cc1ccccc1 ZINC000268986453 443167272 /nfs/dbraw/zinc/16/72/72/443167272.db2.gz QISDKAFNAVTGGL-HNNXBMFYSA-N -1 0 329.356 1.165 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2F)CCO1 ZINC000238196656 443196548 /nfs/dbraw/zinc/19/65/48/443196548.db2.gz BKHJEDNRHJOLQZ-RAIGVLPGSA-N -1 0 325.311 1.770 50 0 EDAARM C[C@@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000262124904 443183711 /nfs/dbraw/zinc/18/37/11/443183711.db2.gz MXGOBDWHMSARMP-GXFFZTMASA-N -1 0 343.376 1.454 50 0 EDAARM CCn1cc(S(=O)(=O)N2CCc3ccccc3C2)cc1C(=O)[O-] ZINC000237025675 443157278 /nfs/dbraw/zinc/15/72/78/443157278.db2.gz ACIHHQXFFUXXGU-UHFFFAOYSA-N -1 0 334.397 1.953 50 0 EDAARM CCn1c(=O)[nH]c2cc(C(=O)N3CCCC[C@@H]3C(=O)[O-])ccc2c1=O ZINC000262606197 443202918 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CCN(CCOC)C(=O)c1ccc(-c2cncc(C(=O)[O-])n2)cc1 ZINC000426667416 447488240 /nfs/dbraw/zinc/48/82/40/447488240.db2.gz ITMMYIRTAZUCPJ-UHFFFAOYSA-N -1 0 329.356 1.950 50 0 EDAARM C[C@@H](C(=O)[N-]S(=O)(=O)c1ccsc1)N(C)CC(F)(F)F ZINC000390833518 447501880 /nfs/dbraw/zinc/50/18/80/447501880.db2.gz IQYJNJJXXYQEOC-ZETCQYMHSA-N -1 0 330.353 1.436 50 0 EDAARM Cn1cc(/C=C/c2nc3ccc(C(=O)[O-])cc3s2)c(=O)n(C)c1=O ZINC000390835608 447502724 /nfs/dbraw/zinc/50/27/24/447502724.db2.gz SGZXAIQPIJWYTJ-GQCTYLIASA-N -1 0 343.364 1.562 50 0 EDAARM Cc1ccc(N2CCCC2=O)c(C(=O)N2CCO[C@@H](C(=O)[O-])C2)c1 ZINC000408513479 447667520 /nfs/dbraw/zinc/66/75/20/447667520.db2.gz XPCVJQFAPAPUMG-CQSZACIVSA-N -1 0 332.356 1.047 50 0 EDAARM CSCC[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1nn[n-]n1 ZINC000408515031 447668620 /nfs/dbraw/zinc/66/86/20/447668620.db2.gz NTXWBBWXLROKSD-LLVKDONJSA-N -1 0 345.384 1.530 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)CCOc2ccc(F)cc2Cl)CCO1 ZINC000583650653 448455405 /nfs/dbraw/zinc/45/54/05/448455405.db2.gz 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441138733 /nfs/dbraw/zinc/13/87/33/441138733.db2.gz MALOKLCJSDJLLV-UHFFFAOYSA-N -1 0 327.410 1.852 50 0 EDAARM CCOC(=O)c1nc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])C2(C)C)sc1C ZINC000071280605 441142938 /nfs/dbraw/zinc/14/29/38/441142938.db2.gz HHQYCDDZOQZUKE-YUMQZZPRSA-N -1 0 326.374 1.924 50 0 EDAARM Cc1nn(C)c(Oc2cccnc2)c1[N-]S(=O)(=O)c1cnn(C)c1 ZINC000071793205 441154839 /nfs/dbraw/zinc/15/48/39/441154839.db2.gz VOWWZYKTBVETGF-UHFFFAOYSA-N -1 0 348.388 1.450 50 0 EDAARM O=C([O-])COCC(=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 ZINC000017072207 441237055 /nfs/dbraw/zinc/23/70/55/441237055.db2.gz MPFXJEUQJHSZLX-UHFFFAOYSA-N -1 0 347.198 1.743 50 0 EDAARM CC(=O)Nc1ccc(-c2ccnc3nc(CCC(=O)[O-])nn32)cc1 ZINC000047474145 441193856 /nfs/dbraw/zinc/19/38/56/441193856.db2.gz ILZBPAYMRDPDSV-UHFFFAOYSA-N -1 0 325.328 1.767 50 0 EDAARM CS(=O)(=O)[N-]C(=O)c1cnn(-c2cccc(Br)c2)c1 ZINC000072270440 441214617 /nfs/dbraw/zinc/21/46/17/441214617.db2.gz VVJYACFMFBXYPX-UHFFFAOYSA-N -1 0 344.190 1.324 50 0 EDAARM 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/nfs/dbraw/zinc/17/62/13/301176213.db2.gz WZTVCDXECCEDTN-CHWSQXEVSA-N -1 0 327.402 1.129 50 0 EDAARM Cc1ccc(NS(=O)(=O)N=C([O-])Nc2nc(C)cc(C)n2)nc1 ZINC000000186770 440804911 /nfs/dbraw/zinc/80/49/11/440804911.db2.gz SRTGTAYFIKJYMO-UHFFFAOYSA-N -1 0 336.377 1.275 50 0 EDAARM O=C(CCn1c(=O)c2cc3c(cc2[n-]c1=S)OCO3)NC1CC1 ZINC000000425102 440822192 /nfs/dbraw/zinc/82/21/92/440822192.db2.gz IWWCQIFORIYIDV-UHFFFAOYSA-N -1 0 333.369 1.456 50 0 EDAARM C[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccco1)C(=O)[O-] ZINC000002949610 440884027 /nfs/dbraw/zinc/88/40/27/440884027.db2.gz OPKYTNQEKONRQZ-COVOJHCQSA-N -1 0 328.324 1.640 50 0 EDAARM CC(C)Cn1nc(C(=O)[N-]C2=NCCS2)c2ccccc2c1=O ZINC000044817134 440889451 /nfs/dbraw/zinc/88/94/51/440889451.db2.gz KFKCEFOURDISNE-UHFFFAOYSA-N -1 0 330.413 1.885 50 0 EDAARM COc1cc(Cl)c(C)cc1NC(=O)CSc1nncc(=O)[n-]1 ZINC000005237828 440943883 /nfs/dbraw/zinc/94/38/83/440943883.db2.gz ODPNETKOYXDUAN-UHFFFAOYSA-N -1 0 340.792 1.866 50 0 EDAARM O=C([O-])CNC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccco1 ZINC000004976783 440934063 /nfs/dbraw/zinc/93/40/63/440934063.db2.gz SUJLBQJPANEUCK-WQLSENKSSA-N -1 0 348.742 1.905 50 0 EDAARM O=C([O-])[C@@H]1CC=CC[C@@H]1C(=O)N1CCN(Cc2ccccc2)CC1 ZINC000006339410 440987387 /nfs/dbraw/zinc/98/73/87/440987387.db2.gz GDSJSRJKWNBJHQ-DLBZAZTESA-N -1 0 328.412 1.998 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2ccc3c(c2)C(C)(C)C(=O)N3C)nc1 ZINC000057280257 441104505 /nfs/dbraw/zinc/10/45/05/441104505.db2.gz PRKLCQMNQWFWLC-UHFFFAOYSA-N -1 0 345.424 2.445 50 0 EDAARM O=C([O-])[C@H]1CS[C@H](CC(=O)Nc2ccc(Cl)cc2)C(=O)N1 ZINC000009288377 441104746 /nfs/dbraw/zinc/10/47/46/441104746.db2.gz XHIBXYFJOKKPNO-NXEZZACHSA-N -1 0 328.777 1.353 50 0 EDAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2cccc(Cl)c2)cs1 ZINC000012536243 441135200 /nfs/dbraw/zinc/13/52/00/441135200.db2.gz JCMBXLOYNCFFFY-UHFFFAOYSA-N -1 0 345.833 2.349 50 0 EDAARM Cc1ccc(S(=O)(=O)[N-]c2cncnc2-n2cccn2)c(F)c1 ZINC000097379401 441138982 /nfs/dbraw/zinc/13/89/82/441138982.db2.gz 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CC(C)c1ccc([C@@H]2CC(c3c(=O)[nH]c(=O)n(C)c3[O-])=NN2)cc1 ZINC000101763628 441161572 /nfs/dbraw/zinc/16/15/72/441161572.db2.gz DSPVAPROXHZNHG-LBPRGKRZSA-N -1 0 328.372 1.341 50 0 EDAARM COC(=O)c1ccc2c(c1)[n-]c(=S)n(CC(=O)NCC(C)C)c2=O ZINC000017113267 441237159 /nfs/dbraw/zinc/23/71/59/441237159.db2.gz WZFPYJBTZJOCMW-UHFFFAOYSA-N -1 0 349.412 1.618 50 0 EDAARM NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc(F)c2)cc1 ZINC000016099580 441216623 /nfs/dbraw/zinc/21/66/23/441216623.db2.gz WQVOSMBWHNHNAZ-UHFFFAOYSA-N -1 0 330.362 1.274 50 0 EDAARM Cn1cc([C@H]2[C@H](C(=O)[O-])CC(=O)N2CCOc2cccc(F)c2)cn1 ZINC000072275768 441216899 /nfs/dbraw/zinc/21/68/99/441216899.db2.gz QWJYZLCIEKMIRP-ZBFHGGJFSA-N -1 0 347.346 1.612 50 0 EDAARM Cc1cc(=O)n2nc(C(=O)N3CCN(c4ccccc4)CC3)[n-]c2n1 ZINC000018221989 441250367 /nfs/dbraw/zinc/25/03/67/441250367.db2.gz AVHOWUQRMBKZKN-UHFFFAOYSA-N -1 0 338.371 1.101 50 0 EDAARM CS(=O)(=O)[N-]c1nc(CC(=O)Nc2ccc(Cl)cc2)cs1 ZINC000025052633 441328448 /nfs/dbraw/zinc/32/84/48/441328448.db2.gz POCYGMNEMYPFIT-UHFFFAOYSA-N -1 0 345.833 2.349 50 0 EDAARM CSc1ccc([N-]S(=O)(=O)c2cccc(-n3cnnn3)c2)cn1 ZINC000083992946 441380418 /nfs/dbraw/zinc/38/04/18/441380418.db2.gz WEBVNXDBTKWTHY-UHFFFAOYSA-N -1 0 348.413 1.580 50 0 EDAARM CCc1nn(CC)c(=O)c2cc(S(=O)(=O)[N-]c3ccccc3)cn21 ZINC000065247315 441410484 /nfs/dbraw/zinc/41/04/84/441410484.db2.gz WSJIKWSSCARATJ-UHFFFAOYSA-N -1 0 346.412 1.879 50 0 EDAARM CN1C(=O)COc2ccc(S(=O)(=O)[N-]c3nccs3)cc21 ZINC000074936353 441480795 /nfs/dbraw/zinc/48/07/95/441480795.db2.gz ZJFKQOMJMDXORC-UHFFFAOYSA-N -1 0 325.371 1.299 50 0 EDAARM C[C@@H](CCN1CCOCC1)NC(=O)c1cccc(NCC(=O)[O-])c1 ZINC000055308704 441640425 /nfs/dbraw/zinc/64/04/25/441640425.db2.gz KZTNQSRLQUESGD-ZDUSSCGKSA-N -1 0 335.404 1.024 50 0 EDAARM O=C(Cn1[n-]c(=O)ccc1=O)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000067650187 441663108 /nfs/dbraw/zinc/66/31/08/441663108.db2.gz INAODKFCVAKNHX-UHFFFAOYSA-N -1 0 343.314 1.664 50 0 EDAARM COc1ccc(NC(=O)Cn2cc(C(=O)[O-])ccc2=O)cc1Cl ZINC000041670491 441668182 /nfs/dbraw/zinc/66/81/82/441668182.db2.gz UZBFBYUBGXSPII-UHFFFAOYSA-N -1 0 336.731 1.847 50 0 EDAARM Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)[N-]S(C)(=O)=O ZINC000042279454 441719629 /nfs/dbraw/zinc/71/96/29/441719629.db2.gz PWNNBELNJNSPQK-UHFFFAOYSA-N -1 0 338.433 1.637 50 0 EDAARM C[C@@H](OC[C@@H]1CCCCO1)C(=O)[N-]S(=O)(=O)c1ccccc1 ZINC000069342981 441921262 /nfs/dbraw/zinc/92/12/62/441921262.db2.gz XBSISYFNGMQLDL-OLZOCXBDSA-N -1 0 327.402 1.466 50 0 EDAARM COc1ccc(Br)cc1CC(=O)N[C@H](C)CC(=O)[O-] ZINC000095425015 441925600 /nfs/dbraw/zinc/92/56/00/441925600.db2.gz UJLGZFVQDUDMBK-MRVPVSSYSA-N -1 0 330.178 1.980 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(OCCOC)nc2)nc1C ZINC000095453615 441929264 /nfs/dbraw/zinc/92/92/64/441929264.db2.gz BLULPAPDPYORPR-UHFFFAOYSA-N -1 0 340.405 1.432 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]c2ccc(N3CCCCC3)cn2)cn1 ZINC000096408039 442115867 /nfs/dbraw/zinc/11/58/67/442115867.db2.gz VKRGGFGJXQDJRC-UHFFFAOYSA-N -1 0 335.433 2.089 50 0 EDAARM O=C(CCn1c(=O)c2ccccc2[n-]c1=S)NC[C@@H]1CCC[C@H]1O ZINC000170643442 442240605 /nfs/dbraw/zinc/24/06/05/442240605.db2.gz QPAONIOELCXDFJ-SMDDNHRTSA-N -1 0 347.440 1.353 50 0 EDAARM C[C@@H](CN(C)S(=O)(=O)c1ccc(Cl)cc1F)c1nnn[n-]1 ZINC000134051263 442447803 /nfs/dbraw/zinc/44/78/03/442447803.db2.gz KRCHRXKFUACSKF-ZETCQYMHSA-N -1 0 333.776 1.416 50 0 EDAARM Cc1cc(=O)[nH]c([C@H](C)N(C)Cc2nc(=O)c3sccc3[n-]2)n1 ZINC000192787674 442686482 /nfs/dbraw/zinc/68/64/82/442686482.db2.gz IQZMPORUGFZJFD-VIFPVBQESA-N -1 0 331.401 1.982 50 0 EDAARM CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)C[C@H](C)C(=O)OC ZINC000268105118 442850955 /nfs/dbraw/zinc/85/09/55/442850955.db2.gz XUHXGIATFRNLCJ-QMMMGPOBSA-N -1 0 348.808 1.250 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)/C=C\c2ccc(Br)s2)CCO1 ZINC000218884519 443059470 /nfs/dbraw/zinc/05/94/70/443059470.db2.gz QKQOWLKBFRXGND-MDHMXLOGSA-N -1 0 346.202 1.836 50 0 EDAARM O=C(/C=C\c1cncc(F)c1)[N-]S(=O)(=O)C[C@H]1CCCCO1 ZINC000254953850 443078547 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O=C([O-])CN(C(=O)CCc1cc(F)ccc1F)C1CCOCC1 ZINC000238097041 443194346 /nfs/dbraw/zinc/19/43/46/443194346.db2.gz XQEFTBGBARAUAS-UHFFFAOYSA-N -1 0 327.327 1.990 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)C1 ZINC000238094068 443194585 /nfs/dbraw/zinc/19/45/85/443194585.db2.gz XEVBHBOVTMAKJA-WDEREUQCSA-N -1 0 336.775 1.626 50 0 EDAARM CCS(=O)(=O)c1ccc(F)c(C(=O)N2CCC[C@H](C(=O)[O-])C2)c1 ZINC000268943614 443155633 /nfs/dbraw/zinc/15/56/33/443155633.db2.gz MTNUJHDARKSDKD-JTQLQIEISA-N -1 0 343.376 1.556 50 0 EDAARM COc1ccc(/C=C/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)cc1OC ZINC000268946723 443156273 /nfs/dbraw/zinc/15/62/73/443156273.db2.gz HEJSVEQQCVAFIN-BPJJOFIESA-N -1 0 335.356 1.419 50 0 EDAARM COc1ccc(-c2n[nH]cc2C(=O)N2CCO[C@H](C(=O)[O-])C2)cc1 ZINC000263008951 443223292 /nfs/dbraw/zinc/22/32/92/443223292.db2.gz QVMSAJMQGAUYPB-ZDUSSCGKSA-N -1 0 331.328 1.011 50 0 EDAARM CCn1cnc2c(c1=O)CCN(C(=O)c1ccc(C(=O)[O-])cc1)C2 ZINC000263462260 443231413 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/nfs/dbraw/zinc/94/10/60/452941060.db2.gz BYYBGIIDLOQXSK-HNNXBMFYSA-N -1 0 336.388 1.684 50 0 EDAARM Cc1cc(S(=O)(=O)N2CC[C@H](C(=O)[O-])C2)ccc1Br ZINC000062132440 214701302 /nfs/dbraw/zinc/70/13/02/214701302.db2.gz QERDNSIYTOIKNS-VIFPVBQESA-N -1 0 348.218 1.853 50 0 EDAARM O=C([O-])C1(Oc2ccccc2)CCN(S(=O)(=O)C2CC2)CC1 ZINC000072476431 304034760 /nfs/dbraw/zinc/03/47/60/304034760.db2.gz YPPVTJPOBODNAM-UHFFFAOYSA-N -1 0 325.386 1.477 50 0 EDAARM O=C(CCc1nnc(-c2cccc(F)c2)[n-]c1=O)N1CCOCC1 ZINC000034768557 202277039 /nfs/dbraw/zinc/27/70/39/202277039.db2.gz LHEMHDKXWPJJFZ-UHFFFAOYSA-N -1 0 332.335 1.175 50 0 EDAARM Cc1c(NC(=O)[C@@H]2CC[C@H](C(=O)[O-])C2)c(=O)n(-c2ccccc2)n1C ZINC000071405221 202349037 /nfs/dbraw/zinc/34/90/37/202349037.db2.gz RIMHUWAUHYWZQD-OLZOCXBDSA-N -1 0 343.383 1.924 50 0 EDAARM CCc1ccc(S(=O)(=O)[N-]c2cnc(N3CCOCC3)nc2)cc1 ZINC000075162127 202377297 /nfs/dbraw/zinc/37/72/97/202377297.db2.gz VSJRNMPOTGTSCN-UHFFFAOYSA-N -1 0 348.428 1.676 50 0 EDAARM O=C([O-])Cn1nccc1[C@@H]1CCCN(C(=O)c2ccncc2F)C1 ZINC000426509526 304091588 /nfs/dbraw/zinc/09/15/88/304091588.db2.gz SCWCRAXWODMTHV-LLVKDONJSA-N -1 0 332.335 1.522 50 0 EDAARM O=C([O-])[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1ccccc1 ZINC000002129052 201359051 /nfs/dbraw/zinc/35/90/51/201359051.db2.gz VYYOIPZPLAKKCN-INIZCTEOSA-N -1 0 337.335 1.339 50 0 EDAARM C[C@H](c1ccc2c(c1)OCO2)N1C[C@@]23C=C[C@@H](O2)[C@H](C(=O)[O-])[C@H]3C1=O ZINC000100918368 201387140 /nfs/dbraw/zinc/38/71/40/201387140.db2.gz LCPQTKFZJSZOCI-METCIYGBSA-N -1 0 343.335 1.343 50 0 EDAARM O=C([O-])c1nc[nH]c1C(=O)N1CCCN(Cc2ccccc2F)CC1 ZINC000215355581 241119872 /nfs/dbraw/zinc/11/98/72/241119872.db2.gz NHPWJCHYRNUSGX-UHFFFAOYSA-N -1 0 346.362 1.595 50 0 EDAARM Cc1nn(CC(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c(C)c1C ZINC000216248965 241177217 /nfs/dbraw/zinc/17/72/17/241177217.db2.gz WTLWEWOYYGOKHU-UHFFFAOYSA-N -1 0 345.428 1.765 50 0 EDAARM CN(C)CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2CC(=O)[O-])cc1 ZINC000218006306 241290668 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Cc1noc(CCCNC(=O)c2nn(-c3ccccc3)cc2[O-])n1 ZINC000076083360 203336332 /nfs/dbraw/zinc/33/63/32/203336332.db2.gz RLIVVNFPTHYZML-UHFFFAOYSA-N -1 0 327.344 1.632 50 0 EDAARM O=C(CCc1nc(-c2ccccc2)no1)NC1(C(=O)[O-])CCOCC1 ZINC000095511532 203754012 /nfs/dbraw/zinc/75/40/12/203754012.db2.gz QBOZXAYVYFDGCN-UHFFFAOYSA-N -1 0 345.355 1.419 50 0 EDAARM CC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-n2cnnn2)c1 ZINC000047328477 204336734 /nfs/dbraw/zinc/33/67/34/204336734.db2.gz FCWHQHRUIYTWHL-UHFFFAOYSA-N -1 0 343.368 1.666 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1C[C@]12CCCc1ccccc12 ZINC000152515387 205753766 /nfs/dbraw/zinc/75/37/66/205753766.db2.gz JDUBMWLCWSQASU-PBHICJAKSA-N -1 0 343.408 1.576 50 0 EDAARM O=C([O-])[C@H]1CCCN1C(=O)[C@@H]1CCN(c2ccc(F)c(F)c2)C1=O ZINC000238073241 304185299 /nfs/dbraw/zinc/18/52/99/304185299.db2.gz XPKGMDPANSXZJG-ZWNOBZJWSA-N -1 0 338.310 1.393 50 0 EDAARM C[C@@H]1CC[C@H](C(=O)[N-]S(=O)(=O)c2ccc(C(F)(F)F)cn2)O1 ZINC000158734272 206206705 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O=C([O-])c1ccc(C(=O)N2CCNC(=O)[C@H]2c2ccccc2)cn1 ZINC000342411025 304234456 /nfs/dbraw/zinc/23/44/56/304234456.db2.gz FYOBVIHEDJSFNT-CQSZACIVSA-N -1 0 325.324 1.093 50 0 EDAARM CC(=O)Nc1ccc(F)c(C(=O)N[C@@H](C(=O)[O-])[C@@H]2CCCOC2)c1 ZINC000262785020 139303378 /nfs/dbraw/zinc/30/33/78/139303378.db2.gz MMQZILWQFIZCFA-QMTHXVAHSA-N -1 0 338.335 1.394 50 0 EDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)CCOC1CCOCC1 ZINC000262801898 139304648 /nfs/dbraw/zinc/30/46/48/139304648.db2.gz RRBIINGZGUDPJS-KRWDZBQOSA-N -1 0 333.384 1.783 50 0 EDAARM Cc1c(C(=O)NCc2ccc(C(=O)[O-])o2)cnn1C1CCOCC1 ZINC000262817932 139305816 /nfs/dbraw/zinc/30/58/16/139305816.db2.gz VKFLFCUGAXADIF-UHFFFAOYSA-N -1 0 333.344 1.764 50 0 EDAARM COc1cc(NC(=O)COc2c(C)nn(C)c2C)ccc1C(=O)[O-] ZINC000262933265 139313601 /nfs/dbraw/zinc/31/36/01/139313601.db2.gz LLGUNKFEYHKFIF-UHFFFAOYSA-N -1 0 333.344 1.761 50 0 EDAARM COC[C@]1(C(=O)[O-])CCCN(C(=O)CN2CCCCCCC2=O)C1 ZINC000262958358 139315334 /nfs/dbraw/zinc/31/53/34/139315334.db2.gz 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O=C([O-])c1cccc(CCNC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 ZINC000299745053 304259464 /nfs/dbraw/zinc/25/94/64/304259464.db2.gz VUSSYSYMURKVPY-HNNXBMFYSA-N -1 0 344.411 1.835 50 0 EDAARM CCOc1cc(C(=O)N2CCC[C@@H](OC)C2)ccc1OCC(=O)[O-] ZINC000268889731 257997611 /nfs/dbraw/zinc/99/76/11/257997611.db2.gz ICDUXLVHFOEIOT-CYBMUJFWSA-N -1 0 337.372 1.800 50 0 EDAARM O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)CCCn2cccn2)C1 ZINC000299777189 258087300 /nfs/dbraw/zinc/08/73/00/258087300.db2.gz BBMDWBGRUOMPEU-GOSISDBHSA-N -1 0 327.384 1.918 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)C[C@H]1c1cn[nH]n1 ZINC000299759362 258076823 /nfs/dbraw/zinc/07/68/23/258076823.db2.gz GPEINZKJKFJOEY-WCQYABFASA-N -1 0 348.790 1.718 50 0 EDAARM O=C1[N-]C(=O)/C(=C\c2ccc(O)c(I)c2)N1 ZINC000018272525 280278203 /nfs/dbraw/zinc/27/82/03/280278203.db2.gz RZFDYLLHWYUKRN-QPJJXVBHSA-N -1 0 330.081 1.177 50 0 EDAARM Cc1cc(C)n2nc3c(c2n1)[C@H](c1c[nH]nc1C(=O)[O-])CC(=O)N3 ZINC000067712723 301260227 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CCCc1cc([N-]S(=O)(=O)c2ccc(C(=O)N(C)C)cc2)n[nH]1 ZINC000225666136 443117879 /nfs/dbraw/zinc/11/78/79/443117879.db2.gz GBFRFKGBKLZSKG-UHFFFAOYSA-N -1 0 336.417 1.865 50 0 EDAARM C[C@H](Cc1c(F)cccc1F)NC(=O)CN1CCC[C@@H]1C(=O)[O-] ZINC000237479111 443173294 /nfs/dbraw/zinc/17/32/94/443173294.db2.gz BHFAFPQPAWGDCX-QMTHXVAHSA-N -1 0 326.343 1.561 50 0 EDAARM Cc1nc(-c2c[nH]c(C(=O)N3CCO[C@H](CC(=O)[O-])C3)c2)cs1 ZINC000237785312 443182536 /nfs/dbraw/zinc/18/25/36/443182536.db2.gz AAXRKXXGGLXLJH-LLVKDONJSA-N -1 0 335.385 1.762 50 0 EDAARM Cc1nn(-c2ccccc2)cc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237883976 443185661 /nfs/dbraw/zinc/18/56/61/443185661.db2.gz CTZZDDXHYOEKGC-CQSZACIVSA-N -1 0 329.356 1.496 50 0 EDAARM O=C([O-])c1ccc(C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)s1 ZINC000238054180 443193659 /nfs/dbraw/zinc/19/36/59/443193659.db2.gz XLIUITPSPWZOCE-LURJTMIESA-N -1 0 336.291 1.339 50 0 EDAARM O=C([O-])C[C@H]1CN(C(=O)Cc2cc(-c3ccccc3)on2)CCO1 ZINC000238052679 443193666 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347.415 1.476 50 0 EDAARM COc1ccc(Cl)cc1[C@@H](C(=O)[O-])N1CCN(C(C)=O)CC1 ZINC000095371635 295146938 /nfs/dbraw/zinc/14/69/38/295146938.db2.gz ZYFUZIICDONNPQ-AWEZNQCLSA-N -1 0 326.780 1.638 50 0 EDAARM CSCC[C@H](NS(=O)(=O)c1ccc(F)c(Cl)c1)C(=O)[O-] ZINC000001795935 440853293 /nfs/dbraw/zinc/85/32/93/440853293.db2.gz XWJNKCOADQIXDX-JTQLQIEISA-N -1 0 341.813 1.964 50 0 EDAARM CSCC[C@H](NC(=O)c1cncc(Br)c1)C(=O)[O-] ZINC000002350393 440860645 /nfs/dbraw/zinc/86/06/45/440860645.db2.gz SVYTWVAWBPJOMD-VIFPVBQESA-N -1 0 333.207 1.780 50 0 EDAARM O=C([O-])CCn1c(/C=C/c2csnn2)nc2ccccc2c1=O ZINC000044026641 440818173 /nfs/dbraw/zinc/81/81/73/440818173.db2.gz CSHZXHKLWVSNSW-AATRIKPKSA-N -1 0 328.353 1.893 50 0 EDAARM COc1cccc(OC)c1C(=O)N[C@@H]1N[C@H](C(=O)[O-])C(C)(C)S1 ZINC000004442458 440919478 /nfs/dbraw/zinc/91/94/78/440919478.db2.gz SXSPMOIXMWGNIR-RISCZKNCSA-N -1 0 340.401 1.285 50 0 EDAARM CCC[C@@H](NC(=O)Cc1cc(=O)oc2c(C)c(O)ccc12)C(=O)[O-] ZINC000004063850 440910898 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CC(=O)c1c([O-])[nH]c(=O)n(-c2ccc(Br)cc2)c1=O ZINC000100316056 441151865 /nfs/dbraw/zinc/15/18/65/441151865.db2.gz UDPREYNIBBBXIE-SECBINFHSA-N -1 0 325.118 1.237 50 0 EDAARM COc1ccc(NCc2nn3c([n-]2)nc2c(c3=O)CCC2)c(OC)c1 ZINC000101803496 441161976 /nfs/dbraw/zinc/16/19/76/441161976.db2.gz RMSNWZMUFOKBJR-UHFFFAOYSA-N -1 0 341.371 1.536 50 0 EDAARM COc1cc([N-]S(=O)(=O)c2ccc(N)cc2)nc(SC)n1 ZINC000019877626 441261149 /nfs/dbraw/zinc/26/11/49/441261149.db2.gz KRDRTXKVVLWDLD-UHFFFAOYSA-N -1 0 326.403 1.590 50 0 EDAARM Cc1cc(=O)n2nc(CN(C(=O)C(C)C)c3ccccc3)[n-]c2n1 ZINC000021796026 441273746 /nfs/dbraw/zinc/27/37/46/441273746.db2.gz NWHXNZOBICIEOX-UHFFFAOYSA-N -1 0 325.372 1.915 50 0 EDAARM Cc1ccc([N-]S(=O)(=O)c2cc3c(=O)n(C)nc(C)n3c2)c(C)c1 ZINC000065246983 441410461 /nfs/dbraw/zinc/41/04/61/441410461.db2.gz QUJIKFAHEZUXIG-UHFFFAOYSA-N -1 0 346.412 1.759 50 0 EDAARM CCCC[C@H]1C(=O)N(C)CCN1C(=O)c1ccccc1NCC(=O)[O-] ZINC000065501414 441446164 /nfs/dbraw/zinc/44/61/64/441446164.db2.gz 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/nfs/dbraw/zinc/99/18/90/202991890.db2.gz PDKDKDMYNBGGHD-UHFFFAOYSA-N -1 0 349.412 1.347 50 0 EDAARM Cc1nnc(-c2ccccc2NC(=O)c2nccnc2C(=O)[O-])o1 ZINC000071287440 203090994 /nfs/dbraw/zinc/09/09/94/203090994.db2.gz MNAJICGEXCTAFK-UHFFFAOYSA-N -1 0 325.284 1.786 50 0 EDAARM CC(C)[C@@H](NC(=O)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)[O-] ZINC000071328937 203092098 /nfs/dbraw/zinc/09/20/98/203092098.db2.gz QUOAIGRDDHXUQN-MRXNPFEDSA-N -1 0 347.346 1.275 50 0 EDAARM Cc1ccnc(N2CCC(Oc3cccnc3C)(C(=O)[O-])CC2)n1 ZINC000072477095 203232010 /nfs/dbraw/zinc/23/20/10/203232010.db2.gz RJUXOJAOBNTQTF-UHFFFAOYSA-N -1 0 328.372 1.991 50 0 EDAARM Cc1nc(C(C)C)ncc1C(=O)N1CCc2[nH]cnc2[C@@H]1C(=O)[O-] ZINC000072407704 203215702 /nfs/dbraw/zinc/21/57/02/203215702.db2.gz XQINQZQXVUYDBV-CYBMUJFWSA-N -1 0 329.360 1.456 50 0 EDAARM CC(C)c1ccn(C2(C(=O)[O-])CCN(C(=O)[C@@]3(C)CCCO3)CC2)n1 ZINC000072410784 203216960 /nfs/dbraw/zinc/21/69/60/203216960.db2.gz FCQOXYFXVWPVJZ-QGZVFWFLSA-N -1 0 349.431 1.978 50 0 EDAARM O=C([O-])C1(n2cccn2)CCN(C(=O)c2cn3ccccc3n2)CC1 ZINC000072422225 203220650 /nfs/dbraw/zinc/22/06/50/203220650.db2.gz NXQXIJZSEFJFET-UHFFFAOYSA-N -1 0 339.355 1.247 50 0 EDAARM O=C([O-])C1(NC(=O)c2cccc(Cn3cccn3)c2)CCOCC1 ZINC000095384445 203725378 /nfs/dbraw/zinc/72/53/78/203725378.db2.gz LEWSSCZZTKULCO-UHFFFAOYSA-N -1 0 329.356 1.295 50 0 EDAARM CCOc1cc([C@@H]2CC(C(=O)[O-])=Nc3nnnn32)ccc1OC(C)C ZINC000101675731 204018598 /nfs/dbraw/zinc/01/85/98/204018598.db2.gz IVVHFHOBBCPCAT-LBPRGKRZSA-N -1 0 345.359 1.842 50 0 EDAARM Cc1sc2[nH]c(CCC(=O)N(CC(=O)[O-])C3CC3)nc(=O)c2c1C ZINC000237727228 139058874 /nfs/dbraw/zinc/05/88/74/139058874.db2.gz ZWIUSIXHGRQEBQ-UHFFFAOYSA-N -1 0 349.412 1.610 50 0 EDAARM Cn1cc(S(=O)(=O)N2CC3(CC3)c3ccccc32)cc1C(=O)[O-] ZINC000237798745 139060636 /nfs/dbraw/zinc/06/06/36/139060636.db2.gz ISNQQIVFYFMVDH-UHFFFAOYSA-N -1 0 332.381 1.964 50 0 EDAARM O=C([O-])COc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCCO2)c1 ZINC000567592355 306455999 /nfs/dbraw/zinc/45/59/99/306455999.db2.gz WGDGXXFCRZVMAN-HUUCEWRRSA-N -1 0 335.356 1.170 50 0 EDAARM Cn1c(=O)c2ccc(C(=O)NCCCC(C)(C)CO)cc2[n-]c1=S ZINC000160373630 206293230 /nfs/dbraw/zinc/29/32/30/206293230.db2.gz FEUBLOYPYQRRGK-UHFFFAOYSA-N -1 0 349.456 1.751 50 0 EDAARM O=C([O-])[C@H]1C[C@H]1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 ZINC000191640751 304204522 /nfs/dbraw/zinc/20/45/22/304204522.db2.gz TWUQNBRFJNKPDJ-MNOVXSKESA-N -1 0 325.311 1.807 50 0 EDAARM O=C([O-])[C@H]1Cc2[nH]cnc2CN1C(=O)c1cnc2c(c1)CCCC2 ZINC000096136096 304205402 /nfs/dbraw/zinc/20/54/02/304205402.db2.gz JMRXVQBPWXKXES-OAHLLOKOSA-N -1 0 326.356 1.335 50 0 EDAARM Cc1csc(=O)n1CCC(=O)N1[C@@H]2CCCC[C@H]2C[C@H]1C(=O)[O-] ZINC000248533422 139166791 /nfs/dbraw/zinc/16/67/91/139166791.db2.gz IOKMNASCXUYDGI-XQQFMLRXSA-N -1 0 338.429 1.853 50 0 EDAARM O=C([O-])[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000249307801 139191045 /nfs/dbraw/zinc/19/10/45/139191045.db2.gz NJGPMHPBJHYTQG-RRFJBIMHSA-N -1 0 330.384 1.518 50 0 EDAARM CN(CC(=O)N1CCC(C(=O)[O-])CC1)C(=O)[C@@H]1Cc2ccccc21 ZINC000262050681 139246772 /nfs/dbraw/zinc/24/67/72/139246772.db2.gz FMKKXLDRCZRKBE-OAHLLOKOSA-N -1 0 330.384 1.108 50 0 EDAARM COCC[C@H](NC(=O)COc1cccc(C(F)(F)F)c1)C(=O)[O-] ZINC000262314133 139269226 /nfs/dbraw/zinc/26/92/26/139269226.db2.gz QHCPFLVJDFRFKX-NSHDSACASA-N -1 0 335.278 1.690 50 0 EDAARM O=C([O-])C1(C(=O)N2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000262343097 139271680 /nfs/dbraw/zinc/27/16/80/139271680.db2.gz ZAXIASNQNNAALL-LBPRGKRZSA-N -1 0 335.335 1.413 50 0 EDAARM CONC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2OC)c1 ZINC000012525948 207163888 /nfs/dbraw/zinc/16/38/88/207163888.db2.gz JPAQVUIHRUWNEB-UHFFFAOYSA-N -1 0 336.369 1.787 50 0 EDAARM CCC[C@H](NS(=O)(=O)c1ccc(NC(C)=O)c(Cl)c1)C(=O)[O-] ZINC000262697270 139297166 /nfs/dbraw/zinc/29/71/66/139297166.db2.gz XXDQEOLJBGTRCM-LBPRGKRZSA-N -1 0 348.808 1.830 50 0 EDAARM CN(C)C(=O)c1cccc(CNC(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)c1 ZINC000262720122 139298903 /nfs/dbraw/zinc/29/89/03/139298903.db2.gz PIDIDAHNGBDWMV-HDJSIYSDSA-N -1 0 332.400 1.896 50 0 EDAARM C[C@H](C(=O)[O-])N(C)C(=O)[C@H]1CCCN(c2ncnc3sccc32)C1 ZINC000262923211 139312962 /nfs/dbraw/zinc/31/29/62/139312962.db2.gz VSPSWLAJDYVFBD-MNOVXSKESA-N -1 0 348.428 1.839 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)Nc2nc3ccccn3n2)C[C@H]1C(F)(F)F ZINC000263040013 139319231 /nfs/dbraw/zinc/31/92/31/139319231.db2.gz LQJKRMMIMVVKOC-HTQZYQBOSA-N -1 0 343.265 1.456 50 0 EDAARM C[C@]1(C(=O)Nc2ccc(CC(=O)NCC(=O)[O-])cc2)CC1(F)F ZINC000263113888 139323053 /nfs/dbraw/zinc/32/30/53/139323053.db2.gz DRINBDGVCIEFQU-CQSZACIVSA-N -1 0 326.299 1.414 50 0 EDAARM O=C([O-])[C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2Cc3ccccc3O2)CC1 ZINC000263244086 139330619 /nfs/dbraw/zinc/33/06/19/139330619.db2.gz UKVLAOXABYRRFZ-PVAVHDDUSA-N -1 0 345.395 1.718 50 0 EDAARM CS(=O)(=O)C1(C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)CCCC1 ZINC000263250653 139331002 /nfs/dbraw/zinc/33/10/02/139331002.db2.gz SSZJYXFVMMBCIK-UHFFFAOYSA-N -1 0 343.376 1.749 50 0 EDAARM O=C([O-])c1ccc(CNC(=O)c2ccnc(O[C@H]3CCOC3)c2)cc1 ZINC000263293880 139333727 /nfs/dbraw/zinc/33/37/27/139333727.db2.gz XIGXBLSMYUXXEP-HNNXBMFYSA-N -1 0 342.351 1.878 50 0 EDAARM C[C@]1(c2cccc(NC(=O)CCCCC(=O)[O-])c2)NC(=O)NC1=O ZINC000263319229 139335614 /nfs/dbraw/zinc/33/56/14/139335614.db2.gz QWOIKVSZEVBUGR-MRXNPFEDSA-N -1 0 333.344 1.325 50 0 EDAARM C[C@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C1 ZINC000263330958 139336221 /nfs/dbraw/zinc/33/62/21/139336221.db2.gz CIUOZZLBRIJFSM-LNFKQOIKSA-N -1 0 338.326 1.564 50 0 EDAARM Cc1nccc(N2CCN(C(=O)c3cccc(C(=O)[O-])c3)CC2)n1 ZINC000263385496 139339303 /nfs/dbraw/zinc/33/93/03/139339303.db2.gz CNTDCCJATSZMEK-UHFFFAOYSA-N -1 0 326.356 1.446 50 0 EDAARM COc1cccc([C@@H]2[C@@H](C(=O)NCCC(=O)[O-])CC(=O)N2C2CC2)c1 ZINC000263567910 139348363 /nfs/dbraw/zinc/34/83/63/139348363.db2.gz GSOPFOFDNMOFST-WMLDXEAASA-N -1 0 346.383 1.338 50 0 EDAARM O=C(/C=C\C1CCOCC1)[N-]S(=O)(=O)c1ccc(Cl)cn1 ZINC000491871798 255153715 /nfs/dbraw/zinc/15/37/15/255153715.db2.gz VFQNZTOZSLJTEO-IWQZZHSRSA-N -1 0 330.793 1.523 50 0 EDAARM CC(C)n1cc(Br)cc1C(=O)N1CCOC[C@@H]1C(=O)[O-] ZINC000115962196 220922491 /nfs/dbraw/zinc/92/24/91/220922491.db2.gz MOFHIMAMXKVUTK-LLVKDONJSA-N -1 0 345.193 1.757 50 0 EDAARM Cc1ccc(N2CC[C@@H](CNC(=O)c3[nH]cnc3C(=O)[O-])C2)cc1 ZINC000299777077 258087218 /nfs/dbraw/zinc/08/72/18/258087218.db2.gz NWCQKFKLEKGICS-LBPRGKRZSA-N -1 0 328.372 1.673 50 0 EDAARM Cn1cc([C@@H]2CN(C(=O)NCc3ccccc3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299777038 258087335 /nfs/dbraw/zinc/08/73/35/258087335.db2.gz NJFRLIMSTDEKKV-UONOGXRCSA-N -1 0 343.387 1.215 50 0 EDAARM COC(=O)c1cc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])oc1C ZINC000262655102 292002695 /nfs/dbraw/zinc/00/26/95/292002695.db2.gz KMTGDEIDDWFYQF-SNVBAGLBSA-N -1 0 331.346 1.002 50 0 EDAARM CCS(=O)(=O)c1ccc([O-])c(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1 ZINC000004174791 286693592 /nfs/dbraw/zinc/69/35/92/286693592.db2.gz FZJSPCGJXFQMBH-LMHVJCSRSA-N -1 0 347.392 1.497 50 0 EDAARM COCCN(CC(=O)[O-])C(=O)c1ccc(N2CCCCCC2)nc1 ZINC000299752553 292453383 /nfs/dbraw/zinc/45/33/83/292453383.db2.gz UOFYWXJMUMXVQP-UHFFFAOYSA-N -1 0 335.404 1.635 50 0 EDAARM O=C([O-])Cn1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)n1 ZINC000122960967 222190150 /nfs/dbraw/zinc/19/01/50/222190150.db2.gz ZVEHOLVRLICZLB-UHFFFAOYSA-N -1 0 347.346 1.794 50 0 EDAARM O=c1nc(-c2cc(NS(=O)(=O)C3CC3)cc(C(F)(F)F)c2)[nH][n-]1 ZINC000171558340 227139621 /nfs/dbraw/zinc/13/96/21/227139621.db2.gz UXCRAXLFTXAANU-UHFFFAOYSA-N -1 0 348.306 1.688 50 0 EDAARM Cc1cc(C)c(N2C[C@@H](C(=O)N3CC[C@@H](C(=O)[O-])C3)CC2=O)c(C)c1 ZINC000178259500 301185405 /nfs/dbraw/zinc/18/54/05/301185405.db2.gz XVPSKJFPHFHGDZ-CABCVRRESA-N -1 0 344.411 1.898 50 0 EDAARM Cc1cc(C)n2nc(C(=O)N3[C@H](C(=O)[O-])C[C@H]4CCCC[C@@H]43)nc2n1 ZINC000237797373 301259051 /nfs/dbraw/zinc/25/90/51/301259051.db2.gz IHLZGLVNRVVBKT-AGIUHOORSA-N -1 0 343.387 1.599 50 0 EDAARM Cc1cc2c(c(=O)[nH]1)[C@@H](c1ccccc1OCC(=O)[O-])CC(=O)O2 ZINC000095477825 301436102 /nfs/dbraw/zinc/43/61/02/301436102.db2.gz GQMHTFWEEPEUOM-LLVKDONJSA-N -1 0 329.308 1.588 50 0 EDAARM Cn1ncc2c1C[C@H](C(=O)N1[C@@H]3CCCC[C@@H]3C[C@H]1C(=O)[O-])CC2 ZINC000263400890 303058665 /nfs/dbraw/zinc/05/86/65/303058665.db2.gz GMZAZFXWIOWAON-NCZKRNLISA-N -1 0 331.416 1.769 50 0 EDAARM COc1ccc(OC)c(NC(=O)[C@H](CC(=O)[O-])NCc2ccco2)c1 ZINC000000236794 440809610 /nfs/dbraw/zinc/80/96/10/440809610.db2.gz PEFJSHQZELBDGG-AWEZNQCLSA-N -1 0 348.355 1.868 50 0 EDAARM CCc1cc(=O)oc2c(C)c(OCC(=O)NCCC(=O)[O-])ccc12 ZINC000002091500 440855493 /nfs/dbraw/zinc/85/54/93/440855493.db2.gz SGVJJHYHGAIABX-UHFFFAOYSA-N -1 0 333.340 1.634 50 0 EDAARM CC(C)(C)OC(=O)N[C@@H](CNC(=O)OCc1ccccc1)C(=O)[O-] ZINC000002560695 440864353 /nfs/dbraw/zinc/86/43/53/440864353.db2.gz QKMSMVGTLTVHLK-LBPRGKRZSA-N -1 0 338.360 1.891 50 0 EDAARM O=C(CC[C@@H]1N=C2c3ccccc3[N-]C(=S)N2C1=O)NC1CC1 ZINC000000424881 440821319 /nfs/dbraw/zinc/82/13/19/440821319.db2.gz ZRNYPIMSVRTUFP-LBPRGKRZSA-N -1 0 328.397 1.413 50 0 EDAARM O=C([O-])[C@@H]1[C@@H](C(=O)Nc2cnn(Cc3ccccc3)c2)[C@H]2CC[C@@H]1O2 ZINC000004179957 440912778 /nfs/dbraw/zinc/91/27/78/440912778.db2.gz SLVLJBWSJIGQQU-UGUYLWEFSA-N -1 0 341.367 1.748 50 0 EDAARM Cn1cc(S(=O)(=O)[N-]c2cccc3ccccc32)c(=O)n(C)c1=O ZINC000004270163 440914023 /nfs/dbraw/zinc/91/40/23/440914023.db2.gz FPUJOMCRUMRQSR-UHFFFAOYSA-N -1 0 345.380 1.038 50 0 EDAARM CCn1cc(Cn2cc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)[O-])cn2)cn1 ZINC000002809392 440879761 /nfs/dbraw/zinc/87/97/61/440879761.db2.gz TVLZJBQQYIDTMV-HUUCEWRRSA-N -1 0 345.403 1.977 50 0 EDAARM O=C([O-])CCNC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccco1 ZINC000002957733 440883902 /nfs/dbraw/zinc/88/39/02/440883902.db2.gz VASQEYJRINXFKD-JLHYYAGUSA-N -1 0 346.314 1.781 50 0 EDAARM CC[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-] ZINC000004062082 440911228 /nfs/dbraw/zinc/91/12/28/440911228.db2.gz DGTCRFIPTQTOCR-GFCCVEGCSA-N -1 0 333.340 1.637 50 0 EDAARM COC(=O)[C@H](NC(=O)CCC(=O)[O-])c1ccc(OC)c(Cl)c1 ZINC000004662520 440924994 /nfs/dbraw/zinc/92/49/94/440924994.db2.gz FVHKMAXEWSZTKV-CYBMUJFWSA-N -1 0 329.736 1.544 50 0 EDAARM CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc2c(c1)OCO2 ZINC000004757022 440926659 /nfs/dbraw/zinc/92/66/59/440926659.db2.gz UZAJWYQPSSATBV-UHFFFAOYSA-N -1 0 348.380 1.717 50 0 EDAARM O=C([O-])c1cccc(S(=O)(=O)N2CCN(c3ccccn3)CC2)c1 ZINC000006729337 441010555 /nfs/dbraw/zinc/01/05/55/441010555.db2.gz OBNOTRFKLXXILA-UHFFFAOYSA-N -1 0 347.396 1.291 50 0 EDAARM COc1cc2c(cc1OC)CN(C(=O)N[C@H](C(=O)[O-])C(C)C)CC2 ZINC000008879722 441101454 /nfs/dbraw/zinc/10/14/54/441101454.db2.gz OXVAOTYHLYYFGA-HNNXBMFYSA-N -1 0 336.388 1.881 50 0 EDAARM Cn1c(=O)c2c(C(=O)[O-])cc(-c3ccc(F)cc3)nc2n(C)c1=O ZINC000011567432 441121982 /nfs/dbraw/zinc/12/19/82/441121982.db2.gz CNXSIQXVCSFOAS-UHFFFAOYSA-N -1 0 329.287 1.137 50 0 EDAARM O=C([O-])CCC(=O)N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 ZINC000013736213 441166465 /nfs/dbraw/zinc/16/64/65/441166465.db2.gz JSKZKDOWNQOBRV-UHFFFAOYSA-N -1 0 329.356 1.317 50 0 EDAARM Cc1ccc(N(Cc2nn3c([n-]2)nc(C)cc3=O)S(C)(=O)=O)cc1 ZINC000101801958 441161757 /nfs/dbraw/zinc/16/17/57/441161757.db2.gz MVVGNLXVUBNTCT-UHFFFAOYSA-N -1 0 347.400 1.001 50 0 EDAARM CCN1CCN(c2cc3c(cc2F)c(=O)c(C(=O)[O-])cn3C)CC1 ZINC000022510860 441281270 /nfs/dbraw/zinc/28/12/70/441281270.db2.gz FMPIKEODVRESFQ-UHFFFAOYSA-N -1 0 333.363 1.518 50 0 EDAARM O=C([O-])C1CCC(CNC(=O)Cn2nc3c(cc2=O)CCCC3)CC1 ZINC000049544901 441358281 /nfs/dbraw/zinc/35/82/81/441358281.db2.gz ODNIWSGGMYTLTF-UHFFFAOYSA-N -1 0 347.415 1.129 50 0 EDAARM CN1CCn2cc(S(=O)(=O)[N-]c3cc(F)cc(F)c3)cc2C1=O ZINC000065254672 441410269 /nfs/dbraw/zinc/41/02/69/441410269.db2.gz VXOMZSSFPOLYMN-UHFFFAOYSA-N -1 0 341.339 1.653 50 0 EDAARM Cn1nc(-c2csc(S(=O)(=O)[N-]c3cccnc3)c2)ccc1=O ZINC000065119421 441403718 /nfs/dbraw/zinc/40/37/18/441403718.db2.gz GGFBHUGRNVFDGO-UHFFFAOYSA-N -1 0 348.409 1.705 50 0 EDAARM CNC(=O)c1cc(OC)ccc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC000065607467 441467718 /nfs/dbraw/zinc/46/77/18/441467718.db2.gz PKVIMSKTNWULKJ-UHFFFAOYSA-N -1 0 338.360 1.995 50 0 EDAARM CC(C)n1nccc1[N-]S(=O)(=O)c1ccccc1S(C)(=O)=O ZINC000066248441 441516191 /nfs/dbraw/zinc/51/61/91/441516191.db2.gz NFPJAZVQKJKQSY-UHFFFAOYSA-N -1 0 343.430 1.668 50 0 EDAARM CN(CC(F)(F)F)C(=O)CNC(=O)c1cc(F)cc(Cl)c1[O-] ZINC000089340128 441539275 /nfs/dbraw/zinc/53/92/75/441539275.db2.gz GAJOIIRPGSVEES-UHFFFAOYSA-N -1 0 342.676 1.935 50 0 EDAARM CN(C)c1ncc([N-]S(=O)(=O)c2ccc3c(c2)OCCO3)cn1 ZINC000075162143 441505795 /nfs/dbraw/zinc/50/57/95/441505795.db2.gz FHFXJXMLESGLIX-UHFFFAOYSA-N -1 0 336.373 1.115 50 0 EDAARM COCC[C@]1(C(=O)[O-])CCCN(c2cc(N3CCCC3)nc(N)n2)C1 ZINC000091817845 441746321 /nfs/dbraw/zinc/74/63/21/441746321.db2.gz DTQCDRXNZSTFNB-QGZVFWFLSA-N -1 0 349.435 1.367 50 0 EDAARM NC(=O)c1cccnc1N1CCC(Oc2ccccc2)(C(=O)[O-])CC1 ZINC000091625962 441720542 /nfs/dbraw/zinc/72/05/42/441720542.db2.gz NGJRFOKUNDJKPG-UHFFFAOYSA-N -1 0 341.367 1.683 50 0 EDAARM Cc1ccc(C(=O)NC2(C(=O)[O-])CCCC2)cc1S(C)(=O)=O ZINC000095350841 441911401 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O=C([O-])c1ccc([C@H]2CCCN(S(=O)(=O)N3CCCC3)C2)cc1 ZINC000095368738 218301539 /nfs/dbraw/zinc/30/15/39/218301539.db2.gz SGYXPBOEPJLYML-HNNXBMFYSA-N -1 0 338.429 1.905 50 0 EDAARM CSCc1ccc(N2CCC3(CC2)NC(=O)C[C@@H]3C(=O)[O-])nc1 ZINC000095368835 218302049 /nfs/dbraw/zinc/30/20/49/218302049.db2.gz MAFZFXWALKLLAU-GFCCVEGCSA-N -1 0 335.429 1.504 50 0 EDAARM COCc1cc(CN(C)[C@H](C(=O)[O-])c2ccc3c(c2)OCCO3)[nH]n1 ZINC000095373803 218306290 /nfs/dbraw/zinc/30/62/90/218306290.db2.gz OOAAJEDENUBCRJ-INIZCTEOSA-N -1 0 347.371 1.585 50 0 EDAARM CCN(CC)c1ccc(C(=O)N(CC(=O)[O-])C[C@H]2CCCO2)cn1 ZINC000095424813 218367046 /nfs/dbraw/zinc/36/70/46/218367046.db2.gz ZTZJWYFVKMOPOG-CQSZACIVSA-N -1 0 335.404 1.634 50 0 EDAARM O=C([O-])[C@H]1CCC[C@@H](NC(=O)C2CCN(c3cnccn3)CC2)C1 ZINC000095991875 218498630 /nfs/dbraw/zinc/49/86/30/218498630.db2.gz IBEDIVGTJPEQOO-UONOGXRCSA-N -1 0 332.404 1.453 50 0 EDAARM O=C([O-])c1cnc(N2CCOCC2)nc1COc1ccc(CO)cc1 ZINC000096182425 218644308 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EDAARM COc1ccc([C@@H](NC(=O)[C@@H]2COCCO2)C(=O)[O-])cc1Cl ZINC000263139330 139324473 /nfs/dbraw/zinc/32/44/73/139324473.db2.gz UAJYWYUIEOYRSB-NWDGAFQWSA-N -1 0 329.736 1.006 50 0 EDAARM O=C([O-])c1cn(CC(=O)N[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)nn1 ZINC000263349267 139337435 /nfs/dbraw/zinc/33/74/35/139337435.db2.gz OYPAEWCEOPCPKA-HIFRSBDPSA-N -1 0 348.334 1.152 50 0 EDAARM O=C([O-])c1cccc(C(=O)N[C@@H]2CCN(C(=O)C3CCCCC3)C2)n1 ZINC000262855395 304257539 /nfs/dbraw/zinc/25/75/39/304257539.db2.gz UPMYQZHFJGJMIL-CYBMUJFWSA-N -1 0 345.399 1.691 50 0 EDAARM O=C([O-])[C@]1(NC(=O)c2cc(Cl)c3c(c2)OCCO3)CCSC1 ZINC000299742191 257932790 /nfs/dbraw/zinc/93/27/90/257932790.db2.gz IOUZZIQDJHQIJY-AWEZNQCLSA-N -1 0 343.788 1.801 50 0 EDAARM COc1cc(/C=C/C(=O)N(CC(=O)[O-])C2CC2)cc2c1OCCO2 ZINC000328593051 258043908 /nfs/dbraw/zinc/04/39/08/258043908.db2.gz JQDVSIFIOWEQGP-GORDUTHDSA-N -1 0 333.340 1.555 50 0 EDAARM CCOc1cc(/C=C/C(=O)N2CCO[C@@H](CC(=O)[O-])C2)ccc1OC ZINC000328588024 258045975 /nfs/dbraw/zinc/04/59/75/258045975.db2.gz MHAQBKPQMBPWOC-DYLGSBMWSA-N -1 0 349.383 1.809 50 0 EDAARM O=C([O-])COc1cccc(CNC(=O)[C@@H]2Cc3cc(F)ccc3O2)c1 ZINC000299753155 258006721 /nfs/dbraw/zinc/00/67/21/258006721.db2.gz XCJIEZFDVDXHPS-INIZCTEOSA-N -1 0 345.326 1.909 50 0 EDAARM C[C@@H](C(=O)[O-])N(C)C(=O)c1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000299749334 258007924 /nfs/dbraw/zinc/00/79/24/258007924.db2.gz JYZPWPLKUDOMJB-MJBXVCDLSA-N -1 0 334.416 1.841 50 0 EDAARM Cc1ccc(N2CC[C@H](CNC(=O)c3[nH]cnc3C(=O)[O-])C2)cc1 ZINC000299777075 258087314 /nfs/dbraw/zinc/08/73/14/258087314.db2.gz NWCQKFKLEKGICS-GFCCVEGCSA-N -1 0 328.372 1.673 50 0 EDAARM Cn1cc([C@@H]2CN(C(=O)C(C)(C)n3cccc3)C[C@@H]2CC(=O)[O-])nn1 ZINC000299787870 258094393 /nfs/dbraw/zinc/09/43/93/258094393.db2.gz YJOZQBYCGJXHJE-QWHCGFSZSA-N -1 0 345.403 1.069 50 0 EDAARM CCOC(=O)c1[n-][nH]c2c(O)n(-c3ccc(C)c(Cl)c3)c(=O)c1-2 ZINC000004553197 258051030 /nfs/dbraw/zinc/05/10/30/258051030.db2.gz IZVURBLVFVBIRA-GHMZBOCLSA-N -1 0 335.747 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/nfs/dbraw/zinc/86/30/04/440863004.db2.gz VAMDLDWUZLFERJ-UHFFFAOYSA-N -1 0 328.390 1.568 50 0 EDAARM C=CC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cc3ccccc3)[C@@H]2SC1 ZINC000002858578 440881279 /nfs/dbraw/zinc/88/12/79/440881279.db2.gz AGAOMWQWVIJILM-CJNGLKHVSA-N -1 0 344.392 1.154 50 0 EDAARM CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)[O-])c1 ZINC000003457128 440899603 /nfs/dbraw/zinc/89/96/03/440899603.db2.gz VUCMZJWEELKWJY-UHFFFAOYSA-N -1 0 342.417 1.252 50 0 EDAARM COc1ccc(-c2nc(NC(=O)[C@@H]3[C@H](C(=O)[O-])C3(C)C)n[nH]2)cc1 ZINC000071279760 441143270 /nfs/dbraw/zinc/14/32/70/441143270.db2.gz DKSXKMUTHQAOCL-WDEREUQCSA-N -1 0 330.344 1.776 50 0 EDAARM Cn1nnc(-c2ccc(NC(=O)Cc3ccccc3C(=O)[O-])cc2)n1 ZINC000071285158 441144151 /nfs/dbraw/zinc/14/41/51/441144151.db2.gz SPMCYBOCHUSGIK-UHFFFAOYSA-N -1 0 337.339 1.757 50 0 EDAARM O=C(c1ccc(Cl)s1)N1CCc2nc3cc[n-]n3c(=O)c2C1 ZINC000102990547 441174023 /nfs/dbraw/zinc/17/40/23/441174023.db2.gz VWJXBTBWEKPTFS-UHFFFAOYSA-N -1 0 334.788 1.936 50 0 EDAARM Cc1nn(C)c2ncc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc12 ZINC000058341436 441181563 /nfs/dbraw/zinc/18/15/63/441181563.db2.gz XJSLZUQEOHMLNT-UHFFFAOYSA-N -1 0 346.368 1.776 50 0 EDAARM O=C(Nc1nnn[n-]1)c1ccn(-c2cccc(Br)c2)n1 ZINC000071883652 441184028 /nfs/dbraw/zinc/18/40/28/441184028.db2.gz IIGONKJJSARUQP-UHFFFAOYSA-N -1 0 334.137 1.400 50 0 EDAARM CC[C@H]1CCCCN1C(=O)Cn1cnc2oc(C)c(C(=O)[O-])c2c1=O ZINC000013055965 441152038 /nfs/dbraw/zinc/15/20/38/441152038.db2.gz JYKPRYVDZPBZKK-NSHDSACASA-N -1 0 347.371 1.787 50 0 EDAARM COC(=O)c1sc(Cl)cc1S(=O)(=O)[N-]c1ccccn1 ZINC000020134864 441262594 /nfs/dbraw/zinc/26/25/94/441262594.db2.gz ZGUBMSRYBHXZTK-UHFFFAOYSA-N -1 0 332.790 2.384 50 0 EDAARM CCn1c([O-])c([C@H]2c3[nH]c4ccccc4c3CCN2C)c(=O)[nH]c1=O ZINC000020757601 441265562 /nfs/dbraw/zinc/26/55/62/441265562.db2.gz KUSYTUNNRNQHIT-HNNXBMFYSA-N -1 0 340.383 1.321 50 0 EDAARM Cc1nc2cc(=O)[n-]n2c(C)c1CC(=O)N(C)CCC(F)(F)F ZINC000065552516 441457298 /nfs/dbraw/zinc/45/72/98/441457298.db2.gz GROWYOLVEUNEQP-UHFFFAOYSA-N -1 0 330.310 1.593 50 0 EDAARM Cc1n[nH]c(=O)c2cc(S(=O)(=O)[N-]c3ccc(Cl)cc3)cn21 ZINC000075536541 441531241 /nfs/dbraw/zinc/53/12/41/441531241.db2.gz UEZINGPGIPHYOI-UHFFFAOYSA-N -1 0 338.776 1.785 50 0 EDAARM CCOC(=O)c1c(N)n(CCC(=O)[O-])c2nc3ccccc3nc21 ZINC000031807889 441538624 /nfs/dbraw/zinc/53/86/24/441538624.db2.gz AWEHWQRBLPANOA-UHFFFAOYSA-N -1 0 328.328 1.818 50 0 EDAARM O=C([O-])[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1c1cccnc1 ZINC000091380786 441698542 /nfs/dbraw/zinc/69/85/42/441698542.db2.gz AZUCPKUJILUOJM-UONOGXRCSA-N -1 0 340.335 1.751 50 0 EDAARM Cc1nn(C)c(C)c1C[C@@H](C)C(=O)NCc1nc(C(=O)[O-])cs1 ZINC000124303288 441916254 /nfs/dbraw/zinc/91/62/54/441916254.db2.gz SUTVUNUVSSTFON-MRVPVSSYSA-N -1 0 336.417 1.687 50 0 EDAARM CCn1nc(C)c(C(=O)[N-]S(=O)(=O)Cc2ccc(F)cc2)c1C ZINC000069558953 441973787 /nfs/dbraw/zinc/97/37/87/441973787.db2.gz FVPFQSWECINIDR-UHFFFAOYSA-N -1 0 339.392 1.919 50 0 EDAARM Cc1c(C(=O)NCC(=O)NCCC(=O)[O-])[nH]c2c1c(C)ccc2C ZINC000095525671 441948687 /nfs/dbraw/zinc/94/86/87/441948687.db2.gz UDGFAYDVGWGMCQ-UHFFFAOYSA-N -1 0 331.372 1.414 50 0 EDAARM Cc1nnc2n1CCN(C(=O)c1nn(-c3ccccc3F)cc1[O-])C2 ZINC000069489687 441950177 /nfs/dbraw/zinc/95/01/77/441950177.db2.gz ZXUILOCNQZOFTG-UHFFFAOYSA-N -1 0 342.334 1.273 50 0 EDAARM Cc1ccc(S(C)(=O)=O)cc1C(=O)NC1(C(=O)[O-])CCCCC1 ZINC000095948853 441956978 /nfs/dbraw/zinc/95/69/78/441956978.db2.gz XKKXHBDSNQJYNP-UHFFFAOYSA-N -1 0 339.413 1.916 50 0 EDAARM Cc1ccc(C2(C(=O)N3Cc4nc[nH]c4C[C@@H]3C(=O)[O-])CC2)cc1 ZINC000096132554 442041329 /nfs/dbraw/zinc/04/13/29/442041329.db2.gz FFZMHIHLCRMOND-OAHLLOKOSA-N -1 0 325.368 1.788 50 0 EDAARM O=C([O-])[C@@H]1CC(=O)N(CCCN2CCOCC2)[C@@H]1c1ccsc1 ZINC000069819629 442050593 /nfs/dbraw/zinc/05/05/93/442050593.db2.gz HTQUCFZYOGSTTI-UKRRQHHQSA-N -1 0 338.429 1.445 50 0 EDAARM O=C([N-]S(=O)(=O)c1cnccn1)[C@H]1C[C@@H]1c1ccccc1Cl ZINC000152463100 442215690 /nfs/dbraw/zinc/21/56/90/442215690.db2.gz OPOWKGKDLJVUCU-MNOVXSKESA-N -1 0 337.788 1.739 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)CN2CCOc3ccc(Cl)cc32)C1 ZINC000128526013 442272561 /nfs/dbraw/zinc/27/25/61/442272561.db2.gz GSTDDWLWLOLZMS-LLVKDONJSA-N -1 0 338.791 1.862 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000128566648 442275007 /nfs/dbraw/zinc/27/50/07/442275007.db2.gz WVMZFDUVDBORED-LBPRGKRZSA-N -1 0 331.347 1.877 50 0 EDAARM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCO[C@@H](C(=O)[O-])C1 ZINC000178280338 442421045 /nfs/dbraw/zinc/42/10/45/442421045.db2.gz ICCFTTNFKQOVLH-MRXNPFEDSA-N -1 0 326.352 1.983 50 0 EDAARM Cc1nc(-c2ccccc2)ccc1C(=O)N1CCO[C@H](C(=O)[O-])C1 ZINC000178280323 442421169 /nfs/dbraw/zinc/42/11/69/442421169.db2.gz ICCFTTNFKQOVLH-INIZCTEOSA-N -1 0 326.352 1.983 50 0 EDAARM Cc1[nH]c(C(=O)N[C@@H](CC(C)C)c2ncnn2C)c(C)c1C(=O)[O-] ZINC000252501509 443034605 /nfs/dbraw/zinc/03/46/05/443034605.db2.gz UGRNTVMQTPNFOW-NSHDSACASA-N -1 0 333.392 1.975 50 0 EDAARM O=C([O-])[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@H]2C(=O)N2CCCC2)C1 ZINC000252516599 443039958 /nfs/dbraw/zinc/03/99/58/443039958.db2.gz UYOSVXNSPWHFDQ-KFWWJZLASA-N -1 0 336.432 1.738 50 0 EDAARM CCn1cc(S(=O)(=O)[N-]c2cncc(N3CCCC3)n2)nc1C ZINC000253419042 443062736 /nfs/dbraw/zinc/06/27/36/443062736.db2.gz QKDSVNUAEHNYQR-UHFFFAOYSA-N -1 0 336.421 1.402 50 0 EDAARM Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)[C@H]1C[C@@H]1C(=O)[O-] ZINC000253429757 443068738 /nfs/dbraw/zinc/06/87/38/443068738.db2.gz IFBYQQDNMSOEHN-GJZGRUSLSA-N -1 0 327.384 1.885 50 0 EDAARM O=C([O-])c1ccc(/C=C\C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC000255548331 443102435 /nfs/dbraw/zinc/10/24/35/443102435.db2.gz QWLOJESHCOILSI-GTBONMDNSA-N -1 0 326.356 1.853 50 0 EDAARM C/C=C/c1ccc(OCC(=O)N2CCO[C@@H](CC(=O)[O-])C2)c(OC)c1 ZINC000269032863 443178254 /nfs/dbraw/zinc/17/82/54/443178254.db2.gz NGFJACINJMSVFG-XGACYXMMSA-N -1 0 349.383 1.809 50 0 EDAARM C/C=C/c1ccc(OCC(=O)N2CCO[C@H](CC(=O)[O-])C2)c(OC)c1 ZINC000269032862 443178584 /nfs/dbraw/zinc/17/85/84/443178584.db2.gz NGFJACINJMSVFG-RDFMZFSFSA-N -1 0 349.383 1.809 50 0 EDAARM C[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])S(=O)(=O)c1ccc(F)cc1 ZINC000262124908 443183774 /nfs/dbraw/zinc/18/37/74/443183774.db2.gz MXGOBDWHMSARMP-ZWNOBZJWSA-N -1 0 343.376 1.454 50 0 EDAARM O=C([O-])C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)CCO1 ZINC000238196517 443196161 /nfs/dbraw/zinc/19/61/61/443196161.db2.gz DJMKDORUCKTTMG-NQBHXWOUSA-N -1 0 325.311 1.770 50 0 EDAARM O=C([O-])[C@H]1CCN(C(=O)COc2ccc(N3CCCC3=O)cc2)C1 ZINC000269177552 443223409 /nfs/dbraw/zinc/22/34/09/443223409.db2.gz KGKDULXTZJVEOH-LBPRGKRZSA-N -1 0 332.356 1.125 50 0 EDAARM C[C@H](OC[C@H]1CCCO1)C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-] ZINC000262561546 443200838 /nfs/dbraw/zinc/20/08/38/443200838.db2.gz YPAUHFUNOKPJGC-JGGQBBKZSA-N -1 0 333.384 1.781 50 0 EDAARM Cc1oc(CNC(=O)c2ccc3c(c2)NC(=O)CO3)cc1C(=O)[O-] ZINC000299744895 444132124 /nfs/dbraw/zinc/13/21/24/444132124.db2.gz VGGYVSVTVBTOJD-UHFFFAOYSA-N -1 0 330.296 1.547 50 0 EDAARM O=C([O-])C[C@H](NC(=O)[C@@H]1CCCS1(=O)=O)c1ccc(F)cc1 ZINC000581439668 322178366 /nfs/dbraw/zinc/17/83/66/322178366.db2.gz CXQPLEJMRMDSAE-RYUDHWBXSA-N -1 0 329.349 1.035 50 0 EDAARM Cn1nc(C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)[O-])cc1-c1ccccc1 ZINC000426666963 447488169 /nfs/dbraw/zinc/48/81/69/447488169.db2.gz IKYSIGJCOUMEIO-AWEZNQCLSA-N -1 0 339.355 1.236 50 0 EDAARM Cc1cc2c(cc1C)O[C@H](C(=O)N(CC(=O)[O-])C1CCOCC1)C2 ZINC000531747759 448136605 /nfs/dbraw/zinc/13/66/05/448136605.db2.gz RAKNCRKAYZSMMA-INIZCTEOSA-N -1 0 333.384 1.699 50 0 EDAARM COc1cc(/C=C\C(=O)N2CCC[C@@H]2C(=O)[O-])cc2c1OCCO2 ZINC000492321182 448205537 /nfs/dbraw/zinc/20/55/37/448205537.db2.gz PVYUHVHMCPMBOP-QMAVJUDZSA-N -1 0 333.340 1.555 50 0 EDAARM CO[N-]C(=O)Cn1c(CNC(=O)OC(C)(C)C)nc2ccccc21 ZINC000585134344 448704346 /nfs/dbraw/zinc/70/43/46/448704346.db2.gz OUGHRXHIDDWUHD-UHFFFAOYSA-N -1 0 334.376 1.739 50 0 EDAARM COc1cccc(C[C@@H](NC(=O)[C@@H]2Cc3ccccc3O2)C(=O)[O-])c1 ZINC000630243195 451073786 /nfs/dbraw/zinc/07/37/86/451073786.db2.gz MTQHIXVUIXJKIQ-WBVHZDCISA-N -1 0 341.363 1.811 50 0 EDAARM C[C@@H](NC(=O)Nc1cc(N(C)C)ncn1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653544318 452005996 /nfs/dbraw/zinc/00/59/96/452005996.db2.gz UBDRCPIOGAHIFH-OUAUKWLOSA-N -1 0 335.408 1.800 50 0 EDAARM Cc1cc(OCC(=O)[O-])ccc1NC(=O)[C@H]1CCc2ncncc2C1 ZINC000647601894 452342543 /nfs/dbraw/zinc/34/25/43/452342543.db2.gz SLYNKSZIOFQWHR-LBPRGKRZSA-N -1 0 341.367 1.992 50 0 EDAARM Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H](Cc1ccncc1)C(=O)[O-] ZINC000655600920 452422451 /nfs/dbraw/zinc/42/24/51/452422451.db2.gz MAHPRQBPMXRASK-HZMBPMFUSA-N -1 0 330.388 1.348 50 0 EDAARM CC(=O)Nc1ccc(C)c(C(=O)NC2(CC(=O)[O-])CCOCC2)c1 ZINC000663122660 453693766 /nfs/dbraw/zinc/69/37/66/453693766.db2.gz NJKIAMYGGILYBX-UHFFFAOYSA-N -1 0 334.372 1.707 50 0 EDAARM Cc1nc([N-]S(=O)(=O)c2cc(C)cc(Br)c2)n(C)n1 ZINC000170602278 534494795 /nfs/dbraw/zinc/49/47/95/534494795.db2.gz DPMWMOBYOVWPRD-UHFFFAOYSA-N -1 0 345.222 1.995 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)[C@H]2CCCCN2C(=O)c2ccco2)C1 ZINC000136143902 534535566 /nfs/dbraw/zinc/53/55/66/534535566.db2.gz RUKBYBDKWKMCPL-QWHCGFSZSA-N -1 0 334.372 1.598 50 0 EDAARM CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C(=O)[O-])c1 ZINC000262651214 534724117 /nfs/dbraw/zinc/72/41/17/534724117.db2.gz RYGSQOINOOAWPN-VXGBXAGGSA-N -1 0 340.401 1.423 50 0 EDAARM COc1cccc(-c2noc([C@H](C)NC(=O)[C@@H]3C[C@H]3C(=O)[O-])n2)c1 ZINC000262445686 525739665 /nfs/dbraw/zinc/73/96/65/525739665.db2.gz VKEKSYKJXLQQTG-XXILOJSOSA-N -1 0 331.328 1.643 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000268978443 526332877 /nfs/dbraw/zinc/33/28/77/526332877.db2.gz LPNNUMHHTSENSJ-CQSZACIVSA-N -1 0 344.367 1.976 50 0 EDAARM CC(C)n1ncc(C(=O)N2CCO[C@@H](CC(=O)[O-])C2)c1C(F)(F)F ZINC000236726768 535127083 /nfs/dbraw/zinc/12/70/83/535127083.db2.gz QCLOZMBRSVBKLT-VIFPVBQESA-N -1 0 349.309 1.799 50 0 EDAARM C[C@H](O)[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C1 ZINC000585121828 605050687 /nfs/dbraw/zinc/05/06/87/605050687.db2.gz BGTNRIMIRSDVTA-ONGXEEELSA-N -1 0 347.820 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Cc1ccc2[nH]c(CCC(=O)N[C@H](C)c3n[nH]c(=O)[n-]3)nc2c1C ZINC000217204192 241241711 /nfs/dbraw/zinc/24/17/11/241241711.db2.gz ZKYKFTBVZZWASD-SNVBAGLBSA-N -1 0 328.376 1.401 50 0 EDAARM O=S(=O)([N-]CC[C@@H](O)C1CCOCC1)c1c(F)cccc1F ZINC000217923981 241282498 /nfs/dbraw/zinc/28/24/98/241282498.db2.gz CABOLPVCLRNGFM-CYBMUJFWSA-N -1 0 335.372 1.421 50 0 EDAARM Cc1cc(OC(C)(C)C(=O)NCc2n[nH]c(=O)[n-]2)cc(C)c1Cl ZINC000217899232 241283051 /nfs/dbraw/zinc/28/30/51/241283051.db2.gz QSDNCJYSGCJBJQ-UHFFFAOYSA-N -1 0 338.795 1.842 50 0 EDAARM O=S(=O)([N-]CC1(O)Cc2ccccc2C1)c1c(F)cccc1F ZINC000225716305 242000248 /nfs/dbraw/zinc/00/02/48/242000248.db2.gz ARXGYGWFIDRVTD-UHFFFAOYSA-N -1 0 339.363 1.773 50 0 EDAARM COC(=O)COc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1C ZINC000226746504 242110821 /nfs/dbraw/zinc/11/08/21/242110821.db2.gz CRQIBJMFXVNKNB-UHFFFAOYSA-N -1 0 336.369 1.743 50 0 EDAARM O=C([O-])C1(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)CCC1 ZINC000237958682 242871603 /nfs/dbraw/zinc/87/16/03/242871603.db2.gz 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COc1ccc(S(=O)(=O)N2CCc3cccc(C(=O)[O-])c32)cn1 ZINC000350873500 295196110 /nfs/dbraw/zinc/19/61/10/295196110.db2.gz ZFBQXGKZADBDAQ-UHFFFAOYSA-N -1 0 334.353 1.540 50 0 EDAARM Cc1nc2sc([C@H](c3ccco3)N3CCN(C)CC3)c([O-])n2n1 ZINC000022459029 302685577 /nfs/dbraw/zinc/68/55/77/302685577.db2.gz MICYWOFHCRGNFN-LBPRGKRZSA-N -1 0 333.417 1.735 50 0 EDAARM Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(C(C)C)cc(C(=O)[O-])c12 ZINC000008986128 302806410 /nfs/dbraw/zinc/80/64/10/302806410.db2.gz MUFBSSSLHHZERP-JTQLQIEISA-N -1 0 337.401 1.921 50 0 EDAARM COc1cc2oc(=O)c(CC(=O)NCC(=O)[O-])c(C)c2cc1Cl ZINC000002117638 440857591 /nfs/dbraw/zinc/85/75/91/440857591.db2.gz GHDJOENZXKNYSS-UHFFFAOYSA-N -1 0 339.731 1.507 50 0 EDAARM O=C([O-])CN1C(=O)C(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O ZINC000002243913 440858140 /nfs/dbraw/zinc/85/81/40/440858140.db2.gz ORMFFSSNUMDTBO-UHFFFAOYSA-N -1 0 330.218 1.081 50 0 EDAARM COC(=O)[C@@](O)(c1c(C)[n-]n(-c2ccccc2)c1=O)C(F)(F)F ZINC000002504005 440864942 /nfs/dbraw/zinc/86/49/42/440864942.db2.gz BYYFFXHWQYMWGO-ZDUSSCGKSA-N -1 0 330.262 1.397 50 0 EDAARM CCc1[n-]n(C)c(=O)c1C=C1NC(=O)N(Cc2ccc(F)cc2)C1=O ZINC000004354592 440917162 /nfs/dbraw/zinc/91/71/62/440917162.db2.gz FHDLOEYNIJYMJO-ZSOIEALJSA-N -1 0 344.346 1.920 50 0 EDAARM Cc1[nH]c2ccccc2c1C(=O)[N-]S(=O)(=O)NCc1ccco1 ZINC000006755167 441012317 /nfs/dbraw/zinc/01/23/17/441012317.db2.gz HIBZSMYPKVJNIQ-UHFFFAOYSA-N -1 0 333.369 1.834 50 0 EDAARM COc1ccc([N-]S(=O)(=O)c2csc(C(N)=O)c2)cc1OC ZINC000006859460 441019877 /nfs/dbraw/zinc/01/98/77/441019877.db2.gz VEBZXXYRPNTEIF-UHFFFAOYSA-N -1 0 342.398 1.665 50 0 EDAARM O=C([O-])c1nccnc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 ZINC000071286350 441144033 /nfs/dbraw/zinc/14/40/33/441144033.db2.gz IJDACCHGAWXMLX-UHFFFAOYSA-N -1 0 326.312 1.319 50 0 EDAARM COCCOc1ccc([N-]S(=O)(=O)c2ccccc2OC)cn1 ZINC000071859408 441170750 /nfs/dbraw/zinc/17/07/50/441170750.db2.gz WRCJJDJCKSYDHP-UHFFFAOYSA-N -1 0 338.385 1.916 50 0 EDAARM C[C@H](CC(=O)[O-])CC(=O)Nc1ccc(N2CCOCC2)c2nonc21 ZINC000017072355 441237019 /nfs/dbraw/zinc/23/70/19/441237019.db2.gz SDYIMVIWPRZGHL-JTQLQIEISA-N -1 0 348.359 1.499 50 0 EDAARM O=S(=O)([N-]c1ccc(Cl)nc1)c1cccc(-n2cnnn2)c1 ZINC000065513346 441448612 /nfs/dbraw/zinc/44/86/12/441448612.db2.gz XZYZTFNYUGHBLL-UHFFFAOYSA-N -1 0 336.764 1.512 50 0 EDAARM COc1ccc(OC)c(CNC(=O)Cc2c(C(=O)[O-])c(C)cn2C)c1 ZINC000064980572 441399475 /nfs/dbraw/zinc/39/94/75/441399475.db2.gz RHKMQMHHAUFQMS-UHFFFAOYSA-N -1 0 346.383 1.908 50 0 EDAARM Cc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[n-]2)c(=O)[nH]1 ZINC000075118606 441497374 /nfs/dbraw/zinc/49/73/74/441497374.db2.gz HDLVQUBDDGHWGU-UHFFFAOYSA-N -1 0 330.369 1.254 50 0 EDAARM CC(=O)O[C@H](C)[C@@H](NC(=O)OCC(Cl)(Cl)Cl)C(=O)[O-] ZINC000075284320 441515707 /nfs/dbraw/zinc/51/57/07/441515707.db2.gz PZPSJALSKPYVPD-INEUFUBQSA-N -1 0 336.555 1.488 50 0 EDAARM CC(C)OC(=O)c1ccc(NC(=O)c2nccnc2C(=O)[O-])cc1 ZINC000032075053 441545552 /nfs/dbraw/zinc/54/55/52/441545552.db2.gz PCONHHGKOYQXDZ-UHFFFAOYSA-N -1 0 329.312 1.992 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)COc1ccc(Br)cc1 ZINC000088373567 441505753 /nfs/dbraw/zinc/50/57/53/441505753.db2.gz MNGYFENWMPPOIB-LLVKDONJSA-N -1 0 344.161 1.140 50 0 EDAARM O=C([O-])[C@@H]1COCCN1C(=O)c1cc(F)cc(Br)c1 ZINC000088374028 441506284 /nfs/dbraw/zinc/50/62/84/441506284.db2.gz BPWBFFYHHRYSNU-JTQLQIEISA-N -1 0 332.125 1.514 50 0 EDAARM Cc1c(C(=O)[O-])sc2ncnc(N3CC[C@H](N4CCOCC4)C3)c12 ZINC000067851778 441688520 /nfs/dbraw/zinc/68/85/20/441688520.db2.gz CVTQUHXCBUTSDI-NSHDSACASA-N -1 0 348.428 1.609 50 0 EDAARM Cc1noc(C[N-]S(=O)(=O)c2ccc(Br)s2)n1 ZINC000042412963 441736041 /nfs/dbraw/zinc/73/60/41/441736041.db2.gz QEPKCSDXHUNJJQ-UHFFFAOYSA-N -1 0 338.208 1.681 50 0 EDAARM Cc1noc(C)c1S(=O)(=O)[N-]C(=O)COc1c(C)cccc1C ZINC000042291441 441721136 /nfs/dbraw/zinc/72/11/36/441721136.db2.gz OSSPOTDGDRWPNI-UHFFFAOYSA-N -1 0 338.385 1.792 50 0 EDAARM Cc1ccc(S(=O)(=O)N2CCN(CCCC(=O)[O-])CC2)cc1 ZINC000116342879 441814834 /nfs/dbraw/zinc/81/48/34/441814834.db2.gz IZEPUCUYQUFDML-UHFFFAOYSA-N -1 0 326.418 1.166 50 0 EDAARM O=C([O-])CCC1CCN(C(=O)C2CCN(c3ncccn3)CC2)CC1 ZINC000095991841 441973708 /nfs/dbraw/zinc/97/37/08/441973708.db2.gz UPNZBWOJXAYXIA-UHFFFAOYSA-N -1 0 346.431 1.796 50 0 EDAARM Cc1sc(C(N)=O)cc1S(=O)(=O)[N-]c1ncc(C(C)C)s1 ZINC000095466415 441933138 /nfs/dbraw/zinc/93/31/38/441933138.db2.gz VKASTJWWGNSXPF-UHFFFAOYSA-N -1 0 345.471 2.536 50 0 EDAARM Cc1noc(C)c1CN1C(=O)CC[C@H](C(=O)[O-])[C@H]1c1cnn(C)c1 ZINC000069492172 441950929 /nfs/dbraw/zinc/95/09/29/441950929.db2.gz XVVJGRMQRXXNAL-SWLSCSKDSA-N -1 0 332.360 1.589 50 0 EDAARM COc1ccc(CCN2C(=O)C[C@H](C(=O)[O-])[C@H]2c2cnn(C)c2)cc1 ZINC000069491994 441951094 /nfs/dbraw/zinc/95/10/94/441951094.db2.gz JZGNNELYKBUJLQ-DOTOQJQBSA-N -1 0 343.383 1.646 50 0 EDAARM COc1ccc(C(=O)N(CCC(=O)[O-])C2CCOCC2)c(OC)c1 ZINC000095970185 441964490 /nfs/dbraw/zinc/96/44/90/441964490.db2.gz ZZDCPLWMPVVHLV-UHFFFAOYSA-N -1 0 337.372 1.800 50 0 EDAARM NC(=O)CN(Cc1ccccc1)C(=O)c1cc(F)c(F)c([O-])c1F ZINC000097374641 442192202 /nfs/dbraw/zinc/19/22/02/442192202.db2.gz FOFDWOXAOHORRY-UHFFFAOYSA-N -1 0 338.285 1.937 50 0 EDAARM O=C(C[C@H]1OCCc2ccccc21)[N-]S(=O)(=O)Cc1ccon1 ZINC000170649755 442241503 /nfs/dbraw/zinc/24/15/03/442241503.db2.gz VPXBRDOFHGSGJO-CQSZACIVSA-N -1 0 336.369 1.325 50 0 EDAARM C[C@@H](CNC(=O)Cc1cc(Br)ccc1F)c1nnn[n-]1 ZINC000153474810 442284781 /nfs/dbraw/zinc/28/47/81/442284781.db2.gz GEXTZELJQMFCPK-ZETCQYMHSA-N -1 0 342.172 1.564 50 0 EDAARM O=C([O-])[C@@H]1CCC[C@@H](C(=O)NC2CCN(C(=O)c3ccco3)CC2)C1 ZINC000179951941 442522367 /nfs/dbraw/zinc/52/23/67/442522367.db2.gz DBUFCHAPDSODHQ-CHWSQXEVSA-N -1 0 348.399 1.891 50 0 EDAARM Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)N2CCC[C@@H](C(=O)[O-])C2)cc1 ZINC000136136835 442652709 /nfs/dbraw/zinc/65/27/09/442652709.db2.gz BNZROGMQBKBKJG-HZPDHXFCSA-N -1 0 344.411 1.809 50 0 EDAARM Cc1cccc(S(=O)(=O)[N-]c2ccc(-n3nn[n-]c3=O)cc2)c1F ZINC000195505589 443025842 /nfs/dbraw/zinc/02/58/42/443025842.db2.gz HIIYSWZTEHUZHG-UHFFFAOYSA-N -1 0 349.347 1.204 50 0 EDAARM COC(=O)[C@H](C)[C@@H](C)S(=O)(=O)[N-]C(=O)[C@@H](C)c1cccs1 ZINC000252492717 443032603 /nfs/dbraw/zinc/03/26/03/443032603.db2.gz MTQRVONNUQEGSV-KXUCPTDWSA-N -1 0 333.431 1.495 50 0 EDAARM C[C@H](CNC(=O)c1ncoc1-c1ccc2c(c1)OCCO2)C(=O)[O-] ZINC000268903080 443142303 /nfs/dbraw/zinc/14/23/03/443142303.db2.gz HQBHOYSJUREYCK-SECBINFHSA-N -1 0 332.312 1.563 50 0 EDAARM O=C([O-])c1csc(CNC(=O)c2ccc(N3CCCC3=O)cc2)n1 ZINC000268911156 443145326 /nfs/dbraw/zinc/14/53/26/443145326.db2.gz VRLQSSGUBLBLFK-UHFFFAOYSA-N -1 0 345.380 1.898 50 0 EDAARM Cc1nc(C(F)(F)F)ccc1C(=O)N1CCO[C@H](CC(=O)[O-])C1 ZINC000237565332 443176672 /nfs/dbraw/zinc/17/66/72/443176672.db2.gz VJPIPYUAURGNQC-SECBINFHSA-N -1 0 332.278 1.725 50 0 EDAARM Cc1cc(=O)c(C(=O)N(CC(=O)[O-])C2CC2)nn1-c1ccccc1F ZINC000237645531 443178431 /nfs/dbraw/zinc/17/84/31/443178431.db2.gz KTMCQIOUKOACHF-UHFFFAOYSA-N -1 0 345.330 1.369 50 0 EDAARM O=C([O-])[C@H]1CCCN(C(=O)CCc2nnc(-c3ccccc3)o2)C1 ZINC000262349687 443191123 /nfs/dbraw/zinc/19/11/23/443191123.db2.gz FOWFZWISZSZXOE-ZDUSSCGKSA-N -1 0 329.356 1.992 50 0 EDAARM O=C([O-])[C@@H]1CCCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000238067841 443193769 /nfs/dbraw/zinc/19/37/69/443193769.db2.gz NVHYVJBCSAHUAU-CVEARBPZSA-N -1 0 332.400 1.353 50 0 EDAARM COc1ccc(Br)cc1CC(=O)N1CC[C@H](C(=O)[O-])C1 ZINC000237114482 443159050 /nfs/dbraw/zinc/15/90/50/443159050.db2.gz FQQFCFQOUXLMIR-VIFPVBQESA-N -1 0 342.189 1.933 50 0 EDAARM CCn1c(=O)[nH]c2cc(C(=O)N3CCCC[C@H]3C(=O)[O-])ccc2c1=O ZINC000268958434 443159267 /nfs/dbraw/zinc/15/92/67/443159267.db2.gz ZSHPOUVEZJWQFN-ZDUSSCGKSA-N -1 0 345.355 1.201 50 0 EDAARM Cc1oc(-c2ccsc2)nc1CC(=O)N1CCOC[C@H]1C(=O)[O-] ZINC000268968969 443161732 /nfs/dbraw/zinc/16/17/32/443161732.db2.gz FYJKMOWJZZILCV-LBPRGKRZSA-N -1 0 336.369 1.566 50 0 EDAARM CC(C)CS(=O)(=O)CC(=O)N1[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-] ZINC000262484327 443198064 /nfs/dbraw/zinc/19/80/64/443198064.db2.gz YKDZJAZZYPEQDZ-UPJWGTAASA-N -1 0 331.434 1.302 50 0 EDAARM CCc1nnc(CN(C)CC(=O)Nc2nc(C)c(C(=O)[O-])s2)o1 ZINC000244899440 443216577 /nfs/dbraw/zinc/21/65/77/443216577.db2.gz ZJZHEDIWUHKEAD-UHFFFAOYSA-N -1 0 339.377 1.166 50 0 EDAARM O=C([O-])[C@H]1COCCN1C(=O)/C=C\c1c(Cl)nc2ccccn21 ZINC000492133963 320376275 /nfs/dbraw/zinc/37/62/75/320376275.db2.gz CGUZALGSYBITRY-DOGVGXBMSA-N -1 0 335.747 1.313 50 0 EDAARM NC(=O)NCc1ccc(C(=O)N2CCC[C@@H](CCC(=O)[O-])C2)cc1 ZINC000299740988 444129379 /nfs/dbraw/zinc/12/93/79/444129379.db2.gz CPMMBOWZDKXNDD-ZDUSSCGKSA-N -1 0 333.388 1.572 50 0 EDAARM O=C([O-])[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(-n2cnnn2)cc1 ZINC000299741932 444130273 /nfs/dbraw/zinc/13/02/73/444130273.db2.gz HVBZNLLOBXKPJM-CFVMTHIKSA-N -1 0 341.371 1.520 50 0 EDAARM O=C([O-])[C@H]1CCCN1C(=O)CCCN1C(=O)CCc2ccccc21 ZINC000299743225 444131076 /nfs/dbraw/zinc/13/10/76/444131076.db2.gz KDUCROWROMIUCA-OAHLLOKOSA-N -1 0 330.384 1.822 50 0 EDAARM CC(=O)N1CSC[C@H]1C(=O)N[C@@H](CCC(=O)[O-])c1ccccc1 ZINC000299747940 444134360 /nfs/dbraw/zinc/13/43/60/444134360.db2.gz FMXFMZDSEMFRSO-KBPBESRZSA-N -1 0 336.413 1.630 50 0 EDAARM Cc1cnc(N)c(S(=O)(=O)N(C)c2cccc(CCC(=O)[O-])c2)c1 ZINC000390833695 325732906 /nfs/dbraw/zinc/73/29/06/325732906.db2.gz LOQPMZHQQXIRKF-UHFFFAOYSA-N -1 0 349.412 1.815 50 0 EDAARM O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CCn2ccnc2C1 ZINC000623177919 450435298 /nfs/dbraw/zinc/43/52/98/450435298.db2.gz WRHMFZXHNOPCMW-BBRMVZONSA-N -1 0 325.368 1.656 50 0 EDAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)CCc3cn[nH]c3)C2)n1 ZINC000426503427 447460573 /nfs/dbraw/zinc/46/05/73/447460573.db2.gz FQHGVOAZIRDWKK-CYBMUJFWSA-N -1 0 331.376 1.030 50 0 EDAARM CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)[O-] ZINC000426588833 447476737 /nfs/dbraw/zinc/47/67/37/447476737.db2.gz DFTYLUSMCBUEMK-LBPRGKRZSA-N -1 0 348.407 1.268 50 0 EDAARM O=C([O-])Cn1ccc([C@@H]2CCCN(C(=O)c3ncccc3O)C2)n1 ZINC000426580991 447475795 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